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]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000078970047 185137452 /nfs/dbraw/zinc/13/74/52/185137452.db2.gz VNDQYQZCTNGNQR-LLVKDONJSA-N 1 0 322.311 4.047 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000186747567 200003134 /nfs/dbraw/zinc/00/31/34/200003134.db2.gz GLDQVRRFACEDDJ-WFASDCNBSA-N 1 0 319.430 4.286 20 5 DIBDRO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000294581910 131846414 /nfs/dbraw/zinc/84/64/14/131846414.db2.gz MREJPUMADKEWLQ-AWEZNQCLSA-N 1 0 313.401 4.272 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000297459651 132016079 /nfs/dbraw/zinc/01/60/79/132016079.db2.gz XRUCKNBQRVXUAU-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000119648631 132135241 /nfs/dbraw/zinc/13/52/41/132135241.db2.gz CAFZSWVLEJLNOE-SCLBCKFNSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000120786086 132151021 /nfs/dbraw/zinc/15/10/21/132151021.db2.gz YRTSIVFSZRFKJZ-WFASDCNBSA-N 1 0 300.358 4.224 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000163503896 332807372 /nfs/dbraw/zinc/80/73/72/332807372.db2.gz RTOVSCPIHMZEHH-XIKOKIGWSA-N 1 0 314.360 4.380 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000172920229 332820196 /nfs/dbraw/zinc/82/01/96/332820196.db2.gz JMSDRYVWHJAVQE-LRDDRELGSA-N 1 0 314.410 4.483 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000537948991 331552442 /nfs/dbraw/zinc/55/24/42/331552442.db2.gz NYEAQBYAASMWTD-OAHLLOKOSA-N 1 0 312.413 4.093 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449270335 331986889 /nfs/dbraw/zinc/98/68/89/331986889.db2.gz QFEFKWCWJSPSPG-YPMHNXCESA-N 1 0 318.339 4.092 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000518272554 332004164 /nfs/dbraw/zinc/00/41/64/332004164.db2.gz KIMJFZSFRWVWJP-MRXNPFEDSA-N 1 0 302.399 4.206 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000128203651 332010610 /nfs/dbraw/zinc/01/06/10/332010610.db2.gz QLHGIPJIWZEYDA-GFCCVEGCSA-N 1 0 322.817 4.477 20 5 DIBDRO CC(C)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000559326785 332026038 /nfs/dbraw/zinc/02/60/38/332026038.db2.gz BOGSGDMUINEEHP-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000518474392 332061339 /nfs/dbraw/zinc/06/13/39/332061339.db2.gz LJAPKDVKRHWXME-CYBMUJFWSA-N 1 0 302.349 4.317 20 5 DIBDRO CC(F)(F)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449351627 332061440 /nfs/dbraw/zinc/06/14/40/332061440.db2.gz QOQQKXIOWPMTSI-UHFFFAOYSA-N 1 0 324.327 4.380 20 5 DIBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000518507861 332070491 /nfs/dbraw/zinc/07/04/91/332070491.db2.gz LTHVZCLPAPGBCJ-JOZWUWCOSA-N 1 0 311.385 4.086 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000317079768 332688571 /nfs/dbraw/zinc/68/85/71/332688571.db2.gz COLQXHWUQAAAFC-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000378873048 333058164 /nfs/dbraw/zinc/05/81/64/333058164.db2.gz SPNZSJZBOMIXKX-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000314098326 333087322 /nfs/dbraw/zinc/08/73/22/333087322.db2.gz IJINVOPUPLQTSS-KRWDZBQOSA-N 1 0 302.349 4.017 20 5 DIBDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000522716712 333175149 /nfs/dbraw/zinc/17/51/49/333175149.db2.gz QFKKGQYJFLHEJV-GJZGRUSLSA-N 1 0 322.474 4.482 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502603439 333303820 /nfs/dbraw/zinc/30/38/20/333303820.db2.gz WRKSKBRAWCQTBA-SWLSCSKDSA-N 1 0 312.360 4.461 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526142 333319778 /nfs/dbraw/zinc/31/97/78/333319778.db2.gz BYJKDBQUUXCQNG-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526143 333319969 /nfs/dbraw/zinc/31/99/69/333319969.db2.gz BYJKDBQUUXCQNG-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000531202367 333330737 /nfs/dbraw/zinc/33/07/37/333330737.db2.gz ULQRNEXDGQSTCL-WFASDCNBSA-N 1 0 302.399 4.034 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000062726358 333336140 /nfs/dbraw/zinc/33/61/40/333336140.db2.gz FRTSGCPRHFWAMS-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000062726444 333336184 /nfs/dbraw/zinc/33/61/84/333336184.db2.gz LOZXVRWHKKMPMY-GFCCVEGCSA-N 1 0 304.415 4.166 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000062726450 333336193 /nfs/dbraw/zinc/33/61/93/333336193.db2.gz MPGFKRNVCYXACD-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000122042012 333390843 /nfs/dbraw/zinc/39/08/43/333390843.db2.gz FWCAEDUXYSEFJH-GUYCJALGSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000319661410 333394120 /nfs/dbraw/zinc/39/41/20/333394120.db2.gz FSGQLCMUWHOHNH-AWEZNQCLSA-N 1 0 310.397 4.324 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000531703516 333548086 /nfs/dbraw/zinc/54/80/86/333548086.db2.gz IPIYHHSVOXZWSR-OLZOCXBDSA-N 1 0 302.349 4.188 20 5 DIBDRO Cc1ccccc1C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000571270680 333694187 /nfs/dbraw/zinc/69/41/87/333694187.db2.gz VAFDJCGKWFQZKR-FQEVSTJZSA-N 1 0 324.424 4.057 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414113932 333905698 /nfs/dbraw/zinc/90/56/98/333905698.db2.gz ZCWOEOBSUKQNHT-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414235689 333917399 /nfs/dbraw/zinc/91/73/99/333917399.db2.gz UNOCELULIWVWTG-ZDUSSCGKSA-N 1 0 313.401 4.138 20 5 DIBDRO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414223951 333924603 /nfs/dbraw/zinc/92/46/03/333924603.db2.gz GYTDQUXDIJAQCR-CYBMUJFWSA-N 1 0 313.401 4.138 20 5 DIBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000414277478 333932278 /nfs/dbraw/zinc/93/22/78/333932278.db2.gz ZKMMSQJDGGTRDW-IINYFYTJSA-N 1 0 316.323 4.150 20 5 DIBDRO CC[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414514537 334003577 /nfs/dbraw/zinc/00/35/77/334003577.db2.gz IRZQSLFOKUDCTN-PZBABLGHSA-N 1 0 316.323 4.176 20 5 DIBDRO COCC1CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000414513674 334004100 /nfs/dbraw/zinc/00/41/00/334004100.db2.gz PSFQPGCDHHEVQR-UHFFFAOYSA-N 1 0 320.433 4.013 20 5 DIBDRO C[NH2+]Cc1cccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000414860531 334132903 /nfs/dbraw/zinc/13/29/03/334132903.db2.gz CVFBCABJYMEWQG-UHFFFAOYSA-N 1 0 313.401 4.050 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000531949065 334303364 /nfs/dbraw/zinc/30/33/64/334303364.db2.gz ADNMRFYUTZGTCB-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000049129256 334315049 /nfs/dbraw/zinc/31/50/49/334315049.db2.gz PZQLHKNHGBFFAR-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO Cc1ccccc1OCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000531959582 334315803 /nfs/dbraw/zinc/31/58/03/334315803.db2.gz MDWBFBZMTDJWCS-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1ccccc1OCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000531959583 334315984 /nfs/dbraw/zinc/31/59/84/334315984.db2.gz MDWBFBZMTDJWCS-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000049155781 334322717 /nfs/dbraw/zinc/32/27/17/334322717.db2.gz KPBRSEQKCYWJBR-CHWSQXEVSA-N 1 0 304.415 4.247 20 5 DIBDRO CCO[C@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000531983857 334358580 /nfs/dbraw/zinc/35/85/80/334358580.db2.gz CKWRZYJASGLGPX-RHSMWYFYSA-N 1 0 308.422 4.005 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]CC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000535064612 334362489 /nfs/dbraw/zinc/36/24/89/334362489.db2.gz UCJHSNBBLWHVPV-LBPRGKRZSA-N 1 0 318.417 4.080 20 5 DIBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443806 334713254 /nfs/dbraw/zinc/71/32/54/334713254.db2.gz HELWVLPHRKXPGW-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CC1(C)Cc2occc2[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344089029 335216998 /nfs/dbraw/zinc/21/69/98/335216998.db2.gz LKBJYAHAZRWHDM-HNNXBMFYSA-N 1 0 314.385 4.034 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000535613760 335690917 /nfs/dbraw/zinc/69/09/17/335690917.db2.gz GPZWSGVGECKNRF-UHFFFAOYSA-N 1 0 312.360 4.386 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000532212487 335919036 /nfs/dbraw/zinc/91/90/36/335919036.db2.gz PLYGLOKFDWWPBF-CHWSQXEVSA-N 1 0 304.415 4.247 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000532213565 335919350 /nfs/dbraw/zinc/91/93/50/335919350.db2.gz BDNKTJADONHPEI-STQMWFEESA-N 1 0 302.349 4.188 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000041632243 335928592 /nfs/dbraw/zinc/92/85/92/335928592.db2.gz DKKAWCKVRSYEJZ-LBPRGKRZSA-N 1 0 304.415 4.112 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)cc1 ZINC000352768917 336234026 /nfs/dbraw/zinc/23/40/26/336234026.db2.gz JWFDNRCBIXPSEN-INIZCTEOSA-N 1 0 314.385 4.153 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000192838841 336265360 /nfs/dbraw/zinc/26/53/60/336265360.db2.gz VVQSPABOZPLRGU-DRZSPHRISA-N 1 0 316.323 4.367 20 5 DIBDRO Cc1cc(NC2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301548744 336314012 /nfs/dbraw/zinc/31/40/12/336314012.db2.gz PZGGXCDAAXPMAM-UHFFFAOYSA-N 1 0 317.433 4.112 20 5 DIBDRO Cc1nccn1-c1ccc([C@H](C)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000301564708 336315270 /nfs/dbraw/zinc/31/52/70/336315270.db2.gz VUFKKRKLYVZEAS-ZDUSSCGKSA-N 1 0 322.368 4.262 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000320887048 336382440 /nfs/dbraw/zinc/38/24/40/336382440.db2.gz YESILPDYYCJHRQ-GOSISDBHSA-N 1 0 314.360 4.017 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000389431107 336390566 /nfs/dbraw/zinc/39/05/66/336390566.db2.gz ULGQXIIRXQPBSL-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO CCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000356840901 336562784 /nfs/dbraw/zinc/56/27/84/336562784.db2.gz GKOZTIVJGPDAKF-HNNXBMFYSA-N 1 0 324.384 4.102 20 5 DIBDRO CC[C@@H]([NH2+]CC1(CCOC)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000122405463 337008032 /nfs/dbraw/zinc/00/80/32/337008032.db2.gz NWXPNXXAXSTHDT-QGZVFWFLSA-N 1 0 320.433 4.232 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(CCCO3)CC2)cc1[N+](=O)[O-] ZINC000376397318 337032557 /nfs/dbraw/zinc/03/25/57/337032557.db2.gz DKZWBOPESBUDJK-MXWWQKGMSA-N 1 0 318.417 4.046 20 5 DIBDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429262117 337156640 /nfs/dbraw/zinc/15/66/40/337156640.db2.gz DJXZQCAEOZAOBU-YOEHRIQHSA-N 1 0 320.433 4.015 20 5 DIBDRO CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181239624 337180406 /nfs/dbraw/zinc/18/04/06/337180406.db2.gz RRJKFEHWGZXMGQ-BPQIPLTHSA-N 1 0 320.433 4.087 20 5 DIBDRO CCOCCC1(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000181359544 337181510 /nfs/dbraw/zinc/18/15/10/337181510.db2.gz NJTZPOFYDBSFNG-QGZVFWFLSA-N 1 0 320.433 4.232 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)noc1C ZINC000181770946 337184540 /nfs/dbraw/zinc/18/45/40/337184540.db2.gz RIAMCWROVMHDIN-MEDUHNTESA-N 1 0 317.389 4.310 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000421872761 337657431 /nfs/dbraw/zinc/65/74/31/337657431.db2.gz GYQAXCUIYFWCPL-KBPBESRZSA-N 1 0 320.458 4.087 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000421872773 337657438 /nfs/dbraw/zinc/65/74/38/337657438.db2.gz GYQAXCUIYFWCPL-UONOGXRCSA-N 1 0 320.458 4.087 20 5 DIBDRO CCC[C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000536835624 337735103 /nfs/dbraw/zinc/73/51/03/337735103.db2.gz VDZIRFUYTXHIAT-IRXDYDNUSA-N 1 0 322.449 4.069 20 5 DIBDRO CCOCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000536848572 337744295 /nfs/dbraw/zinc/74/42/95/337744295.db2.gz YPXXAWDPCNYZEL-HNNXBMFYSA-N 1 0 320.433 4.151 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120161934 337871019 /nfs/dbraw/zinc/87/10/19/337871019.db2.gz KYAGWXKKSSZRLY-KRWDZBQOSA-N 1 0 302.349 4.365 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000120459483 337874328 /nfs/dbraw/zinc/87/43/28/337874328.db2.gz PHSDEWFQKNSTFM-KRWDZBQOSA-N 1 0 302.349 4.365 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000122051113 337907089 /nfs/dbraw/zinc/90/70/89/337907089.db2.gz ORDFSIUQHFYJJG-CVEARBPZSA-N 1 0 308.447 4.311 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000537400889 337935469 /nfs/dbraw/zinc/93/54/69/337935469.db2.gz IUHKOHWNDCVXRX-GXTWGEPZSA-N 1 0 318.442 4.494 20 5 DIBDRO C[C@H](c1ccco1)N(Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000086234717 338013465 /nfs/dbraw/zinc/01/34/65/338013465.db2.gz LUOGZKHWEUBCRF-LLVKDONJSA-N 1 0 304.321 4.053 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000426385031 338029857 /nfs/dbraw/zinc/02/98/57/338029857.db2.gz KDDBXBYJFGSSSY-UHFFFAOYSA-N 1 0 309.369 4.017 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC(F)(F)C2)c2ccccc2)c1 ZINC000429464108 338081910 /nfs/dbraw/zinc/08/19/10/338081910.db2.gz BKIRGSGPDLLJEM-MRXNPFEDSA-N 1 0 318.323 4.072 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CC(F)(F)C2)c2ccccc2)c1 ZINC000429464107 338081989 /nfs/dbraw/zinc/08/19/89/338081989.db2.gz BKIRGSGPDLLJEM-INIZCTEOSA-N 1 0 318.323 4.072 20 5 DIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000429671209 338087021 /nfs/dbraw/zinc/08/70/21/338087021.db2.gz MVENVJZATLMSNT-GOEBONIOSA-N 1 0 308.447 4.057 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)cc1 ZINC000430195262 338100760 /nfs/dbraw/zinc/10/07/60/338100760.db2.gz OASALZSYRXMUDL-QGZVFWFLSA-N 1 0 314.385 4.153 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000430230778 338102281 /nfs/dbraw/zinc/10/22/81/338102281.db2.gz ZEUOSSVYANXDCF-AWEZNQCLSA-N 1 0 318.398 4.002 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000430230781 338102357 /nfs/dbraw/zinc/10/23/57/338102357.db2.gz ZEUOSSVYANXDCF-CQSZACIVSA-N 1 0 318.398 4.002 20 5 DIBDRO CC[C@@H](CSC)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433226217 338186661 /nfs/dbraw/zinc/18/66/61/338186661.db2.gz FQZLOFTVLKWBQA-XHDPSFHLSA-N 1 0 308.447 4.048 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCCC2 ZINC000153357685 338223135 /nfs/dbraw/zinc/22/31/35/338223135.db2.gz UKGJMNCEXVIHTM-GFCCVEGCSA-N 1 0 316.426 4.386 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000434682155 338223304 /nfs/dbraw/zinc/22/33/04/338223304.db2.gz VFNPNOOPDPVYKN-ZDUSSCGKSA-N 1 0 308.447 4.182 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000434682154 338223371 /nfs/dbraw/zinc/22/33/71/338223371.db2.gz VFNPNOOPDPVYKN-CYBMUJFWSA-N 1 0 308.447 4.182 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC2(CC2)CC1 ZINC000434780407 338225434 /nfs/dbraw/zinc/22/54/34/338225434.db2.gz YEVSNIUHSHAKPV-SDNWHVSQSA-N 1 0 300.402 4.311 20 5 DIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000434894091 338226949 /nfs/dbraw/zinc/22/69/49/338226949.db2.gz DGOFRAVZBBHROH-KXBFYZLASA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000434900333 338227254 /nfs/dbraw/zinc/22/72/54/338227254.db2.gz CWHJGZXJUHUNEX-HIFRSBDPSA-N 1 0 314.360 4.112 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000436230118 338262609 /nfs/dbraw/zinc/26/26/09/338262609.db2.gz UXSQKXYQQVBSQD-MSOLQXFVSA-N 1 0 310.397 4.063 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000442801338 338432419 /nfs/dbraw/zinc/43/24/19/338432419.db2.gz OJNKDBWDNCLVOX-GOSISDBHSA-N 1 0 323.396 4.360 20 5 DIBDRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447527616 338554089 /nfs/dbraw/zinc/55/40/89/338554089.db2.gz FNTRQHVPIYHATC-PXAZEXFGSA-N 1 0 316.426 4.255 20 5 DIBDRO CCSCC[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447528068 338554259 /nfs/dbraw/zinc/55/42/59/338554259.db2.gz ICXYCZXHVBYYNW-MLGOLLRUSA-N 1 0 308.447 4.094 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447530970 338554430 /nfs/dbraw/zinc/55/44/30/338554430.db2.gz NVNYFIFFJZFOSE-MSOLQXFVSA-N 1 0 320.433 4.013 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449270333 338608552 /nfs/dbraw/zinc/60/85/52/338608552.db2.gz QFEFKWCWJSPSPG-DGCLKSJQSA-N 1 0 318.339 4.092 20 5 DIBDRO CC(C)([NH2+]C[C@H]1CCCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000451055221 338719812 /nfs/dbraw/zinc/71/98/12/338719812.db2.gz NOOYNJXIKGJMCY-GFCCVEGCSA-N 1 0 312.360 4.245 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000451165152 338723942 /nfs/dbraw/zinc/72/39/42/338723942.db2.gz UJYPLKVHJKUJNN-QWHCGFSZSA-N 1 0 302.349 4.454 20 5 DIBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2sccc21 ZINC000453138549 338798533 /nfs/dbraw/zinc/79/85/33/338798533.db2.gz AOQHHXCCZFQMCN-ABAIWWIYSA-N 1 0 302.399 4.385 20 5 DIBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2sccc21 ZINC000453154249 338800488 /nfs/dbraw/zinc/80/04/88/338800488.db2.gz ROYMNERTOXECNV-SMDDNHRTSA-N 1 0 302.399 4.385 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000459787848 339048662 /nfs/dbraw/zinc/04/86/62/339048662.db2.gz PCWKMPXQNVFTAN-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000462542178 339081038 /nfs/dbraw/zinc/08/10/38/339081038.db2.gz LBSOTWQFHBFQMP-IFXJQAMLSA-N 1 0 310.397 4.398 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000463152732 339107368 /nfs/dbraw/zinc/10/73/68/339107368.db2.gz STKDUHZSSGTVAH-YJBOKZPZSA-N 1 0 310.397 4.223 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000463710959 339124341 /nfs/dbraw/zinc/12/43/41/339124341.db2.gz PFZNMUGSVDVNOS-JTQLQIEISA-N 1 0 304.312 4.149 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000464725334 339150060 /nfs/dbraw/zinc/15/00/60/339150060.db2.gz NGLKWUSKYBVLSH-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)o1 ZINC000464831850 339155881 /nfs/dbraw/zinc/15/58/81/339155881.db2.gz KTOXWDJOLJLXIG-SUMWQHHRSA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000466385295 339201785 /nfs/dbraw/zinc/20/17/85/339201785.db2.gz CKUGPPZYCZBKBS-IYZKZBJKSA-N 1 0 322.408 4.452 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000466403716 339202803 /nfs/dbraw/zinc/20/28/03/339202803.db2.gz IHNPKHRGFXCVNH-QAQDUYKDSA-N 1 0 310.397 4.247 20 5 DIBDRO Cc1ccc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466445097 339205342 /nfs/dbraw/zinc/20/53/42/339205342.db2.gz DDMPULPXZMZXHZ-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO Cc1cc(C)cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466456383 339205787 /nfs/dbraw/zinc/20/57/87/339205787.db2.gz OJPSDXCGONRLBY-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO CC(C)c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC000466903956 339220780 /nfs/dbraw/zinc/22/07/80/339220780.db2.gz BFFWSIZWPSLQPB-UHFFFAOYSA-N 1 0 323.396 4.489 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2cc[nH]c21 ZINC000467392119 339236402 /nfs/dbraw/zinc/23/64/02/339236402.db2.gz UTPCBMHDEMJWIF-CQSZACIVSA-N 1 0 323.396 4.187 20 5 DIBDRO Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000467834917 339247195 /nfs/dbraw/zinc/24/71/95/339247195.db2.gz XBHFJJFLDOGJHG-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000467835111 339247212 /nfs/dbraw/zinc/24/72/12/339247212.db2.gz YMPDYERXTWGUMW-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccc(OCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000467846637 339247569 /nfs/dbraw/zinc/24/75/69/339247569.db2.gz PJZWORRFLGEKSK-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000467846443 339247577 /nfs/dbraw/zinc/24/75/77/339247577.db2.gz NKCZBHALXAHRHN-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000467857673 339247867 /nfs/dbraw/zinc/24/78/67/339247867.db2.gz ANADOIQLFBWZFN-CYBMUJFWSA-N 1 0 316.426 4.210 20 5 DIBDRO Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000467861605 339247947 /nfs/dbraw/zinc/24/79/47/339247947.db2.gz HTJFHTFIHGXCTC-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467863507 339248066 /nfs/dbraw/zinc/24/80/66/339248066.db2.gz NXWZEDDSFJFQJG-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc(C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000467998772 339250765 /nfs/dbraw/zinc/25/07/65/339250765.db2.gz RWSJHMLLOGAFBX-LJQANCHMSA-N 1 0 324.424 4.057 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C/C=C/c1ccccc1 ZINC000468593728 339266988 /nfs/dbraw/zinc/26/69/88/339266988.db2.gz BNYKNTYAWAAETP-AAALYJMCSA-N 1 0 308.381 4.301 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000468643610 339267782 /nfs/dbraw/zinc/26/77/82/339267782.db2.gz QWWBYYQUYHSFFV-XGICHPGQSA-N 1 0 318.323 4.066 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000468642837 339267800 /nfs/dbraw/zinc/26/78/00/339267800.db2.gz UKCJUWXPZGNPLP-KPKJPENVSA-N 1 0 318.323 4.066 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000468744366 339269658 /nfs/dbraw/zinc/26/96/58/339269658.db2.gz QXCVHEHMHYSFBW-CEFACKQISA-N 1 0 310.344 4.166 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000470154899 339311838 /nfs/dbraw/zinc/31/18/38/339311838.db2.gz NYENJLRKVJDBRI-CYBMUJFWSA-N 1 0 316.323 4.066 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000470170001 339312561 /nfs/dbraw/zinc/31/25/61/339312561.db2.gz NEDRBTVCFFBPKG-QLKUMGTLSA-N 1 0 300.358 4.284 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1cccs1 ZINC000470171164 339312637 /nfs/dbraw/zinc/31/26/37/339312637.db2.gz GGPXXBLCWLFPJA-SDNWHVSQSA-N 1 0 316.426 4.234 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2ccsc2C1 ZINC000470178589 339313026 /nfs/dbraw/zinc/31/30/26/339313026.db2.gz LFTUCZNYFKKKGJ-LCYFTJDESA-N 1 0 314.410 4.118 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000470180785 339313091 /nfs/dbraw/zinc/31/30/91/339313091.db2.gz SQWOHYRYKLSYSB-RAXLEYEMSA-N 1 0 300.402 4.119 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000474014838 339397100 /nfs/dbraw/zinc/39/71/00/339397100.db2.gz KLLRBKAVIBWJKY-LLVKDONJSA-N 1 0 314.316 4.331 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000474055188 339399522 /nfs/dbraw/zinc/39/95/22/339399522.db2.gz ISJKEBYCUSGEEK-OAHLLOKOSA-N 1 0 308.809 4.103 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000475326140 339446445 /nfs/dbraw/zinc/44/64/45/339446445.db2.gz AJYLKHURODILFO-AWEZNQCLSA-N 1 0 308.422 4.149 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000475563716 339455482 /nfs/dbraw/zinc/45/54/82/339455482.db2.gz KBRJYUPRYLXFFE-WBVHZDCISA-N 1 0 314.360 4.160 20 5 DIBDRO CCC[C@@H]([NH2+]CCCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000481736787 339612072 /nfs/dbraw/zinc/61/20/72/339612072.db2.gz ZVYLNQYCIQPZNJ-GOSISDBHSA-N 1 0 320.433 4.375 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000483149722 339654205 /nfs/dbraw/zinc/65/42/05/339654205.db2.gz BBVLNOJYJVZNMO-ABAIWWIYSA-N 1 0 300.383 4.092 20 5 DIBDRO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000483619885 339669688 /nfs/dbraw/zinc/66/96/88/339669688.db2.gz HFUAXVPQSLFUHO-UONOGXRCSA-N 1 0 316.426 4.426 20 5 DIBDRO Cc1ccc([C@H](C)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000483873671 339677573 /nfs/dbraw/zinc/67/75/73/339677573.db2.gz RXSVHVZQEIAVBN-INIZCTEOSA-N 1 0 321.465 4.063 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000484481692 339687254 /nfs/dbraw/zinc/68/72/54/339687254.db2.gz WRUAINBRBQKRCV-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000487265950 339747947 /nfs/dbraw/zinc/74/79/47/339747947.db2.gz CBCRXIUXTXWTLC-LLVKDONJSA-N 1 0 317.414 4.088 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000491211741 339853636 /nfs/dbraw/zinc/85/36/36/339853636.db2.gz FLZQKGXIRAULOG-AWEZNQCLSA-N 1 0 310.397 4.324 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2[nH]ccc21)c1ccccc1[N+](=O)[O-] ZINC000492038476 339889708 /nfs/dbraw/zinc/88/97/08/339889708.db2.gz AQZTVUVCCUNNFW-UHFFFAOYSA-N 1 0 309.369 4.101 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000492051417 339890110 /nfs/dbraw/zinc/89/01/10/339890110.db2.gz WBXHNJVBMKBJPJ-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492610958 339905158 /nfs/dbraw/zinc/90/51/58/339905158.db2.gz YIYPVOKGRBBWMZ-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)cs1 ZINC000494841655 339962046 /nfs/dbraw/zinc/96/20/46/339962046.db2.gz FMBJODGHXBYOIF-UHFFFAOYSA-N 1 0 302.399 4.214 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000495372914 339981941 /nfs/dbraw/zinc/98/19/41/339981941.db2.gz BZZRWPQAPRTBSI-LLVKDONJSA-N 1 0 308.765 4.043 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000495438166 339984633 /nfs/dbraw/zinc/98/46/33/339984633.db2.gz GDTHYGQJSTWSRY-MBNRZODZSA-N 1 0 322.408 4.219 20 5 DIBDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000500505756 340061089 /nfs/dbraw/zinc/06/10/89/340061089.db2.gz ZHAXEAVAFCROCF-APWZRJJASA-N 1 0 310.397 4.318 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])oc1C ZINC000502419311 340102753 /nfs/dbraw/zinc/10/27/53/340102753.db2.gz VJYFUKFIBGIHFO-LLVKDONJSA-N 1 0 322.792 4.351 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000503871270 340135573 /nfs/dbraw/zinc/13/55/73/340135573.db2.gz JSAOHTKGTUYWFB-LBPRGKRZSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505868505 340180206 /nfs/dbraw/zinc/18/02/06/340180206.db2.gz OCVLHBBFXMZJCS-KRWDZBQOSA-N 1 0 314.360 4.379 20 5 DIBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000506098661 340185639 /nfs/dbraw/zinc/18/56/39/340185639.db2.gz GBKHLBUQVUXFHN-GQCTYLIASA-N 1 0 322.817 4.455 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](Cc1cccs1)C1CC1 ZINC000506618178 340197889 /nfs/dbraw/zinc/19/78/89/340197889.db2.gz SJOPDZNEGMQHRB-ZZXKWVIFSA-N 1 0 314.410 4.334 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000300413109 340225452 /nfs/dbraw/zinc/22/54/52/340225452.db2.gz YMJFBTBZTWJXAL-VHDGCEQUSA-N 1 0 308.447 4.228 20 5 DIBDRO CC[C@H]1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000507792582 340231763 /nfs/dbraw/zinc/23/17/63/340231763.db2.gz FODNXZKPFWDQOU-WMZOPIPTSA-N 1 0 320.433 4.010 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CCCCC2)CC1 ZINC000508002086 340237090 /nfs/dbraw/zinc/23/70/90/340237090.db2.gz XVVVNOYEWVQVEG-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO CC[C@H](C)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000509376124 340267904 /nfs/dbraw/zinc/26/79/04/340267904.db2.gz ZBBASPXXICRIBX-LBPRGKRZSA-N 1 0 319.430 4.196 20 5 DIBDRO C[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000512101954 340348623 /nfs/dbraw/zinc/34/86/23/340348623.db2.gz WQECZTCQOLNFDN-AAOUONPWSA-N 1 0 318.323 4.237 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173426805 340364813 /nfs/dbraw/zinc/36/48/13/340364813.db2.gz XUCUSDXINKLDRW-QRTARXTBSA-N 1 0 320.433 4.087 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cs1 ZINC000513073968 340392287 /nfs/dbraw/zinc/39/22/87/340392287.db2.gz FNTTXKSKKFVQLY-LSDHHAIUSA-N 1 0 302.399 4.082 20 5 DIBDRO CC[NH+](CC)[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000513194710 340396380 /nfs/dbraw/zinc/39/63/80/340396380.db2.gz RYMRYXXOBHRBKR-INIZCTEOSA-N 1 0 319.430 4.151 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3ncccc3c2)cccc1[N+](=O)[O-] ZINC000195149262 340575141 /nfs/dbraw/zinc/57/51/41/340575141.db2.gz NKUIJEURRJYDFZ-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000523391971 340622971 /nfs/dbraw/zinc/62/29/71/340622971.db2.gz VLYBBBGVIDVCAL-STQMWFEESA-N 1 0 302.374 4.379 20 5 DIBDRO CC1(C)CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000236747662 340664641 /nfs/dbraw/zinc/66/46/41/340664641.db2.gz JCCFNMWYXBOPCP-GOSISDBHSA-N 1 0 310.397 4.497 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000316714867 340694784 /nfs/dbraw/zinc/69/47/84/340694784.db2.gz DRJBHUJYTZWFMS-KRWDZBQOSA-N 1 0 316.788 4.068 20 5 DIBDRO COC1CCC(C)(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000530364109 340789379 /nfs/dbraw/zinc/78/93/79/340789379.db2.gz JIAXEDVOIKHMBE-MXWWQKGMSA-N 1 0 320.433 4.149 20 5 DIBDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000537974560 340794762 /nfs/dbraw/zinc/79/47/62/340794762.db2.gz GXCIOBOUEAYRME-IFXJQAMLSA-N 1 0 310.397 4.267 20 5 DIBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000537974559 340794807 /nfs/dbraw/zinc/79/48/07/340794807.db2.gz GXCIOBOUEAYRME-AUUYWEPGSA-N 1 0 310.397 4.267 20 5 DIBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000537974562 340794902 /nfs/dbraw/zinc/79/49/02/340794902.db2.gz GXCIOBOUEAYRME-LIRRHRJNSA-N 1 0 310.397 4.267 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000539048834 340867339 /nfs/dbraw/zinc/86/73/39/340867339.db2.gz FBYZYGYZZLAHDR-QGZVFWFLSA-N 1 0 316.788 4.068 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000539092114 340872746 /nfs/dbraw/zinc/87/27/46/340872746.db2.gz XAWAUZZSONQOKY-UGSOOPFHSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000539653314 340894526 /nfs/dbraw/zinc/89/45/26/340894526.db2.gz AWANOKDOSMTZRU-CYBMUJFWSA-N 1 0 314.360 4.382 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000542529399 341012361 /nfs/dbraw/zinc/01/23/61/341012361.db2.gz BNHOWDGPOOLRHA-GFCCVEGCSA-N 1 0 320.414 4.003 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000542703736 341018223 /nfs/dbraw/zinc/01/82/23/341018223.db2.gz UOFWSWLDNCNLEY-UHFFFAOYSA-N 1 0 310.353 4.281 20 5 DIBDRO CC[C@@H]([NH2+]CCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000130413828 341021090 /nfs/dbraw/zinc/02/10/90/341021090.db2.gz ONYDAOKPZTXAFL-CYBMUJFWSA-N 1 0 304.312 4.368 20 5 DIBDRO C[C@@H](Cc1ccsc1)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000543058584 341029576 /nfs/dbraw/zinc/02/95/76/341029576.db2.gz VGWXJUKOMXFUPU-ZDUSSCGKSA-N 1 0 316.426 4.252 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000543632892 341052279 /nfs/dbraw/zinc/05/22/79/341052279.db2.gz ZHHQIOBMAMOCDR-ZDUSSCGKSA-N 1 0 300.358 4.222 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000544364457 341078249 /nfs/dbraw/zinc/07/82/49/341078249.db2.gz AFWHEKFTHJICNL-HUUCEWRRSA-N 1 0 320.433 4.013 20 5 DIBDRO CCc1ccc([C@@H]([NH2+]C2CC(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544379642 341079145 /nfs/dbraw/zinc/07/91/45/341079145.db2.gz IYGMRAPBTSFAES-WFZFXDGQSA-N 1 0 314.385 4.228 20 5 DIBDRO CC[C@H]([NH2+]C[C@H](OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000131486011 341091373 /nfs/dbraw/zinc/09/13/73/341091373.db2.gz SOPNCNWFDWPZEN-ROUUACIJSA-N 1 0 314.385 4.023 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000544833560 341095634 /nfs/dbraw/zinc/09/56/34/341095634.db2.gz WXVDKSMQDJQXFM-AAEUAGOBSA-N 1 0 304.312 4.367 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000072727223 341101752 /nfs/dbraw/zinc/10/17/52/341101752.db2.gz BZTOXYIBWCLPOD-KRWDZBQOSA-N 1 0 316.788 4.489 20 5 DIBDRO CCOc1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000132218439 341118544 /nfs/dbraw/zinc/11/85/44/341118544.db2.gz MBNBTQFTKMURQB-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO CCC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000236655848 341192485 /nfs/dbraw/zinc/19/24/85/341192485.db2.gz WRFBUJLGFJYOFH-UHFFFAOYSA-N 1 0 300.358 4.277 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000564314070 341198247 /nfs/dbraw/zinc/19/82/47/341198247.db2.gz AYRZUAJKORMCCZ-LJQBUTKESA-N 1 0 323.396 4.230 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cs1 ZINC000237745619 341219523 /nfs/dbraw/zinc/21/95/23/341219523.db2.gz YJZPMTGHVHIGKV-UHFFFAOYSA-N 1 0 320.389 4.355 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(c2ccccc2F)CC1 ZINC000237809361 341221228 /nfs/dbraw/zinc/22/12/28/341221228.db2.gz AZBJLYUWCHWNHE-FNORWQNLSA-N 1 0 312.344 4.026 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000547726912 341228999 /nfs/dbraw/zinc/22/89/99/341228999.db2.gz YVPIEBRRHPIXBQ-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000547727108 341229061 /nfs/dbraw/zinc/22/90/61/341229061.db2.gz BVFNVRSAMZPAOV-INIZCTEOSA-N 1 0 320.339 4.156 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000547831495 341236141 /nfs/dbraw/zinc/23/61/41/341236141.db2.gz LEAAJBLJHPYPLP-JCGIZDLHSA-N 1 0 320.433 4.148 20 5 DIBDRO O=[N+]([O-])c1ccc(CNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC000136136817 341253385 /nfs/dbraw/zinc/25/33/85/341253385.db2.gz ODXVLPDIUONZPZ-UHFFFAOYSA-N 1 0 318.323 4.042 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000079721083 341264496 /nfs/dbraw/zinc/26/44/96/341264496.db2.gz ODRWDYVMPCJPPB-OLZOCXBDSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000080242380 341271368 /nfs/dbraw/zinc/27/13/68/341271368.db2.gz ZHGGYRMTEOTVGZ-YPMHNXCESA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000080241202 341271376 /nfs/dbraw/zinc/27/13/76/341271376.db2.gz KIENUCXQJRDZOB-DGCLKSJQSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1c(C[N@@H+]2CCC(C)=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000549159781 341287399 /nfs/dbraw/zinc/28/73/99/341287399.db2.gz SRHQCHGLKYPUEA-UHFFFAOYSA-N 1 0 312.369 4.176 20 5 DIBDRO C[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000549407564 341293573 /nfs/dbraw/zinc/29/35/73/341293573.db2.gz GGZWKIASYRZUIL-AWEZNQCLSA-N 1 0 316.376 4.012 20 5 DIBDRO Cc1sccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000549764926 341302615 /nfs/dbraw/zinc/30/26/15/341302615.db2.gz ZECIOFHKHLUOQY-UHFFFAOYSA-N 1 0 304.415 4.077 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552515101 341397041 /nfs/dbraw/zinc/39/70/41/341397041.db2.gz YJKCHBZUIOBMEX-BBRMVZONSA-N 1 0 314.360 4.284 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000552557519 341398616 /nfs/dbraw/zinc/39/86/16/341398616.db2.gz VBYOABMKWAYFQN-OLZOCXBDSA-N 1 0 302.349 4.188 20 5 DIBDRO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000554194734 341446560 /nfs/dbraw/zinc/44/65/60/341446560.db2.gz OLNJCJMBWBZNAR-ASFAAARLSA-N 1 0 310.397 4.366 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)cs1 ZINC000554719800 341461955 /nfs/dbraw/zinc/46/19/55/341461955.db2.gz LZUVSUNZIYQMGI-GHMZBOCLSA-N 1 0 322.352 4.115 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000564423730 341501510 /nfs/dbraw/zinc/50/15/10/341501510.db2.gz LNVJMUOOQIREMP-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO CC(C)SCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000566992160 341573619 /nfs/dbraw/zinc/57/36/19/341573619.db2.gz JSNMEMYWAORYPB-GDBMZVCRSA-N 1 0 322.474 4.037 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267425462 341591253 /nfs/dbraw/zinc/59/12/53/341591253.db2.gz LGZIGFUFEATQCI-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267470470 341591623 /nfs/dbraw/zinc/59/16/23/341591623.db2.gz XQDJCTVAWKVYED-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1F ZINC000574771241 341768521 /nfs/dbraw/zinc/76/85/21/341768521.db2.gz QLRPFSCRVLOJJZ-QLJPJBMISA-N 1 0 318.323 4.211 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000175985182 341855009 /nfs/dbraw/zinc/85/50/09/341855009.db2.gz GQTXPGNRWWIJNF-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000577564680 341918100 /nfs/dbraw/zinc/91/81/00/341918100.db2.gz RUIZUYUIYITGFV-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1C ZINC000177986664 341940968 /nfs/dbraw/zinc/94/09/68/341940968.db2.gz YEDJMLXTEIFFFT-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000178043122 341942301 /nfs/dbraw/zinc/94/23/01/341942301.db2.gz TVZKCJHFGXDOID-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccs1 ZINC000182551803 519782029 /nfs/dbraw/zinc/78/20/29/519782029.db2.gz CQKYEHQFVVFNGJ-LBPRGKRZSA-N 1 0 320.414 4.294 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000127536575 525571864 /nfs/dbraw/zinc/57/18/64/525571864.db2.gz APFGJMCFHQACGV-GOEBONIOSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000181392381 525607746 /nfs/dbraw/zinc/60/77/46/525607746.db2.gz ZQIBHAHXFQTKNS-MNOVXSKESA-N 1 0 305.765 4.055 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000127537256 525686055 /nfs/dbraw/zinc/68/60/55/525686055.db2.gz APFGJMCFHQACGV-ZBFHGGJFSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000181235894 525747015 /nfs/dbraw/zinc/74/70/15/525747015.db2.gz DVJNJIKITKVGIS-VXGBXAGGSA-N 1 0 319.792 4.363 20 5 DIBDRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000186763747 526111843 /nfs/dbraw/zinc/11/18/43/526111843.db2.gz HWFMZZDKQZMMEW-GXFFZTMASA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1csc([C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000186559411 526406935 /nfs/dbraw/zinc/40/69/35/526406935.db2.gz DDQVSODIKFYKKS-GXFFZTMASA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1csc([C@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000186560066 526430798 /nfs/dbraw/zinc/43/07/98/526430798.db2.gz QQCIIFNHFXKORO-YPMHNXCESA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000610216015 1035751140 /nfs/dbraw/zinc/75/11/40/1035751140.db2.gz BMWCANNQKTXGEZ-DNVCBOLYSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000610216124 1035751622 /nfs/dbraw/zinc/75/16/22/1035751622.db2.gz NQTSPDVPXAFRER-BBRMVZONSA-N 1 0 316.426 4.282 20 5 DIBDRO Cc1ccc(C[NH2+]CC(C)(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000609770531 1036050255 /nfs/dbraw/zinc/05/02/55/1036050255.db2.gz YOPFLLACOAWLEA-UHFFFAOYSA-N 1 0 312.413 4.262 20 5 DIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)s1 ZINC000261485314 1036727609 /nfs/dbraw/zinc/72/76/09/1036727609.db2.gz QKKXRAKRILNIAY-HNNXBMFYSA-N 1 0 302.399 4.302 20 5 DIBDRO CC(C)[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000610089187 1036932383 /nfs/dbraw/zinc/93/23/83/1036932383.db2.gz ISEGUEZJACBLFE-CYBMUJFWSA-N 1 0 302.374 4.237 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000177719819 1036961124 /nfs/dbraw/zinc/96/11/24/1036961124.db2.gz INHUTSBGJMOALB-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO CCS[C@H]1CCCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001167363973 1036985537 /nfs/dbraw/zinc/98/55/37/1036985537.db2.gz QIAUAKVZWGASOQ-HNNXBMFYSA-N 1 0 308.447 4.011 20 5 DIBDRO Cc1ccc(C[NH2+]CC(C)(C)c2cccs2)cc1[N+](=O)[O-] ZINC000083601767 1037134346 /nfs/dbraw/zinc/13/43/46/1037134346.db2.gz GWWMAGIVSNYLNY-UHFFFAOYSA-N 1 0 304.415 4.032 20 5 DIBDRO Cc1c(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)cccc1[N+](=O)[O-] ZINC000119264791 1037244752 /nfs/dbraw/zinc/24/47/52/1037244752.db2.gz SVVPIMJSCRZXPN-ZDUSSCGKSA-N 1 0 300.358 4.222 20 5 DIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000537634294 1037273390 /nfs/dbraw/zinc/27/33/90/1037273390.db2.gz HDCVWJKOCZIWDY-ZDUSSCGKSA-N 1 0 304.415 4.028 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001167433411 1037291599 /nfs/dbraw/zinc/29/15/99/1037291599.db2.gz CSGSTIKUNJTALT-WQGACYEGSA-N 1 0 308.809 4.401 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000157187984 1037725289 /nfs/dbraw/zinc/72/52/89/1037725289.db2.gz HGZRHCPFBDYDFV-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000610518238 1037806741 /nfs/dbraw/zinc/80/67/41/1037806741.db2.gz YYFHTJVNRMBAGR-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccc([C@H](C)NCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000610517882 1037814066 /nfs/dbraw/zinc/81/40/66/1037814066.db2.gz IIEJILCAIPVBIR-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000178248073 1038124078 /nfs/dbraw/zinc/12/40/78/1038124078.db2.gz VQSGKPQPALITTM-OAHLLOKOSA-N 1 0 319.792 4.274 20 5 DIBDRO CCCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000598640868 1038143403 /nfs/dbraw/zinc/14/34/03/1038143403.db2.gz OTSSISUNUXKXKB-LBPRGKRZSA-N 1 0 304.415 4.460 20 5 DIBDRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599086152 1038237512 /nfs/dbraw/zinc/23/75/12/1038237512.db2.gz JTXSYHGBBQPLMN-LLVKDONJSA-N 1 0 316.323 4.368 20 5 DIBDRO CC(C)[N@H+](CCCOC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000610681280 1038252977 /nfs/dbraw/zinc/25/29/77/1038252977.db2.gz XMHLQGIWBZAQIC-UHFFFAOYSA-N 1 0 308.422 4.010 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000170919486 1038262826 /nfs/dbraw/zinc/26/28/26/1038262826.db2.gz ZKXJUMQQAQFBJZ-GOSISDBHSA-N 1 0 314.360 4.365 20 5 DIBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610710615 1038267538 /nfs/dbraw/zinc/26/75/38/1038267538.db2.gz ANGVVCLQEPHDBE-CYBMUJFWSA-N 1 0 317.389 4.137 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000603837289 1038292997 /nfs/dbraw/zinc/29/29/97/1038292997.db2.gz RPOFETDRCCQJGQ-LJQANCHMSA-N 1 0 310.397 4.413 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000603841214 1038294197 /nfs/dbraw/zinc/29/41/97/1038294197.db2.gz RXZAEEQLHDYCDI-LBPRGKRZSA-N 1 0 320.339 4.374 20 5 DIBDRO COc1ccc(C[N@H+](Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000603845057 1038295734 /nfs/dbraw/zinc/29/57/34/1038295734.db2.gz BBNPLJCKUBGNLP-UHFFFAOYSA-N 1 0 314.385 4.014 20 5 DIBDRO COc1ccc(C[N@H+](C2CC2)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000603856331 1038303681 /nfs/dbraw/zinc/30/36/81/1038303681.db2.gz NRJVLTYODKSRTA-UHFFFAOYSA-N 1 0 318.417 4.147 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC(F)(F)C3)o2)c1 ZINC000610787723 1038308360 /nfs/dbraw/zinc/30/83/60/1038308360.db2.gz GZMVBPKRNGGCMU-GFCCVEGCSA-N 1 0 322.311 4.132 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000603867937 1038308412 /nfs/dbraw/zinc/30/84/12/1038308412.db2.gz DLHJYXIKLKZBEN-SFHVURJKSA-N 1 0 314.360 4.379 20 5 DIBDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000603925865 1038324402 /nfs/dbraw/zinc/32/44/02/1038324402.db2.gz DBDFWJCZXONZRO-UHFFFAOYSA-N 1 0 314.385 4.016 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccn1 ZINC000610810453 1038353190 /nfs/dbraw/zinc/35/31/90/1038353190.db2.gz LJBTYUPVSOROCS-WMLDXEAASA-N 1 0 313.401 4.490 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccn1 ZINC000610810452 1038353499 /nfs/dbraw/zinc/35/34/99/1038353499.db2.gz LJBTYUPVSOROCS-RHSMWYFYSA-N 1 0 313.401 4.490 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1 ZINC000342072204 1038388612 /nfs/dbraw/zinc/38/86/12/1038388612.db2.gz CCXNXRMHCWOJQV-CYBMUJFWSA-N 1 0 323.352 4.101 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1 ZINC000342108727 1038434354 /nfs/dbraw/zinc/43/43/54/1038434354.db2.gz SMRUQFDMAVMDLY-ZDUSSCGKSA-N 1 0 323.352 4.101 20 5 DIBDRO C[C@H]([NH2+]CCSCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611559806 1038463007 /nfs/dbraw/zinc/46/30/07/1038463007.db2.gz HBBCPXWSUHXYGU-AWEZNQCLSA-N 1 0 316.426 4.179 20 5 DIBDRO C[C@H]([NH2+]CCc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000539081364 1038520328 /nfs/dbraw/zinc/52/03/28/1038520328.db2.gz JECGPUNKKWZUFX-ZDUSSCGKSA-N 1 0 310.353 4.234 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000539088960 1038520981 /nfs/dbraw/zinc/52/09/81/1038520981.db2.gz GDPGAGWTNOELCU-AWEZNQCLSA-N 1 0 302.374 4.170 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H](OC)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000381113531 1038565411 /nfs/dbraw/zinc/56/54/11/1038565411.db2.gz CPEAGHQFAGESTR-RRQGHBQHSA-N 1 0 308.422 4.087 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000540177984 1038607150 /nfs/dbraw/zinc/60/71/50/1038607150.db2.gz YLGOOIGBHGVPIL-BIENJYKASA-N 1 0 310.397 4.487 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000478489110 1038654139 /nfs/dbraw/zinc/65/41/39/1038654139.db2.gz KQGFXTFVYGRZLW-JCGIZDLHSA-N 1 0 310.397 4.185 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000479580639 1038721591 /nfs/dbraw/zinc/72/15/91/1038721591.db2.gz RLTUIQKJCWIYQA-UHFFFAOYSA-N 1 0 320.339 4.284 20 5 DIBDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836562 1038930064 /nfs/dbraw/zinc/93/00/64/1038930064.db2.gz SWPPGTVIEVJPAY-HNNXBMFYSA-N 1 0 302.399 4.211 20 5 DIBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001167620849 1038950929 /nfs/dbraw/zinc/95/09/29/1038950929.db2.gz RHEZNFLOGOSNGH-YJBOKZPZSA-N 1 0 310.397 4.048 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000061362321 1039045906 /nfs/dbraw/zinc/04/59/06/1039045906.db2.gz SWXVFUAOPDQEKF-AWEZNQCLSA-N 1 0 302.399 4.132 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000178734383 1039069805 /nfs/dbraw/zinc/06/98/05/1039069805.db2.gz HRZJNCDPDWAWHF-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCC1 ZINC000609075915 1039209223 /nfs/dbraw/zinc/20/92/23/1039209223.db2.gz QOOCWTIMMMYVII-UHFFFAOYSA-N 1 0 300.358 4.277 20 5 DIBDRO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](C)C(C)C ZINC000089888528 1039276845 /nfs/dbraw/zinc/27/68/45/1039276845.db2.gz PFBFCVGSMHIOHP-ZDUSSCGKSA-N 1 0 317.389 4.116 20 5 DIBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089896905 1039289005 /nfs/dbraw/zinc/28/90/05/1039289005.db2.gz IEPPWZFXJXTHQJ-CHWSQXEVSA-N 1 0 315.373 4.013 20 5 DIBDRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000539604383 1039297763 /nfs/dbraw/zinc/29/77/63/1039297763.db2.gz NHOAMMZMGUPIIW-AWEZNQCLSA-N 1 0 316.376 4.244 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000539653315 1039308362 /nfs/dbraw/zinc/30/83/62/1039308362.db2.gz AWANOKDOSMTZRU-ZDUSSCGKSA-N 1 0 314.360 4.382 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2csc3ccccc23)cs1 ZINC000340422868 1039336237 /nfs/dbraw/zinc/33/62/37/1039336237.db2.gz XTIDZHOTJRTULH-UHFFFAOYSA-N 1 0 304.396 4.161 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC=CCC1 ZINC000540173496 1039437772 /nfs/dbraw/zinc/43/77/72/1039437772.db2.gz HEYNXBFASDXVII-KBPBESRZSA-N 1 0 306.431 4.164 20 5 DIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000540461176 1039495369 /nfs/dbraw/zinc/49/53/69/1039495369.db2.gz YLEZNVXKVLNQBC-UHFFFAOYSA-N 1 0 316.376 4.321 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000492624608 1039577251 /nfs/dbraw/zinc/57/72/51/1039577251.db2.gz DNZYZFJCJWJQEW-LBPRGKRZSA-N 1 0 302.399 4.084 20 5 DIBDRO CSCC1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000584183014 1039631201 /nfs/dbraw/zinc/63/12/01/1039631201.db2.gz SFTSTHQGKSTOFG-SEEARECTSA-N 1 0 320.458 4.094 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000090224589 1039779715 /nfs/dbraw/zinc/77/97/15/1039779715.db2.gz KUQJKJWATFIGKK-SFHVURJKSA-N 1 0 321.380 4.384 20 5 DIBDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000271818397 1039829838 /nfs/dbraw/zinc/82/98/38/1039829838.db2.gz RXGZXWHGSZLHEK-GXFFZTMASA-N 1 0 317.414 4.088 20 5 DIBDRO CCOc1cc(C[N@H+](C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492374720 1039957679 /nfs/dbraw/zinc/95/76/79/1039957679.db2.gz ICWCRTQGYVFNBN-CQSZACIVSA-N 1 0 314.385 4.187 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000152255284 1040005602 /nfs/dbraw/zinc/00/56/02/1040005602.db2.gz ZAIWAYGRLPKGQP-BLLLJJGKSA-N 1 0 300.358 4.224 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000492855664 1040031818 /nfs/dbraw/zinc/03/18/18/1040031818.db2.gz ZDJXMEYWICPOTA-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CS[C@H]1CCCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000492936018 1040040865 /nfs/dbraw/zinc/04/08/65/1040040865.db2.gz JRLVGEVJDQUTIS-ZFWWWQNUSA-N 1 0 308.447 4.182 20 5 DIBDRO CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000612192022 1040491446 /nfs/dbraw/zinc/49/14/46/1040491446.db2.gz IMJMRCVYCNMCDC-GQCTYLIASA-N 1 0 310.344 4.166 20 5 DIBDRO CC1(O)CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000179724794 1040526923 /nfs/dbraw/zinc/52/69/23/1040526923.db2.gz KDSDLPUEFWIIBE-UHFFFAOYSA-N 1 0 305.421 4.340 20 5 DIBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1C(F)(F)F ZINC000414307034 1041101380 /nfs/dbraw/zinc/10/13/80/1041101380.db2.gz ZTJAMVARPSTWQL-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO CCOc1cccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000180708038 1041198119 /nfs/dbraw/zinc/19/81/19/1041198119.db2.gz RAAUWBGYLWEWFV-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000480708221 1041358345 /nfs/dbraw/zinc/35/83/45/1041358345.db2.gz IJHWDUWUXGCJFL-MRXNPFEDSA-N 1 0 316.426 4.076 20 5 DIBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000290440267 1041506097 /nfs/dbraw/zinc/50/60/97/1041506097.db2.gz LTHVZCLPAPGBCJ-XMELGKRDSA-N 1 0 311.385 4.086 20 5 DIBDRO Cc1cccc(OC[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000481033036 1041519522 /nfs/dbraw/zinc/51/95/22/1041519522.db2.gz FUAHJHKITZAUPT-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811493686 1041524881 /nfs/dbraw/zinc/52/48/81/1041524881.db2.gz MZBAXHNNXIUTQL-LDYMZIIASA-N 1 0 303.189 4.180 20 5 DIBDRO CC(C)SCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811506162 1041532789 /nfs/dbraw/zinc/53/27/89/1041532789.db2.gz NROQSHOIUPSYDS-UHFFFAOYSA-N 1 0 323.245 4.133 20 5 DIBDRO CC1(C)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811506299 1041533780 /nfs/dbraw/zinc/53/37/80/1041533780.db2.gz PJZKQUVGVMURSD-LLVKDONJSA-N 1 0 303.189 4.180 20 5 DIBDRO Cc1ccoc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417352168 1041663989 /nfs/dbraw/zinc/66/39/89/1041663989.db2.gz UMUJIGSOPMKPCB-MRXNPFEDSA-N 1 0 300.358 4.054 20 5 DIBDRO Cc1ccoc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417352167 1041664303 /nfs/dbraw/zinc/66/43/03/1041664303.db2.gz UMUJIGSOPMKPCB-INIZCTEOSA-N 1 0 300.358 4.054 20 5 DIBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000418119219 1041728795 /nfs/dbraw/zinc/72/87/95/1041728795.db2.gz UPBFWKPZDYONNG-LLVKDONJSA-N 1 0 302.399 4.385 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccc2oc(C)nc2c1 ZINC001167757633 1041762097 /nfs/dbraw/zinc/76/20/97/1041762097.db2.gz UYXWSAXAPNUELL-UHFFFAOYSA-N 1 0 324.448 4.345 20 5 DIBDRO C[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])c2ccsc2S1 ZINC000216910824 1041805173 /nfs/dbraw/zinc/80/51/73/1041805173.db2.gz NVRUDKSCRDAIMJ-GXFFZTMASA-N 1 0 320.439 4.372 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000181768828 1041931165 /nfs/dbraw/zinc/93/11/65/1041931165.db2.gz DLEBVCAAGBAATK-MRXNPFEDSA-N 1 0 302.349 4.365 20 5 DIBDRO CC[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000822822321 1042301593 /nfs/dbraw/zinc/30/15/93/1042301593.db2.gz KABOWLPWBJMGEI-AAEUAGOBSA-N 1 0 317.216 4.219 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000572429736 1042352310 /nfs/dbraw/zinc/35/23/10/1042352310.db2.gz GRKLOLKBFJEBHA-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000572429735 1042352427 /nfs/dbraw/zinc/35/24/27/1042352427.db2.gz GRKLOLKBFJEBHA-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1ccc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c(C)c1 ZINC001648946479 1042375607 /nfs/dbraw/zinc/37/56/07/1042375607.db2.gz PJZNZVXLKFWDRL-UHFFFAOYSA-N 1 0 312.413 4.161 20 5 DIBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000433239097 1042461848 /nfs/dbraw/zinc/46/18/48/1042461848.db2.gz JAFOLIIEFPWXFP-ZANVPECISA-N 1 0 316.323 4.105 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000067248273 1042489499 /nfs/dbraw/zinc/48/94/99/1042489499.db2.gz VWCRKJODHINXKA-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000093632708 1042610196 /nfs/dbraw/zinc/61/01/96/1042610196.db2.gz BPWRCKLSDRMILS-OAHLLOKOSA-N 1 0 302.761 4.025 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000513786352 1042684941 /nfs/dbraw/zinc/68/49/41/1042684941.db2.gz DZRXERMWMHYXEM-NVXWUHKLSA-N 1 0 314.429 4.084 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000515777018 1042835177 /nfs/dbraw/zinc/83/51/77/1042835177.db2.gz VTXHYPWKCSNQFQ-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000120785712 1042951929 /nfs/dbraw/zinc/95/19/29/1042951929.db2.gz LXCFBXAYNHMTKL-QWHCGFSZSA-N 1 0 302.349 4.454 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1cccs1 ZINC000184404497 1042997719 /nfs/dbraw/zinc/99/77/19/1042997719.db2.gz GMXVHTSFRLVLJN-LBPRGKRZSA-N 1 0 324.377 4.045 20 5 DIBDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000441327079 1043037414 /nfs/dbraw/zinc/03/74/14/1043037414.db2.gz AEJSFQXQAOICAO-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000441327076 1043037615 /nfs/dbraw/zinc/03/76/15/1043037615.db2.gz AEJSFQXQAOICAO-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000441326802 1043037700 /nfs/dbraw/zinc/03/77/00/1043037700.db2.gz SRHHGLWNGUCZHG-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)s1 ZINC000261485315 1043089876 /nfs/dbraw/zinc/08/98/76/1043089876.db2.gz QKKXRAKRILNIAY-OAHLLOKOSA-N 1 0 302.399 4.302 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000441436757 1043099218 /nfs/dbraw/zinc/09/92/18/1043099218.db2.gz HTLBUSCIQAJVGR-YOEHRIQHSA-N 1 0 318.417 4.147 20 5 DIBDRO CC(C)c1nc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184722894 1043188650 /nfs/dbraw/zinc/18/86/50/1043188650.db2.gz NXMXQVHEFVVOJW-GFCCVEGCSA-N 1 0 319.430 4.068 20 5 DIBDRO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186127134 1043214713 /nfs/dbraw/zinc/21/47/13/1043214713.db2.gz RQMGAPOCJSVHLK-MNOVXSKESA-N 1 0 306.387 4.077 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000866606834 1043233370 /nfs/dbraw/zinc/23/33/70/1043233370.db2.gz IRPYZOJRUJRSQL-LERXQTSPSA-N 1 0 314.307 4.143 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 ZINC000268811582 1043333497 /nfs/dbraw/zinc/33/34/97/1043333497.db2.gz OCQZHPBTRHTCLK-CHWSQXEVSA-N 1 0 312.369 4.037 20 5 DIBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000520961240 1043347180 /nfs/dbraw/zinc/34/71/80/1043347180.db2.gz GGBWNWMQCWJFDC-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000520957495 1043347419 /nfs/dbraw/zinc/34/74/19/1043347419.db2.gz DBCJEQPFCSHXKA-BLLLJJGKSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000389587133 1043405629 /nfs/dbraw/zinc/40/56/29/1043405629.db2.gz NIMBFXITPYQUIR-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000872018457 1043418362 /nfs/dbraw/zinc/41/83/62/1043418362.db2.gz MHTNNWYWVGNRRJ-SNVBAGLBSA-N 1 0 308.428 4.229 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000872038884 1043431094 /nfs/dbraw/zinc/43/10/94/1043431094.db2.gz ATDOBIFAJUANBV-SECBINFHSA-N 1 0 322.352 4.310 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000872086148 1043454480 /nfs/dbraw/zinc/45/44/80/1043454480.db2.gz SPAMUIFRGXKCHN-TVQRCGJNSA-N 1 0 316.373 4.013 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000872129586 1043470483 /nfs/dbraw/zinc/47/04/83/1043470483.db2.gz QIARANFNISSMLJ-IJLUTSLNSA-N 1 0 316.323 4.367 20 5 DIBDRO COc1ccc(C[N@H+](CC(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000521822245 1043487242 /nfs/dbraw/zinc/48/72/42/1043487242.db2.gz GUHOJYIHRPACCI-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000873184396 1043524052 /nfs/dbraw/zinc/52/40/52/1043524052.db2.gz OSKXULNYBDQOKK-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO CC1=C(c2ccco2)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000558734621 1043581822 /nfs/dbraw/zinc/58/18/22/1043581822.db2.gz QTMTWYUWSHVTON-CQSZACIVSA-N 1 0 312.369 4.428 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2ccccc2o1 ZINC000558732701 1043582412 /nfs/dbraw/zinc/58/24/12/1043582412.db2.gz RWZYCNKJSLYWAT-UHFFFAOYSA-N 1 0 310.353 4.016 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000353385970 1043603701 /nfs/dbraw/zinc/60/37/01/1043603701.db2.gz LCVXDYBXJQRXSR-INIZCTEOSA-N 1 0 314.385 4.153 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000926904446 1043652715 /nfs/dbraw/zinc/65/27/15/1043652715.db2.gz XRUCKNBQRVXUAU-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000126104686 1043704928 /nfs/dbraw/zinc/70/49/28/1043704928.db2.gz WWXVOPDBOROISE-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355531787 1043773671 /nfs/dbraw/zinc/77/36/71/1043773671.db2.gz KWIRTXCKWKYJJJ-SFHVURJKSA-N 1 0 314.360 4.210 20 5 DIBDRO Cc1c(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000522469954 1043912719 /nfs/dbraw/zinc/91/27/19/1043912719.db2.gz XAQSJBLWICIXGN-RDTXWAMCSA-N 1 0 310.397 4.281 20 5 DIBDRO CC(C)(C)OCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000474973835 1044004306 /nfs/dbraw/zinc/00/43/06/1044004306.db2.gz ODAKVPXGNNSNRQ-UHFFFAOYSA-N 1 0 320.433 4.155 20 5 DIBDRO CC1(C)CCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001205007664 1044022350 /nfs/dbraw/zinc/02/23/50/1044022350.db2.gz LXMBTOBWDMCHEY-HNNXBMFYSA-N 1 0 310.825 4.349 20 5 DIBDRO CC(C)(C)OCCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000475044892 1044072478 /nfs/dbraw/zinc/07/24/78/1044072478.db2.gz AFAZKGLJPTXAOA-UHFFFAOYSA-N 1 0 320.433 4.155 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000933486813 1044198263 /nfs/dbraw/zinc/19/82/63/1044198263.db2.gz XRUCKNBQRVXUAU-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000883260214 1044250620 /nfs/dbraw/zinc/25/06/20/1044250620.db2.gz NSHCEIVRDJVDLQ-SECBINFHSA-N 1 0 304.312 4.066 20 5 DIBDRO CCc1ccc([C@@H]([NH2+]CC[C@H](C)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000563670344 1044300577 /nfs/dbraw/zinc/30/05/77/1044300577.db2.gz IXGMPTKKNXBQEU-SJCJKPOMSA-N 1 0 320.364 4.177 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000475332369 1044365386 /nfs/dbraw/zinc/36/53/86/1044365386.db2.gz FLCRVRZBACTLQN-NVXWUHKLSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1c(C[NH2+]CC[C@@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC001202604561 1044365644 /nfs/dbraw/zinc/36/56/44/1044365644.db2.gz YYIWNYJRIUHKJI-INIZCTEOSA-N 1 0 310.397 4.113 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000361509820 1044413150 /nfs/dbraw/zinc/41/31/50/1044413150.db2.gz DWIIUKUKSRMYJC-HOTGVXAUSA-N 1 0 314.410 4.483 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCOc2ccccc21 ZINC000565218111 1044419873 /nfs/dbraw/zinc/41/98/73/1044419873.db2.gz OXISYKDORVXFSN-IRXDYDNUSA-N 1 0 324.380 4.086 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCOc2ccccc21 ZINC000565218110 1044421211 /nfs/dbraw/zinc/42/12/11/1044421211.db2.gz OXISYKDORVXFSN-IAGOWNOFSA-N 1 0 324.380 4.086 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186438916 1044422594 /nfs/dbraw/zinc/42/25/94/1044422594.db2.gz APAFYQKVVPLEAY-AWEZNQCLSA-N 1 0 324.302 4.031 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000361964772 1044463747 /nfs/dbraw/zinc/46/37/47/1044463747.db2.gz CEKRYDQVKCVDHP-KDOFPFPSSA-N 1 0 313.401 4.052 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)cs1 ZINC000475560779 1044502771 /nfs/dbraw/zinc/50/27/71/1044502771.db2.gz VSDUJFRVMLNPIZ-HIFRSBDPSA-N 1 0 320.389 4.221 20 5 DIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783597539 1044505489 /nfs/dbraw/zinc/50/54/89/1044505489.db2.gz NLJDREUBWQVPTM-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Br)ccc2ccccc21 ZINC001227835186 1044508894 /nfs/dbraw/zinc/50/88/94/1044508894.db2.gz JIZXWGXGRJXJDU-LBPRGKRZSA-N 1 0 323.254 4.076 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000295980934 1044578296 /nfs/dbraw/zinc/57/82/96/1044578296.db2.gz OTDCBRGUCKDYMX-DYVFJYSZSA-N 1 0 316.405 4.003 20 5 DIBDRO CCc1ccc([C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000886046147 1044602518 /nfs/dbraw/zinc/60/25/18/1044602518.db2.gz CGDWSGIZBWCGTO-QGZVFWFLSA-N 1 0 313.401 4.039 20 5 DIBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000886116757 1044618594 /nfs/dbraw/zinc/61/85/94/1044618594.db2.gz QFTKAOUSVRDWQH-KRWDZBQOSA-N 1 0 311.385 4.011 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000037507780 1044713344 /nfs/dbraw/zinc/71/33/44/1044713344.db2.gz VVQOQIFLRPMGJU-MRXNPFEDSA-N 1 0 304.777 4.489 20 5 DIBDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513264 1044740442 /nfs/dbraw/zinc/74/04/42/1044740442.db2.gz CSGUSASXWNADQL-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC000524425138 1044829383 /nfs/dbraw/zinc/82/93/83/1044829383.db2.gz OSWUHLLQVYNURY-IBGZPJMESA-N 1 0 310.397 4.147 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000445894676 1044848455 /nfs/dbraw/zinc/84/84/55/1044848455.db2.gz BZPQHDCYNVUJFK-NSHDSACASA-N 1 0 324.730 4.315 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524592150 1044882385 /nfs/dbraw/zinc/88/23/85/1044882385.db2.gz BKRFAQCPMBIXJS-RDJZCZTQSA-N 1 0 310.397 4.281 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1ccncc1F)c1cccc([N+](=O)[O-])c1 ZINC000338021508 1044973842 /nfs/dbraw/zinc/97/38/42/1044973842.db2.gz PSWAAPBKYQIRPU-SJKOYZFVSA-N 1 0 317.364 4.321 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000525195888 1045009810 /nfs/dbraw/zinc/00/98/10/1045009810.db2.gz XYIUVGHFHBFADO-UHFFFAOYSA-N 1 0 323.396 4.189 20 5 DIBDRO CCOc1cc(C[NH2+][C@H](CC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000411895268 1045035249 /nfs/dbraw/zinc/03/52/49/1045035249.db2.gz SQGGJSFKRIXDGY-MRXNPFEDSA-N 1 0 314.385 4.234 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCC23CCC3)o1 ZINC000446852268 1045054505 /nfs/dbraw/zinc/05/45/05/1045054505.db2.gz IVKRZINGVOWGHO-UHFFFAOYSA-N 1 0 312.369 4.373 20 5 DIBDRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447518650 1045135891 /nfs/dbraw/zinc/13/58/91/1045135891.db2.gz DCQXFPKXSYNTEF-FZKQIMNGSA-N 1 0 314.385 4.176 20 5 DIBDRO Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000600790439 1045138797 /nfs/dbraw/zinc/13/87/97/1045138797.db2.gz RHHYVALDIBRBTG-MRXNPFEDSA-N 1 0 300.333 4.134 20 5 DIBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000601298664 1045212585 /nfs/dbraw/zinc/21/25/85/1045212585.db2.gz QBGBRVIKTUBQKR-QWRGUYRKSA-N 1 0 305.403 4.080 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000925227614 1045237480 /nfs/dbraw/zinc/23/74/80/1045237480.db2.gz ACOIANQPDWZIFZ-APPDUMDISA-N 1 0 318.348 4.241 20 5 DIBDRO Cc1cc2cc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2[nH]1 ZINC000578642920 1045260320 /nfs/dbraw/zinc/26/03/20/1045260320.db2.gz GUZKKVACCRTPJR-GOSISDBHSA-N 1 0 321.380 4.162 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC4(CCC4)C3)o2)c1 ZINC000578732559 1045268468 /nfs/dbraw/zinc/26/84/68/1045268468.db2.gz PXFPHZQSMDGMHP-UHFFFAOYSA-N 1 0 312.369 4.231 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579376537 1045309872 /nfs/dbraw/zinc/30/98/72/1045309872.db2.gz VKDOWQCSGQHYSA-MFKMUULPSA-N 1 0 316.323 4.293 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000449350749 1045379724 /nfs/dbraw/zinc/37/97/24/1045379724.db2.gz NCCKNHPDEGEDPM-KRWDZBQOSA-N 1 0 318.323 4.040 20 5 DIBDRO CSCC1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449420404 1045393922 /nfs/dbraw/zinc/39/39/22/1045393922.db2.gz FLKKTIBEFNHRJM-HLIUYOAVSA-N 1 0 322.474 4.037 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cs1 ZINC000449435521 1045396254 /nfs/dbraw/zinc/39/62/54/1045396254.db2.gz VVQHBUVRWCXIAB-QWRGUYRKSA-N 1 0 322.352 4.257 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000449495953 1045403019 /nfs/dbraw/zinc/40/30/19/1045403019.db2.gz PAZLSNGHKKOPTF-BCNIOPEESA-N 1 0 310.344 4.023 20 5 DIBDRO Cc1cccc(Cl)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450680150 1045544906 /nfs/dbraw/zinc/54/49/06/1045544906.db2.gz YCFLXKIJJXCUQJ-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CCC(C)C)cc1[N+](=O)[O-] ZINC001168124293 1045549059 /nfs/dbraw/zinc/54/90/59/1045549059.db2.gz DFABSAGPOJBYGX-OAHLLOKOSA-N 1 0 306.406 4.004 20 5 DIBDRO CSc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451105193 1045629394 /nfs/dbraw/zinc/62/93/94/1045629394.db2.gz SHHAJVASRJEFJU-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@H]2CCCF)c1 ZINC000800973423 1045672956 /nfs/dbraw/zinc/67/29/56/1045672956.db2.gz FEGJEDGRRKPEHS-NHYWBVRUSA-N 1 0 314.788 4.256 20 5 DIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801522051 1045730806 /nfs/dbraw/zinc/73/08/06/1045730806.db2.gz XZRDHSVIBFGBQR-XJKSGUPXSA-N 1 0 314.360 4.112 20 5 DIBDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC000753680411 1045789396 /nfs/dbraw/zinc/78/93/96/1045789396.db2.gz VNFBFGWHAVZMGO-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CCC2)s1 ZINC000520217996 1045895427 /nfs/dbraw/zinc/89/54/27/1045895427.db2.gz UELYFRKXPKNAHK-UHFFFAOYSA-N 1 0 302.399 4.213 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000531703514 1045899549 /nfs/dbraw/zinc/89/95/49/1045899549.db2.gz IPIYHHSVOXZWSR-CHWSQXEVSA-N 1 0 302.349 4.188 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000828703765 1045928312 /nfs/dbraw/zinc/92/83/12/1045928312.db2.gz LOGCROGWZWAZQA-ZWNOBZJWSA-N 1 0 317.216 4.138 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000453173580 1045965172 /nfs/dbraw/zinc/96/51/72/1045965172.db2.gz ZBOWEVNPIPKAPU-LSDHHAIUSA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000453173577 1045966221 /nfs/dbraw/zinc/96/62/21/1045966221.db2.gz ZBOWEVNPIPKAPU-CABCVRRESA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453214545 1045985427 /nfs/dbraw/zinc/98/54/27/1045985427.db2.gz DMGKXGKTZRHJOY-TZMCWYRMSA-N 1 0 314.410 4.135 20 5 DIBDRO CC(F)(F)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453214261 1045985728 /nfs/dbraw/zinc/98/57/28/1045985728.db2.gz DDDSHIOICFBGOD-INIZCTEOSA-N 1 0 320.339 4.319 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453228136 1045995589 /nfs/dbraw/zinc/99/55/89/1045995589.db2.gz ZICNCPHAHBZKGD-TZMCWYRMSA-N 1 0 314.410 4.135 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000453232002 1045997554 /nfs/dbraw/zinc/99/75/54/1045997554.db2.gz IYBNGLBWXWPXRP-KPZWWZAWSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000453258154 1046007213 /nfs/dbraw/zinc/00/72/13/1046007213.db2.gz OFQRGGUFVAQSQQ-GFCCVEGCSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1c([C@@H](C)[N@@H+]2CCC[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000453367138 1046066964 /nfs/dbraw/zinc/06/69/64/1046066964.db2.gz PQXHRFQZQZMFJX-RHSMWYFYSA-N 1 0 320.458 4.183 20 5 DIBDRO Cc1c([C@@H](C)[N@@H+]2CCC[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000453367134 1046067457 /nfs/dbraw/zinc/06/74/57/1046067457.db2.gz PQXHRFQZQZMFJX-PBHICJAKSA-N 1 0 320.458 4.183 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000237606958 1046104754 /nfs/dbraw/zinc/10/47/54/1046104754.db2.gz JIMCHJAVINDYTA-OLZOCXBDSA-N 1 0 316.323 4.114 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000532229016 1046119478 /nfs/dbraw/zinc/11/94/78/1046119478.db2.gz WJRZPUVYWVFZSJ-UONOGXRCSA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1c(C[N@H+](C)Cc2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000195676239 1046131838 /nfs/dbraw/zinc/13/18/38/1046131838.db2.gz VXRXMOCLSJEPFK-UHFFFAOYSA-N 1 0 310.353 4.281 20 5 DIBDRO CC[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195732457 1046133675 /nfs/dbraw/zinc/13/36/75/1046133675.db2.gz ITZQRDRUMPXTMU-INIZCTEOSA-N 1 0 302.349 4.317 20 5 DIBDRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1c(F)cccc1[N+](=O)[O-] ZINC000903157149 1046179082 /nfs/dbraw/zinc/17/90/82/1046179082.db2.gz ZBBBOSRZBQHCEP-ODWCKFRGSA-N 1 0 324.421 4.059 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903167516 1046182998 /nfs/dbraw/zinc/18/29/98/1046182998.db2.gz ZQCUGDIVDKVUGM-QWRGUYRKSA-N 1 0 306.387 4.077 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)c1ccccc1[N+](=O)[O-] ZINC000903246883 1046206756 /nfs/dbraw/zinc/20/67/56/1046206756.db2.gz YGVCPOQOURYVRC-NEPJUHHUSA-N 1 0 319.792 4.098 20 5 DIBDRO CCc1cccnc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245201 1046207848 /nfs/dbraw/zinc/20/78/48/1046207848.db2.gz JZQOPJTZSAYZBQ-KGLIPLIRSA-N 1 0 313.401 4.007 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903280032 1046220871 /nfs/dbraw/zinc/22/08/71/1046220871.db2.gz AHCHTQHKMIYKBZ-WDEREUQCSA-N 1 0 312.410 4.059 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287514 1046223335 /nfs/dbraw/zinc/22/33/35/1046223335.db2.gz PPGZZODMFPMSGF-KZULUSFZSA-N 1 0 312.369 4.029 20 5 DIBDRO CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000903286578 1046224557 /nfs/dbraw/zinc/22/45/57/1046224557.db2.gz BKNIHLBVTDCHAD-GHMZBOCLSA-N 1 0 319.430 4.334 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000903287879 1046224762 /nfs/dbraw/zinc/22/47/62/1046224762.db2.gz SDQWRHDFLSNGLV-KGLIPLIRSA-N 1 0 313.401 4.073 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903288793 1046225176 /nfs/dbraw/zinc/22/51/76/1046225176.db2.gz OYRBXRZKEQVOEW-NXEZZACHSA-N 1 0 324.302 4.424 20 5 DIBDRO CC[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903338769 1046251653 /nfs/dbraw/zinc/25/16/53/1046251653.db2.gz JDIHARPYOGNLTI-WMZOPIPTSA-N 1 0 311.385 4.182 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000903341256 1046253704 /nfs/dbraw/zinc/25/37/04/1046253704.db2.gz WWMLBACWJTVONL-UGSOOPFHSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000903427631 1046277379 /nfs/dbraw/zinc/27/73/79/1046277379.db2.gz IAVIBHDZAOEWHC-ACJLOTCBSA-N 1 0 311.385 4.100 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)CCC2 ZINC000903427809 1046278143 /nfs/dbraw/zinc/27/81/43/1046278143.db2.gz KFHHBCASQSMKEM-RBUKOAKNSA-N 1 0 323.396 4.108 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccn1 ZINC000610810432 1046373895 /nfs/dbraw/zinc/37/38/95/1046373895.db2.gz IQPQGURTCHIFFO-KSSFIOAISA-N 1 0 313.401 4.490 20 5 DIBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001648985344 1046440085 /nfs/dbraw/zinc/44/00/85/1046440085.db2.gz COYZDOOYPPKYBZ-HFTRVMKXSA-N 1 0 304.434 4.393 20 5 DIBDRO C[N@H+](Cc1cccnn1)Cc1c2ccccc2cc2ccccc21 ZINC001139972496 1046560260 /nfs/dbraw/zinc/56/02/60/1046560260.db2.gz SETHYPOJACIHLU-UHFFFAOYSA-N 1 0 313.404 4.415 20 5 DIBDRO C[N@H+](Cc1ccnnc1)Cc1c2ccccc2cc2ccccc21 ZINC001139983408 1046563454 /nfs/dbraw/zinc/56/34/54/1046563454.db2.gz CYJWKTXSOWBYJP-UHFFFAOYSA-N 1 0 313.404 4.415 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1 ZINC000783608415 1046613894 /nfs/dbraw/zinc/61/38/94/1046613894.db2.gz FAHDBTLIZSTGRO-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000302836510 1046807531 /nfs/dbraw/zinc/80/75/31/1046807531.db2.gz GXJPEXJPPRQILM-OAHLLOKOSA-N 1 0 310.397 4.396 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC23CCC3)s1 ZINC000536677631 1047068222 /nfs/dbraw/zinc/06/82/22/1047068222.db2.gz FRQGRQJEULWTON-UHFFFAOYSA-N 1 0 314.410 4.452 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000536755074 1047097982 /nfs/dbraw/zinc/09/79/82/1047097982.db2.gz FTHGGQCCPJGAQC-CRAIPNDOSA-N 1 0 320.433 4.011 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000536824236 1047104212 /nfs/dbraw/zinc/10/42/12/1047104212.db2.gz AHSSJESWQWJBBV-JJRVBVJISA-N 1 0 320.433 4.148 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000536838198 1047106511 /nfs/dbraw/zinc/10/65/11/1047106511.db2.gz HSPLLWAANYHJFB-LBPRGKRZSA-N 1 0 304.415 4.112 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000536846863 1047109525 /nfs/dbraw/zinc/10/95/25/1047109525.db2.gz RNQWVMWJUOVPMZ-ZDUSSCGKSA-N 1 0 316.426 4.210 20 5 DIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000536869220 1047116826 /nfs/dbraw/zinc/11/68/26/1047116826.db2.gz KANPBNRLFQPSDB-ZDUSSCGKSA-N 1 0 304.415 4.330 20 5 DIBDRO Cc1ccc(SCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536877020 1047117995 /nfs/dbraw/zinc/11/79/95/1047117995.db2.gz MUEXLQFGKNSOSV-AWEZNQCLSA-N 1 0 316.426 4.346 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000537012923 1047130385 /nfs/dbraw/zinc/13/03/85/1047130385.db2.gz KZHMGCBMXLLANG-SFHVURJKSA-N 1 0 314.360 4.017 20 5 DIBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537246288 1047156529 /nfs/dbraw/zinc/15/65/29/1047156529.db2.gz HUEYZBHPZHSRRS-GHMZBOCLSA-N 1 0 320.776 4.254 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000152573197 1047254266 /nfs/dbraw/zinc/25/42/66/1047254266.db2.gz XBNPORACPWJDIJ-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000122021782 1047257688 /nfs/dbraw/zinc/25/76/88/1047257688.db2.gz SXSHSVALNZPYQP-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141723525 1047277806 /nfs/dbraw/zinc/27/78/06/1047277806.db2.gz ZXDNHRVVOUSPBR-QAPCUYQASA-N 1 0 305.421 4.338 20 5 DIBDRO O=C1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1F ZINC001141723416 1047277971 /nfs/dbraw/zinc/27/79/71/1047277971.db2.gz WUFRFPHETBGDAB-HXUWFJFHSA-N 1 0 321.395 4.496 20 5 DIBDRO CC(=O)[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727760 1047281616 /nfs/dbraw/zinc/28/16/16/1047281616.db2.gz DNBFWYWDLHNLPN-GOSISDBHSA-N 1 0 303.405 4.404 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897748709 1047284878 /nfs/dbraw/zinc/28/48/78/1047284878.db2.gz BCZTVUWXYLTRCY-BORBWPHNSA-N 1 0 318.442 4.014 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000537480773 1047303122 /nfs/dbraw/zinc/30/31/22/1047303122.db2.gz DFOVAFKBNZLFFR-USXIJHARSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512032 1047389675 /nfs/dbraw/zinc/38/96/75/1047389675.db2.gz PZLLSHHWUOJPME-KZULUSFZSA-N 1 0 314.360 4.147 20 5 DIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCC1 ZINC000537634200 1047509289 /nfs/dbraw/zinc/50/92/89/1047509289.db2.gz DAKAAZGXFYAJHG-UHFFFAOYSA-N 1 0 320.776 4.493 20 5 DIBDRO Cc1ccccc1C1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000843418289 1047548270 /nfs/dbraw/zinc/54/82/70/1047548270.db2.gz ANFCVZBZEPPJKK-UHFFFAOYSA-N 1 0 316.788 4.336 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192785914 1047628104 /nfs/dbraw/zinc/62/81/04/1047628104.db2.gz VMFDXCAFCVHBJH-SCLBCKFNSA-N 1 0 314.385 4.405 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000348203371 1047634695 /nfs/dbraw/zinc/63/46/95/1047634695.db2.gz CEWFCVCZDNEUCO-BBRMVZONSA-N 1 0 308.447 4.169 20 5 DIBDRO CC[C@H]([NH2+][C@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000537958045 1047646860 /nfs/dbraw/zinc/64/68/60/1047646860.db2.gz DWMGBRGBLFJFGB-IRXDYDNUSA-N 1 0 312.369 4.078 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538113254 1047658375 /nfs/dbraw/zinc/65/83/75/1047658375.db2.gz BRYGBKFWLFEDOQ-KGLIPLIRSA-N 1 0 313.401 4.272 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CSc2ccccc21 ZINC000538400311 1047672283 /nfs/dbraw/zinc/67/22/83/1047672283.db2.gz OINGZALERZKWRZ-ZQMJAJRESA-N 1 0 312.394 4.045 20 5 DIBDRO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000538731522 1047702846 /nfs/dbraw/zinc/70/28/46/1047702846.db2.gz RLFREHMQCSBPDK-UHFFFAOYSA-N 1 0 300.358 4.087 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000539076494 1047734876 /nfs/dbraw/zinc/73/48/76/1047734876.db2.gz FNMBAPYSVSXDQE-MRXNPFEDSA-N 1 0 320.339 4.156 20 5 DIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000192808048 1047740037 /nfs/dbraw/zinc/74/00/37/1047740037.db2.gz XHAICKCHZRQZBU-NEPJUHHUSA-N 1 0 318.348 4.154 20 5 DIBDRO c1nn(C2C[NH2+]C2)cc1Nc1c2ccccc2cc2ccccc21 ZINC001159248639 1047824110 /nfs/dbraw/zinc/82/41/10/1047824110.db2.gz SDAGHJLZFPQBJH-UHFFFAOYSA-N 1 0 314.392 4.077 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000553294819 1047835528 /nfs/dbraw/zinc/83/55/28/1047835528.db2.gz PSFNIHWBORMPJG-SNVBAGLBSA-N 1 0 324.302 4.171 20 5 DIBDRO Nc1c2ccccc2c2ccccc2c1NC=C1CC[NH2+]CC1 ZINC001159755099 1047913375 /nfs/dbraw/zinc/91/33/75/1047913375.db2.gz ICMQUINCJQGQEV-UHFFFAOYSA-N 1 0 303.409 4.254 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001183651449 1047951370 /nfs/dbraw/zinc/95/13/70/1047951370.db2.gz DTXMYANKQWHEQO-RCBQFDQVSA-N 1 0 320.433 4.228 20 5 DIBDRO Cc1ccc(Nc2ccccc2C2=CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160023318 1047971501 /nfs/dbraw/zinc/97/15/01/1047971501.db2.gz LDHPSMNFZUNNIE-UHFFFAOYSA-N 1 0 309.369 4.024 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccsc2)cc1Cl ZINC001184386715 1048034548 /nfs/dbraw/zinc/03/45/48/1048034548.db2.gz DGLBPQSBNLOOLM-UHFFFAOYSA-N 1 0 310.806 4.032 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000776017105 1048091934 /nfs/dbraw/zinc/09/19/34/1048091934.db2.gz RYBIYEOASYWYLY-KRWDZBQOSA-N 1 0 316.788 4.489 20 5 DIBDRO CCC[C@H]([NH2+]Cc1c(C)noc1CC)c1cccc([N+](=O)[O-])c1 ZINC000927139097 1048098422 /nfs/dbraw/zinc/09/84/22/1048098422.db2.gz GBAWXIARZOAXRK-INIZCTEOSA-N 1 0 317.389 4.085 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)c(Cl)c1 ZINC000480452642 1048144768 /nfs/dbraw/zinc/14/47/68/1048144768.db2.gz IIAKOLJQVOUPCZ-UHFFFAOYSA-N 1 0 316.788 4.415 20 5 DIBDRO Cc1c(C[NH2+]Cc2cc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000480485759 1048151110 /nfs/dbraw/zinc/15/11/10/1048151110.db2.gz FGPDQTBKNBBLJF-UHFFFAOYSA-N 1 0 312.394 4.408 20 5 DIBDRO CC(C)[PH+](CCNc1ccc2[nH]cc([N+](=O)[O-])c2n1)C(C)C ZINC001162361809 1048268593 /nfs/dbraw/zinc/26/85/93/1048268593.db2.gz FVKQTUAJKDSEQD-UHFFFAOYSA-N 1 0 322.349 4.182 20 5 DIBDRO CC[C@@H]([NH2+]C/C=C/c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001201493225 1048285019 /nfs/dbraw/zinc/28/50/19/1048285019.db2.gz YUGYTKISSIEDHY-SUQGKYDKSA-N 1 0 314.360 4.488 20 5 DIBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000481086852 1048307258 /nfs/dbraw/zinc/30/72/58/1048307258.db2.gz CWLFOZCTYVZWHX-YPMHNXCESA-N 1 0 317.389 4.040 20 5 DIBDRO CC[C@@H]([NH2+]CCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000481318838 1048365649 /nfs/dbraw/zinc/36/56/49/1048365649.db2.gz KNCSCESNIRUSTG-QGZVFWFLSA-N 1 0 320.339 4.156 20 5 DIBDRO CC(C)C1CCC(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001201822148 1048383974 /nfs/dbraw/zinc/38/39/74/1048383974.db2.gz FLMNXWNMPFOSPY-UHFFFAOYSA-N 1 0 304.434 4.189 20 5 DIBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc3cc[nH]c3c([N+](=O)[O-])c2)c1 ZINC001162909239 1048384524 /nfs/dbraw/zinc/38/45/24/1048384524.db2.gz KMWOFCRSUXDAHF-NSHDSACASA-N 1 0 320.352 4.040 20 5 DIBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1ccc2cc([C@@H](C)[NH3+])ccc21 ZINC001162908862 1048385227 /nfs/dbraw/zinc/38/52/27/1048385227.db2.gz ILJDVXQBTYIYAA-LLVKDONJSA-N 1 0 313.332 4.006 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC001175643701 1048388706 /nfs/dbraw/zinc/38/87/06/1048388706.db2.gz ZFZGFOIHHYSCNO-GOSISDBHSA-N 1 0 318.417 4.148 20 5 DIBDRO Cc1c(C[NH2+]Cc2ccc(C3CCC3)cc2)cccc1[N+](=O)[O-] ZINC000555583747 1048396706 /nfs/dbraw/zinc/39/67/06/1048396706.db2.gz YASGQMJUJFFFGL-UHFFFAOYSA-N 1 0 310.397 4.461 20 5 DIBDRO Cc1ccc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001163173751 1048427328 /nfs/dbraw/zinc/42/73/28/1048427328.db2.gz UJWRDEGZVSKQAE-MRXNPFEDSA-N 1 0 317.433 4.112 20 5 DIBDRO Cc1c(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481718818 1048464615 /nfs/dbraw/zinc/46/46/15/1048464615.db2.gz BAMXARALXBNZCC-AAEUAGOBSA-N 1 0 316.323 4.066 20 5 DIBDRO Cc1c(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000481718819 1048464678 /nfs/dbraw/zinc/46/46/78/1048464678.db2.gz BAMXARALXBNZCC-DGCLKSJQSA-N 1 0 316.323 4.066 20 5 DIBDRO Cc1c(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC001202176155 1048471626 /nfs/dbraw/zinc/47/16/26/1048471626.db2.gz KZTHBNZRRYPRLX-JCNLHEQBSA-N 1 0 314.360 4.078 20 5 DIBDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001176036886 1048539821 /nfs/dbraw/zinc/53/98/21/1048539821.db2.gz PZIGQTLGVCRDIZ-YOEHRIQHSA-N 1 0 310.397 4.366 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000850427123 1048653467 /nfs/dbraw/zinc/65/34/67/1048653467.db2.gz NERHQCIKDHLHMH-NEPJUHHUSA-N 1 0 320.414 4.385 20 5 DIBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001176356989 1048659529 /nfs/dbraw/zinc/65/95/29/1048659529.db2.gz WQRXHLMYGUAQTR-HNAYVOBHSA-N 1 0 310.397 4.363 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1F ZINC001190399407 1048730143 /nfs/dbraw/zinc/73/01/43/1048730143.db2.gz LYVLECCPTWCSRP-INIZCTEOSA-N 1 0 306.381 4.279 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483122903 1048740061 /nfs/dbraw/zinc/74/00/61/1048740061.db2.gz OLSHNZXQCQKKFL-ZFWWWQNUSA-N 1 0 314.360 4.284 20 5 DIBDRO C[N@H+](CCc1ccccc1F)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001190855580 1048794595 /nfs/dbraw/zinc/79/45/95/1048794595.db2.gz UCTILVUXYIRLSP-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000775425227 1048809318 /nfs/dbraw/zinc/80/93/18/1048809318.db2.gz WCNPAIKEVOMACN-KRWDZBQOSA-N 1 0 314.360 4.365 20 5 DIBDRO Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000483715591 1048844222 /nfs/dbraw/zinc/84/42/22/1048844222.db2.gz QTRVIYZRLKSSNY-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1cccc2c(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000483726873 1048845394 /nfs/dbraw/zinc/84/53/94/1048845394.db2.gz JUXJNYZLPFRRQI-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483852026 1048871310 /nfs/dbraw/zinc/87/13/10/1048871310.db2.gz MCFKDQNSACGIQV-HOTGVXAUSA-N 1 0 308.422 4.087 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483852025 1048871714 /nfs/dbraw/zinc/87/17/14/1048871714.db2.gz MCFKDQNSACGIQV-CVEARBPZSA-N 1 0 308.422 4.087 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CCCC3)CC2)cc1F ZINC001191350303 1048922076 /nfs/dbraw/zinc/92/20/76/1048922076.db2.gz JKDGJYYTPMHSQI-UHFFFAOYSA-N 1 0 306.381 4.136 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@@H](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC001191464885 1048954431 /nfs/dbraw/zinc/95/44/31/1048954431.db2.gz SFPPVCBEBBKADP-LBPRGKRZSA-N 1 0 304.415 4.028 20 5 DIBDRO CC[C@H]([NH2+]CCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000484496249 1048963485 /nfs/dbraw/zinc/96/34/85/1048963485.db2.gz YGTSEAUVHZSXIY-KRWDZBQOSA-N 1 0 320.339 4.156 20 5 DIBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001178326473 1049022519 /nfs/dbraw/zinc/02/25/19/1049022519.db2.gz KWCXWJCJPAEKGK-CZUORRHYSA-N 1 0 322.836 4.373 20 5 DIBDRO CC(C)(C)C1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001178386779 1049024217 /nfs/dbraw/zinc/02/42/17/1049024217.db2.gz MEONMYXEWSOLRL-UHFFFAOYSA-N 1 0 304.434 4.332 20 5 DIBDRO Cc1cc(C)c(/C=C\C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1C ZINC001178393481 1049025636 /nfs/dbraw/zinc/02/56/36/1049025636.db2.gz PQVSHDWGISISIY-ALCCZGGFSA-N 1 0 324.424 4.366 20 5 DIBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1O ZINC001204002518 1049057379 /nfs/dbraw/zinc/05/73/79/1049057379.db2.gz SSROUHMQBOCTGP-XOBRGWDASA-N 1 0 315.416 4.397 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCC[C@@H]1CC ZINC001178824286 1049096855 /nfs/dbraw/zinc/09/68/55/1049096855.db2.gz XWORSLWUEJGFNX-GJZGRUSLSA-N 1 0 320.433 4.300 20 5 DIBDRO CC(C)c1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001204230344 1049115446 /nfs/dbraw/zinc/11/54/46/1049115446.db2.gz ZCAPTRYXCVEHOL-UHFFFAOYSA-N 1 0 312.413 4.393 20 5 DIBDRO O[C@H]1C[C@@H]([NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001178962629 1049115676 /nfs/dbraw/zinc/11/56/76/1049115676.db2.gz NNCUAYSMNUHNCO-BETUJISGSA-N 1 0 311.812 4.259 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H](OC)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001192814629 1049139072 /nfs/dbraw/zinc/13/90/72/1049139072.db2.gz UMVYLMWEHNTJGQ-QZTJIDSGSA-N 1 0 320.433 4.231 20 5 DIBDRO O[C@H]1C[C@H]([NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001179243251 1049147688 /nfs/dbraw/zinc/14/76/88/1049147688.db2.gz NNCUAYSMNUHNCO-JOCQHMNTSA-N 1 0 311.812 4.259 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)c(F)c1 ZINC001192881745 1049150648 /nfs/dbraw/zinc/15/06/48/1049150648.db2.gz ZERRODUZTRQXBG-SFHVURJKSA-N 1 0 316.376 4.326 20 5 DIBDRO O=[N+]([O-])c1cccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001204457181 1049166777 /nfs/dbraw/zinc/16/67/77/1049166777.db2.gz UUOCLBKAFGQSSP-UHFFFAOYSA-N 1 0 311.385 4.324 20 5 DIBDRO C[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001179575887 1049179662 /nfs/dbraw/zinc/17/96/62/1049179662.db2.gz YJTIKGZNDIFKNP-QAVQXKDTSA-N 1 0 318.323 4.237 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001179579160 1049180857 /nfs/dbraw/zinc/18/08/57/1049180857.db2.gz LSDRTUWUJVAGPJ-OAHLLOKOSA-N 1 0 320.433 4.013 20 5 DIBDRO CCOc1cc(C[NH2+][C@H](C)C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001193260004 1049192231 /nfs/dbraw/zinc/19/22/31/1049192231.db2.gz DRUZDJSOKLCQAH-CQSZACIVSA-N 1 0 320.433 4.442 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC001179685854 1049192261 /nfs/dbraw/zinc/19/22/61/1049192261.db2.gz RDDAAFPGEVHQTJ-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO CSCC(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001179740360 1049199853 /nfs/dbraw/zinc/19/98/53/1049199853.db2.gz MKIBNUFBUJOIGT-UHFFFAOYSA-N 1 0 320.414 4.086 20 5 DIBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001204657603 1049213706 /nfs/dbraw/zinc/21/37/06/1049213706.db2.gz JKSKHHXICQIFBF-ZDUSSCGKSA-N 1 0 316.323 4.234 20 5 DIBDRO Clc1c2ccccc2c(CN2CCC[NH2+]CC2)c2ccccc12 ZINC001204675139 1049220597 /nfs/dbraw/zinc/22/05/97/1049220597.db2.gz IFWBHHXWTZOOMT-UHFFFAOYSA-N 1 0 324.855 4.442 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC001204681214 1049222821 /nfs/dbraw/zinc/22/28/21/1049222821.db2.gz ITYWLQUBJOKAGV-DZXKJOIRSA-N 1 0 320.458 4.072 20 5 DIBDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001179980509 1049242747 /nfs/dbraw/zinc/24/27/47/1049242747.db2.gz QXYDNLCRLQENKM-LLVKDONJSA-N 1 0 318.339 4.482 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC001180072323 1049275130 /nfs/dbraw/zinc/27/51/30/1049275130.db2.gz RBNPQXDLHHZZFS-MRXNPFEDSA-N 1 0 304.434 4.470 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000485708827 1049318239 /nfs/dbraw/zinc/31/82/39/1049318239.db2.gz NCCYXQNHKFREMB-LBPRGKRZSA-N 1 0 320.339 4.374 20 5 DIBDRO C[C@H]([N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC001180253203 1049321050 /nfs/dbraw/zinc/32/10/50/1049321050.db2.gz HRQVQAHGOKZYGD-JTQLQIEISA-N 1 0 318.339 4.480 20 5 DIBDRO CC[C@H]1CCCC[C@@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001180267497 1049324775 /nfs/dbraw/zinc/32/47/75/1049324775.db2.gz XCEVRJDRPAMGLH-GOEBONIOSA-N 1 0 302.418 4.169 20 5 DIBDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001204975852 1049328598 /nfs/dbraw/zinc/32/85/98/1049328598.db2.gz MMDNJRPMVPJAJC-LIRRHRJNSA-N 1 0 310.397 4.051 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001180317319 1049329985 /nfs/dbraw/zinc/32/99/85/1049329985.db2.gz DKBMLSWRFTXCLT-JCKWVBRZSA-N 1 0 302.418 4.222 20 5 DIBDRO C[C@H](CCC(F)(F)F)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001205007627 1049340207 /nfs/dbraw/zinc/34/02/07/1049340207.db2.gz KYAQYQQSZHQFEK-SECBINFHSA-N 1 0 324.730 4.111 20 5 DIBDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001180348814 1049341935 /nfs/dbraw/zinc/34/19/35/1049341935.db2.gz CRZWBFBNCMILAY-GJZGRUSLSA-N 1 0 310.825 4.205 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC001194478863 1049380190 /nfs/dbraw/zinc/38/01/90/1049380190.db2.gz ZQKUOPQFBVIMHE-GOSISDBHSA-N 1 0 310.397 4.017 20 5 DIBDRO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001180850421 1049412474 /nfs/dbraw/zinc/41/24/74/1049412474.db2.gz YMEOZEMRQUSNPL-ZBFHGGJFSA-N 1 0 304.434 4.332 20 5 DIBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001194790964 1049422129 /nfs/dbraw/zinc/42/21/29/1049422129.db2.gz AVJDAYMLKVTAKP-CABCVRRESA-N 1 0 320.433 4.120 20 5 DIBDRO CC1(C)CC(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001180953335 1049422782 /nfs/dbraw/zinc/42/27/82/1049422782.db2.gz PBSYSRYYVIUYRD-RDJZCZTQSA-N 1 0 316.445 4.332 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCCC[C@H]1C ZINC001194953082 1049454509 /nfs/dbraw/zinc/45/45/09/1049454509.db2.gz IHRLCAUDZJQFBJ-RDTXWAMCSA-N 1 0 320.433 4.440 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCCC1 ZINC001195055166 1049467349 /nfs/dbraw/zinc/46/73/49/1049467349.db2.gz KPRFFDOMGWXOQC-ZDUSSCGKSA-N 1 0 306.406 4.050 20 5 DIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[C@@H](C)C1 ZINC001195179671 1049483977 /nfs/dbraw/zinc/48/39/77/1049483977.db2.gz OHCPSMLATJZGAX-AGIUHOORSA-N 1 0 317.389 4.040 20 5 DIBDRO COc1cc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001195213889 1049498249 /nfs/dbraw/zinc/49/82/49/1049498249.db2.gz LNSXFHACOCORAI-LBPRGKRZSA-N 1 0 324.396 4.001 20 5 DIBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001181807545 1049521467 /nfs/dbraw/zinc/52/14/67/1049521467.db2.gz HDHVCNVXCFMIPJ-CABZTGNLSA-N 1 0 317.216 4.283 20 5 DIBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001195429019 1049533527 /nfs/dbraw/zinc/53/35/27/1049533527.db2.gz ZDAJUEJCEWKXAD-CJNGLKHVSA-N 1 0 320.408 4.382 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001195885476 1049585518 /nfs/dbraw/zinc/58/55/18/1049585518.db2.gz XSGIPQGZSXVPDY-CQSZACIVSA-N 1 0 306.381 4.136 20 5 DIBDRO CC1(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001205881542 1049591419 /nfs/dbraw/zinc/59/14/19/1049591419.db2.gz FLIHCYIEIUQDOL-INIZCTEOSA-N 1 0 302.418 4.355 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC001196040400 1049609218 /nfs/dbraw/zinc/60/92/18/1049609218.db2.gz VWVVBVLWGKRDKB-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001206055733 1049642532 /nfs/dbraw/zinc/64/25/32/1049642532.db2.gz MBSRRLLURPRULW-CHWSQXEVSA-N 1 0 317.389 4.042 20 5 DIBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001182451996 1049656733 /nfs/dbraw/zinc/65/67/33/1049656733.db2.gz IXJHVGSROYNQNS-OUAUKWLOSA-N 1 0 316.323 4.090 20 5 DIBDRO CSCCCCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774353459 1049656997 /nfs/dbraw/zinc/65/69/97/1049656997.db2.gz KFMZYOYSSJVGCK-QGZVFWFLSA-N 1 0 322.474 4.485 20 5 DIBDRO CC[C@@H]([NH3+])Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001206169587 1049673649 /nfs/dbraw/zinc/67/36/49/1049673649.db2.gz SLIDJPMYRLNEAT-CQSZACIVSA-N 1 0 317.392 4.323 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001206239183 1049687312 /nfs/dbraw/zinc/68/73/12/1049687312.db2.gz AYWJRFAKMKSLFF-PBHICJAKSA-N 1 0 304.434 4.474 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCC1CC1 ZINC001182604913 1049693651 /nfs/dbraw/zinc/69/36/51/1049693651.db2.gz NEERSPFWLNHDRB-WBVHZDCISA-N 1 0 302.418 4.086 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCC1CC1 ZINC001182604911 1049693698 /nfs/dbraw/zinc/69/36/98/1049693698.db2.gz NEERSPFWLNHDRB-NVXWUHKLSA-N 1 0 302.418 4.086 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@]12C[C@@H]1CCCC2 ZINC001196879756 1049695243 /nfs/dbraw/zinc/69/52/43/1049695243.db2.gz XNZYLBHYUNLSRG-DETPVDSQSA-N 1 0 308.809 4.307 20 5 DIBDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001207535893 1049906932 /nfs/dbraw/zinc/90/69/32/1049906932.db2.gz OTDPUOZGKHAYPW-RRQGHBQHSA-N 1 0 320.433 4.229 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC001207685000 1049927080 /nfs/dbraw/zinc/92/70/80/1049927080.db2.gz LEPPNFSOTBJEOD-UHFFFAOYSA-N 1 0 316.323 4.139 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000572731566 1050041811 /nfs/dbraw/zinc/04/18/11/1050041811.db2.gz QPSOXVUREVTRKI-MWLCHTKSSA-N 1 0 304.312 4.142 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)ccc1F ZINC000282653409 1050174617 /nfs/dbraw/zinc/17/46/17/1050174617.db2.gz CMHUJAWIFJKQPK-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO O=[N+]([O-])c1cccc(Nc2cccc(C[NH+]3CCCC3)c2)c1F ZINC001210379797 1050225169 /nfs/dbraw/zinc/22/51/69/1050225169.db2.gz KASHMYBWHSHCFJ-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO C[N@H+](CCC(C)(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592144789 1050278192 /nfs/dbraw/zinc/27/81/92/1050278192.db2.gz IUTPZWPTSHJQIZ-UHFFFAOYSA-N 1 0 317.389 4.118 20 5 DIBDRO CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000735085466 1050343950 /nfs/dbraw/zinc/34/39/50/1050343950.db2.gz BLYOEPUALQQLAE-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000735086792 1050344650 /nfs/dbraw/zinc/34/46/50/1050344650.db2.gz SGQHMQGZVCVMNC-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592372536 1050364610 /nfs/dbraw/zinc/36/46/10/1050364610.db2.gz HUZFSOLXQAJTQA-NSHDSACASA-N 1 0 300.349 4.099 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000592364422 1050366154 /nfs/dbraw/zinc/36/61/54/1050366154.db2.gz YLMSVLCWTHCTPU-UHFFFAOYSA-N 1 0 312.360 4.085 20 5 DIBDRO C[C@@H]([NH2+]C1(c2ccccc2F)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000592397099 1050383068 /nfs/dbraw/zinc/38/30/68/1050383068.db2.gz RKHBLDGBBAUBQW-CYBMUJFWSA-N 1 0 314.360 4.464 20 5 DIBDRO C[C@H](F)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000574394330 1050457031 /nfs/dbraw/zinc/45/70/31/1050457031.db2.gz SIDSSZSETMCBPO-SUMWQHHRSA-N 1 0 302.349 4.022 20 5 DIBDRO C[C@@H](F)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000574394327 1050457751 /nfs/dbraw/zinc/45/77/51/1050457751.db2.gz SIDSSZSETMCBPO-CXAGYDPISA-N 1 0 302.349 4.022 20 5 DIBDRO C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000844636996 1050474555 /nfs/dbraw/zinc/47/45/55/1050474555.db2.gz OHLAZQIXTUFDNF-JQWIXIFHSA-N 1 0 317.216 4.219 20 5 DIBDRO CCC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594496091 1050518980 /nfs/dbraw/zinc/51/89/80/1050518980.db2.gz ZZWJEFBFCAQZFE-RDJZCZTQSA-N 1 0 311.385 4.108 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000594516152 1050524743 /nfs/dbraw/zinc/52/47/43/1050524743.db2.gz UFLQIEBKCLKKEE-RDTXWAMCSA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594518621 1050527233 /nfs/dbraw/zinc/52/72/33/1050527233.db2.gz IHROGRZWXYNAOE-DIECRNLCSA-N 1 0 324.371 4.412 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(COC)cs1)c1cccc([N+](=O)[O-])c1 ZINC000594935706 1050575648 /nfs/dbraw/zinc/57/56/48/1050575648.db2.gz GZSWOIDEMFIKKF-INIZCTEOSA-N 1 0 320.414 4.044 20 5 DIBDRO Cc1ccc2cc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000594942638 1050578383 /nfs/dbraw/zinc/57/83/83/1050578383.db2.gz XYBFRSCHWHFWQJ-UHFFFAOYSA-N 1 0 323.396 4.409 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000059388075 1050579046 /nfs/dbraw/zinc/57/90/46/1050579046.db2.gz QDZFJOFHSYEWJD-UHFFFAOYSA-N 1 0 316.788 4.413 20 5 DIBDRO CSCC1(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000594962226 1050584111 /nfs/dbraw/zinc/58/41/11/1050584111.db2.gz DDYLPNFPQYJEFC-UVTDQMKNSA-N 1 0 320.458 4.121 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)C2 ZINC000594983082 1050587328 /nfs/dbraw/zinc/58/73/28/1050587328.db2.gz JVZVKPWGUHCQQY-XIKOKIGWSA-N 1 0 314.360 4.065 20 5 DIBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000594991112 1050590373 /nfs/dbraw/zinc/59/03/73/1050590373.db2.gz ZWLCYTYLBWKXJX-OIYZNWJOSA-N 1 0 306.381 4.114 20 5 DIBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000594991113 1050591108 /nfs/dbraw/zinc/59/11/08/1050591108.db2.gz ZWLCYTYLBWKXJX-PHJDLQJASA-N 1 0 306.381 4.114 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)F)nc1 ZINC000595007099 1050592964 /nfs/dbraw/zinc/59/29/64/1050592964.db2.gz JKGQJZUVXNKZNJ-QWRGUYRKSA-N 1 0 321.327 4.339 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000787416167 1050598234 /nfs/dbraw/zinc/59/82/34/1050598234.db2.gz SQBXEFXNJITORK-UHFFFAOYSA-N 1 0 320.820 4.307 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000595038584 1050600488 /nfs/dbraw/zinc/60/04/88/1050600488.db2.gz LPXKAGPTVPHPSW-WDEREUQCSA-N 1 0 306.387 4.077 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(C(F)F)nc2)cccc1[N+](=O)[O-] ZINC000595043421 1050600653 /nfs/dbraw/zinc/60/06/53/1050600653.db2.gz XZQKGNNIRKHVST-LLVKDONJSA-N 1 0 321.327 4.087 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(F)F ZINC000595032811 1050600713 /nfs/dbraw/zinc/60/07/13/1050600713.db2.gz LASJLOSMRRKNJR-VIFPVBQESA-N 1 0 320.767 4.060 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000595047220 1050602894 /nfs/dbraw/zinc/60/28/94/1050602894.db2.gz CEGCHMFQOXWAIF-KBXCAEBGSA-N 1 0 313.401 4.224 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000595102245 1050608352 /nfs/dbraw/zinc/60/83/52/1050608352.db2.gz DIFJIQMNOKVYLM-QGZVFWFLSA-N 1 0 314.385 4.153 20 5 DIBDRO CSc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000595422382 1050632494 /nfs/dbraw/zinc/63/24/94/1050632494.db2.gz WZLJIBLCXGBMNL-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000595419458 1050633151 /nfs/dbraw/zinc/63/31/51/1050633151.db2.gz YBXQEPHWXVJJQJ-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])ccc1F ZINC000595419298 1050633255 /nfs/dbraw/zinc/63/32/55/1050633255.db2.gz KEUAHAVGJVCDCU-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO C[C@@]1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000846031437 1050651300 /nfs/dbraw/zinc/65/13/00/1050651300.db2.gz CAJXDKAZEKBJNA-OLZOCXBDSA-N 1 0 321.179 4.043 20 5 DIBDRO C[C@@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]1(F)Cl ZINC000846031859 1050651509 /nfs/dbraw/zinc/65/15/09/1050651509.db2.gz CTLLACLZBRCSRL-OLZOCXBDSA-N 1 0 321.179 4.043 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000846055546 1050660532 /nfs/dbraw/zinc/66/05/32/1050660532.db2.gz NDYKJVYGBFNAKM-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000596052781 1050683854 /nfs/dbraw/zinc/68/38/54/1050683854.db2.gz YLNIZTMEIQTQRS-SNVBAGLBSA-N 1 0 304.312 4.224 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1F ZINC000788472186 1050685177 /nfs/dbraw/zinc/68/51/77/1050685177.db2.gz ZSWWCHFUAOUOEQ-INIZCTEOSA-N 1 0 300.333 4.071 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1F ZINC000788472188 1050685313 /nfs/dbraw/zinc/68/53/13/1050685313.db2.gz ZSWWCHFUAOUOEQ-MRXNPFEDSA-N 1 0 300.333 4.071 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846186211 1050687979 /nfs/dbraw/zinc/68/79/79/1050687979.db2.gz AUDZWRWGKJQNJO-TUKIKUTGSA-N 1 0 314.788 4.259 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cccc1[N+](=O)[O-] ZINC000846186316 1050690183 /nfs/dbraw/zinc/69/01/83/1050690183.db2.gz BBALIJMWEXXFQR-NILFDRSVSA-N 1 0 314.788 4.259 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846187470 1050690263 /nfs/dbraw/zinc/69/02/63/1050690263.db2.gz GINADBNUVVSQGC-GLQYFDAESA-N 1 0 314.788 4.259 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000788489847 1050691025 /nfs/dbraw/zinc/69/10/25/1050691025.db2.gz SAMKZGHLNZKYJP-ZDUSSCGKSA-N 1 0 316.376 4.190 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788502925 1050693089 /nfs/dbraw/zinc/69/30/89/1050693089.db2.gz LJHQOSKEKFHBLJ-GUYCJALGSA-N 1 0 313.401 4.369 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563866 1050703102 /nfs/dbraw/zinc/70/31/02/1050703102.db2.gz OFDKNYXPGBBMSG-ZDUSSCGKSA-N 1 0 321.380 4.181 20 5 DIBDRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788582064 1050707557 /nfs/dbraw/zinc/70/75/57/1050707557.db2.gz GFYGSVKFMLWKEB-KFNAQCHYSA-N 1 0 320.458 4.191 20 5 DIBDRO CSC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788583560 1050708208 /nfs/dbraw/zinc/70/82/08/1050708208.db2.gz ANGWOUDWLANZFF-AWEZNQCLSA-N 1 0 308.447 4.048 20 5 DIBDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788576193 1050708714 /nfs/dbraw/zinc/70/87/14/1050708714.db2.gz YGFFTUCOGIEMDS-ZIAGYGMSSA-N 1 0 313.401 4.021 20 5 DIBDRO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788575108 1050709083 /nfs/dbraw/zinc/70/90/83/1050709083.db2.gz CYONAYXWHHWTQL-YVEFUNNKSA-N 1 0 314.385 4.131 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1F ZINC000847020754 1050798526 /nfs/dbraw/zinc/79/85/26/1050798526.db2.gz NLVKIVADLMGCNY-OAHLLOKOSA-N 1 0 306.312 4.114 20 5 DIBDRO Cc1cccc(F)c1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000742381567 1050824865 /nfs/dbraw/zinc/82/48/65/1050824865.db2.gz XBRWUKMBXUFJTM-UHFFFAOYSA-N 1 0 316.376 4.456 20 5 DIBDRO Cc1ccccc1C1CC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000742385212 1050826917 /nfs/dbraw/zinc/82/69/17/1050826917.db2.gz SLZFTQXLOWWNGR-UHFFFAOYSA-N 1 0 310.397 4.247 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc[nH]1 ZINC000773124353 1051071407 /nfs/dbraw/zinc/07/14/07/1051071407.db2.gz XQNNKJFMXMFFQT-QWHCGFSZSA-N 1 0 319.430 4.144 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000036992533 1051105556 /nfs/dbraw/zinc/10/55/56/1051105556.db2.gz CYSGOORECKRWBB-CHWSQXEVSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)cc1[N+](=O)[O-] ZINC001171632302 1051175633 /nfs/dbraw/zinc/17/56/33/1051175633.db2.gz XIFLZPWIXDLPCZ-QGZVFWFLSA-N 1 0 302.418 4.448 20 5 DIBDRO CCCC(CCC)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170309201 1051187838 /nfs/dbraw/zinc/18/78/38/1051187838.db2.gz PEIZSSGDKJQBGH-CYBMUJFWSA-N 1 0 308.422 4.093 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NC1CC(C)(C)OC(C)(C)C1 ZINC001170361465 1051191280 /nfs/dbraw/zinc/19/12/80/1051191280.db2.gz MSQOYAWEAJZIAF-UHFFFAOYSA-N 1 0 319.513 4.431 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccccc2F)cc1Cl ZINC000793348183 1051290562 /nfs/dbraw/zinc/29/05/62/1051290562.db2.gz UQDOOOMGNGKUNA-UHFFFAOYSA-N 1 0 322.767 4.110 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+](C2CCCC2)CC1 ZINC000804533598 1051443595 /nfs/dbraw/zinc/44/35/95/1051443595.db2.gz GVJHOVRINVYVJV-UHFFFAOYSA-N 1 0 323.824 4.067 20 5 DIBDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC001168813313 1051444119 /nfs/dbraw/zinc/44/41/19/1051444119.db2.gz PYZRFDREDCXHOS-ZDUSSCGKSA-N 1 0 316.376 4.190 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC2=CCCCC2)C2CC2)cc1 ZINC001168848309 1051455838 /nfs/dbraw/zinc/45/58/38/1051455838.db2.gz LKQPHBZUHWGLHA-UHFFFAOYSA-N 1 0 300.402 4.450 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)c(F)c1 ZINC001168919431 1051468332 /nfs/dbraw/zinc/46/83/32/1051468332.db2.gz ZQTKXXZFRZBQGG-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001168979150 1051477087 /nfs/dbraw/zinc/47/70/87/1051477087.db2.gz CNBPJEKYQMVXKE-HOTGVXAUSA-N 1 0 320.433 4.442 20 5 DIBDRO CC(C)CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168995643 1051484589 /nfs/dbraw/zinc/48/45/89/1051484589.db2.gz SIFDSLYUCUMYMG-KBPBESRZSA-N 1 0 318.408 4.016 20 5 DIBDRO N[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1F ZINC001206174159 1051490094 /nfs/dbraw/zinc/49/00/94/1051490094.db2.gz MAEKKDHQUCQJIH-LEWJYISDSA-N 1 0 322.427 4.254 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001168988368 1051491639 /nfs/dbraw/zinc/49/16/39/1051491639.db2.gz RHJBAVQIVYUDDS-OUAUKWLOSA-N 1 0 317.216 4.089 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001169037457 1051493432 /nfs/dbraw/zinc/49/34/32/1051493432.db2.gz RXKYOKWPIDVGAB-PMACEKPBSA-N 1 0 324.424 4.134 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCc3ccccc31)CC2 ZINC001172900741 1051551724 /nfs/dbraw/zinc/55/17/24/1051551724.db2.gz ZBQZWOUERKHYJO-YLJYHZDGSA-N 1 0 322.408 4.119 20 5 DIBDRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901981 1051552038 /nfs/dbraw/zinc/55/20/38/1051552038.db2.gz RXYGXEUESLAOSL-WMLDXEAASA-N 1 0 304.434 4.257 20 5 DIBDRO C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902822 1051552067 /nfs/dbraw/zinc/55/20/67/1051552067.db2.gz CUEAOHCGKNLEBY-SJLPKXTDSA-N 1 0 320.408 4.056 20 5 DIBDRO C=Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172899615 1051552258 /nfs/dbraw/zinc/55/22/58/1051552258.db2.gz BBJJRJSYEMOIBG-IBGZPJMESA-N 1 0 322.408 4.275 20 5 DIBDRO C[C@@H]1CCC[C@@H](C)[NH+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905033 1051554425 /nfs/dbraw/zinc/55/44/25/1051554425.db2.gz BTQJKRBYSYSFGN-CPUCHLNUSA-N 1 0 302.418 4.105 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCCC1(F)F)CC2 ZINC001172913633 1051569188 /nfs/dbraw/zinc/56/91/88/1051569188.db2.gz YBODSXXGMJEAOZ-GDBMZVCRSA-N 1 0 324.371 4.010 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CCCC1 ZINC001172913087 1051580155 /nfs/dbraw/zinc/58/01/55/1051580155.db2.gz TWFBHHHXLGRMTK-SUMWQHHRSA-N 1 0 302.418 4.011 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCc2ccccc21 ZINC000761506925 1051582384 /nfs/dbraw/zinc/58/23/84/1051582384.db2.gz PWSYYTCMOYETSF-INIZCTEOSA-N 1 0 316.788 4.368 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCC3(CCC3)C1)CC2 ZINC001172913199 1051583703 /nfs/dbraw/zinc/58/37/03/1051583703.db2.gz PYVMZZUNYTUCOG-QGZVFWFLSA-N 1 0 314.429 4.108 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccn1 ZINC000761520190 1051587624 /nfs/dbraw/zinc/58/76/24/1051587624.db2.gz MMWAUBPZMWDBLX-AWEZNQCLSA-N 1 0 319.792 4.274 20 5 DIBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001170479337 1051633991 /nfs/dbraw/zinc/63/39/91/1051633991.db2.gz IMNSEJXCOMKBCA-MRXNPFEDSA-N 1 0 312.360 4.274 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2occc2c1 ZINC001173217953 1051635107 /nfs/dbraw/zinc/63/51/07/1051635107.db2.gz NRKYIMPBYJTVPC-CYBMUJFWSA-N 1 0 310.353 4.062 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC001173216638 1051635265 /nfs/dbraw/zinc/63/52/65/1051635265.db2.gz MIWOGYAIZDDIAQ-KUHUBIRLSA-N 1 0 310.397 4.267 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2[C@H]1C ZINC001173223945 1051637245 /nfs/dbraw/zinc/63/72/45/1051637245.db2.gz BXDVNRITODJNJD-LSDHHAIUSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001173227535 1051638097 /nfs/dbraw/zinc/63/80/97/1051638097.db2.gz GTEBSZDKBSULTN-UIAACRFSSA-N 1 0 324.424 4.452 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001173226317 1051638283 /nfs/dbraw/zinc/63/82/83/1051638283.db2.gz IDEILIOMEZKWEM-DNVCBOLYSA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCc1ccccc1 ZINC001173227089 1051638376 /nfs/dbraw/zinc/63/83/76/1051638376.db2.gz NXJAHUJUYUZARR-INIZCTEOSA-N 1 0 312.413 4.090 20 5 DIBDRO C[C@H]([NH3+])c1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173228266 1051638692 /nfs/dbraw/zinc/63/86/92/1051638692.db2.gz ILMGKBHKKXDUPF-KBPBESRZSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@@H]([NH3+])c1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173228271 1051638955 /nfs/dbraw/zinc/63/89/55/1051638955.db2.gz ILMGKBHKKXDUPF-ZIAGYGMSSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001173226769 1051639594 /nfs/dbraw/zinc/63/95/94/1051639594.db2.gz LFDVKNKYEGGHQV-QFBILLFUSA-N 1 0 324.424 4.405 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001173234239 1051640538 /nfs/dbraw/zinc/64/05/38/1051640538.db2.gz QHUQEBMICCKAGP-ZBFHGGJFSA-N 1 0 320.408 4.130 20 5 DIBDRO Cc1ccc(CC[N@@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173232882 1051640726 /nfs/dbraw/zinc/64/07/26/1051640726.db2.gz ITSUGMYKTRKMSB-MRXNPFEDSA-N 1 0 312.413 4.009 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](Cc1ccccc1)C1CC1 ZINC001173232787 1051640762 /nfs/dbraw/zinc/64/07/62/1051640762.db2.gz HWYFSVBFXIYXTM-OAHLLOKOSA-N 1 0 310.397 4.190 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001173234016 1051640861 /nfs/dbraw/zinc/64/08/61/1051640861.db2.gz OANFVBDVLBAIAD-HFTRVMKXSA-N 1 0 302.418 4.180 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001173234057 1051641958 /nfs/dbraw/zinc/64/19/58/1051641958.db2.gz PCGMTYPGZPFEOR-OIISXLGYSA-N 1 0 302.418 4.038 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1C1CC1 ZINC001173213879 1051649042 /nfs/dbraw/zinc/64/90/42/1051649042.db2.gz LOHZITKFJJGWHR-AWEZNQCLSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001173211613 1051649955 /nfs/dbraw/zinc/64/99/55/1051649955.db2.gz UIJYDBJAYSJDHT-LBPRGKRZSA-N 1 0 320.339 4.253 20 5 DIBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H](C(F)(F)F)C1 ZINC000494107255 1051691006 /nfs/dbraw/zinc/69/10/06/1051691006.db2.gz MAPOWGQZCZENCZ-VIFPVBQESA-N 1 0 322.714 4.023 20 5 DIBDRO Cc1c(C[NH2+]C2(c3ccc(F)cc3)CCC2)cccc1[N+](=O)[O-] ZINC000609194378 1051883319 /nfs/dbraw/zinc/88/33/19/1051883319.db2.gz VXDQNFKWXGBHIM-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000609204414 1051892201 /nfs/dbraw/zinc/89/22/01/1051892201.db2.gz NAVLUSGRXWGPPQ-QWHCGFSZSA-N 1 0 306.406 4.002 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000609204279 1051891753 /nfs/dbraw/zinc/89/17/53/1051891753.db2.gz DARBXSGNSWGNMO-CHWSQXEVSA-N 1 0 306.406 4.002 20 5 DIBDRO C[C@@H](CCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494470429 1051899015 /nfs/dbraw/zinc/89/90/15/1051899015.db2.gz VDFSWCAQPWWLHX-JTQLQIEISA-N 1 0 316.323 4.282 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC001170527563 1051910304 /nfs/dbraw/zinc/91/03/04/1051910304.db2.gz KJDGVJKPSWJSQI-MQBCKMQZSA-N 1 0 318.417 4.050 20 5 DIBDRO Cc1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001174282587 1052069028 /nfs/dbraw/zinc/06/90/28/1052069028.db2.gz HEZQPZLYVYYCLQ-UHFFFAOYSA-N 1 0 300.365 4.417 20 5 DIBDRO C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1CCOC1 ZINC000769533380 1052077018 /nfs/dbraw/zinc/07/70/18/1052077018.db2.gz NPVRNHYORDATBV-INIZCTEOSA-N 1 0 305.421 4.461 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@@H]1CCCC[NH2+]C1 ZINC001217770101 1052138176 /nfs/dbraw/zinc/13/81/76/1052138176.db2.gz MXFMKMLQCPEKIZ-OAHLLOKOSA-N 1 0 306.409 4.047 20 5 DIBDRO C[C@@H](OCc1c2ccccc2nc2ccccc21)C1CC[NH2+]CC1 ZINC001217779981 1052141830 /nfs/dbraw/zinc/14/18/30/1052141830.db2.gz ZCDWPDCICGLZQN-OAHLLOKOSA-N 1 0 320.436 4.293 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000494848056 1052150314 /nfs/dbraw/zinc/15/03/14/1052150314.db2.gz RBJRDSKYRRMDPW-FZKGZDJFSA-N 1 0 316.323 4.319 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001217880715 1052163039 /nfs/dbraw/zinc/16/30/39/1052163039.db2.gz ISXWSJIDCBYFTE-LKUPVBHCSA-N 1 0 303.405 4.118 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001217989536 1052181449 /nfs/dbraw/zinc/18/14/49/1052181449.db2.gz MQRNCLBJGRTQBM-IFXJQAMLSA-N 1 0 321.420 4.466 20 5 DIBDRO F[C@@H]1CC[NH2+]CC[C@H]1Oc1c2ccccc2cc2ccccc21 ZINC001218024109 1052186997 /nfs/dbraw/zinc/18/69/97/1052186997.db2.gz LRAXDVROOHUNIB-RTBURBONSA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218025267 1052187008 /nfs/dbraw/zinc/18/70/08/1052187008.db2.gz SFQYAYCYXJEMPR-KBXCAEBGSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218028492 1052187086 /nfs/dbraw/zinc/18/70/86/1052187086.db2.gz VDKMZGZUIOCYPN-LIRRHRJNSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218028323 1052187101 /nfs/dbraw/zinc/18/71/01/1052187101.db2.gz FGYLGVINYAPMFI-KUHUBIRLSA-N 1 0 306.409 4.155 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4CC[NH2+]C[C@H]4F)c3c2n1 ZINC001218073108 1052192341 /nfs/dbraw/zinc/19/23/41/1052192341.db2.gz YWURGIATTRTVRR-IAGOWNOFSA-N 1 0 324.399 4.084 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218097251 1052196201 /nfs/dbraw/zinc/19/62/01/1052196201.db2.gz SFJSDLXASMDADW-TZIWHRDSSA-N 1 0 318.420 4.299 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000495017997 1052198796 /nfs/dbraw/zinc/19/87/96/1052198796.db2.gz MMWNSFNSMUEALK-STQMWFEESA-N 1 0 312.360 4.461 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2O[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001218133208 1052201376 /nfs/dbraw/zinc/20/13/76/1052201376.db2.gz AEPFEMIOCDEDOR-BCDXTJNWSA-N 1 0 303.405 4.370 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC001218184790 1052203685 /nfs/dbraw/zinc/20/36/85/1052203685.db2.gz PXOIOKOFPOFEKU-FVQHAEBGSA-N 1 0 304.393 4.050 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc12 ZINC001218185960 1052204536 /nfs/dbraw/zinc/20/45/36/1052204536.db2.gz JXZFGDIXGVSZSC-FICVDOATSA-N 1 0 319.404 4.360 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262222 1052215825 /nfs/dbraw/zinc/21/58/25/1052215825.db2.gz DBWVCUFLJCGZRT-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@H]3CC[NH2+]C4(CCC4)C3)c12 ZINC001218306505 1052221997 /nfs/dbraw/zinc/22/19/97/1052221997.db2.gz KBBLQTOJZHESKZ-KRWDZBQOSA-N 1 0 318.420 4.442 20 5 DIBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218312258 1052222982 /nfs/dbraw/zinc/22/29/82/1052222982.db2.gz VCNCPVWERUYVPS-SFHVURJKSA-N 1 0 306.409 4.155 20 5 DIBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218312190 1052223506 /nfs/dbraw/zinc/22/35/06/1052223506.db2.gz UPAKZLLYQLLGHU-SFHVURJKSA-N 1 0 306.409 4.155 20 5 DIBDRO FC1(F)CC[NH2+]C[C@@H]1Oc1c2ccccc2cc2ccccc21 ZINC001218450957 1052240313 /nfs/dbraw/zinc/24/03/13/1052240313.db2.gz ATXPXFFZPBAGHA-KRWDZBQOSA-N 1 0 313.347 4.369 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218465844 1052242770 /nfs/dbraw/zinc/24/27/70/1052242770.db2.gz JYVIOEOJVUSQIZ-LSTHTHJFSA-N 1 0 303.405 4.370 20 5 DIBDRO CC1(C)C[C@H](Oc2nc3ccccc3c3ccccc32)CC[NH2+]1 ZINC001218475527 1052245093 /nfs/dbraw/zinc/24/50/93/1052245093.db2.gz MCFSVXUVWWSURC-CQSZACIVSA-N 1 0 306.409 4.297 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4C[NH2+]CC[C@H]4C)c3c2n1 ZINC001218483193 1052245822 /nfs/dbraw/zinc/24/58/22/1052245822.db2.gz JRAJANDNSZVVEE-YJYMSZOUSA-N 1 0 320.436 4.382 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4C[C@H]5C[NH2+][C@@H]4C5)c3c2n1 ZINC001218494492 1052251451 /nfs/dbraw/zinc/25/14/51/1052251451.db2.gz UJXJCKWNLXMIOH-POZUXBRTSA-N 1 0 318.420 4.134 20 5 DIBDRO Cc1cc2cc3cc(C)c(NC=CC(C)(C)O)cc3[nH+]c2cc1N ZINC001203226469 1052351907 /nfs/dbraw/zinc/35/19/07/1052351907.db2.gz CKINJRYFGCADGB-AATRIKPKSA-N 1 0 321.424 4.284 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCc2ccccc21 ZINC000495440123 1052352186 /nfs/dbraw/zinc/35/21/86/1052352186.db2.gz OWSBQZJSLXNDOM-MRXNPFEDSA-N 1 0 316.788 4.068 20 5 DIBDRO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000487951882 1052396767 /nfs/dbraw/zinc/39/67/67/1052396767.db2.gz CDULKDJNDDCLJA-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CN1CC[C@@]12CCC[NH2+]C2 ZINC001222196727 1052459952 /nfs/dbraw/zinc/45/99/52/1052459952.db2.gz BQDFMEIDEQHQGM-JOCHJYFZSA-N 1 0 316.448 4.321 20 5 DIBDRO c1cc2ccc3ccc(CN4CCC45C[NH2+]C5)c4ccc(c1)c2c34 ZINC001222304189 1052478014 /nfs/dbraw/zinc/47/80/14/1052478014.db2.gz ZGQYTGMYFYBJIS-UHFFFAOYSA-N 1 0 312.416 4.132 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1sc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000194384480 1052538618 /nfs/dbraw/zinc/53/86/18/1052538618.db2.gz HVMUQXJRQYNQLF-ABAIWWIYSA-N 1 0 319.430 4.470 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000194384366 1052538697 /nfs/dbraw/zinc/53/86/97/1052538697.db2.gz NFZPKLVTDNRDQO-QWRGUYRKSA-N 1 0 319.430 4.388 20 5 DIBDRO Cc1ccc(COC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001223225633 1052581009 /nfs/dbraw/zinc/58/10/09/1052581009.db2.gz SVQBOSXPAIVPDZ-UHFFFAOYSA-N 1 0 320.433 4.071 20 5 DIBDRO C[N@@H+]1CCC[C@H](OCc2c3ccccc3nc3ccccc32)CC1 ZINC001223334989 1052589782 /nfs/dbraw/zinc/58/97/82/1052589782.db2.gz LNXKFADBRHMWOZ-INIZCTEOSA-N 1 0 320.436 4.389 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000763394867 1052624032 /nfs/dbraw/zinc/62/40/32/1052624032.db2.gz GDRCCIWSURMEBW-INIZCTEOSA-N 1 0 302.761 4.025 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cccc([N+](=O)[O-])c1 ZINC000154610346 1052773887 /nfs/dbraw/zinc/77/38/87/1052773887.db2.gz BJBQJLXWFNLXLF-DYZYQPBXSA-N 1 0 318.323 4.211 20 5 DIBDRO CC(C)c1cc(Br)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225383929 1052783007 /nfs/dbraw/zinc/78/30/07/1052783007.db2.gz IXGJOXOCGDKEKE-GFCCVEGCSA-N 1 0 315.275 4.046 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000194760963 1052839398 /nfs/dbraw/zinc/83/93/98/1052839398.db2.gz NRLOYWMOQMZZJF-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO C[NH+](C)C1CCC(Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001226445335 1052896827 /nfs/dbraw/zinc/89/68/27/1052896827.db2.gz CYFLWRSLRVPUNK-UHFFFAOYSA-N 1 0 320.433 4.144 20 5 DIBDRO Cc1cc(O[C@@H](CC[NH+](C)C)c2cccs2)ccc1[N+](=O)[O-] ZINC001226841040 1052936894 /nfs/dbraw/zinc/93/68/94/1052936894.db2.gz IYLNNNGUDREUJD-HNNXBMFYSA-N 1 0 320.414 4.037 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000609544979 1052982646 /nfs/dbraw/zinc/98/26/46/1052982646.db2.gz HFILIRPXSXDXCF-ROUUACIJSA-N 1 0 310.397 4.329 20 5 DIBDRO CC[C@H]1c2ccccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000609625697 1052984592 /nfs/dbraw/zinc/98/45/92/1052984592.db2.gz PGBQCUUUUXKVLF-IBGZPJMESA-N 1 0 310.397 4.147 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609672584 1052986309 /nfs/dbraw/zinc/98/63/09/1052986309.db2.gz QQCHMEVSFCTPRU-UKRRQHHQSA-N 1 0 314.360 4.112 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000609672996 1052987101 /nfs/dbraw/zinc/98/71/01/1052987101.db2.gz CDAQJLBHMBCGKT-UHFFFAOYSA-N 1 0 314.360 4.146 20 5 DIBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc3ccc4cccnc4c32)C1 ZINC001227765465 1053015272 /nfs/dbraw/zinc/01/52/72/1053015272.db2.gz VVJGQHUYVPHZMU-QGZVFWFLSA-N 1 0 306.409 4.250 20 5 DIBDRO Cc1c(C[NH2+]C2(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000179674444 1053020685 /nfs/dbraw/zinc/02/06/85/1053020685.db2.gz GEELROMATUPMRD-UHFFFAOYSA-N 1 0 316.788 4.336 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179795347 1053028070 /nfs/dbraw/zinc/02/80/70/1053028070.db2.gz YLMWIVIDSYBISA-INIZCTEOSA-N 1 0 320.339 4.422 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000237832541 1053031139 /nfs/dbraw/zinc/03/11/39/1053031139.db2.gz MDXRURFAHYXYKZ-QGZVFWFLSA-N 1 0 316.788 4.489 20 5 DIBDRO CC[N@H+](CCC(F)(F)F)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615834446 1053033209 /nfs/dbraw/zinc/03/32/09/1053033209.db2.gz UZHANKKZXIGQRZ-XFXZXTDPSA-N 1 0 316.323 4.272 20 5 DIBDRO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1ccoc1 ZINC000615834437 1053033251 /nfs/dbraw/zinc/03/32/51/1053033251.db2.gz SMIHGPGYUSXXRH-ZROIWOOFSA-N 1 0 300.358 4.113 20 5 DIBDRO O[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)c1ccco1 ZINC000237956538 1053043833 /nfs/dbraw/zinc/04/38/33/1053043833.db2.gz XRIFDABIHSZZLS-HXUWFJFHSA-N 1 0 317.388 4.409 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000616357130 1053054030 /nfs/dbraw/zinc/05/40/30/1053054030.db2.gz JYVFJYLCFPNVNX-YJYMSZOUSA-N 1 0 310.397 4.316 20 5 DIBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000180859101 1053099389 /nfs/dbraw/zinc/09/93/89/1053099389.db2.gz FASNNKXTWNZXOD-QAPCUYQASA-N 1 0 305.421 4.196 20 5 DIBDRO CC(C)[NH+]1CCC(Oc2cccc3nc4ccccc4nc32)CC1 ZINC001228524128 1053124284 /nfs/dbraw/zinc/12/42/84/1053124284.db2.gz YNALHGBKFHIAQI-UHFFFAOYSA-N 1 0 321.424 4.035 20 5 DIBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001318412820 1053166926 /nfs/dbraw/zinc/16/69/26/1053166926.db2.gz GQPUEDXNQCQASH-MNOVXSKESA-N 1 0 320.776 4.254 20 5 DIBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001318412824 1053167083 /nfs/dbraw/zinc/16/70/83/1053167083.db2.gz GQPUEDXNQCQASH-WDEREUQCSA-N 1 0 320.776 4.254 20 5 DIBDRO Cc1cc(O[C@@H](CC[NH+](C)C)c2cccs2)cc([N+](=O)[O-])c1 ZINC001228833833 1053189389 /nfs/dbraw/zinc/18/93/89/1053189389.db2.gz RRKJYORQOSBONP-HNNXBMFYSA-N 1 0 320.414 4.037 20 5 DIBDRO Cc1c(C[NH2+]Cc2ccc(C(F)F)c(F)c2)cccc1[N+](=O)[O-] ZINC001352021676 1053259748 /nfs/dbraw/zinc/25/97/48/1053259748.db2.gz GQKMGJBQYKZZFF-UHFFFAOYSA-N 1 0 324.302 4.270 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC001319836799 1053278535 /nfs/dbraw/zinc/27/85/35/1053278535.db2.gz PZNLVEWFCQFCPD-UHFFFAOYSA-N 1 0 306.749 4.150 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000618565264 1053326060 /nfs/dbraw/zinc/32/60/60/1053326060.db2.gz MGMGBEQWLYRCAF-MRXNPFEDSA-N 1 0 302.399 4.132 20 5 DIBDRO C[C@H](c1cccc(O[C@@H](C)c2ccccc2[N+](=O)[O-])c1)[NH+](C)C ZINC001229627711 1053368975 /nfs/dbraw/zinc/36/89/75/1053368975.db2.gz QYJMAEINMUYQHP-KGLIPLIRSA-N 1 0 314.385 4.357 20 5 DIBDRO CC(C)([NH2+]Cc1cc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000618967850 1053408262 /nfs/dbraw/zinc/40/82/62/1053408262.db2.gz XHSJCLGNIWOWSX-UHFFFAOYSA-N 1 0 309.369 4.101 20 5 DIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618988721 1053417376 /nfs/dbraw/zinc/41/73/76/1053417376.db2.gz WWNVBSZBHKRYGX-HZMBPMFUSA-N 1 0 310.344 4.095 20 5 DIBDRO C[N@@H+]1CCC[C@@H](Oc2nccc3c4ccccc4ccc32)CC1 ZINC001230203278 1053492881 /nfs/dbraw/zinc/49/28/81/1053492881.db2.gz LHRJGUJFNXJWAU-MRXNPFEDSA-N 1 0 306.409 4.251 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000619611339 1053519112 /nfs/dbraw/zinc/51/91/12/1053519112.db2.gz PWIHURGIGVVJPA-CJNGLKHVSA-N 1 0 311.385 4.026 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Br)c2ccccc2c1 ZINC001231017950 1053652496 /nfs/dbraw/zinc/65/24/96/1053652496.db2.gz XLFZUDAEZFTUAK-GFCCVEGCSA-N 1 0 323.254 4.076 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001327606784 1053865822 /nfs/dbraw/zinc/86/58/22/1053865822.db2.gz LHKBJUKXELFAHA-BVUBDWEXSA-N 1 0 324.371 4.459 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001327607499 1053868204 /nfs/dbraw/zinc/86/82/04/1053868204.db2.gz OWXUAPXNFYCQCX-RZFFKMDDSA-N 1 0 310.344 4.069 20 5 DIBDRO CCC[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183992637 1053895708 /nfs/dbraw/zinc/89/57/08/1053895708.db2.gz IHAYRDLKQLSKQW-MSOLQXFVSA-N 1 0 320.433 4.375 20 5 DIBDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001200803201 1053988772 /nfs/dbraw/zinc/98/87/72/1053988772.db2.gz PEGMYTDXNIONFA-MRXNPFEDSA-N 1 0 312.413 4.241 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3C[C@@H]4CCC[C@H]4C3)nc12 ZINC001232218890 1053992302 /nfs/dbraw/zinc/99/23/02/1053992302.db2.gz ODGVDBQFIQZFRK-IRXDYDNUSA-N 1 0 303.409 4.015 20 5 DIBDRO F[C@H]1CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232217972 1053993259 /nfs/dbraw/zinc/99/32/59/1053993259.db2.gz CJFQSCSPSRUDBC-INIZCTEOSA-N 1 0 309.388 4.107 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCC4(CCC4)C3)nc12 ZINC001232223034 1053996308 /nfs/dbraw/zinc/99/63/08/1053996308.db2.gz JHUXLSNQFCIXAX-UHFFFAOYSA-N 1 0 303.409 4.159 20 5 DIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232223502 1053996579 /nfs/dbraw/zinc/99/65/79/1053996579.db2.gz OKDGGVCZZIBXHT-GASCZTMLSA-N 1 0 305.425 4.261 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC4CCC3CC4)nc12 ZINC001232224172 1053996630 /nfs/dbraw/zinc/99/66/30/1053996630.db2.gz ZOMCVWDGLRYBBL-UHFFFAOYSA-N 1 0 303.409 4.157 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cc(Br)ccc21 ZINC001233721224 1054341922 /nfs/dbraw/zinc/34/19/22/1054341922.db2.gz HDMPACAHQQQBJQ-GFCCVEGCSA-N 1 0 323.254 4.076 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001233919914 1054387808 /nfs/dbraw/zinc/38/78/08/1054387808.db2.gz WXVRGSWUVVHTSR-LBPRGKRZSA-N 1 0 324.366 4.244 20 5 DIBDRO CC(C)c1cc(O[C@@H](C)C[N+](C)(C)C)ccc1Br ZINC001234670283 1054574212 /nfs/dbraw/zinc/57/42/12/1054574212.db2.gz ZAANRPVHDUNIFE-LBPRGKRZSA-N 1 0 315.275 4.046 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090918441 1054738994 /nfs/dbraw/zinc/73/89/94/1054738994.db2.gz UDCRALCZCASCIO-GUYCJALGSA-N 1 0 314.385 4.405 20 5 DIBDRO [NH3+][C@@H]1CN(Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1F ZINC001235894235 1054833168 /nfs/dbraw/zinc/83/31/68/1054833168.db2.gz WVFXAHQZHHHRDX-RBUKOAKNSA-N 1 0 318.395 4.065 20 5 DIBDRO Clc1c2ccccc2c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c2ccccc12 ZINC001236297304 1055050532 /nfs/dbraw/zinc/05/05/32/1055050532.db2.gz UYJXKGRKRVNXGC-DJJJIMSYSA-N 1 0 322.839 4.050 20 5 DIBDRO C[C@H]([NH3+])CN(C)Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001236885290 1055302526 /nfs/dbraw/zinc/30/25/26/1055302526.db2.gz CRYAUUBKYXJQKT-AWEZNQCLSA-N 1 0 302.421 4.363 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C2(C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001620865471 1055491484 /nfs/dbraw/zinc/49/14/84/1055491484.db2.gz VOFQKTKZZSFPKL-UHFFFAOYSA-N 1 0 324.424 4.365 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1C(C)(C)C1(C)C ZINC001620910891 1055535764 /nfs/dbraw/zinc/53/57/64/1055535764.db2.gz MDLKTGXQIQSOGL-UKTHLTGXSA-N 1 0 302.418 4.270 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC001620951529 1055568417 /nfs/dbraw/zinc/56/84/17/1055568417.db2.gz OUPUAWDYMSIXHW-UHFFFAOYSA-N 1 0 310.397 4.108 20 5 DIBDRO Cc1c(C[N@@H+]2CCc3ccsc3[C@H]2C)cccc1[N+](=O)[O-] ZINC001620547449 1055964051 /nfs/dbraw/zinc/96/40/51/1055964051.db2.gz PDJIDDKUHHFPNP-GFCCVEGCSA-N 1 0 302.399 4.084 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001620540226 1055964467 /nfs/dbraw/zinc/96/44/67/1055964467.db2.gz JZGVIVUYHPZVOO-LJQANCHMSA-N 1 0 310.397 4.414 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC001620569892 1055967387 /nfs/dbraw/zinc/96/73/87/1055967387.db2.gz RUBPAHQVTRYONZ-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc(F)c(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001621339617 1056045246 /nfs/dbraw/zinc/04/52/46/1056045246.db2.gz OKSSLGWKUMRQDJ-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO C[C@H]([NH2+]CCCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC001168605499 1056055582 /nfs/dbraw/zinc/05/55/82/1056055582.db2.gz XPNBEJQSHKKNOJ-LBPRGKRZSA-N 1 0 320.339 4.156 20 5 DIBDRO Cc1ccc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001611805689 1056193386 /nfs/dbraw/zinc/19/33/86/1056193386.db2.gz GAZXHSYLUCFMJA-HOTGVXAUSA-N 1 0 319.449 4.073 20 5 DIBDRO CC[NH+](CC)[C@H](C)CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001612343556 1056275851 /nfs/dbraw/zinc/27/58/51/1056275851.db2.gz YGHVGQVKXBFBPX-SECBINFHSA-N 1 0 320.220 4.044 20 5 DIBDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000554309478 1056354135 /nfs/dbraw/zinc/35/41/35/1056354135.db2.gz RJYGHQXPGBCKIT-QGZVFWFLSA-N 1 0 314.385 4.187 20 5 DIBDRO COCC(C)(C)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000554370152 1056356236 /nfs/dbraw/zinc/35/62/36/1056356236.db2.gz KMSLQNGJSBWAQY-CQSZACIVSA-N 1 0 308.422 4.007 20 5 DIBDRO Cn1nccc1CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000186454977 1056445629 /nfs/dbraw/zinc/44/56/29/1056445629.db2.gz ZUNXFWJIWNXUIU-UHFFFAOYSA-N 1 0 315.420 4.059 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(F)cc(F)c1 ZINC001615272063 1056484163 /nfs/dbraw/zinc/48/41/63/1056484163.db2.gz HETDMEXUIWCSQZ-UHFFFAOYSA-N 1 0 320.339 4.284 20 5 DIBDRO CCC1(C)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC001615354178 1056497732 /nfs/dbraw/zinc/49/77/32/1056497732.db2.gz HTKBHUUINADXBK-UHFFFAOYSA-N 1 0 320.433 4.394 20 5 DIBDRO c1ccc2cc3c(cc2c1)ncnc3-c1ccc2c(c1)CC[NH2+]C2 ZINC001240453428 1056518203 /nfs/dbraw/zinc/51/82/03/1056518203.db2.gz BXNIVZLTZFUJPG-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO Cc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC001615648164 1056552892 /nfs/dbraw/zinc/55/28/92/1056552892.db2.gz DYYVBYBOWWNNER-GUYCJALGSA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC001615648162 1056552933 /nfs/dbraw/zinc/55/29/33/1056552933.db2.gz DYYVBYBOWWNNER-DYVFJYSZSA-N 1 0 314.385 4.469 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC1CCCCCC1)CC2 ZINC001615846198 1056584831 /nfs/dbraw/zinc/58/48/31/1056584831.db2.gz GYDBWMJXEHFVTQ-UHFFFAOYSA-N 1 0 302.418 4.313 20 5 DIBDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001616151065 1056614498 /nfs/dbraw/zinc/61/44/98/1056614498.db2.gz DNTLSJATJKHYMX-LLVKDONJSA-N 1 0 316.854 4.212 20 5 DIBDRO c1ccc2cc3cc(-c4ncnc5c4CC[NH2+]C5)ccc3cc2c1 ZINC001240679677 1056637132 /nfs/dbraw/zinc/63/71/32/1056637132.db2.gz HLLQKBKMJABEHG-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000077467927 1056745793 /nfs/dbraw/zinc/74/57/93/1056745793.db2.gz UBNQALWBMBHOEK-UHFFFAOYSA-N 1 0 316.788 4.336 20 5 DIBDRO CCC1(CC)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCS1 ZINC001617024025 1056760918 /nfs/dbraw/zinc/76/09/18/1056760918.db2.gz QDTBTPFYXFUCTC-UHFFFAOYSA-N 1 0 308.447 4.011 20 5 DIBDRO CC(C)c1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001617464448 1056837110 /nfs/dbraw/zinc/83/71/10/1056837110.db2.gz BSTMYAXETBSGIY-UHFFFAOYSA-N 1 0 312.413 4.393 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCCC1 ZINC001617901734 1056899526 /nfs/dbraw/zinc/89/95/26/1056899526.db2.gz KPRFFDOMGWXOQC-CYBMUJFWSA-N 1 0 306.406 4.050 20 5 DIBDRO c1ccc2c(c1)cc(-c1nccc(C3C[NH2+]C3)n1)c1ccccc21 ZINC001241131670 1056914385 /nfs/dbraw/zinc/91/43/85/1056914385.db2.gz DXSYYQAOQMWVLJ-UHFFFAOYSA-N 1 0 311.388 4.137 20 5 DIBDRO CCCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001618214868 1056936121 /nfs/dbraw/zinc/93/61/21/1056936121.db2.gz RGZSZDKKYCABGL-GDBMZVCRSA-N 1 0 305.422 4.171 20 5 DIBDRO Cc1cc(NCCCC(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317151778 1056996590 /nfs/dbraw/zinc/99/65/90/1056996590.db2.gz RMFUYTKFWFQDOP-UHFFFAOYSA-N 1 0 313.279 4.206 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2-c1cc2c(nn1)CC[NH2+]C2 ZINC001241378868 1057031484 /nfs/dbraw/zinc/03/14/84/1057031484.db2.gz MHUFYAXPJLJHAO-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021055476 1057073575 /nfs/dbraw/zinc/07/35/75/1057073575.db2.gz UJZBQZCXACQWLI-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO CCOc1ccccc1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132237203 1057142326 /nfs/dbraw/zinc/14/23/26/1057142326.db2.gz DACXBVYAYCTHMU-QGZVFWFLSA-N 1 0 314.385 4.234 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C3CC3)o2)cc1 ZINC000611268542 1057586779 /nfs/dbraw/zinc/58/67/79/1057586779.db2.gz LJOZXZRSJXEAPE-QGZVFWFLSA-N 1 0 312.369 4.229 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000611265461 1057587551 /nfs/dbraw/zinc/58/75/51/1057587551.db2.gz SSTWOYIHGTXBGI-CJISVDGZSA-N 1 0 324.380 4.151 20 5 DIBDRO CCC[C@@H]([NH2+]C1CCC(O)(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611327742 1057591168 /nfs/dbraw/zinc/59/11/68/1057591168.db2.gz RYHCQLYZEWOJKU-IIIMJFFVSA-N 1 0 320.433 4.109 20 5 DIBDRO CC[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336833 1057591200 /nfs/dbraw/zinc/59/12/00/1057591200.db2.gz PFANHQKHVDCOJZ-IRXDYDNUSA-N 1 0 320.433 4.231 20 5 DIBDRO C[C@@]1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000730933645 1057729193 /nfs/dbraw/zinc/72/91/93/1057729193.db2.gz KVHVKYDMTGCWQV-GOSISDBHSA-N 1 0 314.360 4.075 20 5 DIBDRO OC1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCCC1 ZINC000732229251 1057771613 /nfs/dbraw/zinc/77/16/13/1057771613.db2.gz KOQLXWQGGNSCDD-UHFFFAOYSA-N 1 0 305.421 4.388 20 5 DIBDRO Cc1cc(NCCCCC[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC001559107273 1058994089 /nfs/dbraw/zinc/99/40/89/1058994089.db2.gz VTPRGTJLLYNDNK-UHFFFAOYSA-N 1 0 311.451 4.033 20 5 DIBDRO CC[N@H+](CCCNc1ccc([N+](=O)[O-])c(C)c1)C1CCCCC1 ZINC001559229121 1059107203 /nfs/dbraw/zinc/10/72/03/1059107203.db2.gz AJTVYPSLESUIPB-UHFFFAOYSA-N 1 0 319.449 4.360 20 5 DIBDRO C[C@H](C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC001559522942 1059319289 /nfs/dbraw/zinc/31/92/89/1059319289.db2.gz BQOAIHNFHNQODC-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC001559538292 1059341718 /nfs/dbraw/zinc/34/17/18/1059341718.db2.gz USNCKFKZCXCOQW-IBGZPJMESA-N 1 0 324.424 4.419 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC001559559956 1059374841 /nfs/dbraw/zinc/37/48/41/1059374841.db2.gz BCJCEPLRAYZYNE-UONOGXRCSA-N 1 0 306.406 4.002 20 5 DIBDRO CCC(CC)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC001559579406 1059412399 /nfs/dbraw/zinc/41/23/99/1059412399.db2.gz JPBRZOHIVHQMDC-UHFFFAOYSA-N 1 0 323.393 4.150 20 5 DIBDRO Cc1cccc(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001559607705 1059439679 /nfs/dbraw/zinc/43/96/79/1059439679.db2.gz VEHGZIAGYLRYJA-UHFFFAOYSA-N 1 0 310.397 4.376 20 5 DIBDRO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC001559632544 1059459974 /nfs/dbraw/zinc/45/99/74/1059459974.db2.gz JZWODIFXRJDVGH-IRXDYDNUSA-N 1 0 320.433 4.010 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001559644902 1059469280 /nfs/dbraw/zinc/46/92/80/1059469280.db2.gz PANYNHKUJIZQGQ-GOEBONIOSA-N 1 0 308.397 4.428 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001559683538 1059513411 /nfs/dbraw/zinc/51/34/11/1059513411.db2.gz KJFZSDJHAQPKQG-MRXNPFEDSA-N 1 0 302.399 4.206 20 5 DIBDRO Cc1ccccc1CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001559686939 1059516490 /nfs/dbraw/zinc/51/64/90/1059516490.db2.gz UMSZRIKUHUQSQV-MRXNPFEDSA-N 1 0 312.413 4.495 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001559703661 1059532078 /nfs/dbraw/zinc/53/20/78/1059532078.db2.gz JGNDGORWRAVHGT-IAGOWNOFSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)CCC2 ZINC001559703807 1059533697 /nfs/dbraw/zinc/53/36/97/1059533697.db2.gz PTHLISUCXJZTGR-GFCCVEGCSA-N 1 0 314.360 4.073 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCCC2(F)F)C2CC2)cc1 ZINC001559713290 1059543963 /nfs/dbraw/zinc/54/39/63/1059543963.db2.gz LVMGRJALLVCTKF-AWEZNQCLSA-N 1 0 324.371 4.385 20 5 DIBDRO CCC1(CC)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC001559729506 1059561661 /nfs/dbraw/zinc/56/16/61/1059561661.db2.gz ZMNAJAGHPCJLHN-CYBMUJFWSA-N 1 0 308.447 4.263 20 5 DIBDRO CC[N@H+](CCC1CC1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001559728672 1059562059 /nfs/dbraw/zinc/56/20/59/1059562059.db2.gz WKQZMEJOYBNKNU-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCC[C@H]1C ZINC001559751336 1059581378 /nfs/dbraw/zinc/58/13/78/1059581378.db2.gz COBOAKYDYIRKSF-CZUORRHYSA-N 1 0 306.406 4.004 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001559775865 1059611610 /nfs/dbraw/zinc/61/16/10/1059611610.db2.gz OQGGPQUWENEUMB-DZGCQCFKSA-N 1 0 320.433 4.298 20 5 DIBDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC001559811431 1059645728 /nfs/dbraw/zinc/64/57/28/1059645728.db2.gz JEFNMYWLCIRHBO-KBRIMQKVSA-N 1 0 320.433 4.148 20 5 DIBDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001559870606 1059688848 /nfs/dbraw/zinc/68/88/48/1059688848.db2.gz BVTWXQLMFMSOFU-KRWDZBQOSA-N 1 0 310.397 4.147 20 5 DIBDRO CC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001559914946 1059727256 /nfs/dbraw/zinc/72/72/56/1059727256.db2.gz YGXRFDYWTLUBKF-GOSISDBHSA-N 1 0 314.385 4.105 20 5 DIBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001559915180 1059728087 /nfs/dbraw/zinc/72/80/87/1059728087.db2.gz HHSAOOWSUXQJJO-HNNXBMFYSA-N 1 0 320.433 4.252 20 5 DIBDRO CCOc1cc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001559915181 1059728739 /nfs/dbraw/zinc/72/87/39/1059728739.db2.gz HHSAOOWSUXQJJO-OAHLLOKOSA-N 1 0 320.433 4.252 20 5 DIBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001559921151 1059737770 /nfs/dbraw/zinc/73/77/70/1059737770.db2.gz GMEIFVDVRDPKPW-LSDHHAIUSA-N 1 0 308.397 4.381 20 5 DIBDRO C[C@H](C[NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001248213132 1059749705 /nfs/dbraw/zinc/74/97/05/1059749705.db2.gz RUQBEXBUAIFNER-GFCCVEGCSA-N 1 0 303.365 4.105 20 5 DIBDRO C1=C[C@@H](c2nc(-c3cc4ccccc4c4ccccc34)no2)[NH2+]C1 ZINC001248229665 1059755303 /nfs/dbraw/zinc/75/53/03/1059755303.db2.gz RXTYAVCVMBKZAJ-SFHVURJKSA-N 1 0 313.360 4.244 20 5 DIBDRO C/C=C\C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001560041653 1059856296 /nfs/dbraw/zinc/85/62/96/1059856296.db2.gz SRUIREGZHSSXKP-ZRMMWKCHSA-N 1 0 308.809 4.426 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC001560058115 1059871315 /nfs/dbraw/zinc/87/13/15/1059871315.db2.gz KYKGXVBACHCIGM-CQSZACIVSA-N 1 0 320.433 4.252 20 5 DIBDRO CC[C@](C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001560059785 1059874100 /nfs/dbraw/zinc/87/41/00/1059874100.db2.gz XYTSCFLOIIDXNA-KRWDZBQOSA-N 1 0 320.339 4.288 20 5 DIBDRO C[NH+](C)Cc1ccccc1Nc1ccc([N+](=O)[O-])cc1Cl ZINC001248608307 1059911469 /nfs/dbraw/zinc/91/14/69/1059911469.db2.gz YIZGSLZBAXSDIL-UHFFFAOYSA-N 1 0 305.765 4.053 20 5 DIBDRO C[C@]1(c2nc(-c3cc4ccccc4c4ccccc34)no2)CC[NH2+]1 ZINC001248725532 1059956774 /nfs/dbraw/zinc/95/67/74/1059956774.db2.gz HFEKHSGYSJWLFQ-HXUWFJFHSA-N 1 0 315.376 4.252 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC001560186805 1059969423 /nfs/dbraw/zinc/96/94/23/1059969423.db2.gz WZEJJSUXYFPYAT-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1=CCCCC1 ZINC001560254079 1060021875 /nfs/dbraw/zinc/02/18/75/1060021875.db2.gz YQAHHGOEZSFNMO-NTCAYCPXSA-N 1 0 300.402 4.478 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)Cc1ccccc1F ZINC001560285779 1060064473 /nfs/dbraw/zinc/06/44/73/1060064473.db2.gz HJAKBGJZLURKEH-ZDUSSCGKSA-N 1 0 316.376 4.072 20 5 DIBDRO CCCC1CCC(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560314272 1060101036 /nfs/dbraw/zinc/10/10/36/1060101036.db2.gz SIDZSUFJYUGBNQ-UHFFFAOYSA-N 1 0 320.433 4.170 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC001560361633 1060148334 /nfs/dbraw/zinc/14/83/34/1060148334.db2.gz FJPQLOHECJTMJR-UHFFFAOYSA-N 1 0 324.424 4.196 20 5 DIBDRO COc1ccc(C[NH2+]CC(C)(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001560401961 1060187860 /nfs/dbraw/zinc/18/78/60/1060187860.db2.gz SLEILUBAEPHHPJ-UHFFFAOYSA-N 1 0 320.433 4.300 20 5 DIBDRO CCC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560439230 1060226008 /nfs/dbraw/zinc/22/60/08/1060226008.db2.gz CHZWSOANPALXGV-UHFFFAOYSA-N 1 0 302.374 4.381 20 5 DIBDRO COCC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCCC1 ZINC001560506198 1060303661 /nfs/dbraw/zinc/30/36/61/1060303661.db2.gz VQAJPBZCYQQUET-UHFFFAOYSA-N 1 0 320.433 4.015 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)o1 ZINC001560516056 1060314993 /nfs/dbraw/zinc/31/49/93/1060314993.db2.gz RIPKVEKLIQJTDV-STQMWFEESA-N 1 0 318.348 4.225 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccccc2CC(C)C)cc1[N+](=O)[O-] ZINC001560541092 1060347426 /nfs/dbraw/zinc/34/74/26/1060347426.db2.gz KUFZWWUVOWQZIS-UHFFFAOYSA-N 1 0 312.413 4.392 20 5 DIBDRO CCC[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)OCC ZINC001560545213 1060355614 /nfs/dbraw/zinc/35/56/14/1060355614.db2.gz YXBSDYCHXREZNH-HNNXBMFYSA-N 1 0 308.422 4.013 20 5 DIBDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001560578033 1060390167 /nfs/dbraw/zinc/39/01/67/1060390167.db2.gz FWAZAGUYPIRFSS-CQSZACIVSA-N 1 0 314.385 4.234 20 5 DIBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001560591942 1060404957 /nfs/dbraw/zinc/40/49/57/1060404957.db2.gz SERGDKYFYIGXEO-CHWSQXEVSA-N 1 0 300.358 4.133 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCC=CCC2)o1 ZINC001560593979 1060407823 /nfs/dbraw/zinc/40/78/23/1060407823.db2.gz VMJBHBYZAWPROQ-UHFFFAOYSA-N 1 0 312.369 4.443 20 5 DIBDRO C[C@@H](C[NH2+]C1CCc2ccccc2CC1)c1ccccc1[N+](=O)[O-] ZINC001560603925 1060416444 /nfs/dbraw/zinc/41/64/44/1060416444.db2.gz HYVWRHMGQPPINK-HNNXBMFYSA-N 1 0 324.424 4.236 20 5 DIBDRO Cc1cccc2[nH]c(C[NH2+]C[C@H](C)c3ccccc3[N+](=O)[O-])cc21 ZINC001560604235 1060417772 /nfs/dbraw/zinc/41/77/72/1060417772.db2.gz PFHJVAXIBNPEHT-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001560609094 1060421182 /nfs/dbraw/zinc/42/11/82/1060421182.db2.gz VPFLWVXDJZYRIJ-QLKUMGTLSA-N 1 0 314.360 4.488 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCc2ccccc21)C1CC1 ZINC001560639135 1060456170 /nfs/dbraw/zinc/45/61/70/1060456170.db2.gz RHFLWOXEDHXVPK-INIZCTEOSA-N 1 0 322.408 4.289 20 5 DIBDRO CC[N@H+](Cc1cccs1)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560670100 1060503369 /nfs/dbraw/zinc/50/33/69/1060503369.db2.gz RDLWZUZRDDZNBN-UHFFFAOYSA-N 1 0 304.415 4.295 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]2CCCC[C@H]12 ZINC001560705722 1060564288 /nfs/dbraw/zinc/56/42/88/1060564288.db2.gz PVYZBUKIOWBWRF-KYOSRNDESA-N 1 0 308.809 4.259 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC001560706063 1060565655 /nfs/dbraw/zinc/56/56/55/1060565655.db2.gz ZWAHRELBURTZET-KGLIPLIRSA-N 1 0 308.422 4.154 20 5 DIBDRO CC[C@H](C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001560719774 1060580391 /nfs/dbraw/zinc/58/03/91/1060580391.db2.gz WOOOTFKQJGSLAF-INIZCTEOSA-N 1 0 312.413 4.438 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001560754301 1060620202 /nfs/dbraw/zinc/62/02/02/1060620202.db2.gz FTLWUJIZVJWRQR-CYBMUJFWSA-N 1 0 316.376 4.153 20 5 DIBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001560776480 1060641114 /nfs/dbraw/zinc/64/11/14/1060641114.db2.gz KYGDRUAAHSJEMA-ZWNOBZJWSA-N 1 0 316.323 4.234 20 5 DIBDRO Cc1ccc2c(c1)CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C2 ZINC001560894406 1060757087 /nfs/dbraw/zinc/75/70/87/1060757087.db2.gz KSFZHILSYWWVJW-UHFFFAOYSA-N 1 0 310.397 4.078 20 5 DIBDRO CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001560931715 1060794647 /nfs/dbraw/zinc/79/46/47/1060794647.db2.gz OURPKLCUIQWCGR-INIZCTEOSA-N 1 0 316.376 4.235 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1Cl ZINC001560981427 1060845273 /nfs/dbraw/zinc/84/52/73/1060845273.db2.gz OVLIMDDDGSTTQV-UHFFFAOYSA-N 1 0 315.760 4.019 20 5 DIBDRO C[C@H](CCc1ccsc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001560995279 1060857118 /nfs/dbraw/zinc/85/71/18/1060857118.db2.gz GYFJJQGAKIASGM-OLZOCXBDSA-N 1 0 304.415 4.328 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(F)(C2CC2)CC1 ZINC001561033036 1060886642 /nfs/dbraw/zinc/88/66/42/1060886642.db2.gz AMLQKOIGQGGRGW-SDNWHVSQSA-N 1 0 318.392 4.212 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c1 ZINC001473229542 1061010100 /nfs/dbraw/zinc/01/01/00/1061010100.db2.gz ANCYWTJFJDJUPM-ICSRJNTNSA-N 1 0 322.408 4.496 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001473274348 1061048733 /nfs/dbraw/zinc/04/87/33/1061048733.db2.gz VTWRYTMEHDIRPN-IAGOWNOFSA-N 1 0 320.433 4.168 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001473274349 1061049613 /nfs/dbraw/zinc/04/96/13/1061049613.db2.gz VTWRYTMEHDIRPN-IRXDYDNUSA-N 1 0 320.433 4.168 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001473309242 1061074218 /nfs/dbraw/zinc/07/42/18/1061074218.db2.gz IHGJIPRHYUFUPH-MRXNPFEDSA-N 1 0 302.349 4.283 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@@H]1C(C)C ZINC001462288600 1061081865 /nfs/dbraw/zinc/08/18/65/1061081865.db2.gz ARGYFWHZDSIBFN-DZXKJOIRSA-N 1 0 302.418 4.365 20 5 DIBDRO Cc1c(C[N@@H+]2Cc3ccccc3C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001473344283 1061103391 /nfs/dbraw/zinc/10/33/91/1061103391.db2.gz KUTOTNYRJBXUPR-UHFFFAOYSA-N 1 0 310.397 4.197 20 5 DIBDRO CC(C)[C@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCCC2 ZINC001462335917 1061112881 /nfs/dbraw/zinc/11/28/81/1061112881.db2.gz VGYOBIZDONJFGO-QGZVFWFLSA-N 1 0 302.418 4.038 20 5 DIBDRO CCC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC001462387877 1061144429 /nfs/dbraw/zinc/14/44/29/1061144429.db2.gz OXUYGMXRPJQFMW-UHFFFAOYSA-N 1 0 304.312 4.234 20 5 DIBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473411412 1061145009 /nfs/dbraw/zinc/14/50/09/1061145009.db2.gz ZFFRVFJDWODLMX-CZUORRHYSA-N 1 0 306.406 4.002 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2Cc3ccccc3C3(CCC3)C2)c1 ZINC001473464410 1061174431 /nfs/dbraw/zinc/17/44/31/1061174431.db2.gz TXUWLDCTXOPNJC-UHFFFAOYSA-N 1 0 308.381 4.032 20 5 DIBDRO CCOc1cc(C[NH+]2CCCCCCCC2)ccc1[N+](=O)[O-] ZINC001473479833 1061182118 /nfs/dbraw/zinc/18/21/18/1061182118.db2.gz YWUZZGIXVBKCOY-UHFFFAOYSA-N 1 0 306.406 4.150 20 5 DIBDRO CCc1ccc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001473509515 1061203319 /nfs/dbraw/zinc/20/33/19/1061203319.db2.gz ORWCBTSYTVMYDM-SFHVURJKSA-N 1 0 310.397 4.147 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001473538094 1061230341 /nfs/dbraw/zinc/23/03/41/1061230341.db2.gz FACZNGBCUJMDND-CYBMUJFWSA-N 1 0 316.376 4.105 20 5 DIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001473539504 1061233981 /nfs/dbraw/zinc/23/39/81/1061233981.db2.gz PYHMIZLEEXNUMA-RTBURBONSA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2[nH]ccc21 ZINC001462526676 1061237290 /nfs/dbraw/zinc/23/72/90/1061237290.db2.gz AJBUEXYKTGNOIL-CQSZACIVSA-N 1 0 323.396 4.187 20 5 DIBDRO Cc1ccc(CC(C)(C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC001473564380 1061250914 /nfs/dbraw/zinc/25/09/14/1061250914.db2.gz LIBZFDZALDUJCL-UHFFFAOYSA-N 1 0 316.376 4.153 20 5 DIBDRO C[C@@H]1CC(C)(C)C[C@](C)([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001462564068 1061264902 /nfs/dbraw/zinc/26/49/02/1061264902.db2.gz OPYOATRFMJKIGI-RDTXWAMCSA-N 1 0 304.434 4.332 20 5 DIBDRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001462579440 1061272589 /nfs/dbraw/zinc/27/25/89/1061272589.db2.gz PSGRNJWJMLINDN-CMPLNLGQSA-N 1 0 304.312 4.367 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001473784454 1061408369 /nfs/dbraw/zinc/40/83/69/1061408369.db2.gz XMUXXHMHLOXYHT-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC001473843921 1061431512 /nfs/dbraw/zinc/43/15/12/1061431512.db2.gz OYXNCVCVGLNMDH-UFUQCMIWSA-N 1 0 322.408 4.315 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC001473843919 1061432590 /nfs/dbraw/zinc/43/25/90/1061432590.db2.gz OYXNCVCVGLNMDH-POGDKVGISA-N 1 0 322.408 4.315 20 5 DIBDRO CCCCC1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001473871554 1061445977 /nfs/dbraw/zinc/44/59/77/1061445977.db2.gz UJEREKLKOSSRHP-UHFFFAOYSA-N 1 0 315.373 4.062 20 5 DIBDRO CCc1ccc2c(c1)C[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC001473905589 1061455850 /nfs/dbraw/zinc/45/58/50/1061455850.db2.gz SLMGTQRGXFLRMV-CQSZACIVSA-N 1 0 310.397 4.277 20 5 DIBDRO CC(C)c1ccc(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001473999543 1061540803 /nfs/dbraw/zinc/54/08/03/1061540803.db2.gz MWZYMTQZLLEJAR-UHFFFAOYSA-N 1 0 312.413 4.441 20 5 DIBDRO Cc1ccc(NCC2CC[NH+](CCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001458218316 1061640318 /nfs/dbraw/zinc/64/03/18/1061640318.db2.gz DNBXMHZEJBIGIH-UHFFFAOYSA-N 1 0 319.449 4.073 20 5 DIBDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC001474132107 1061678595 /nfs/dbraw/zinc/67/85/95/1061678595.db2.gz YDLJQZUKUMOLJY-NVXWUHKLSA-N 1 0 304.434 4.332 20 5 DIBDRO CC[N@H+](CCCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001458469860 1061782246 /nfs/dbraw/zinc/78/22/46/1061782246.db2.gz CWVHJOTVIPMQAS-UHFFFAOYSA-N 1 0 305.422 4.051 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC23CC3)o1 ZINC001474230628 1061792250 /nfs/dbraw/zinc/79/22/50/1061792250.db2.gz VJNJSHICDNKJFE-QGZVFWFLSA-N 1 0 312.369 4.277 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC001474246453 1061810781 /nfs/dbraw/zinc/81/07/81/1061810781.db2.gz UOSCPHFWFPZDSL-WBVHZDCISA-N 1 0 320.433 4.013 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H]1C=CCC1 ZINC001474254985 1061821508 /nfs/dbraw/zinc/82/15/08/1061821508.db2.gz UOQYKSKUTBKNHY-STTHAQSSSA-N 1 0 300.402 4.334 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H]1C=CCC1 ZINC001474254982 1061822936 /nfs/dbraw/zinc/82/29/36/1061822936.db2.gz UOQYKSKUTBKNHY-ASNKMWSDSA-N 1 0 300.402 4.334 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC3CCC3)o2)c1 ZINC001474255117 1061822971 /nfs/dbraw/zinc/82/29/71/1061822971.db2.gz ZCKGDHDFXMKROM-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO C[C@@H](C[NH2+]C/C=C/c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001474283290 1061852112 /nfs/dbraw/zinc/85/21/12/1061852112.db2.gz NPIVCIHGKCSDAP-DYLGSBMWSA-N 1 0 314.360 4.140 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC001474283999 1061853483 /nfs/dbraw/zinc/85/34/83/1061853483.db2.gz YGFMRYLDCHMZHS-CYBMUJFWSA-N 1 0 318.804 4.450 20 5 DIBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001474341156 1061942471 /nfs/dbraw/zinc/94/24/71/1061942471.db2.gz MHHWTCBNKVIQIC-GOSISDBHSA-N 1 0 310.397 4.220 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCc2ccccc2CC1 ZINC001474375044 1062022048 /nfs/dbraw/zinc/02/20/48/1062022048.db2.gz LGGSOGXAWCINGI-SSZFMOIBSA-N 1 0 322.408 4.099 20 5 DIBDRO CCc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC001474410553 1062072630 /nfs/dbraw/zinc/07/26/30/1062072630.db2.gz QFXOPVXDMYTORJ-UHFFFAOYSA-N 1 0 318.804 4.443 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ccccc2c1 ZINC001254536150 1062163553 /nfs/dbraw/zinc/16/35/53/1062163553.db2.gz ALPUUWAZUNOKLZ-OAHLLOKOSA-N 1 0 320.392 4.469 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC001254537967 1062164034 /nfs/dbraw/zinc/16/40/34/1062164034.db2.gz KZDQHUXXRRSRLO-CYBMUJFWSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC001254534687 1062164049 /nfs/dbraw/zinc/16/40/49/1062164049.db2.gz BATCFNQVJFCRND-IWUURBKTSA-N 1 0 314.429 4.084 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1Cl ZINC001254531302 1062164295 /nfs/dbraw/zinc/16/42/95/1062164295.db2.gz DDVBQJKSQYLABP-ZDUSSCGKSA-N 1 0 318.804 4.012 20 5 DIBDRO Cc1ccc(CCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC001254531672 1062165671 /nfs/dbraw/zinc/16/56/71/1062165671.db2.gz GNQIDEKVCGBJQC-CYBMUJFWSA-N 1 0 318.442 4.118 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC001254540050 1062166770 /nfs/dbraw/zinc/16/67/70/1062166770.db2.gz OTVJLDDYMNNGAL-LBTNJELSSA-N 1 0 310.397 4.364 20 5 DIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540950 1062167017 /nfs/dbraw/zinc/16/70/17/1062167017.db2.gz XEAVQNLEZLECLW-RDTXWAMCSA-N 1 0 310.397 4.111 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001254542992 1062169652 /nfs/dbraw/zinc/16/96/52/1062169652.db2.gz QZMQDHCRGPBWBG-CXAGYDPISA-N 1 0 316.376 4.406 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001254546456 1062170934 /nfs/dbraw/zinc/17/09/34/1062170934.db2.gz FVDAYIPDNSBTBR-WMLDXEAASA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001474491562 1062171065 /nfs/dbraw/zinc/17/10/65/1062171065.db2.gz IFZUPXPOECXSOV-HPFXQQBRSA-N 1 0 316.445 4.332 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1ccc(F)cc1 ZINC001254548240 1062173603 /nfs/dbraw/zinc/17/36/03/1062173603.db2.gz LXJVTRDHULPVQL-ZDUSSCGKSA-N 1 0 316.376 4.190 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001254561170 1062178611 /nfs/dbraw/zinc/17/86/11/1062178611.db2.gz FOLSDFXWNUVSTB-YJBOKZPZSA-N 1 0 310.397 4.363 20 5 DIBDRO Cc1ccc(CC[N@@H+](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254560410 1062179229 /nfs/dbraw/zinc/17/92/29/1062179229.db2.gz RWSMXIZCUGTFIU-INIZCTEOSA-N 1 0 312.413 4.009 20 5 DIBDRO CC[N@H+](Cc1cccs1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565345 1062180029 /nfs/dbraw/zinc/18/00/29/1062180029.db2.gz OHIRAMMZMADCME-ZDUSSCGKSA-N 1 0 304.415 4.109 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001254561153 1062180543 /nfs/dbraw/zinc/18/05/43/1062180543.db2.gz FOLSDFXWNUVSTB-CRAIPNDOSA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001254559758 1062180625 /nfs/dbraw/zinc/18/06/25/1062180625.db2.gz MKHCFLYIPILYSN-UXLLHSPISA-N 1 0 302.418 4.038 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCC3(CCCC3)CC1)C2 ZINC001254568358 1062182657 /nfs/dbraw/zinc/18/26/57/1062182657.db2.gz TXAIFOWZHAGRTL-KRWDZBQOSA-N 1 0 314.429 4.155 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]3CCCC[C@@H]13)C2 ZINC001254575460 1062186172 /nfs/dbraw/zinc/18/61/72/1062186172.db2.gz QUYLQWBTBJJVHQ-UONJOCPKSA-N 1 0 314.429 4.011 20 5 DIBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC001254572349 1062187367 /nfs/dbraw/zinc/18/73/67/1062187367.db2.gz LJEFIECIBUANGY-FZMZJTMJSA-N 1 0 316.788 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(c3ccccc3)CCCC1)C2 ZINC001254571720 1062187464 /nfs/dbraw/zinc/18/74/64/1062187464.db2.gz ATXXNHNGWVHCEB-SFHVURJKSA-N 1 0 322.408 4.121 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC001254583640 1062189080 /nfs/dbraw/zinc/18/90/80/1062189080.db2.gz NOIUWYKPSODVMI-HNNXBMFYSA-N 1 0 324.405 4.067 20 5 DIBDRO CCC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC(F)(F)CC1 ZINC001254587255 1062189196 /nfs/dbraw/zinc/18/91/96/1062189196.db2.gz OHCVIDIXWMMDKD-AWEZNQCLSA-N 1 0 324.371 4.010 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+](Cc1ccccc1)C1CCC1)C2 ZINC001254606576 1062200391 /nfs/dbraw/zinc/20/03/91/1062200391.db2.gz GLGFHISNYDGLFI-HXUWFJFHSA-N 1 0 322.408 4.117 20 5 DIBDRO C[C@@H](CC[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001474516565 1062203124 /nfs/dbraw/zinc/20/31/24/1062203124.db2.gz JBQDIVOFJWJJJV-INIZCTEOSA-N 1 0 312.413 4.263 20 5 DIBDRO Cc1sccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001474532595 1062217298 /nfs/dbraw/zinc/21/72/98/1062217298.db2.gz POLDJIQXLMQTRJ-MRXNPFEDSA-N 1 0 316.426 4.344 20 5 DIBDRO CCC[C@]1(C)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001459578093 1062222178 /nfs/dbraw/zinc/22/21/78/1062222178.db2.gz KQSGLRWVFOODKX-GOSISDBHSA-N 1 0 320.433 4.266 20 5 DIBDRO Cc1cccc(C[N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC001474544690 1062239525 /nfs/dbraw/zinc/23/95/25/1062239525.db2.gz SUQZHQZWJYIOOA-UHFFFAOYSA-N 1 0 312.413 4.460 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC2(CCCCC2)C1 ZINC001459627452 1062261660 /nfs/dbraw/zinc/26/16/60/1062261660.db2.gz CVBQFAYEFRPULL-CQSZACIVSA-N 1 0 320.458 4.408 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001474589616 1062300933 /nfs/dbraw/zinc/30/09/33/1062300933.db2.gz WVCLRRZYCYHYPT-JCGIZDLHSA-N 1 0 316.445 4.474 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCC1 ZINC001474636376 1062360701 /nfs/dbraw/zinc/36/07/01/1062360701.db2.gz NHGNYRBIAGJRBM-RDJZCZTQSA-N 1 0 300.402 4.006 20 5 DIBDRO CC[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001474694583 1062424989 /nfs/dbraw/zinc/42/49/89/1062424989.db2.gz IYVPLWSLCRZHRT-CHWSQXEVSA-N 1 0 304.415 4.328 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC001459823921 1062428708 /nfs/dbraw/zinc/42/87/08/1062428708.db2.gz FGQIZWJJOPMFJK-ZFWWWQNUSA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC001459823784 1062428876 /nfs/dbraw/zinc/42/88/76/1062428876.db2.gz FGQIZWJJOPMFJK-DZGCQCFKSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001474727986 1062450318 /nfs/dbraw/zinc/45/03/18/1062450318.db2.gz PPMGDDBFZAFNKD-HZPDHXFCSA-N 1 0 312.413 4.309 20 5 DIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459904753 1062487409 /nfs/dbraw/zinc/48/74/09/1062487409.db2.gz NZFJKFKICBCZJG-SWLSCSKDSA-N 1 0 324.396 4.191 20 5 DIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001459908873 1062490057 /nfs/dbraw/zinc/49/00/57/1062490057.db2.gz XMXMFPULJHPBOX-QGZVFWFLSA-N 1 0 316.426 4.254 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001459964867 1062533302 /nfs/dbraw/zinc/53/33/02/1062533302.db2.gz OXKWBJXWKDECNL-BBRMVZONSA-N 1 0 308.397 4.428 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460023910 1062578870 /nfs/dbraw/zinc/57/88/70/1062578870.db2.gz TUYCHRBQZADJMK-HNNXBMFYSA-N 1 0 320.433 4.252 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC001460126539 1062647456 /nfs/dbraw/zinc/64/74/56/1062647456.db2.gz DRFSZUOSLASAGY-AOIWGVFYSA-N 1 0 314.429 4.210 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CC(C)C)c([N+](=O)[O-])cc1F ZINC001460137471 1062655165 /nfs/dbraw/zinc/65/51/65/1062655165.db2.gz RNZCMGOOLQVDMO-KRWDZBQOSA-N 1 0 324.396 4.143 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCC1 ZINC001460222883 1062707410 /nfs/dbraw/zinc/70/74/10/1062707410.db2.gz CTUYEAMUOSGRSN-KRWDZBQOSA-N 1 0 320.433 4.440 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(C3CCCCC3)CC2)cc1 ZINC001460372726 1062817250 /nfs/dbraw/zinc/81/72/50/1062817250.db2.gz RTRZTYJWQKPUOD-UHFFFAOYSA-N 1 0 316.445 4.430 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC001460410996 1062840224 /nfs/dbraw/zinc/84/02/24/1062840224.db2.gz XXGFEKVBZJRDDN-UHFFFAOYSA-N 1 0 318.417 4.150 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)ccc1Cl ZINC001460456546 1062865234 /nfs/dbraw/zinc/86/52/34/1062865234.db2.gz APTJYECAVHVAIE-CQSZACIVSA-N 1 0 308.809 4.260 20 5 DIBDRO C[C@@H](C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC001460597049 1062924440 /nfs/dbraw/zinc/92/44/40/1062924440.db2.gz GSOJDUUKLUPTPJ-ZDUSSCGKSA-N 1 0 308.397 4.382 20 5 DIBDRO Cc1cccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC001460607970 1062932344 /nfs/dbraw/zinc/93/23/44/1062932344.db2.gz MNEZIWBYCXRCMH-LJQANCHMSA-N 1 0 312.413 4.433 20 5 DIBDRO CC[C@@H](C)[N@H+](C)CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001472682093 1063147309 /nfs/dbraw/zinc/14/73/09/1063147309.db2.gz WECFIDIBLKSOOW-SECBINFHSA-N 1 0 320.220 4.044 20 5 DIBDRO Cc1ccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC001461204733 1063330025 /nfs/dbraw/zinc/33/00/25/1063330025.db2.gz FMQWUAQRJJEURG-UHFFFAOYSA-N 1 0 312.413 4.359 20 5 DIBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001461261574 1063375250 /nfs/dbraw/zinc/37/52/50/1063375250.db2.gz DAOBXVAZJSORQS-UHFFFAOYSA-N 1 0 318.442 4.386 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2C2CCCC2)c(F)c1 ZINC001473117515 1063420339 /nfs/dbraw/zinc/42/03/39/1063420339.db2.gz VRXPCQBCBCQQGJ-MRXNPFEDSA-N 1 0 310.344 4.028 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(C(C)C)c1 ZINC001461380126 1063460014 /nfs/dbraw/zinc/46/00/14/1063460014.db2.gz WFSUZYNTDFYCAE-UHFFFAOYSA-N 1 0 314.385 4.017 20 5 DIBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473174012 1063480400 /nfs/dbraw/zinc/48/04/00/1063480400.db2.gz TVZMPVSSHBFVOX-LJQANCHMSA-N 1 0 324.424 4.419 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@H]1CC(C)C ZINC001473176493 1063483054 /nfs/dbraw/zinc/48/30/54/1063483054.db2.gz MICMVRBKHPSUEU-INIZCTEOSA-N 1 0 320.433 4.394 20 5 DIBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC001473178526 1063485982 /nfs/dbraw/zinc/48/59/82/1063485982.db2.gz HQFFQNODCFESGM-CJNGLKHVSA-N 1 0 306.406 4.004 20 5 DIBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC001473178525 1063486643 /nfs/dbraw/zinc/48/66/43/1063486643.db2.gz HQFFQNODCFESGM-BBRMVZONSA-N 1 0 306.406 4.004 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001461464615 1063524147 /nfs/dbraw/zinc/52/41/47/1063524147.db2.gz NLRIVJZECIBIMS-ILXRZTDVSA-N 1 0 320.433 4.155 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC2CCC1CC2 ZINC001461592477 1063602048 /nfs/dbraw/zinc/60/20/48/1063602048.db2.gz OMAJFCWXHXFIGX-ZKXNBQSVSA-N 1 0 314.429 4.414 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC001461757734 1063699765 /nfs/dbraw/zinc/69/97/65/1063699765.db2.gz VBFLYZQTVKRKHY-FGCGXKTGSA-N 1 0 300.402 4.168 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC001461759243 1063700340 /nfs/dbraw/zinc/70/03/40/1063700340.db2.gz DOYIXFFPRFLZQN-MKPVWWQNSA-N 1 0 300.402 4.024 20 5 DIBDRO CCc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC001461789203 1063717549 /nfs/dbraw/zinc/71/75/49/1063717549.db2.gz OTILBQKFYVRGLG-GFCCVEGCSA-N 1 0 304.415 4.112 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccccc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC001461789820 1063718035 /nfs/dbraw/zinc/71/80/35/1063718035.db2.gz SGUCUUYZJXRHKI-CQSZACIVSA-N 1 0 310.397 4.366 20 5 DIBDRO CC(C)c1ccc(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001461892251 1063780222 /nfs/dbraw/zinc/78/02/22/1063780222.db2.gz OBDLHPKEMZKHIH-UHFFFAOYSA-N 1 0 312.413 4.393 20 5 DIBDRO Cc1c(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001461914175 1063795284 /nfs/dbraw/zinc/79/52/84/1063795284.db2.gz RCZDBSGTALTXDQ-SFHVURJKSA-N 1 0 310.397 4.486 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC001461920557 1063801289 /nfs/dbraw/zinc/80/12/89/1063801289.db2.gz LMCONSCHEPEBMH-UHFFFAOYSA-N 1 0 323.396 4.325 20 5 DIBDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001461999315 1063870192 /nfs/dbraw/zinc/87/01/92/1063870192.db2.gz QNXIXMVTANYRIY-KPZWWZAWSA-N 1 0 314.360 4.147 20 5 DIBDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001461999328 1063870724 /nfs/dbraw/zinc/87/07/24/1063870724.db2.gz QNXIXMVTANYRIY-XIKOKIGWSA-N 1 0 314.360 4.147 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000488442123 1063906396 /nfs/dbraw/zinc/90/63/96/1063906396.db2.gz MKKVRROJAXHFKK-SLEUVZQESA-N 1 0 308.447 4.166 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\C1CC1 ZINC001261240586 1063914486 /nfs/dbraw/zinc/91/44/86/1063914486.db2.gz CMVDOKZUIXUIDL-GEXIGZQTSA-N 1 0 306.431 4.021 20 5 DIBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 ZINC001306924934 1065205940 /nfs/dbraw/zinc/20/59/40/1065205940.db2.gz PYYKLCCJKJYESD-GOSISDBHSA-N 1 0 319.449 4.216 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC001306985982 1065236327 /nfs/dbraw/zinc/23/63/27/1065236327.db2.gz CKLSCXLCHDOBJB-UHFFFAOYSA-N 1 0 319.449 4.073 20 5 DIBDRO CC(C)[N@H+](CCCC(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001307430770 1065391884 /nfs/dbraw/zinc/39/18/84/1065391884.db2.gz LDNNWGMDDKZHKY-UHFFFAOYSA-N 1 0 300.349 4.241 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307443321 1065404692 /nfs/dbraw/zinc/40/46/92/1065404692.db2.gz BANNLDFLWOYMFM-AWEZNQCLSA-N 1 0 314.360 4.032 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC001307459587 1065412623 /nfs/dbraw/zinc/41/26/23/1065412623.db2.gz WUHAPJMOKLSKFO-UHFFFAOYSA-N 1 0 318.417 4.150 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC001307478088 1065425404 /nfs/dbraw/zinc/42/54/04/1065425404.db2.gz ISEUSHLTDYFNAB-HUUCEWRRSA-N 1 0 320.433 4.393 20 5 DIBDRO C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001307518501 1065457373 /nfs/dbraw/zinc/45/73/73/1065457373.db2.gz RDKREKLHBHUAEK-HXUWFJFHSA-N 1 0 324.424 4.440 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001307576587 1065490948 /nfs/dbraw/zinc/49/09/48/1065490948.db2.gz YKLFXMNRRPYDHP-HIFRSBDPSA-N 1 0 308.397 4.428 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)c(F)c1 ZINC001307577982 1065492010 /nfs/dbraw/zinc/49/20/10/1065492010.db2.gz XULDSEQCGMCVAX-SFHVURJKSA-N 1 0 314.360 4.365 20 5 DIBDRO CCc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC001307598775 1065506753 /nfs/dbraw/zinc/50/67/53/1065506753.db2.gz XCMNGLWVOZNUMP-UHFFFAOYSA-N 1 0 310.397 4.322 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC001307614999 1065518351 /nfs/dbraw/zinc/51/83/51/1065518351.db2.gz OVUIGUYCWYVUIN-SFHVURJKSA-N 1 0 314.360 4.283 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001307689566 1065564164 /nfs/dbraw/zinc/56/41/64/1065564164.db2.gz BZFWKXIUYCHKQY-HKUYNNGSSA-N 1 0 324.424 4.404 20 5 DIBDRO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001307761206 1065609498 /nfs/dbraw/zinc/60/94/98/1065609498.db2.gz QGQFLFLACNCGQS-OAHLLOKOSA-N 1 0 324.424 4.319 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)(C)C ZINC001307776493 1065615436 /nfs/dbraw/zinc/61/54/36/1065615436.db2.gz OIIMMEVENOGNLC-INIZCTEOSA-N 1 0 308.422 4.298 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001307851916 1065651436 /nfs/dbraw/zinc/65/14/36/1065651436.db2.gz GNBRGUXPFMEQHP-UKRRQHHQSA-N 1 0 308.397 4.381 20 5 DIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001307853303 1065653372 /nfs/dbraw/zinc/65/33/72/1065653372.db2.gz PTSTXCTZFPDATQ-HUUCEWRRSA-N 1 0 320.433 4.120 20 5 DIBDRO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC001307935449 1065688351 /nfs/dbraw/zinc/68/83/51/1065688351.db2.gz YGGLJBNMQVKBBS-UHFFFAOYSA-N 1 0 316.376 4.455 20 5 DIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC001307948412 1065695550 /nfs/dbraw/zinc/69/55/50/1065695550.db2.gz BXGBSBPWMPTTIR-YJBOKZPZSA-N 1 0 318.417 4.018 20 5 DIBDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC001307964068 1065702951 /nfs/dbraw/zinc/70/29/51/1065702951.db2.gz JMBAUWMZZYGAGI-IFQILLTASA-N 1 0 314.788 4.255 20 5 DIBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001308025697 1065730187 /nfs/dbraw/zinc/73/01/87/1065730187.db2.gz DYNBDURIKKBWFM-GOSISDBHSA-N 1 0 318.417 4.018 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(c2ccccc2)CC1 ZINC001308197069 1065807866 /nfs/dbraw/zinc/80/78/66/1065807866.db2.gz HAEUOBXFVZGQSL-VBKFSLOCSA-N 1 0 322.408 4.320 20 5 DIBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC001308347268 1065929652 /nfs/dbraw/zinc/92/96/52/1065929652.db2.gz DXDPDNQXKAPKKV-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO CCC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001308413222 1065972282 /nfs/dbraw/zinc/97/22/82/1065972282.db2.gz KNQXQXLHKHCRNU-UHFFFAOYSA-N 1 0 302.399 4.356 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC001308451355 1065997077 /nfs/dbraw/zinc/99/70/77/1065997077.db2.gz HHKYHKWPYCDEET-GFCCVEGCSA-N 1 0 302.374 4.379 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2C=CCC2)s1 ZINC001308459067 1066001070 /nfs/dbraw/zinc/00/10/70/1066001070.db2.gz WUARBDMCRCVSFN-GFCCVEGCSA-N 1 0 300.383 4.132 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC001308467308 1066007788 /nfs/dbraw/zinc/00/77/88/1066007788.db2.gz YPNQHFOLNVHVPA-MRXNPFEDSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1c(C[NH2+]Cc2ccccc2CC(C)C)cccc1[N+](=O)[O-] ZINC001308473710 1066013344 /nfs/dbraw/zinc/01/33/44/1066013344.db2.gz NXLVRERPEVVTTI-UHFFFAOYSA-N 1 0 312.413 4.392 20 5 DIBDRO Cc1c(C[NH2+]CC(C2CCC2)C2CCC2)cccc1[N+](=O)[O-] ZINC001308474681 1066014399 /nfs/dbraw/zinc/01/43/99/1066014399.db2.gz HUROUQDLXOAHMV-UHFFFAOYSA-N 1 0 302.418 4.209 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC001308521313 1066042368 /nfs/dbraw/zinc/04/23/68/1066042368.db2.gz ACZMWUJCFOQWTM-QAPCUYQASA-N 1 0 302.418 4.388 20 5 DIBDRO CCOCCOCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001308532975 1066051685 /nfs/dbraw/zinc/05/16/85/1066051685.db2.gz QOUKGDWIXTXACZ-UHFFFAOYSA-N 1 0 323.436 4.136 20 5 DIBDRO CC(C)C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC001308582546 1066098584 /nfs/dbraw/zinc/09/85/84/1066098584.db2.gz GBSAZOQQPZUOGS-UHFFFAOYSA-N 1 0 316.323 4.234 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001308596786 1066108509 /nfs/dbraw/zinc/10/85/09/1066108509.db2.gz AXGZLGUJCTVSMB-GOSISDBHSA-N 1 0 324.424 4.276 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC001308608967 1066116700 /nfs/dbraw/zinc/11/67/00/1066116700.db2.gz MZUQYOZFPJFSHC-AUUYWEPGSA-N 1 0 310.397 4.405 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC001308642279 1066134054 /nfs/dbraw/zinc/13/40/54/1066134054.db2.gz KJZCUKRRZJYELJ-HZPDHXFCSA-N 1 0 322.836 4.349 20 5 DIBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001308660615 1066142449 /nfs/dbraw/zinc/14/24/49/1066142449.db2.gz MGEPYCSFHFCSFL-GOSISDBHSA-N 1 0 314.360 4.379 20 5 DIBDRO CC(C)=CCC[C@H](C)CCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001308746236 1066218756 /nfs/dbraw/zinc/21/87/56/1066218756.db2.gz AHSPZZDRQHZLJX-INIZCTEOSA-N 1 0 319.449 4.133 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001308791425 1066266718 /nfs/dbraw/zinc/26/67/18/1066266718.db2.gz IUTBJBFNXMLMTG-FUHWJXTLSA-N 1 0 314.429 4.396 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001308791423 1066267388 /nfs/dbraw/zinc/26/73/88/1066267388.db2.gz IUTBJBFNXMLMTG-AEFFLSMTSA-N 1 0 314.429 4.396 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C2CCCC2)C1 ZINC001308809600 1066286715 /nfs/dbraw/zinc/28/67/15/1066286715.db2.gz OBHPYBXJZBNIBX-ZROIWOOFSA-N 1 0 300.402 4.120 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000078831821 185117897 /nfs/dbraw/zinc/11/78/97/185117897.db2.gz MEZFIFUINOWMIO-INIZCTEOSA-N 1 0 300.358 4.305 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000040518061 183089967 /nfs/dbraw/zinc/08/99/67/183089967.db2.gz NFBLPWDKFFRCJH-ZJUUUORDSA-N 1 0 305.403 4.080 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000272407564 130027000 /nfs/dbraw/zinc/02/70/00/130027000.db2.gz ZZLKSXIJZJHBMO-AWEZNQCLSA-N 1 0 320.433 4.244 20 5 DIBDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000297283836 132007670 /nfs/dbraw/zinc/00/76/70/132007670.db2.gz LKTJFFAOSPCNLZ-HZMBPMFUSA-N 1 0 317.414 4.088 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000119649271 132135175 /nfs/dbraw/zinc/13/51/75/132135175.db2.gz VBSIVVHMHXQFFI-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120220515 132142906 /nfs/dbraw/zinc/14/29/06/132142906.db2.gz IXAKIODQOVIDQU-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000120865747 132146927 /nfs/dbraw/zinc/14/69/27/132146927.db2.gz CTOFXTZAOJJVKZ-GHMZBOCLSA-N 1 0 306.312 4.285 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000035055404 331467763 /nfs/dbraw/zinc/46/77/63/331467763.db2.gz YWWVYDZSILMDPB-MRXNPFEDSA-N 1 0 304.777 4.489 20 5 DIBDRO CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000323065689 331629586 /nfs/dbraw/zinc/62/95/86/331629586.db2.gz NMGWORVSACEAMJ-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCc2cccc(F)c2F)cccc1[N+](=O)[O-] ZINC000557267939 331779243 /nfs/dbraw/zinc/77/92/43/331779243.db2.gz KGAMSQRRYTYWJT-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO CC[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000409457007 332033918 /nfs/dbraw/zinc/03/39/18/332033918.db2.gz JBZRUTHEWDGGNW-LBPRGKRZSA-N 1 0 318.348 4.414 20 5 DIBDRO Cc1c(C[N@@H+](Cc2cccs2)C(C)C)cccc1[N+](=O)[O-] ZINC000518596370 332090491 /nfs/dbraw/zinc/09/04/91/332090491.db2.gz UYOZBGOHBXNAJV-UHFFFAOYSA-N 1 0 304.415 4.375 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000049963431 332331214 /nfs/dbraw/zinc/33/12/14/332331214.db2.gz PYZPODASHBBZSN-MRXNPFEDSA-N 1 0 302.761 4.025 20 5 DIBDRO CCC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000560583945 332365080 /nfs/dbraw/zinc/36/50/80/332365080.db2.gz DLIZHDDGTLRVNZ-CYBMUJFWSA-N 1 0 316.323 4.368 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(C4CCC4)C3)o2)cc1 ZINC000569888838 332689613 /nfs/dbraw/zinc/68/96/13/332689613.db2.gz LXXILITVHQQQBS-UHFFFAOYSA-N 1 0 312.369 4.087 20 5 DIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccs1 ZINC000570361076 332744298 /nfs/dbraw/zinc/74/42/98/332744298.db2.gz JDAIJGAWKIQVJV-LLVKDONJSA-N 1 0 315.398 4.031 20 5 DIBDRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000462542179 332979960 /nfs/dbraw/zinc/97/99/60/332979960.db2.gz LBSOTWQFHBFQMP-KUHUBIRLSA-N 1 0 310.397 4.398 20 5 DIBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105810173 332992974 /nfs/dbraw/zinc/99/29/74/332992974.db2.gz DHSGEVBVBWVCHC-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1cc(NCCCCOC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181568699 333030874 /nfs/dbraw/zinc/03/08/74/333030874.db2.gz KTZQICOQXXDDBM-UHFFFAOYSA-N 1 0 317.389 4.069 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000111158719 333059562 /nfs/dbraw/zinc/05/95/62/333059562.db2.gz GSZNSOQLXLCAPO-MRXNPFEDSA-N 1 0 302.761 4.025 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000313849401 333072102 /nfs/dbraw/zinc/07/21/02/333072102.db2.gz RYAFFZOJWQEKTO-GOSISDBHSA-N 1 0 313.401 4.238 20 5 DIBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000466934902 333101136 /nfs/dbraw/zinc/10/11/36/333101136.db2.gz GOLVJMSKOVSGDE-UKRRQHHQSA-N 1 0 306.406 4.002 20 5 DIBDRO CCc1ccc([C@@H]([NH2+]CCCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462816443 333118347 /nfs/dbraw/zinc/11/83/47/333118347.db2.gz LKFZSMAUDBWIDD-KRWDZBQOSA-N 1 0 320.364 4.179 20 5 DIBDRO CCc1ccc([C@H]([NH2+]CCCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000462816444 333118434 /nfs/dbraw/zinc/11/84/34/333118434.db2.gz LKFZSMAUDBWIDD-QGZVFWFLSA-N 1 0 320.364 4.179 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000525880966 335127545 /nfs/dbraw/zinc/12/75/45/335127545.db2.gz KVBCZHMDMOTAGI-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000518777743 333161857 /nfs/dbraw/zinc/16/18/57/333161857.db2.gz SLVCAFHHMMZODV-UHFFFAOYSA-N 1 0 322.364 4.187 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502603437 333303867 /nfs/dbraw/zinc/30/38/67/333303867.db2.gz WRKSKBRAWCQTBA-DOMZBBRYSA-N 1 0 312.360 4.461 20 5 DIBDRO CCC[C@@H]([NH2+]CC(C)(C)COCC)c1cccc([N+](=O)[O-])c1 ZINC000319493585 333309205 /nfs/dbraw/zinc/30/92/05/333309205.db2.gz VUBMREJJVCRUIV-MRXNPFEDSA-N 1 0 308.422 4.088 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000531213145 333334908 /nfs/dbraw/zinc/33/49/08/333334908.db2.gz SZBDBYMUKCDAKK-DGCLKSJQSA-N 1 0 316.323 4.053 20 5 DIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020547485 333362754 /nfs/dbraw/zinc/36/27/54/333362754.db2.gz CHDSYJYMXUTIJC-GFCCVEGCSA-N 1 0 313.829 4.171 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000526063106 333384581 /nfs/dbraw/zinc/38/45/81/333384581.db2.gz WHGHYGDXZHBNPF-QZEGLACASA-N 1 0 323.396 4.230 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000526063107 333384625 /nfs/dbraw/zinc/38/46/25/333384625.db2.gz WHGHYGDXZHBNPF-RYBIEJRYSA-N 1 0 323.396 4.230 20 5 DIBDRO Cc1c(C[NH2+]C2CC(c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000391082413 333419267 /nfs/dbraw/zinc/41/92/67/333419267.db2.gz KZTHBNZRRYPRLX-UHFFFAOYSA-N 1 0 314.360 4.078 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000531708361 333548566 /nfs/dbraw/zinc/54/85/66/333548566.db2.gz IKJPYUHAUGFMAE-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO CCc1ccc([C@H]([NH2+]CC[C@@H](C)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000563670345 333653734 /nfs/dbraw/zinc/65/37/34/333653734.db2.gz IXGMPTKKNXBQEU-SJKOYZFVSA-N 1 0 320.364 4.177 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000531947898 334302516 /nfs/dbraw/zinc/30/25/16/334302516.db2.gz JWZRPSLTZHVRND-ZIAGYGMSSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000049507060 334342940 /nfs/dbraw/zinc/34/29/40/334342940.db2.gz ZKYOFYWBFJBQMY-LBPRGKRZSA-N 1 0 304.415 4.432 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCc2sccc21 ZINC000341558882 334452137 /nfs/dbraw/zinc/45/21/37/334452137.db2.gz FKBRLMYLBUEVBS-DRDHIDPGSA-N 1 0 314.410 4.337 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000389322936 336023848 /nfs/dbraw/zinc/02/38/48/336023848.db2.gz ORIOJVILPUGMCC-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cs1 ZINC000520698507 336026055 /nfs/dbraw/zinc/02/60/55/336026055.db2.gz SGYMIOXKNHIOJE-OAHLLOKOSA-N 1 0 316.426 4.111 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192543725 336073214 /nfs/dbraw/zinc/07/32/14/336073214.db2.gz HLJTVVZXXCVJIC-KGLIPLIRSA-N 1 0 314.385 4.405 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCC(F)(F)CC1)CCC2 ZINC000332227778 336163886 /nfs/dbraw/zinc/16/38/86/336163886.db2.gz ORPJAKCDGGUBTR-OAHLLOKOSA-N 1 0 310.344 4.140 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)CCC2 ZINC000332252441 336165127 /nfs/dbraw/zinc/16/51/27/336165127.db2.gz YBMLBHQSWCQMOH-DOMZBBRYSA-N 1 0 310.344 4.140 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)CCC2 ZINC000332252446 336165154 /nfs/dbraw/zinc/16/51/54/336165154.db2.gz YBMLBHQSWCQMOH-WFASDCNBSA-N 1 0 310.344 4.140 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)cc(F)c1)CCC2 ZINC000192633647 336202692 /nfs/dbraw/zinc/20/26/92/336202692.db2.gz HPTGOAQRFUVIRW-KRWDZBQOSA-N 1 0 318.323 4.040 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000532461397 336248741 /nfs/dbraw/zinc/24/87/41/336248741.db2.gz NQLVCHKUAUNIPB-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000532462993 336248890 /nfs/dbraw/zinc/24/88/90/336248890.db2.gz RLWBKGMEIXDGMD-KPZWWZAWSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000532478543 336251292 /nfs/dbraw/zinc/25/12/92/336251292.db2.gz NKTOZELVMOORMY-WCQYABFASA-N 1 0 304.415 4.247 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000192756763 336260562 /nfs/dbraw/zinc/26/05/62/336260562.db2.gz MBFZFMMUQCHPIA-GUYCJALGSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H](NCC(F)(F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000580381698 336262911 /nfs/dbraw/zinc/26/29/11/336262911.db2.gz RBHDJFQLEZEGFQ-GFCCVEGCSA-N 1 0 306.312 4.037 20 5 DIBDRO CCCNc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000193155351 336563980 /nfs/dbraw/zinc/56/39/80/336563980.db2.gz PLMLIGMHVDOGLZ-UHFFFAOYSA-N 1 0 313.401 4.015 20 5 DIBDRO CC[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358377620 336627268 /nfs/dbraw/zinc/62/72/68/336627268.db2.gz JJSLTBFJZYEHQT-MSOLQXFVSA-N 1 0 311.385 4.182 20 5 DIBDRO CCO[C@H](CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000361803197 336773297 /nfs/dbraw/zinc/77/32/97/336773297.db2.gz DOWXOBJZRDMQND-IAGOWNOFSA-N 1 0 308.422 4.087 20 5 DIBDRO CCO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000193432446 336896898 /nfs/dbraw/zinc/89/68/98/336896898.db2.gz PBLNRNZRBWSEJC-KSSFIOAISA-N 1 0 314.385 4.023 20 5 DIBDRO CCC[C@@H]([NH2+]CC1(CCOC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000123060985 337034856 /nfs/dbraw/zinc/03/48/56/337034856.db2.gz HVGXBVZYXCXHIL-QGZVFWFLSA-N 1 0 320.433 4.232 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000177987199 337159487 /nfs/dbraw/zinc/15/94/87/337159487.db2.gz AXRCXLYQVHDANV-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000321085797 337196888 /nfs/dbraw/zinc/19/68/88/337196888.db2.gz IZSVVPWJMQZFLY-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000583180073 337256783 /nfs/dbraw/zinc/25/67/83/337256783.db2.gz QJKRTTGZZBJOHN-AWEZNQCLSA-N 1 0 316.323 4.138 20 5 DIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(C(F)(F)F)c1 ZINC000520785431 337391042 /nfs/dbraw/zinc/39/10/42/337391042.db2.gz RPQDJHZRAWLWTG-UHFFFAOYSA-N 1 0 324.302 4.246 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](CC(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000421380652 337529271 /nfs/dbraw/zinc/52/92/71/337529271.db2.gz YVBUBWHSIKLAET-HNNXBMFYSA-N 1 0 320.339 4.389 20 5 DIBDRO C[C@H]([NH2+]Cc1cc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000536851058 337745323 /nfs/dbraw/zinc/74/53/23/337745323.db2.gz IHGBLQHHTBQIDB-LBPRGKRZSA-N 1 0 316.426 4.386 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000090886333 337886524 /nfs/dbraw/zinc/88/65/24/337886524.db2.gz NUSJJVMRABYVHI-NHYWBVRUSA-N 1 0 317.389 4.310 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000090886166 337886527 /nfs/dbraw/zinc/88/65/27/337886527.db2.gz GDGPZNOQEOLBDN-IAQYHMDHSA-N 1 0 317.389 4.310 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000122051320 337907127 /nfs/dbraw/zinc/90/71/27/337907127.db2.gz ORDFSIUQHFYJJG-JKSUJKDBSA-N 1 0 308.447 4.311 20 5 DIBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc2[nH]ccc21 ZINC000426389014 338030144 /nfs/dbraw/zinc/03/01/44/338030144.db2.gz JTJMPGQIMXETDI-YVMONPNESA-N 1 0 321.380 4.221 20 5 DIBDRO CSC[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000430200282 338101033 /nfs/dbraw/zinc/10/10/33/338101033.db2.gz UGCCMBJFTYATOY-IDJPSDCMSA-N 1 0 320.458 4.073 20 5 DIBDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000149735329 338120282 /nfs/dbraw/zinc/12/02/82/338120282.db2.gz XXRAUUDQNNDKCF-UHFFFAOYSA-N 1 0 304.415 4.244 20 5 DIBDRO C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000432424130 338156162 /nfs/dbraw/zinc/15/61/62/338156162.db2.gz NJSJQEQOUQUOGO-TUBUQKNSSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433131812 338182591 /nfs/dbraw/zinc/18/25/91/338182591.db2.gz DJLWSQYBRVFKJO-SFHVURJKSA-N 1 0 310.397 4.415 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433164536 338183765 /nfs/dbraw/zinc/18/37/65/338183765.db2.gz RNBDCQLUCIMYHF-INIZCTEOSA-N 1 0 316.426 4.477 20 5 DIBDRO CC(C)OCCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433238556 338187287 /nfs/dbraw/zinc/18/72/87/338187287.db2.gz HFUQMHNCOQJHNG-KRWDZBQOSA-N 1 0 320.433 4.112 20 5 DIBDRO CSCCCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433241311 338187486 /nfs/dbraw/zinc/18/74/86/338187486.db2.gz OJYMHKGPLWJSJA-MRXNPFEDSA-N 1 0 322.474 4.440 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]CCCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433281432 338189155 /nfs/dbraw/zinc/18/91/55/338189155.db2.gz BZQBHCBVDSQSJM-CYBMUJFWSA-N 1 0 316.323 4.249 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCCC2 ZINC000153369208 338223366 /nfs/dbraw/zinc/22/33/66/338223366.db2.gz SGMMPXPKTNWQPW-LBPRGKRZSA-N 1 0 316.426 4.386 20 5 DIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000434900336 338227289 /nfs/dbraw/zinc/22/72/89/338227289.db2.gz CWHJGZXJUHUNEX-ZFWWWQNUSA-N 1 0 314.360 4.112 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000436198400 338261626 /nfs/dbraw/zinc/26/16/26/338261626.db2.gz OIQPNKVYIRUOBK-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436280047 338265437 /nfs/dbraw/zinc/26/54/37/338265437.db2.gz CNQZGFATHXXPFK-SNRMKQJTSA-N 1 0 324.424 4.452 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000436408192 338271317 /nfs/dbraw/zinc/27/13/17/338271317.db2.gz KXICISKDJWBCGU-ZWKOTPCHSA-N 1 0 310.397 4.063 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cccc([N+](=O)[O-])c1 ZINC000156353101 338354444 /nfs/dbraw/zinc/35/44/44/338354444.db2.gz FHXZZQOFIQSEIM-JKSUJKDBSA-N 1 0 308.447 4.311 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000442822885 338433593 /nfs/dbraw/zinc/43/35/93/338433593.db2.gz YALIKZCVGBFJGO-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO C[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000446825599 338536994 /nfs/dbraw/zinc/53/69/94/338536994.db2.gz KAFBXKUVVQLVBF-CYBMUJFWSA-N 1 0 318.804 4.184 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1(c3ccccc3)CC1)CCC2 ZINC000447589503 338560136 /nfs/dbraw/zinc/56/01/36/338560136.db2.gz XYQZLBCVDICPEH-GOSISDBHSA-N 1 0 308.381 4.251 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000449136969 338596184 /nfs/dbraw/zinc/59/61/84/338596184.db2.gz WQEDJQKCLHEOBP-FZMZJTMJSA-N 1 0 319.430 4.032 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000449136971 338596298 /nfs/dbraw/zinc/59/62/98/338596298.db2.gz WQEDJQKCLHEOBP-SMDDNHRTSA-N 1 0 319.430 4.032 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449270332 338608607 /nfs/dbraw/zinc/60/86/07/338608607.db2.gz QFEFKWCWJSPSPG-AAEUAGOBSA-N 1 0 318.339 4.092 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000449350533 338616237 /nfs/dbraw/zinc/61/62/37/338616237.db2.gz MFUNTMDULFBSRU-QGZVFWFLSA-N 1 0 318.323 4.040 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c(F)cccc32)c(F)c1 ZINC000449351680 338616581 /nfs/dbraw/zinc/61/65/81/338616581.db2.gz QKVGFZMKGBSRCW-QGZVFWFLSA-N 1 0 318.323 4.040 20 5 DIBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2sccc21 ZINC000453154247 338800490 /nfs/dbraw/zinc/80/04/90/338800490.db2.gz ROYMNERTOXECNV-RISCZKNCSA-N 1 0 302.399 4.385 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453327669 338825615 /nfs/dbraw/zinc/82/56/15/338825615.db2.gz ZPYRZQISZUJVGW-JLSDUUJJSA-N 1 0 320.433 4.087 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCCF)c2ccccc2)c1 ZINC000462806197 339090279 /nfs/dbraw/zinc/09/02/79/339090279.db2.gz GCWHFEYMKMUBGD-QGZVFWFLSA-N 1 0 302.349 4.024 20 5 DIBDRO CC(C)[N@H+](CCCC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000463292635 339113768 /nfs/dbraw/zinc/11/37/68/339113768.db2.gz XCHCHGIVXXVPKH-UHFFFAOYSA-N 1 0 320.433 4.012 20 5 DIBDRO CCC[N@H+](CCc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000464593817 339146635 /nfs/dbraw/zinc/14/66/35/339146635.db2.gz OSQYPRODOSSEKR-UHFFFAOYSA-N 1 0 304.415 4.111 20 5 DIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000464781276 339153329 /nfs/dbraw/zinc/15/33/29/339153329.db2.gz XXAPCKZLKPPIAX-CABCVRRESA-N 1 0 308.447 4.009 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000466385296 339201848 /nfs/dbraw/zinc/20/18/48/339201848.db2.gz CKUGPPZYCZBKBS-SOFAQEJWSA-N 1 0 322.408 4.452 20 5 DIBDRO Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000466459517 339205847 /nfs/dbraw/zinc/20/58/47/339205847.db2.gz ZECMBXHUYVZZDE-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000467834918 339247200 /nfs/dbraw/zinc/24/72/00/339247200.db2.gz XBHFJJFLDOGJHG-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000467835110 339247247 /nfs/dbraw/zinc/24/72/47/339247247.db2.gz YMPDYERXTWGUMW-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000467853867 339247728 /nfs/dbraw/zinc/24/77/28/339247728.db2.gz JJYXEFKWJDRWSG-AWEZNQCLSA-N 1 0 323.396 4.360 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000467857590 339247850 /nfs/dbraw/zinc/24/78/50/339247850.db2.gz ZUNPCCBTTVACAI-RYUDHWBXSA-N 1 0 320.339 4.327 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000467862417 339247868 /nfs/dbraw/zinc/24/78/68/339247868.db2.gz HLIWAUFDCIAKBA-OCCSQVGLSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000467861604 339247869 /nfs/dbraw/zinc/24/78/69/339247869.db2.gz HTJFHTFIHGXCTC-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000467859040 339247875 /nfs/dbraw/zinc/24/78/75/339247875.db2.gz OFXOWISLWIBCLN-OLZOCXBDSA-N 1 0 304.415 4.186 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000467862415 339247905 /nfs/dbraw/zinc/24/79/05/339247905.db2.gz HLIWAUFDCIAKBA-GXTWGEPZSA-N 1 0 302.374 4.168 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000467859039 339247913 /nfs/dbraw/zinc/24/79/13/339247913.db2.gz OFXOWISLWIBCLN-CHWSQXEVSA-N 1 0 304.415 4.186 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCC2 ZINC000467996272 339250711 /nfs/dbraw/zinc/25/07/11/339250711.db2.gz TYHGJDNFSWNJLB-LBPRGKRZSA-N 1 0 316.426 4.038 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000468442651 339262921 /nfs/dbraw/zinc/26/29/21/339262921.db2.gz CBOOKJPYKAMTFC-OALUTQOASA-N 1 0 310.397 4.063 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468620302 339267167 /nfs/dbraw/zinc/26/71/67/339267167.db2.gz JDGDIESQDHNTBO-QSNQCMLGSA-N 1 0 320.458 4.262 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468620301 339267195 /nfs/dbraw/zinc/26/71/95/339267195.db2.gz JDGDIESQDHNTBO-NSBLKUNKSA-N 1 0 320.458 4.262 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ccccc1 ZINC000468643274 339267744 /nfs/dbraw/zinc/26/77/44/339267744.db2.gz XVTMPAAKOZPYFE-SSZFMOIBSA-N 1 0 310.397 4.221 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000470172981 339312666 /nfs/dbraw/zinc/31/26/66/339312666.db2.gz GKTJZNGCBASIOQ-LJQBUTKESA-N 1 0 308.381 4.445 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](CC1CC1)CC1CC1 ZINC000470179839 339313096 /nfs/dbraw/zinc/31/30/96/339313096.db2.gz CZMPBMGCKVDUFK-ZROIWOOFSA-N 1 0 300.402 4.120 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](CC1CC1)CC1CC1 ZINC000470179838 339313151 /nfs/dbraw/zinc/31/31/51/339313151.db2.gz CZMPBMGCKVDUFK-NTEUORMPSA-N 1 0 300.402 4.120 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000470195764 339313777 /nfs/dbraw/zinc/31/37/77/339313777.db2.gz QPORQAACCINCLB-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO CC(C)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000470362273 339318206 /nfs/dbraw/zinc/31/82/06/339318206.db2.gz DDQIVJGNSKLUPR-SNVBAGLBSA-N 1 0 304.312 4.138 20 5 DIBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000472603484 339375068 /nfs/dbraw/zinc/37/50/68/339375068.db2.gz SSCGJAYFDOHTEX-FZTPKJRKSA-N 1 0 323.396 4.086 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000474067923 339400571 /nfs/dbraw/zinc/40/05/71/339400571.db2.gz UWGDVGKYQZHMEA-RYUDHWBXSA-N 1 0 312.360 4.459 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000475343156 339448115 /nfs/dbraw/zinc/44/81/15/339448115.db2.gz QDASBBSUQWBLNG-DOTOQJQBSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cccc1[N+](=O)[O-] ZINC000478513015 339516867 /nfs/dbraw/zinc/51/68/67/339516867.db2.gz HGFVEIYOIMFCQO-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO C[C@@H]([NH2+]CCCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000479537677 339539924 /nfs/dbraw/zinc/53/99/24/339539924.db2.gz BDXQIVMRNBFOGM-CYBMUJFWSA-N 1 0 302.349 4.017 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000483149723 339654279 /nfs/dbraw/zinc/65/42/79/339654279.db2.gz BBVLNOJYJVZNMO-IAQYHMDHSA-N 1 0 300.383 4.092 20 5 DIBDRO Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483631057 339670103 /nfs/dbraw/zinc/67/01/03/339670103.db2.gz CJLKDHNXRTUIQP-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000483759454 339674073 /nfs/dbraw/zinc/67/40/73/339674073.db2.gz UWZBEADSEXIJRX-CZUORRHYSA-N 1 0 308.422 4.229 20 5 DIBDRO Cc1ccc([C@@H](C)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000483873673 339677558 /nfs/dbraw/zinc/67/75/58/339677558.db2.gz RXSVHVZQEIAVBN-MRXNPFEDSA-N 1 0 321.465 4.063 20 5 DIBDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000484480402 339687105 /nfs/dbraw/zinc/68/71/05/339687105.db2.gz NMEVLCBEQZVMRP-XNRPHZJLSA-N 1 0 308.447 4.310 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000484479376 339687113 /nfs/dbraw/zinc/68/71/13/339687113.db2.gz WROGMDQUNUFPGY-KDOFPFPSSA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000486895526 339737422 /nfs/dbraw/zinc/73/74/22/339737422.db2.gz CHIZSDMYMYEIAM-UHFFFAOYSA-N 1 0 316.426 4.344 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488412907 339780519 /nfs/dbraw/zinc/78/05/19/339780519.db2.gz DTFNIVRCWZTPIL-WHOFXGATSA-N 1 0 308.447 4.166 20 5 DIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000492113821 339891874 /nfs/dbraw/zinc/89/18/74/339891874.db2.gz ZOWNJOHOYFOMHT-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CC(C)([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000492397778 339899531 /nfs/dbraw/zinc/89/95/31/339899531.db2.gz LBTTVODISVGDFN-HZPDHXFCSA-N 1 0 310.397 4.223 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CC=CCC2)c2ccccc2)c1 ZINC000494039519 339939582 /nfs/dbraw/zinc/93/95/82/339939582.db2.gz PHYJACDVUSSVRG-IEBWSBKVSA-N 1 0 308.381 4.383 20 5 DIBDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000495156122 339976881 /nfs/dbraw/zinc/97/68/81/339976881.db2.gz LIKGNSRJJVUTTM-IBGZPJMESA-N 1 0 310.397 4.495 20 5 DIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000500227527 340053390 /nfs/dbraw/zinc/05/33/90/340053390.db2.gz KKFNQHLGIRVTQZ-QGZVFWFLSA-N 1 0 316.426 4.210 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000500424535 340058096 /nfs/dbraw/zinc/05/80/96/340058096.db2.gz LCHLULBUBYGNTF-LLPBQKLSSA-N 1 0 310.344 4.023 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000500466607 340059859 /nfs/dbraw/zinc/05/98/59/340059859.db2.gz CRWLRTJDABDXIK-KRWDZBQOSA-N 1 0 320.339 4.360 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000501868070 340090065 /nfs/dbraw/zinc/09/00/65/340090065.db2.gz ALBTXRJAVWLDBJ-GOSISDBHSA-N 1 0 310.397 4.110 20 5 DIBDRO CCSCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000502347254 340100443 /nfs/dbraw/zinc/10/04/43/340100443.db2.gz ULPHVUFPOQDELU-ZBFHGGJFSA-N 1 0 322.474 4.039 20 5 DIBDRO CCSCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000502347252 340100444 /nfs/dbraw/zinc/10/04/44/340100444.db2.gz ULPHVUFPOQDELU-GOEBONIOSA-N 1 0 322.474 4.039 20 5 DIBDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502504791 340106257 /nfs/dbraw/zinc/10/62/57/340106257.db2.gz BGJXHKUFQIKJGS-LPHOPBHVSA-N 1 0 310.397 4.318 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000502579878 340108380 /nfs/dbraw/zinc/10/83/80/340108380.db2.gz QRWKXGJDYWTMEP-OLZOCXBDSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1ccccc1[C@]1(F)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000502917677 340116617 /nfs/dbraw/zinc/11/66/17/340116617.db2.gz CULVDBZHAXZCRJ-INIZCTEOSA-N 1 0 320.389 4.035 20 5 DIBDRO CC[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000503952937 340138583 /nfs/dbraw/zinc/13/85/83/340138583.db2.gz LKSIXBYHXSINHC-SFHVURJKSA-N 1 0 323.396 4.360 20 5 DIBDRO CCCC[N@H+](CC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505903051 340181154 /nfs/dbraw/zinc/18/11/54/340181154.db2.gz MIURBMFFDAJUCJ-UHFFFAOYSA-N 1 0 319.430 4.340 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000506201595 340188533 /nfs/dbraw/zinc/18/85/33/340188533.db2.gz CVCVYAWXBVCYOL-QGZVFWFLSA-N 1 0 316.788 4.068 20 5 DIBDRO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000506718293 340199986 /nfs/dbraw/zinc/19/99/86/340199986.db2.gz IGBCSXAFUJKBHQ-CYBMUJFWSA-N 1 0 302.349 4.235 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000506732242 340200334 /nfs/dbraw/zinc/20/03/34/340200334.db2.gz VGXNBZKGPRCYFJ-ZDUSSCGKSA-N 1 0 309.369 4.269 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3[nH]ccc32)C2CC2)c1 ZINC000507172595 340211111 /nfs/dbraw/zinc/21/11/11/340211111.db2.gz FWGBPMKTNOUSQU-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000507197960 340212741 /nfs/dbraw/zinc/21/27/41/340212741.db2.gz SXDOFWYDNOKTLQ-WBVHZDCISA-N 1 0 310.397 4.454 20 5 DIBDRO C[C@@H](c1cccs1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000507442259 340219740 /nfs/dbraw/zinc/21/97/40/340219740.db2.gz OBPSXGPPHFHHEV-LJLILKBBSA-N 1 0 302.399 4.363 20 5 DIBDRO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000507518266 340223943 /nfs/dbraw/zinc/22/39/43/340223943.db2.gz CKZWTCNMNKOMDX-KBPBESRZSA-N 1 0 313.401 4.272 20 5 DIBDRO CSc1ccccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000511174912 340323221 /nfs/dbraw/zinc/32/32/21/340323221.db2.gz PLGCNKQMAGFXHL-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000303495289 340328159 /nfs/dbraw/zinc/32/81/59/340328159.db2.gz WYSUPLYSTXOGJI-XJKSGUPXSA-N 1 0 308.447 4.263 20 5 DIBDRO Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C(C)C)s1 ZINC000511841552 340339923 /nfs/dbraw/zinc/33/99/23/340339923.db2.gz HJVINZCNWSLHAF-UHFFFAOYSA-N 1 0 304.415 4.375 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000512159068 340350267 /nfs/dbraw/zinc/35/02/67/340350267.db2.gz IBBPZDYRRUGDJP-QGZVFWFLSA-N 1 0 304.365 4.056 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000512909393 340383662 /nfs/dbraw/zinc/38/36/62/340383662.db2.gz XYVRRDSSYNOHDO-UHFFFAOYSA-N 1 0 316.323 4.150 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513189418 340396080 /nfs/dbraw/zinc/39/60/80/340396080.db2.gz YAMLBKKOAOGHRR-QWHCGFSZSA-N 1 0 324.384 4.191 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000513227133 340398333 /nfs/dbraw/zinc/39/83/33/340398333.db2.gz AYUNFQLVIRCMQK-DOMZBBRYSA-N 1 0 302.399 4.239 20 5 DIBDRO CCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000225586797 340568445 /nfs/dbraw/zinc/56/84/45/340568445.db2.gz GPZDCZPLKFSRMO-UHFFFAOYSA-N 1 0 310.806 4.162 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCc2cccs2)cc1[N+](=O)[O-] ZINC000539063200 340869732 /nfs/dbraw/zinc/86/97/32/340869732.db2.gz VTCATFGDYMGLCU-ZDUSSCGKSA-N 1 0 304.415 4.248 20 5 DIBDRO CC[C@H]([NH2+]CCc1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000539217738 340877004 /nfs/dbraw/zinc/87/70/04/340877004.db2.gz LYMPTNUKYCMECT-HNNXBMFYSA-N 1 0 304.415 4.248 20 5 DIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000540160863 340919029 /nfs/dbraw/zinc/91/90/29/340919029.db2.gz PHSZPRQLLADOFT-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1ccc(SCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000540189380 340922349 /nfs/dbraw/zinc/92/23/49/340922349.db2.gz BWYXQQYFLRFUAG-CQSZACIVSA-N 1 0 316.426 4.346 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000541564842 340974816 /nfs/dbraw/zinc/97/48/16/340974816.db2.gz FONOZHVRXRWYBT-IBGZPJMESA-N 1 0 322.364 4.110 20 5 DIBDRO CC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1C ZINC000542703627 341018167 /nfs/dbraw/zinc/01/81/67/341018167.db2.gz SKRKUNQJWMOHAD-UHFFFAOYSA-N 1 0 304.415 4.029 20 5 DIBDRO CCc1ccc([C@H]([NH2+]CC(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544362439 341078127 /nfs/dbraw/zinc/07/81/27/341078127.db2.gz KUVGOZBMHWCAKG-QGZVFWFLSA-N 1 0 302.374 4.085 20 5 DIBDRO CCc1ccc([C@H]([NH2+]C2CC(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544379640 341079159 /nfs/dbraw/zinc/07/91/59/341079159.db2.gz IYGMRAPBTSFAES-OOKWDQIISA-N 1 0 314.385 4.228 20 5 DIBDRO CS[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000544384369 341079510 /nfs/dbraw/zinc/07/95/10/341079510.db2.gz NOKGJDNUODPTBD-SWLSCSKDSA-N 1 0 310.463 4.332 20 5 DIBDRO Cc1cccc2c(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3C)c[nH]c21 ZINC000544590404 341087550 /nfs/dbraw/zinc/08/75/50/341087550.db2.gz LYRYINYGVJFZFB-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000546165539 341155418 /nfs/dbraw/zinc/15/54/18/341155418.db2.gz CNYJMPMMAVBFST-ZYHUDNBSSA-N 1 0 304.312 4.285 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000546580862 341173409 /nfs/dbraw/zinc/17/34/09/341173409.db2.gz WEPFYRJYFPTXGN-IBGZPJMESA-N 1 0 310.397 4.245 20 5 DIBDRO CC1(c2ccccc2)CC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000546699247 341179402 /nfs/dbraw/zinc/17/94/02/341179402.db2.gz UVEAPWSKFGNSJV-VQHVLOKHSA-N 1 0 322.408 4.318 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000546873234 341184719 /nfs/dbraw/zinc/18/47/19/341184719.db2.gz QYKGDHJEZNCXBA-QWRGUYRKSA-N 1 0 304.312 4.285 20 5 DIBDRO C[C@H](CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000547398512 341211108 /nfs/dbraw/zinc/21/11/08/341211108.db2.gz NKGGAHMGQRDIHG-MRDWYFFCSA-N 1 0 310.397 4.391 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000237738631 341219373 /nfs/dbraw/zinc/21/93/73/341219373.db2.gz IQQVIVMYNPJRDK-GQCTYLIASA-N 1 0 312.344 4.026 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000079121492 341253993 /nfs/dbraw/zinc/25/39/93/341253993.db2.gz QHSFMCYWTYXQPC-QWHCGFSZSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccccc1C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000551517275 341343564 /nfs/dbraw/zinc/34/35/64/341343564.db2.gz DOYWOJBMJQZBEQ-LJQANCHMSA-N 1 0 324.424 4.057 20 5 DIBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000552055935 341365618 /nfs/dbraw/zinc/36/56/18/341365618.db2.gz JXAQTIIMHZUCTN-KBPBESRZSA-N 1 0 316.323 4.138 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC3(CCC3)C2)o1 ZINC000552064544 341366729 /nfs/dbraw/zinc/36/67/29/341366729.db2.gz YSICKPCDEIEVDF-UHFFFAOYSA-N 1 0 312.369 4.231 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000552339810 341387816 /nfs/dbraw/zinc/38/78/16/341387816.db2.gz DPHHQRRFGHZBRN-OLZOCXBDSA-N 1 0 324.384 4.191 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000552515104 341397119 /nfs/dbraw/zinc/39/71/19/341397119.db2.gz YJKCHBZUIOBMEX-XJKSGUPXSA-N 1 0 314.360 4.284 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(F)(F)CC1 ZINC000552925047 341408952 /nfs/dbraw/zinc/40/89/52/341408952.db2.gz UNCYQENJQUWNPT-LBPRGKRZSA-N 1 0 312.360 4.083 20 5 DIBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091937355 341429368 /nfs/dbraw/zinc/42/93/68/341429368.db2.gz ZPMOETIHIRGOAH-RYUDHWBXSA-N 1 0 317.414 4.091 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000555165335 341476432 /nfs/dbraw/zinc/47/64/32/341476432.db2.gz HUIOPARAJYLWQQ-LSOMNZGLSA-N 1 0 310.397 4.438 20 5 DIBDRO CC(C)C1([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000556230533 341498285 /nfs/dbraw/zinc/49/82/85/341498285.db2.gz NVEIFNBWCQSVLF-GDBMZVCRSA-N 1 0 302.418 4.084 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267425456 341591313 /nfs/dbraw/zinc/59/13/13/341591313.db2.gz LGZIGFUFEATQCI-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCc1cccs1)CCC2 ZINC000573082202 341716427 /nfs/dbraw/zinc/71/64/27/341716427.db2.gz VJYBEKMHIMRVFW-KRWDZBQOSA-N 1 0 316.426 4.256 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CSc2ccccc21 ZINC000577191822 341895890 /nfs/dbraw/zinc/89/58/90/341895890.db2.gz XRPUHBRGNIKOLB-CABCVRRESA-N 1 0 312.394 4.019 20 5 DIBDRO C[C@H](C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000577903019 341947752 /nfs/dbraw/zinc/94/77/52/341947752.db2.gz WQRBUXFTQXRSIL-CQSZACIVSA-N 1 0 323.396 4.012 20 5 DIBDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000164115430 519795012 /nfs/dbraw/zinc/79/50/12/519795012.db2.gz HWWKBTKPPKUYRM-KBXCAEBGSA-N 1 0 313.401 4.080 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000119379860 519836266 /nfs/dbraw/zinc/83/62/66/519836266.db2.gz XYZPIMWBXCZGPZ-MRXNPFEDSA-N 1 0 314.385 4.478 20 5 DIBDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267471591 521583387 /nfs/dbraw/zinc/58/33/87/521583387.db2.gz YAISNHBOIQELRC-KBPBESRZSA-N 1 0 314.385 4.405 20 5 DIBDRO COCC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000338019004 521861446 /nfs/dbraw/zinc/86/14/46/521861446.db2.gz NWPGUXDORFTNQA-IAGOWNOFSA-N 1 0 320.433 4.013 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130546052 522760563 /nfs/dbraw/zinc/76/05/63/522760563.db2.gz WSHWHRHOAOZAKD-IRXDYDNUSA-N 1 0 312.369 4.029 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000337197534 522890532 /nfs/dbraw/zinc/89/05/32/522890532.db2.gz YQXXLVBHXFJJNO-GOSISDBHSA-N 1 0 321.380 4.384 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127090326 522928305 /nfs/dbraw/zinc/92/83/05/522928305.db2.gz FLZMVNKGJFOCFH-NVXWUHKLSA-N 1 0 318.417 4.127 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130546262 522950562 /nfs/dbraw/zinc/95/05/62/522950562.db2.gz WSHWHRHOAOZAKD-SJORKVTESA-N 1 0 312.369 4.029 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000160459988 524088902 /nfs/dbraw/zinc/08/89/02/524088902.db2.gz YEWILPJSVOXBEX-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000192834627 525649991 /nfs/dbraw/zinc/64/99/91/525649991.db2.gz QTJLAXOFAASFTA-MLGOLLRUSA-N 1 0 314.410 4.483 20 5 DIBDRO CSCc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000188715691 525738625 /nfs/dbraw/zinc/73/86/25/525738625.db2.gz RVCHETCQEILRHZ-CYBMUJFWSA-N 1 0 316.426 4.309 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000127229043 525750454 /nfs/dbraw/zinc/75/04/54/525750454.db2.gz AFCPRGDQFUTPBF-ZBFHGGJFSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000181235880 525935799 /nfs/dbraw/zinc/93/57/99/525935799.db2.gz DVJNJIKITKVGIS-RYUDHWBXSA-N 1 0 319.792 4.363 20 5 DIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610215806 1035752984 /nfs/dbraw/zinc/75/29/84/1035752984.db2.gz ZOPFHKVANROFAO-OAHLLOKOSA-N 1 0 316.376 4.187 20 5 DIBDRO CCOc1cc(C[N@H+](C)CCC2CCCCC2)ccc1[N+](=O)[O-] ZINC001167273505 1036352123 /nfs/dbraw/zinc/35/21/23/1036352123.db2.gz JEXMPBNNVQGXCN-UHFFFAOYSA-N 1 0 320.433 4.396 20 5 DIBDRO Cc1c(C[NH2+]C2CC(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000323065726 1036470339 /nfs/dbraw/zinc/47/03/39/1036470339.db2.gz NMRWEGOUCLRPKJ-UHFFFAOYSA-N 1 0 314.360 4.078 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCCCC1 ZINC001167302423 1036557218 /nfs/dbraw/zinc/55/72/18/1036557218.db2.gz PUAANCOXULMZOA-UHFFFAOYSA-N 1 0 321.377 4.048 20 5 DIBDRO CCc1cccc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)oc21 ZINC001648882524 1036669611 /nfs/dbraw/zinc/66/96/11/1036669611.db2.gz SQVCFBYRBYQFHU-UHFFFAOYSA-N 1 0 310.353 4.193 20 5 DIBDRO C[N@H+](CCc1ccccc1F)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167337917 1036807018 /nfs/dbraw/zinc/80/70/18/1036807018.db2.gz YENINDDAOMUTMI-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000610089366 1036925750 /nfs/dbraw/zinc/92/57/50/1036925750.db2.gz RQFMAPXWFICEGP-ZDUSSCGKSA-N 1 0 302.374 4.237 20 5 DIBDRO CCOc1cc(C[N@H+]([C@@H](C)[C@H](C)CC)C2CC2)ccc1[N+](=O)[O-] ZINC001167356339 1036961887 /nfs/dbraw/zinc/96/18/87/1036961887.db2.gz MSIYNRPWVXNVTB-KGLIPLIRSA-N 1 0 320.433 4.393 20 5 DIBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC001167356103 1036962240 /nfs/dbraw/zinc/96/22/40/1036962240.db2.gz JKSYBZKBRWYUQV-NWDGAFQWSA-N 1 0 324.396 4.142 20 5 DIBDRO CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC001167377991 1037041186 /nfs/dbraw/zinc/04/11/86/1037041186.db2.gz XTXZEFMSDFRJLN-HNNXBMFYSA-N 1 0 320.433 4.394 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCSc1ccccc1 ZINC000579542984 1037052973 /nfs/dbraw/zinc/05/29/73/1037052973.db2.gz UBCQKGZTPGBTCL-CQSZACIVSA-N 1 0 316.426 4.346 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000126116433 1037382859 /nfs/dbraw/zinc/38/28/59/1037382859.db2.gz JKNDUDYTACJFFY-GOSISDBHSA-N 1 0 314.385 4.234 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCSCC2)cc1[N+](=O)[O-] ZINC000187360657 1037430204 /nfs/dbraw/zinc/43/02/04/1037430204.db2.gz OKLLJGMZUXTSQP-STQMWFEESA-N 1 0 308.447 4.086 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1C ZINC000177986674 1037573717 /nfs/dbraw/zinc/57/37/17/1037573717.db2.gz YEDJMLXTEIFFFT-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000581396392 1037580712 /nfs/dbraw/zinc/58/07/12/1037580712.db2.gz AECGVEWHEOHYHZ-HVEPWOEZSA-N 1 0 323.396 4.230 20 5 DIBDRO CC(C)([NH2+]Cc1ccccc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610575214 1037640124 /nfs/dbraw/zinc/64/01/24/1037640124.db2.gz OUHXEKKATDTHMV-UHFFFAOYSA-N 1 0 310.397 4.497 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)cs1 ZINC000610511592 1037768763 /nfs/dbraw/zinc/76/87/63/1037768763.db2.gz LZUVSUNZIYQMGI-MNOVXSKESA-N 1 0 322.352 4.115 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000610518237 1037806596 /nfs/dbraw/zinc/80/65/96/1037806596.db2.gz YYFHTJVNRMBAGR-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3cccnc3c2)cc1[N+](=O)[O-] ZINC000610518235 1037808617 /nfs/dbraw/zinc/80/86/17/1037808617.db2.gz XABJGQVIVULBKY-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc([C@@H](C)NCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000610517879 1037814928 /nfs/dbraw/zinc/81/49/28/1037814928.db2.gz IIEJILCAIPVBIR-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581734 1038203159 /nfs/dbraw/zinc/20/31/59/1038203159.db2.gz LJJMUQQUMVVHTR-NWDGAFQWSA-N 1 0 317.389 4.135 20 5 DIBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582168 1038203790 /nfs/dbraw/zinc/20/37/90/1038203790.db2.gz FMNRXWVGYZTTOT-DOMZBBRYSA-N 1 0 317.389 4.137 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c(F)c1 ZINC000598996445 1038213586 /nfs/dbraw/zinc/21/35/86/1038213586.db2.gz RPYLGUZPEDSLDH-MRXNPFEDSA-N 1 0 320.751 4.164 20 5 DIBDRO Cc1cccc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C(C)C)c1 ZINC000598998472 1038214351 /nfs/dbraw/zinc/21/43/51/1038214351.db2.gz SKOXVEMBGQCIMW-MRXNPFEDSA-N 1 0 304.415 4.452 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c(F)c1 ZINC000598996444 1038214488 /nfs/dbraw/zinc/21/44/88/1038214488.db2.gz RPYLGUZPEDSLDH-INIZCTEOSA-N 1 0 320.751 4.164 20 5 DIBDRO Cc1cccc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C(C)C)c1 ZINC000598998463 1038214961 /nfs/dbraw/zinc/21/49/61/1038214961.db2.gz SKOXVEMBGQCIMW-INIZCTEOSA-N 1 0 304.415 4.452 20 5 DIBDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599064844 1038229903 /nfs/dbraw/zinc/22/99/03/1038229903.db2.gz FSESRBGVVJOJFL-UGSOOPFHSA-N 1 0 311.385 4.182 20 5 DIBDRO CC[N@H+](Cc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000603846176 1038299019 /nfs/dbraw/zinc/29/90/19/1038299019.db2.gz ZSWWKDRECDLNHO-UHFFFAOYSA-N 1 0 302.349 4.064 20 5 DIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000603866501 1038307511 /nfs/dbraw/zinc/30/75/11/1038307511.db2.gz USFZEMDAFZMHNB-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000603897065 1038314583 /nfs/dbraw/zinc/31/45/83/1038314583.db2.gz PYGIFTVIDWKCIC-LJQANCHMSA-N 1 0 310.397 4.283 20 5 DIBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000603955188 1038331974 /nfs/dbraw/zinc/33/19/74/1038331974.db2.gz XPHIJLZORIVTLG-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000604560999 1038423352 /nfs/dbraw/zinc/42/33/52/1038423352.db2.gz KQTMNGIYGKIIPX-IBGZPJMESA-N 1 0 310.397 4.192 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000061778848 1038450734 /nfs/dbraw/zinc/45/07/34/1038450734.db2.gz DXMXKELMMIWEAH-LBPRGKRZSA-N 1 0 304.777 4.441 20 5 DIBDRO Cc1ccc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000611583614 1038620539 /nfs/dbraw/zinc/62/05/39/1038620539.db2.gz LUGUHPWSASONJE-INIZCTEOSA-N 1 0 312.413 4.495 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccsc2)cccc1[N+](=O)[O-] ZINC000051853005 1038762039 /nfs/dbraw/zinc/76/20/39/1038762039.db2.gz BSZAHDVHXVTARS-MRXNPFEDSA-N 1 0 302.399 4.302 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178649729 1038847330 /nfs/dbraw/zinc/84/73/30/1038847330.db2.gz KFDUGDPXPQEQLO-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])s2)c1 ZINC000064029651 1038939849 /nfs/dbraw/zinc/93/98/49/1038939849.db2.gz IMNLEQIHQWGSIU-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)cs1 ZINC000608977486 1038949113 /nfs/dbraw/zinc/94/91/13/1038949113.db2.gz NSAGMOGHPDRPKB-INIZCTEOSA-N 1 0 316.426 4.426 20 5 DIBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001167620695 1038949107 /nfs/dbraw/zinc/94/91/07/1038949107.db2.gz QOGXJFCSONULFJ-DOTOQJQBSA-N 1 0 310.397 4.048 20 5 DIBDRO Cc1cc(C)c(N2C(C)(C)CC([NH3+])CC2(C)C)c(C)c1[N+](=O)[O-] ZINC001167625427 1038973880 /nfs/dbraw/zinc/97/38/80/1038973880.db2.gz XOMIRIWMEHMQLS-UHFFFAOYSA-N 1 0 319.449 4.005 20 5 DIBDRO C[C@@H]([N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000534113291 1038985702 /nfs/dbraw/zinc/98/57/02/1038985702.db2.gz AOBCGUUODWZDLT-GFCCVEGCSA-N 1 0 317.389 4.116 20 5 DIBDRO C[C@H]([N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000534113302 1038986001 /nfs/dbraw/zinc/98/60/01/1038986001.db2.gz AOBCGUUODWZDLT-LBPRGKRZSA-N 1 0 317.389 4.116 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000061359995 1039042906 /nfs/dbraw/zinc/04/29/06/1039042906.db2.gz NYBNJQXIUGPYPX-CQSZACIVSA-N 1 0 322.817 4.477 20 5 DIBDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000079723943 1039183931 /nfs/dbraw/zinc/18/39/31/1039183931.db2.gz ZGPLGFFQFRQBPO-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000609075917 1039209328 /nfs/dbraw/zinc/20/93/28/1039209328.db2.gz QXIAEJFCDBIVSP-HNNXBMFYSA-N 1 0 312.413 4.359 20 5 DIBDRO O=[N+]([O-])c1ncccc1Nc1ccc(NC2CCCCC2)cc1 ZINC000609075307 1039212579 /nfs/dbraw/zinc/21/25/79/1039212579.db2.gz KMSJIJRMRVDVGB-UHFFFAOYSA-N 1 0 312.373 4.478 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000442761405 1039221110 /nfs/dbraw/zinc/22/11/10/1039221110.db2.gz BWYFCADSSUNOSQ-CYBMUJFWSA-N 1 0 316.426 4.210 20 5 DIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000539824376 1039342245 /nfs/dbraw/zinc/34/22/45/1039342245.db2.gz ASORUHVWCOEPHC-LSDHHAIUSA-N 1 0 308.447 4.009 20 5 DIBDRO CCSCC[C@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000539823530 1039352934 /nfs/dbraw/zinc/35/29/34/1039352934.db2.gz FDLRZQXRASHDSQ-KGXGESDWSA-N 1 0 308.447 4.072 20 5 DIBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572967582 1039353758 /nfs/dbraw/zinc/35/37/58/1039353758.db2.gz LXZGPNBXWZYZQW-UWVGGRQHSA-N 1 0 304.312 4.138 20 5 DIBDRO C[C@@H]([NH2+]CCCSc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540172357 1039437786 /nfs/dbraw/zinc/43/77/86/1039437786.db2.gz ANRSDCXLDVMRGH-CQSZACIVSA-N 1 0 316.426 4.428 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000540164786 1039440270 /nfs/dbraw/zinc/44/02/70/1039440270.db2.gz XILCEPDEXOWTIX-YRPNKDGESA-N 1 0 322.408 4.221 20 5 DIBDRO Cc1ccsc1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540315470 1039472383 /nfs/dbraw/zinc/47/23/83/1039472383.db2.gz IPLQNXRGKSGXKY-ZDUSSCGKSA-N 1 0 304.415 4.166 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000540778890 1039567112 /nfs/dbraw/zinc/56/71/12/1039567112.db2.gz POSOXMBUPVCVDL-HRCADAONSA-N 1 0 320.433 4.148 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCc2ccsc2)C2CC2)c1 ZINC000542103934 1039792253 /nfs/dbraw/zinc/79/22/53/1039792253.db2.gz SPSJWUGEEVSRHZ-UHFFFAOYSA-N 1 0 316.426 4.254 20 5 DIBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-] ZINC000491385903 1039835950 /nfs/dbraw/zinc/83/59/50/1039835950.db2.gz GVTJXQNVAGJYCK-UHFFFAOYSA-N 1 0 310.397 4.072 20 5 DIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000443851563 1039891548 /nfs/dbraw/zinc/89/15/48/1039891548.db2.gz IRHMTWWHIGTJSG-UHFFFAOYSA-N 1 0 323.396 4.407 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1ccccc1F ZINC000492005564 1039904125 /nfs/dbraw/zinc/90/41/25/1039904125.db2.gz YRWHSAUENPYRNR-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2ncccc2c1)c1ccccc1[N+](=O)[O-] ZINC000492270730 1039945024 /nfs/dbraw/zinc/94/50/24/1039945024.db2.gz DZBPZXUNTCLNFU-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000492397780 1039956067 /nfs/dbraw/zinc/95/60/67/1039956067.db2.gz LBTTVODISVGDFN-JKSUJKDBSA-N 1 0 310.397 4.223 20 5 DIBDRO CCSc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000492457861 1039969698 /nfs/dbraw/zinc/96/96/98/1039969698.db2.gz BSPDCDZAQBBESE-UHFFFAOYSA-N 1 0 316.426 4.305 20 5 DIBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000728592923 1039984692 /nfs/dbraw/zinc/98/46/92/1039984692.db2.gz DGIVKIZONHQDOW-ALCCZGGFSA-N 1 0 314.360 4.272 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000492855665 1040032064 /nfs/dbraw/zinc/03/20/64/1040032064.db2.gz ZDJXMEYWICPOTA-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CC(C)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236699447 1040638985 /nfs/dbraw/zinc/63/89/85/1040638985.db2.gz ORZFQNZJMHKXTA-UHFFFAOYSA-N 1 0 319.430 4.244 20 5 DIBDRO Cc1ccccc1C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000581086575 1040839959 /nfs/dbraw/zinc/83/99/59/1040839959.db2.gz JVNBOIIIWHWOQL-FQEVSTJZSA-N 1 0 324.424 4.057 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000092856834 1041119933 /nfs/dbraw/zinc/11/99/33/1041119933.db2.gz KCXHVUFFBZMMBM-KPZWWZAWSA-N 1 0 314.360 4.462 20 5 DIBDRO CC(C)(CCO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000236590207 1041268821 /nfs/dbraw/zinc/26/88/21/1041268821.db2.gz XRZXOILNSSUZCV-UHFFFAOYSA-N 1 0 307.437 4.491 20 5 DIBDRO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC1CC1 ZINC000809945880 1041276571 /nfs/dbraw/zinc/27/65/71/1041276571.db2.gz FWNAZXIZSNDGOT-UHFFFAOYSA-N 1 0 303.189 4.134 20 5 DIBDRO CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCC1 ZINC000809948087 1041281942 /nfs/dbraw/zinc/28/19/42/1041281942.db2.gz STNWDGNXHIYNSV-UHFFFAOYSA-N 1 0 303.189 4.276 20 5 DIBDRO c1n[nH]cc1CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000810165757 1041321885 /nfs/dbraw/zinc/32/18/85/1041321885.db2.gz BFBMGNUPGUPGGP-UHFFFAOYSA-N 1 0 301.393 4.048 20 5 DIBDRO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000051100076 1041424867 /nfs/dbraw/zinc/42/48/67/1041424867.db2.gz BEDMVXRHUOBZNB-BZNIZROVSA-N 1 0 302.399 4.458 20 5 DIBDRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000051100075 1041427142 /nfs/dbraw/zinc/42/71/42/1041427142.db2.gz BEDMVXRHUOBZNB-ZBEGNZNMSA-N 1 0 302.399 4.458 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000517495600 1041461022 /nfs/dbraw/zinc/46/10/22/1041461022.db2.gz CQWISDXWZBYCGK-CYBMUJFWSA-N 1 0 318.417 4.367 20 5 DIBDRO CC[C@H](c1ccncc1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290496680 1041511552 /nfs/dbraw/zinc/51/15/52/1041511552.db2.gz OVZPKGKQSCMJGH-DBWMJRBXSA-N 1 0 311.385 4.086 20 5 DIBDRO CC(C)(NCc1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000103481951 1041520479 /nfs/dbraw/zinc/52/04/79/1041520479.db2.gz WWISASYDWKVUTJ-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811493684 1041524832 /nfs/dbraw/zinc/52/48/32/1041524832.db2.gz MZBAXHNNXIUTQL-KCJUWKMLSA-N 1 0 303.189 4.180 20 5 DIBDRO CC(C)[C@H]1CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811472031 1041525958 /nfs/dbraw/zinc/52/59/58/1041525958.db2.gz SHIVNMYTPFEKPT-GFCCVEGCSA-N 1 0 303.189 4.132 20 5 DIBDRO C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000811475623 1041527151 /nfs/dbraw/zinc/52/71/51/1041527151.db2.gz ISDYJZINMBKGSB-MRVPVSSYSA-N 1 0 303.189 4.037 20 5 DIBDRO CC(C)([NH2+]Cc1ccccc1CF)c1ccccc1[N+](=O)[O-] ZINC000930555935 1041533524 /nfs/dbraw/zinc/53/35/24/1041533524.db2.gz YKGTZCKNVFLSRA-UHFFFAOYSA-N 1 0 302.349 4.089 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104702354 1041556732 /nfs/dbraw/zinc/55/67/32/1041556732.db2.gz QFKMGJHALZWUQK-SFHVURJKSA-N 1 0 314.360 4.365 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccsc1)CCCC2 ZINC000417333303 1041658721 /nfs/dbraw/zinc/65/87/21/1041658721.db2.gz YTMCAMTYBNTKKK-INIZCTEOSA-N 1 0 302.399 4.214 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000217198347 1041870069 /nfs/dbraw/zinc/87/00/69/1041870069.db2.gz SMJHFCDGPWUCBE-QGZVFWFLSA-N 1 0 304.365 4.056 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000815587887 1041968423 /nfs/dbraw/zinc/96/84/23/1041968423.db2.gz WTDOKRICAYKOFF-VXGBXAGGSA-N 1 0 317.364 4.036 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000048334969 1041989556 /nfs/dbraw/zinc/98/95/56/1041989556.db2.gz WGXURXTYWFHETH-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000112017764 1041993411 /nfs/dbraw/zinc/99/34/11/1041993411.db2.gz KBDFFEVHYBFZQM-HNNXBMFYSA-N 1 0 302.761 4.025 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cnc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000397091959 1042175642 /nfs/dbraw/zinc/17/56/42/1042175642.db2.gz KNFLWYPNCXRUHF-GOSISDBHSA-N 1 0 313.401 4.238 20 5 DIBDRO CC[C@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000107717967 1042302927 /nfs/dbraw/zinc/30/29/27/1042302927.db2.gz AUNOJCHNROFWEE-SFHVURJKSA-N 1 0 314.385 4.018 20 5 DIBDRO CC(C)([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000823167455 1042315850 /nfs/dbraw/zinc/31/58/50/1042315850.db2.gz GWRFJGJNRDYBFJ-SNVBAGLBSA-N 1 0 317.216 4.003 20 5 DIBDRO CC(C)([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000823167454 1042315976 /nfs/dbraw/zinc/31/59/76/1042315976.db2.gz GWRFJGJNRDYBFJ-JTQLQIEISA-N 1 0 317.216 4.003 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001171017861 1042326662 /nfs/dbraw/zinc/32/66/62/1042326662.db2.gz JLGJSVKHCHHYLS-UXHICEINSA-N 1 0 324.424 4.405 20 5 DIBDRO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 ZINC000279634732 1042326680 /nfs/dbraw/zinc/32/66/80/1042326680.db2.gz ZOQUGCYLKQLZJV-VIFPVBQESA-N 1 0 314.263 4.057 20 5 DIBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000237386034 1042377076 /nfs/dbraw/zinc/37/70/76/1042377076.db2.gz NJMRQURJAJGOHI-HZPDHXFCSA-N 1 0 307.437 4.490 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3sc(Cl)cc32)cc1 ZINC000123368255 1042381206 /nfs/dbraw/zinc/38/12/06/1042381206.db2.gz DQYZGLXUQXSIIU-LBPRGKRZSA-N 1 0 308.790 4.087 20 5 DIBDRO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000728928447 1042386404 /nfs/dbraw/zinc/38/64/04/1042386404.db2.gz WRIGDZVFVIJAFG-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000573505825 1042410044 /nfs/dbraw/zinc/41/00/44/1042410044.db2.gz NAAWXIAVRAIQEL-HNNXBMFYSA-N 1 0 320.751 4.164 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000092856818 1042453271 /nfs/dbraw/zinc/45/32/71/1042453271.db2.gz HQQGFVXRKGJRCY-SJCJKPOMSA-N 1 0 314.360 4.462 20 5 DIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433294401 1042465057 /nfs/dbraw/zinc/46/50/57/1042465057.db2.gz LRRCOKGJERTCBI-XHDPSFHLSA-N 1 0 324.371 4.485 20 5 DIBDRO CS[C@@H]1CC[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302140099 1042466802 /nfs/dbraw/zinc/46/68/02/1042466802.db2.gz FDEDVUKNKGERIQ-DGCLKSJQSA-N 1 0 317.414 4.147 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000231791864 1042628029 /nfs/dbraw/zinc/62/80/29/1042628029.db2.gz SIQFOPBHUVMPJN-MFKMUULPSA-N 1 0 304.312 4.367 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000231884444 1042668116 /nfs/dbraw/zinc/66/81/16/1042668116.db2.gz NVANYRPECCCSEC-GFCCVEGCSA-N 1 0 304.415 4.378 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(C)C ZINC000517094433 1042867087 /nfs/dbraw/zinc/86/70/87/1042867087.db2.gz UMNUPJNDVPLSCY-INIZCTEOSA-N 1 0 306.406 4.002 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000266430277 1042951845 /nfs/dbraw/zinc/95/18/45/1042951845.db2.gz DBZCWPGYCHYNST-WFASDCNBSA-N 1 0 314.410 4.483 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000519750989 1043001590 /nfs/dbraw/zinc/00/15/90/1043001590.db2.gz SCLHRIPQASIMBR-HIFPTAJRSA-N 1 0 312.360 4.378 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000441335295 1043036482 /nfs/dbraw/zinc/03/64/82/1043036482.db2.gz FMGWXLCRPDONQN-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649381 1043134319 /nfs/dbraw/zinc/13/43/19/1043134319.db2.gz KEIHGVVPZULQTE-APPDUMDISA-N 1 0 300.333 4.072 20 5 DIBDRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178651299 1043135455 /nfs/dbraw/zinc/13/54/55/1043135455.db2.gz PLAQSKLGORRNNW-KBPBESRZSA-N 1 0 314.385 4.405 20 5 DIBDRO COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178654461 1043135583 /nfs/dbraw/zinc/13/55/83/1043135583.db2.gz DSAXVERDEZAWME-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000441461292 1043138751 /nfs/dbraw/zinc/13/87/51/1043138751.db2.gz FUBVXCXFHWQPGQ-WBVHZDCISA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441490046 1043182278 /nfs/dbraw/zinc/18/22/78/1043182278.db2.gz VJVKKZFKJCHAHN-XUJVJEKNSA-N 1 0 308.809 4.401 20 5 DIBDRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186127174 1043214834 /nfs/dbraw/zinc/21/48/34/1043214834.db2.gz RQMGAPOCJSVHLK-GHMZBOCLSA-N 1 0 306.387 4.077 20 5 DIBDRO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186127117 1043215807 /nfs/dbraw/zinc/21/58/07/1043215807.db2.gz RQMGAPOCJSVHLK-QWRGUYRKSA-N 1 0 306.387 4.077 20 5 DIBDRO COCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000184732247 1043222840 /nfs/dbraw/zinc/22/28/40/1043222840.db2.gz YVSSQVWDRQRJCX-OAHLLOKOSA-N 1 0 320.433 4.232 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000866607851 1043232544 /nfs/dbraw/zinc/23/25/44/1043232544.db2.gz VQRJKFJMVMXYCY-RAIGVLPGSA-N 1 0 314.307 4.143 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000192895635 1043276933 /nfs/dbraw/zinc/27/69/33/1043276933.db2.gz RUMBAPLYEFHRPS-ZWKOTPCHSA-N 1 0 311.385 4.108 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000192895667 1043278138 /nfs/dbraw/zinc/27/81/38/1043278138.db2.gz RUMBAPLYEFHRPS-ROUUACIJSA-N 1 0 311.385 4.108 20 5 DIBDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000389587132 1043405827 /nfs/dbraw/zinc/40/58/27/1043405827.db2.gz NIMBFXITPYQUIR-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccs1 ZINC000872018456 1043419095 /nfs/dbraw/zinc/41/90/95/1043419095.db2.gz MHTNNWYWVGNRRJ-JTQLQIEISA-N 1 0 308.428 4.229 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000872015938 1043419381 /nfs/dbraw/zinc/41/93/81/1043419381.db2.gz ANNILCIEHUQDKE-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000872018791 1043421484 /nfs/dbraw/zinc/42/14/84/1043421484.db2.gz PLEDZRQGKGXDEI-VXGBXAGGSA-N 1 0 317.414 4.124 20 5 DIBDRO CC(C)OC1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872051485 1043435975 /nfs/dbraw/zinc/43/59/75/1043435975.db2.gz JDANCJJVYNBBAF-HSBZDZAISA-N 1 0 324.396 4.121 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000872088495 1043456521 /nfs/dbraw/zinc/45/65/21/1043456521.db2.gz RHMTUQPPNFIUFV-VHSXEESVSA-N 1 0 316.373 4.013 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873183823 1043523752 /nfs/dbraw/zinc/52/37/52/1043523752.db2.gz LFUXWQPGLFWYMD-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000522069557 1043530528 /nfs/dbraw/zinc/53/05/28/1043530528.db2.gz XOJHAOZESNYYHE-AWEZNQCLSA-N 1 0 316.788 4.238 20 5 DIBDRO Cc1c(C[NH2+]Cc2csc3ccccc23)cccc1[N+](=O)[O-] ZINC000389592762 1043551521 /nfs/dbraw/zinc/55/15/21/1043551521.db2.gz IFNQQZBUJWWNHJ-UHFFFAOYSA-N 1 0 312.394 4.408 20 5 DIBDRO Cc1cccc(OCCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000749840704 1043560607 /nfs/dbraw/zinc/56/06/07/1043560607.db2.gz PEFSSBJNPJSOOU-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C(F)F)c1 ZINC000558739456 1043583823 /nfs/dbraw/zinc/58/38/23/1043583823.db2.gz LVLQROUAZRSFSH-UHFFFAOYSA-N 1 0 320.339 4.207 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000927063069 1043678090 /nfs/dbraw/zinc/67/80/90/1043678090.db2.gz TYKJYILTHOWNRM-BBRMVZONSA-N 1 0 311.385 4.026 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c(F)c1 ZINC000355479369 1043769865 /nfs/dbraw/zinc/76/98/65/1043769865.db2.gz AFQPRZPOKMZIMS-QGZVFWFLSA-N 1 0 318.323 4.040 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CF)cc2)cc1[N+](=O)[O-] ZINC000777725191 1043784959 /nfs/dbraw/zinc/78/49/59/1043784959.db2.gz HGQOKCXEHJITJV-ZDUSSCGKSA-N 1 0 302.349 4.224 20 5 DIBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000237369181 1043839038 /nfs/dbraw/zinc/83/90/38/1043839038.db2.gz QZBUFNVBWPTQOL-GFCCVEGCSA-N 1 0 316.426 4.386 20 5 DIBDRO CSc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177795 1044107122 /nfs/dbraw/zinc/10/71/22/1044107122.db2.gz SHHAJVASRJEFJU-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO C[C@H](Cc1ccsc1)[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000562387039 1044107687 /nfs/dbraw/zinc/10/76/87/1044107687.db2.gz AKJWKWXKESCBFT-GFCCVEGCSA-N 1 0 304.415 4.112 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000359225834 1044145684 /nfs/dbraw/zinc/14/56/84/1044145684.db2.gz GETICLQPTNHJHN-SJCJKPOMSA-N 1 0 317.364 4.321 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000359315258 1044154280 /nfs/dbraw/zinc/15/42/80/1044154280.db2.gz SFGHROWYKKYOHH-FZKQIMNGSA-N 1 0 313.401 4.354 20 5 DIBDRO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293790389 1044329827 /nfs/dbraw/zinc/32/98/27/1044329827.db2.gz MNIINDHJUMECLR-ZDUSSCGKSA-N 1 0 313.401 4.272 20 5 DIBDRO COc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000102535263 1044345446 /nfs/dbraw/zinc/34/54/46/1044345446.db2.gz BEPZRAMDRIDSBG-SFHVURJKSA-N 1 0 314.385 4.090 20 5 DIBDRO CC(C)([NH2+]Cc1nccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001202579861 1044362562 /nfs/dbraw/zinc/36/25/62/1044362562.db2.gz UQHUYANSFYYJLZ-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO Cc1cccnc1[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000118840172 1044487971 /nfs/dbraw/zinc/48/79/71/1044487971.db2.gz MZFVBEWRAYDUHE-KRWDZBQOSA-N 1 0 313.401 4.094 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000475560030 1044499323 /nfs/dbraw/zinc/49/93/23/1044499323.db2.gz RBXPEQWVPPUNPD-RDJZCZTQSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000475560031 1044500044 /nfs/dbraw/zinc/50/00/44/1044500044.db2.gz RBXPEQWVPPUNPD-WBVHZDCISA-N 1 0 314.360 4.160 20 5 DIBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCC1 ZINC000567094522 1044540961 /nfs/dbraw/zinc/54/09/61/1044540961.db2.gz DSGAIQJJCSUJGF-UHFFFAOYSA-N 1 0 316.323 4.377 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000610009926 1044545378 /nfs/dbraw/zinc/54/53/78/1044545378.db2.gz FOPNIRHBVHRBJA-IEBWSBKVSA-N 1 0 310.397 4.096 20 5 DIBDRO CC(C)(C)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886052615 1044603581 /nfs/dbraw/zinc/60/35/81/1044603581.db2.gz UVYPNLBMJHLIJZ-HNNXBMFYSA-N 1 0 317.364 4.006 20 5 DIBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000296321713 1044607609 /nfs/dbraw/zinc/60/76/09/1044607609.db2.gz GWOYFPUZFQEDIR-IIYDPXPESA-N 1 0 312.369 4.158 20 5 DIBDRO Cc1cccc([C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000886111484 1044616781 /nfs/dbraw/zinc/61/67/81/1044616781.db2.gz CFKPQBOTDGPZJR-INIZCTEOSA-N 1 0 313.401 4.175 20 5 DIBDRO CC(C)(C)C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886107319 1044616841 /nfs/dbraw/zinc/61/68/41/1044616841.db2.gz PAJOCPJRYDFHOR-INIZCTEOSA-N 1 0 313.401 4.257 20 5 DIBDRO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000268758439 1044650421 /nfs/dbraw/zinc/65/04/21/1044650421.db2.gz KMNYCBRDNFUXSW-QFWMXSHPSA-N 1 0 316.323 4.367 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523790733 1044684720 /nfs/dbraw/zinc/68/47/20/1044684720.db2.gz XGLDCEMPHYDTOB-YJBOKZPZSA-N 1 0 310.397 4.015 20 5 DIBDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513326 1044740277 /nfs/dbraw/zinc/74/02/77/1044740277.db2.gz OSIZSWTUGJJUAL-NSHDSACASA-N 1 0 319.430 4.334 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000089552858 1044742153 /nfs/dbraw/zinc/74/21/53/1044742153.db2.gz NYZKCMXDYBMNNI-UONOGXRCSA-N 1 0 314.385 4.405 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C2CC(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000570241758 1044743083 /nfs/dbraw/zinc/74/30/83/1044743083.db2.gz WYIVORSHAWCIKV-UHFFFAOYSA-N 1 0 316.323 4.149 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000570507144 1044762397 /nfs/dbraw/zinc/76/23/97/1044762397.db2.gz ZDQRHDUFKNJWSZ-KBPBESRZSA-N 1 0 320.458 4.087 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000445878434 1044843283 /nfs/dbraw/zinc/84/32/83/1044843283.db2.gz SICAACHIDUCAQZ-NSHDSACASA-N 1 0 324.730 4.315 20 5 DIBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000525122113 1044988397 /nfs/dbraw/zinc/98/83/97/1044988397.db2.gz UEXNWLFDFYIHBA-KXBFYZLASA-N 1 0 310.397 4.220 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCc2occc2C1 ZINC000576216418 1045043008 /nfs/dbraw/zinc/04/30/08/1045043008.db2.gz IWFZBYUOAQBRJS-UVTDQMKNSA-N 1 0 312.369 4.040 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000447535770 1045141651 /nfs/dbraw/zinc/14/16/51/1045141651.db2.gz IHCOKJILVQTWPU-GOSISDBHSA-N 1 0 314.360 4.210 20 5 DIBDRO CCc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000447546482 1045144818 /nfs/dbraw/zinc/14/48/18/1045144818.db2.gz WJTZMFIAYHNLGV-KRWDZBQOSA-N 1 0 316.426 4.386 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447575068 1045156715 /nfs/dbraw/zinc/15/67/15/1045156715.db2.gz QBBKVZQXINHOIA-SMHULIPUSA-N 1 0 322.408 4.495 20 5 DIBDRO Cc1ccsc1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579686 1045159090 /nfs/dbraw/zinc/15/90/90/1045159090.db2.gz LKNPZAOUOUMHLX-INIZCTEOSA-N 1 0 316.426 4.174 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447609983 1045160875 /nfs/dbraw/zinc/16/08/75/1045160875.db2.gz ZVIRAIHMXPMEPC-SMDDNHRTSA-N 1 0 316.323 4.293 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(F)F)nc2)cc1[N+](=O)[O-] ZINC000601107814 1045188461 /nfs/dbraw/zinc/18/84/61/1045188461.db2.gz ABGPPSFWQJMXBG-LLVKDONJSA-N 1 0 321.327 4.087 20 5 DIBDRO CC(C)C(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000578090964 1045206034 /nfs/dbraw/zinc/20/60/34/1045206034.db2.gz KCFSJHVLQQCWGD-UHFFFAOYSA-N 1 0 302.374 4.379 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1cccs1 ZINC000527287176 1045213118 /nfs/dbraw/zinc/21/31/18/1045213118.db2.gz WYJLLPADTUYBGT-SDNWHVSQSA-N 1 0 316.426 4.282 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000925227624 1045238190 /nfs/dbraw/zinc/23/81/90/1045238190.db2.gz ACOIANQPDWZIFZ-GTNSWQLSSA-N 1 0 318.348 4.241 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001168096048 1045243315 /nfs/dbraw/zinc/24/33/15/1045243315.db2.gz HSLQSJOSNSXIQM-CABCVRRESA-N 1 0 308.397 4.428 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579376535 1045310029 /nfs/dbraw/zinc/31/00/29/1045310029.db2.gz VKDOWQCSGQHYSA-GWCFXTLKSA-N 1 0 316.323 4.293 20 5 DIBDRO CC[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000579376063 1045310257 /nfs/dbraw/zinc/31/02/57/1045310257.db2.gz FLOZCIXYHXQYPV-GWCFXTLKSA-N 1 0 316.323 4.150 20 5 DIBDRO O[C@H]1CC[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000188852405 1045340343 /nfs/dbraw/zinc/34/03/43/1045340343.db2.gz SGAPPPMVGBLBCL-QAPCUYQASA-N 1 0 305.421 4.244 20 5 DIBDRO O[C@@H]1CC[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000188852455 1045340684 /nfs/dbraw/zinc/34/06/84/1045340684.db2.gz SGAPPPMVGBLBCL-MAUKXSAKSA-N 1 0 305.421 4.244 20 5 DIBDRO Cc1n[nH]cc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000075783061 1045340875 /nfs/dbraw/zinc/34/08/75/1045340875.db2.gz FOBYRKRDGSKKJC-UHFFFAOYSA-N 1 0 301.393 4.314 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449284816 1045370644 /nfs/dbraw/zinc/37/06/44/1045370644.db2.gz OXAYWDDWQQFNDF-VXGBXAGGSA-N 1 0 318.339 4.237 20 5 DIBDRO O=[N+]([O-])c1cc(CNC2(c3ccccc3F)CC2)ccc1Cl ZINC000076766983 1045371597 /nfs/dbraw/zinc/37/15/97/1045371597.db2.gz OQPDALYXYQWOEA-UHFFFAOYSA-N 1 0 320.751 4.166 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449346654 1045378845 /nfs/dbraw/zinc/37/88/45/1045378845.db2.gz BUUCSJBOXUJPFB-RYUDHWBXSA-N 1 0 312.360 4.459 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000449347906 1045379974 /nfs/dbraw/zinc/37/99/74/1045379974.db2.gz JQQAZZRBCHNFRD-JTQLQIEISA-N 1 0 308.428 4.229 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350836 1045380073 /nfs/dbraw/zinc/38/00/73/1045380073.db2.gz WTIHMGQNZGQAOY-QWRGUYRKSA-N 1 0 304.312 4.367 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(C2CC2)c1 ZINC000449352582 1045380081 /nfs/dbraw/zinc/38/00/81/1045380081.db2.gz VOTMGVYZKHZRMB-LBPRGKRZSA-N 1 0 314.360 4.462 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449380540 1045387816 /nfs/dbraw/zinc/38/78/16/1045387816.db2.gz WIFRPGMNSULHLP-DYLGSBMWSA-N 1 0 310.344 4.023 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(CF)CC3)o2)c1 ZINC000449462149 1045400004 /nfs/dbraw/zinc/40/00/04/1045400004.db2.gz UOMIKJQHFMVFNF-UHFFFAOYSA-N 1 0 318.348 4.036 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000796620088 1045547619 /nfs/dbraw/zinc/54/76/19/1045547619.db2.gz OVSWPPPGVAUIMP-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000530359075 1045650346 /nfs/dbraw/zinc/65/03/46/1045650346.db2.gz AVSHQFXNWKMBDF-HOCLYGCPSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801515104 1045727545 /nfs/dbraw/zinc/72/75/45/1045727545.db2.gz WWAHRPVEYZGFND-OAHLLOKOSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801522049 1045730706 /nfs/dbraw/zinc/73/07/06/1045730706.db2.gz XZRDHSVIBFGBQR-CJNGLKHVSA-N 1 0 314.360 4.112 20 5 DIBDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000520173778 1045863073 /nfs/dbraw/zinc/86/30/73/1045863073.db2.gz BBAIPPMZZHFZIG-UHFFFAOYSA-N 1 0 302.349 4.146 20 5 DIBDRO CCNc1ccccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000902301925 1045969489 /nfs/dbraw/zinc/96/94/89/1045969489.db2.gz MUXUYUJWLQQZJJ-CQSZACIVSA-N 1 0 313.401 4.186 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453214538 1045985717 /nfs/dbraw/zinc/98/57/17/1045985717.db2.gz DMGKXGKTZRHJOY-GXTWGEPZSA-N 1 0 314.410 4.135 20 5 DIBDRO CCC[C@H]([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000453219944 1045990987 /nfs/dbraw/zinc/99/09/87/1045990987.db2.gz NJOGAZIPXIOCIS-SFHVURJKSA-N 1 0 320.433 4.232 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000453228749 1045994108 /nfs/dbraw/zinc/99/41/08/1045994108.db2.gz BZSQMFVLYHKDIM-UGSOOPFHSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453238494 1045999093 /nfs/dbraw/zinc/99/90/93/1045999093.db2.gz QJDUWLLKKQTOAC-KZULUSFZSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1ccc([N+](=O)[O-])cc1 ZINC000830167172 1046046557 /nfs/dbraw/zinc/04/65/57/1046046557.db2.gz IEHFPJFFADIIBK-DYZYQPBXSA-N 1 0 318.323 4.211 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000532236125 1046123678 /nfs/dbraw/zinc/12/36/78/1046123678.db2.gz YCYZYPMRRUUDEG-CHWSQXEVSA-N 1 0 304.415 4.186 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000756899888 1046149619 /nfs/dbraw/zinc/14/96/19/1046149619.db2.gz HCLSOKATOMNDQR-UHFFFAOYSA-N 1 0 315.760 4.019 20 5 DIBDRO Cc1cc(C[NH2+]Cc2c3ccccc3cc3ccccc32)ncn1 ZINC000756989839 1046158362 /nfs/dbraw/zinc/15/83/62/1046158362.db2.gz HSSKFVYUPXJKGR-UHFFFAOYSA-N 1 0 313.404 4.381 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000903246774 1046206345 /nfs/dbraw/zinc/20/63/45/1046206345.db2.gz WVWCAKPOFMTZTM-QWRGUYRKSA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000903246211 1046207506 /nfs/dbraw/zinc/20/75/06/1046207506.db2.gz SGNHPNMZQSJWAL-NEPJUHHUSA-N 1 0 319.792 4.098 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1cccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000903244845 1046207546 /nfs/dbraw/zinc/20/75/46/1046207546.db2.gz FJLTWJUVOTYQHZ-NWDGAFQWSA-N 1 0 319.792 4.098 20 5 DIBDRO CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245202 1046207989 /nfs/dbraw/zinc/20/79/89/1046207989.db2.gz JZQOPJTZSAYZBQ-UONOGXRCSA-N 1 0 313.401 4.007 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000903246213 1046208145 /nfs/dbraw/zinc/20/81/45/1046208145.db2.gz SGNHPNMZQSJWAL-RYUDHWBXSA-N 1 0 319.792 4.098 20 5 DIBDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903289886 1046224154 /nfs/dbraw/zinc/22/41/54/1046224154.db2.gz ZBPAWEUHZPOOQQ-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903289835 1046224521 /nfs/dbraw/zinc/22/45/21/1046224521.db2.gz YJQFHNCDLZBKGV-MNOVXSKESA-N 1 0 306.312 4.285 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000903286786 1046224785 /nfs/dbraw/zinc/22/47/85/1046224785.db2.gz GQXKWVKKYLLXNZ-PXAZEXFGSA-N 1 0 312.369 4.029 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000903311869 1046235825 /nfs/dbraw/zinc/23/58/25/1046235825.db2.gz RUNCZOAMEWWVMX-SMDDNHRTSA-N 1 0 305.403 4.243 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000321499544 1046301163 /nfs/dbraw/zinc/30/11/63/1046301163.db2.gz ZVHFKTOLNSBPSZ-BZNIZROVSA-N 1 0 317.389 4.392 20 5 DIBDRO Cc1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000237767237 1046320537 /nfs/dbraw/zinc/32/05/37/1046320537.db2.gz WFRBQJNYBHXSGL-UHFFFAOYSA-N 1 0 323.396 4.107 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782543732 1046536264 /nfs/dbraw/zinc/53/62/64/1046536264.db2.gz OHCSVFOBTCRNJF-LLVKDONJSA-N 1 0 324.730 4.315 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2coc3ccccc23)cc1Cl ZINC000783635398 1046615309 /nfs/dbraw/zinc/61/53/09/1046615309.db2.gz QSTFXUODZDZDMH-UHFFFAOYSA-N 1 0 316.744 4.284 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783653241 1046618442 /nfs/dbraw/zinc/61/84/42/1046618442.db2.gz XMGZMVNFITWKNY-LLVKDONJSA-N 1 0 319.792 4.056 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000093632838 1046634788 /nfs/dbraw/zinc/63/47/88/1046634788.db2.gz UUDVLJNSGKCJET-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CS[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000533103320 1046656116 /nfs/dbraw/zinc/65/61/16/1046656116.db2.gz VXCOHYAFWAZPGS-NSHDSACASA-N 1 0 322.455 4.164 20 5 DIBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000834813994 1046674580 /nfs/dbraw/zinc/67/45/80/1046674580.db2.gz BZPJSMVAEYTJSH-QWHCGFSZSA-N 1 0 302.349 4.454 20 5 DIBDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000834890480 1046702297 /nfs/dbraw/zinc/70/22/97/1046702297.db2.gz CGVGGSYGYSQRHF-GWCFXTLKSA-N 1 0 317.216 4.219 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1O ZINC000250051341 1046714730 /nfs/dbraw/zinc/71/47/30/1046714730.db2.gz LXWTYGKISRUVFG-QVKFZJNVSA-N 1 0 305.421 4.196 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)c1cccc([N+](=O)[O-])c1 ZINC000300411467 1046719935 /nfs/dbraw/zinc/71/99/35/1046719935.db2.gz NJVCAKAAJKPDRS-KBMXLJTQSA-N 1 0 308.447 4.310 20 5 DIBDRO CSC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237359787 1046862052 /nfs/dbraw/zinc/86/20/52/1046862052.db2.gz AQRHUVFBDIJIDN-LLVKDONJSA-N 1 0 322.455 4.164 20 5 DIBDRO CSC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237359956 1046862201 /nfs/dbraw/zinc/86/22/01/1046862201.db2.gz LUOCMONJHNVRRB-LLVKDONJSA-N 1 0 322.455 4.164 20 5 DIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000303908660 1047003159 /nfs/dbraw/zinc/00/31/59/1047003159.db2.gz UFZABVZYHUXGEF-CJNGLKHVSA-N 1 0 314.360 4.112 20 5 DIBDRO CCOCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000536848587 1047110072 /nfs/dbraw/zinc/11/00/72/1047110072.db2.gz YPXXAWDPCNYZEL-OAHLLOKOSA-N 1 0 320.433 4.151 20 5 DIBDRO C[C@@H]([NH2+]CCSc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000537076379 1047136805 /nfs/dbraw/zinc/13/68/05/1047136805.db2.gz BTCPUDQBLSNYTJ-GFCCVEGCSA-N 1 0 320.389 4.177 20 5 DIBDRO C[C@@]1(O)CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727681 1047277385 /nfs/dbraw/zinc/27/73/85/1047277385.db2.gz BTJSLQSBROSVAB-OAQYLSRUSA-N 1 0 305.421 4.340 20 5 DIBDRO CO[C@@H](C)C1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727939 1047280306 /nfs/dbraw/zinc/28/03/06/1047280306.db2.gz IQDVMKZCNMSJNN-HNNXBMFYSA-N 1 0 305.421 4.460 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@@]12CCOC2 ZINC001141728179 1047280704 /nfs/dbraw/zinc/28/07/04/1047280704.db2.gz OERAQYATTXJTKT-NRFANRHFSA-N 1 0 303.405 4.358 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCOCC12CC2 ZINC001141728562 1047281696 /nfs/dbraw/zinc/28/16/96/1047281696.db2.gz WZRWYNHJJAGCBI-UHFFFAOYSA-N 1 0 303.405 4.358 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000089513319 1047388655 /nfs/dbraw/zinc/38/86/55/1047388655.db2.gz NVHGFAHJVCNFPD-NSHDSACASA-N 1 0 320.389 4.307 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC001168316543 1047425684 /nfs/dbraw/zinc/42/56/84/1047425684.db2.gz CMHDDQGOHQMSAA-CQSZACIVSA-N 1 0 324.371 4.385 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(C2CC2)CCC1)C1CC1 ZINC000537952768 1047646852 /nfs/dbraw/zinc/64/68/52/1047646852.db2.gz SFUKLMOUBYLXSH-KRWDZBQOSA-N 1 0 314.429 4.086 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCCc2cccs2)cccc1[N+](=O)[O-] ZINC000537963345 1047647969 /nfs/dbraw/zinc/64/79/69/1047647969.db2.gz IKKQEWPUOPNSJI-CYBMUJFWSA-N 1 0 304.415 4.248 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000537983334 1047649989 /nfs/dbraw/zinc/64/99/89/1047649989.db2.gz HEMKVWLIDFHOIQ-YXJHDRRASA-N 1 0 310.397 4.185 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CSc2ccccc21 ZINC000538400310 1047672139 /nfs/dbraw/zinc/67/21/39/1047672139.db2.gz OINGZALERZKWRZ-ZKKXHLJNSA-N 1 0 312.394 4.045 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CSc2ccccc21 ZINC000538400309 1047672169 /nfs/dbraw/zinc/67/21/69/1047672169.db2.gz OINGZALERZKWRZ-PKYBCLHXSA-N 1 0 312.394 4.045 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000538581951 1047689550 /nfs/dbraw/zinc/68/95/50/1047689550.db2.gz WSFQRZYHMIRCFC-SZMVWBNQSA-N 1 0 320.433 4.229 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3C[C@@H]4CCC[C@H]4C3)o2)c1 ZINC000538726265 1047700946 /nfs/dbraw/zinc/70/09/46/1047700946.db2.gz HGOWXCQWZHEDFS-GJZGRUSLSA-N 1 0 312.369 4.087 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000539051928 1047727350 /nfs/dbraw/zinc/72/73/50/1047727350.db2.gz PULUJLDFHZVBDA-ACJLOTCBSA-N 1 0 311.385 4.100 20 5 DIBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000539064758 1047730303 /nfs/dbraw/zinc/73/03/03/1047730303.db2.gz DLVWRSSVUUYBCI-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000539048832 1047733008 /nfs/dbraw/zinc/73/30/08/1047733008.db2.gz FBYZYGYZZLAHDR-KRWDZBQOSA-N 1 0 316.788 4.068 20 5 DIBDRO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001174478586 1047850418 /nfs/dbraw/zinc/85/04/18/1047850418.db2.gz QGAYLODZHBWHOQ-UHFFFAOYSA-N 1 0 311.385 4.324 20 5 DIBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC001197759241 1047873678 /nfs/dbraw/zinc/87/36/78/1047873678.db2.gz PHRMFRQBEFQSCP-KRWDZBQOSA-N 1 0 316.376 4.091 20 5 DIBDRO Nc1c2ccccc2c2ccccc2c1NC1=CCC[NH2+]CC1 ZINC001159755848 1047914321 /nfs/dbraw/zinc/91/43/21/1047914321.db2.gz RZMKYIAUBYWJMB-UHFFFAOYSA-N 1 0 303.409 4.254 20 5 DIBDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001198300474 1047943657 /nfs/dbraw/zinc/94/36/57/1047943657.db2.gz NQDUKFSGJXRXNZ-QGZVFWFLSA-N 1 0 316.426 4.254 20 5 DIBDRO CCCCC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001174781605 1047972508 /nfs/dbraw/zinc/97/25/08/1047972508.db2.gz XCARQWSFYHASLM-INIZCTEOSA-N 1 0 320.433 4.408 20 5 DIBDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000479833783 1047980944 /nfs/dbraw/zinc/98/09/44/1047980944.db2.gz UKPMNBFITJNOSF-LBPRGKRZSA-N 1 0 304.777 4.441 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001184047066 1047995868 /nfs/dbraw/zinc/99/58/68/1047995868.db2.gz ZWPCZYPPMGOFKF-WBVHZDCISA-N 1 0 312.413 4.309 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[NH2+]CC2(C)C ZINC001160285692 1048022890 /nfs/dbraw/zinc/02/28/90/1048022890.db2.gz ZKGASBJVAVZBKU-UHFFFAOYSA-N 1 0 311.385 4.028 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)c(Cl)c1 ZINC001184386952 1048034426 /nfs/dbraw/zinc/03/44/26/1048034426.db2.gz FHAVJMWEWDYMFU-HIFRSBDPSA-N 1 0 308.809 4.164 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H]2C2CCCC2)c(Cl)c1 ZINC001184386953 1048034444 /nfs/dbraw/zinc/03/44/44/1048034444.db2.gz FHAVJMWEWDYMFU-UKRRQHHQSA-N 1 0 308.809 4.164 20 5 DIBDRO CCC[NH+](CCC)CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC001184491599 1048040696 /nfs/dbraw/zinc/04/06/96/1048040696.db2.gz PEIOIMKXKIKRRC-UHFFFAOYSA-N 1 0 313.829 4.172 20 5 DIBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001199188495 1048044103 /nfs/dbraw/zinc/04/41/03/1048044103.db2.gz DNBDFXUWTZQVGD-INIZCTEOSA-N 1 0 315.420 4.368 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)cc1 ZINC001199581545 1048076045 /nfs/dbraw/zinc/07/60/45/1048076045.db2.gz GSWNYNHSUTYXGE-UHFFFAOYSA-N 1 0 324.352 4.199 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCCOC2CCCCC2)cccc1[N+](=O)[O-] ZINC000480173032 1048078601 /nfs/dbraw/zinc/07/86/01/1048078601.db2.gz XRBIJDGGAPAPQG-OAHLLOKOSA-N 1 0 320.433 4.293 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480211738 1048092929 /nfs/dbraw/zinc/09/29/29/1048092929.db2.gz YSTYVYXIDSARFT-HNNXBMFYSA-N 1 0 310.397 4.286 20 5 DIBDRO Cc1cc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001184865712 1048100313 /nfs/dbraw/zinc/10/03/13/1048100313.db2.gz SWVUSDMEMXSTCH-HUUCEWRRSA-N 1 0 319.449 4.073 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000776025123 1048101240 /nfs/dbraw/zinc/10/12/40/1048101240.db2.gz VSSFSKUKXHOXMM-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC001175052528 1048111762 /nfs/dbraw/zinc/11/17/62/1048111762.db2.gz GXNFIRMPJFWMIV-SJDLMVEWSA-N 1 0 318.417 4.172 20 5 DIBDRO C/C=C/C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001175055250 1048114672 /nfs/dbraw/zinc/11/46/72/1048114672.db2.gz WAHPGZXJJWONPE-YWVDXFKGSA-N 1 0 308.809 4.426 20 5 DIBDRO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC001175238676 1048214133 /nfs/dbraw/zinc/21/41/33/1048214133.db2.gz NDNYQFIHFZWYTK-ZDUSSCGKSA-N 1 0 308.397 4.382 20 5 DIBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001162141396 1048230030 /nfs/dbraw/zinc/23/00/30/1048230030.db2.gz VQZCMBWCNNJXMQ-SFHVURJKSA-N 1 0 319.449 4.072 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC001162140624 1048231075 /nfs/dbraw/zinc/23/10/75/1048231075.db2.gz PAHZKGWIMDIALE-SFHVURJKSA-N 1 0 319.449 4.072 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nc2ccccc2c2ccccc21 ZINC001162470785 1048285485 /nfs/dbraw/zinc/28/54/85/1048285485.db2.gz MIMSORSZGPRUTB-HOTGVXAUSA-N 1 0 319.452 4.436 20 5 DIBDRO CC[C@@H]([NH2+]C/C=C\c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001201493224 1048285560 /nfs/dbraw/zinc/28/55/60/1048285560.db2.gz YUGYTKISSIEDHY-LZCIBIBXSA-N 1 0 314.360 4.488 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc2ccccc2c2ccccc21 ZINC001162470784 1048286840 /nfs/dbraw/zinc/28/68/40/1048286840.db2.gz MIMSORSZGPRUTB-CVEARBPZSA-N 1 0 319.452 4.436 20 5 DIBDRO C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555301379 1048312742 /nfs/dbraw/zinc/31/27/42/1048312742.db2.gz AYOHACGKKPCYDR-UHFFFAOYSA-N 1 0 324.302 4.246 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000192834613 1048319569 /nfs/dbraw/zinc/31/95/69/1048319569.db2.gz QTJLAXOFAASFTA-BLLLJJGKSA-N 1 0 314.410 4.483 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000192834653 1048319732 /nfs/dbraw/zinc/31/97/32/1048319732.db2.gz QTJLAXOFAASFTA-WBMJQRKESA-N 1 0 314.410 4.483 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000600112172 1048365116 /nfs/dbraw/zinc/36/51/16/1048365116.db2.gz PKPNOKDQWPWWAX-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCc2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000481319227 1048365875 /nfs/dbraw/zinc/36/58/75/1048365875.db2.gz XFJRALNOQKYADD-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001187062517 1048368852 /nfs/dbraw/zinc/36/88/52/1048368852.db2.gz CVEWFGSGUFERDK-AWEZNQCLSA-N 1 0 323.824 4.067 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC(F)(F)CC1 ZINC000600187102 1048384663 /nfs/dbraw/zinc/38/46/63/1048384663.db2.gz DJFQKJMIBMDITL-RAXLEYEMSA-N 1 0 310.344 4.119 20 5 DIBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)c([N+](=O)[O-])s1 ZINC001187361283 1048391714 /nfs/dbraw/zinc/39/17/14/1048391714.db2.gz IAWFKBJRQOCHNU-CQSZACIVSA-N 1 0 323.462 4.174 20 5 DIBDRO O=[N+]([O-])/C=C/c1ccc(Nc2c[nH+]ccc2N2CCCCC2)cc1 ZINC001175902262 1048495999 /nfs/dbraw/zinc/49/59/99/1048495999.db2.gz KDDSHVVLUXVAPC-UKTHLTGXSA-N 1 0 324.384 4.063 20 5 DIBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001175902942 1048496024 /nfs/dbraw/zinc/49/60/24/1048496024.db2.gz XWBJGXKACRWGIB-JLHYYAGUSA-N 1 0 323.396 4.273 20 5 DIBDRO Cc1ccc2ncc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC001176035800 1048539151 /nfs/dbraw/zinc/53/91/51/1048539151.db2.gz DAVBMYUGYGZXAX-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000482134700 1048561403 /nfs/dbraw/zinc/56/14/03/1048561403.db2.gz LWJRLXCHHQMHPH-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO CC(C)C[N@H+](Cc1ccccn1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001176345153 1048636574 /nfs/dbraw/zinc/63/65/74/1048636574.db2.gz LCMVEJZSGHNTPN-HNNXBMFYSA-N 1 0 313.401 4.209 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000850427124 1048653840 /nfs/dbraw/zinc/65/38/40/1048653840.db2.gz NERHQCIKDHLHMH-NWDGAFQWSA-N 1 0 320.414 4.385 20 5 DIBDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482889793 1048698371 /nfs/dbraw/zinc/69/83/71/1048698371.db2.gz PUEXORCFTPFFMA-ZDUSSCGKSA-N 1 0 302.349 4.017 20 5 DIBDRO C[C@H](C1CC1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001190340460 1048720621 /nfs/dbraw/zinc/72/06/21/1048720621.db2.gz RNAYIQDRSICVRB-MRXNPFEDSA-N 1 0 324.424 4.438 20 5 DIBDRO C[C@@H](C1CC1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001190340458 1048721242 /nfs/dbraw/zinc/72/12/42/1048721242.db2.gz RNAYIQDRSICVRB-INIZCTEOSA-N 1 0 324.424 4.438 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483122899 1048740896 /nfs/dbraw/zinc/74/08/96/1048740896.db2.gz OLSHNZXQCQKKFL-HIFRSBDPSA-N 1 0 314.360 4.284 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC12CCCCC2 ZINC001176760878 1048789095 /nfs/dbraw/zinc/78/90/95/1048789095.db2.gz JEVTYKVQOGIPRP-PBHICJAKSA-N 1 0 318.417 4.046 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000483416955 1048790452 /nfs/dbraw/zinc/79/04/52/1048790452.db2.gz HGJUCGFRLUXVOD-ZDUSSCGKSA-N 1 0 308.447 4.046 20 5 DIBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000483430787 1048797922 /nfs/dbraw/zinc/79/79/22/1048797922.db2.gz XULCEDMQIZXRIK-CYBMUJFWSA-N 1 0 316.323 4.005 20 5 DIBDRO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000483442745 1048801009 /nfs/dbraw/zinc/80/10/09/1048801009.db2.gz RYVXSTHBMVUKFW-CYBMUJFWSA-N 1 0 316.323 4.005 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000483611775 1048823662 /nfs/dbraw/zinc/82/36/62/1048823662.db2.gz FGQVIONHBZCGDP-JSGCOSHPSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483660624 1048833762 /nfs/dbraw/zinc/83/37/62/1048833762.db2.gz MOMLUUZURAMZHK-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000483841662 1048870327 /nfs/dbraw/zinc/87/03/27/1048870327.db2.gz XBOLCPZNDOVWBU-RYUDHWBXSA-N 1 0 320.339 4.327 20 5 DIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000484313977 1048925200 /nfs/dbraw/zinc/92/52/00/1048925200.db2.gz VKHGRKCGDCXPFB-DAXOMENPSA-N 1 0 308.447 4.310 20 5 DIBDRO Cc1ccccc1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001177980831 1048975454 /nfs/dbraw/zinc/97/54/54/1048975454.db2.gz AZTRLHKBKMCKHL-UHFFFAOYSA-N 1 0 312.413 4.359 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC001178272052 1049008904 /nfs/dbraw/zinc/00/89/04/1049008904.db2.gz ASFXUSAVCGDVDG-UHFFFAOYSA-N 1 0 302.418 4.388 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC001178295448 1049013400 /nfs/dbraw/zinc/01/34/00/1049013400.db2.gz QGSKAEIIELTJBH-AWEZNQCLSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@H](C[NH2+]Cc1nccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001203863926 1049019731 /nfs/dbraw/zinc/01/97/31/1049019731.db2.gz IRDZBLBEZNAXFT-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO COc1ccc(C[NH2+]CC[C@@H](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC001178497094 1049039248 /nfs/dbraw/zinc/03/92/48/1049039248.db2.gz XKKKJYXOKUGFJE-CYBMUJFWSA-N 1 0 308.422 4.155 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000036994274 1049045121 /nfs/dbraw/zinc/04/51/21/1049045121.db2.gz PUQZSFLLZBKCFX-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO CC(C)([NH3+])c1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000904470750 1049074123 /nfs/dbraw/zinc/07/41/23/1049074123.db2.gz PHOUYUMVAQHHLM-UHFFFAOYSA-N 1 0 319.792 4.054 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC001178783538 1049087735 /nfs/dbraw/zinc/08/77/35/1049087735.db2.gz SMJCXWVYBOWUMD-PGEKIEPBSA-N 1 0 302.418 4.387 20 5 DIBDRO C[C@@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC=CCC1 ZINC001178931178 1049105934 /nfs/dbraw/zinc/10/59/34/1049105934.db2.gz LLXGBUVXKNXPMK-GOSISDBHSA-N 1 0 312.369 4.443 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775528503 1049107913 /nfs/dbraw/zinc/10/79/13/1049107913.db2.gz YYXDXXYPMVTBAB-SECBINFHSA-N 1 0 324.730 4.459 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC001192605053 1049121251 /nfs/dbraw/zinc/12/12/51/1049121251.db2.gz QSAFXFLVGMJKLU-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO CC[C@H]([NH2+]CCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001192803166 1049139515 /nfs/dbraw/zinc/13/95/15/1049139515.db2.gz PGOGMLNJXMXJEB-SFHVURJKSA-N 1 0 316.376 4.407 20 5 DIBDRO CSC(C)(C)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001204322019 1049140637 /nfs/dbraw/zinc/14/06/37/1049140637.db2.gz DFQLPWATDIKSDM-UHFFFAOYSA-N 1 0 316.854 4.212 20 5 DIBDRO CCc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001192928568 1049155148 /nfs/dbraw/zinc/15/51/48/1049155148.db2.gz LIYDSTGKDNAIEQ-UHFFFAOYSA-N 1 0 310.397 4.322 20 5 DIBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1C ZINC001193413030 1049208807 /nfs/dbraw/zinc/20/88/07/1049208807.db2.gz JWFZXHAJKWOWPB-YJBOKZPZSA-N 1 0 320.433 4.264 20 5 DIBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1C ZINC001193413026 1049209056 /nfs/dbraw/zinc/20/90/56/1049209056.db2.gz JWFZXHAJKWOWPB-MAUKXSAKSA-N 1 0 320.433 4.264 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC3(C2)CCCC3)o1 ZINC000485302853 1049219650 /nfs/dbraw/zinc/21/96/50/1049219650.db2.gz MKQVAZPMQALPSD-UHFFFAOYSA-N 1 0 312.369 4.231 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CCCS1 ZINC001204743605 1049248049 /nfs/dbraw/zinc/24/80/49/1049248049.db2.gz JERDZDGKGKOONJ-MRXNPFEDSA-N 1 0 308.447 4.091 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1Cl ZINC001193742388 1049250200 /nfs/dbraw/zinc/25/02/00/1049250200.db2.gz BGVGUQSGYQOLBS-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001180091679 1049263060 /nfs/dbraw/zinc/26/30/60/1049263060.db2.gz DCPQTMSZBCFUNT-IZNAZMGOSA-N 1 0 322.408 4.445 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC001180091678 1049263832 /nfs/dbraw/zinc/26/38/32/1049263832.db2.gz DCPQTMSZBCFUNT-DDITZMBXSA-N 1 0 322.408 4.445 20 5 DIBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001180202901 1049307309 /nfs/dbraw/zinc/30/73/09/1049307309.db2.gz DZRVYKHTVYJFEW-GWCFXTLKSA-N 1 0 316.323 4.234 20 5 DIBDRO COc1cccc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000485714249 1049324177 /nfs/dbraw/zinc/32/41/77/1049324177.db2.gz DZEMVXAYTKBRFG-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001194152904 1049328420 /nfs/dbraw/zinc/32/84/20/1049328420.db2.gz JMNNKDYBAVOUFQ-CXAGYDPISA-N 1 0 314.360 4.317 20 5 DIBDRO COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173402101 1049330278 /nfs/dbraw/zinc/33/02/78/1049330278.db2.gz KPGRWPWICJCTPL-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO COc1ccccc1C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485737731 1049330415 /nfs/dbraw/zinc/33/04/15/1049330415.db2.gz LPBRQONERXINDI-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000485736736 1049331107 /nfs/dbraw/zinc/33/11/07/1049331107.db2.gz IVIHAWHHBDDIPD-CYBMUJFWSA-N 1 0 302.349 4.235 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173402791 1049332779 /nfs/dbraw/zinc/33/27/79/1049332779.db2.gz BYGQMKQZPZLOHI-UWVGGRQHSA-N 1 0 324.302 4.424 20 5 DIBDRO CCC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC001205007828 1049340504 /nfs/dbraw/zinc/34/05/04/1049340504.db2.gz MXMOYOHYEOPTMC-HNNXBMFYSA-N 1 0 310.825 4.349 20 5 DIBDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC001180348959 1049342890 /nfs/dbraw/zinc/34/28/90/1049342890.db2.gz HCLAZERVGHXAHD-TYNCELHUSA-N 1 0 310.825 4.205 20 5 DIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCCCCCC1 ZINC001205107918 1049380750 /nfs/dbraw/zinc/38/07/50/1049380750.db2.gz LJNZEMNFWDFLOG-UHFFFAOYSA-N 1 0 316.323 4.380 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC001194478864 1049381428 /nfs/dbraw/zinc/38/14/28/1049381428.db2.gz ZQKUOPQFBVIMHE-SFHVURJKSA-N 1 0 310.397 4.017 20 5 DIBDRO CC(C)([NH2+]CCSC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001194683193 1049410278 /nfs/dbraw/zinc/41/02/78/1049410278.db2.gz LWADSBAMZKLHIF-UHFFFAOYSA-N 1 0 322.474 4.485 20 5 DIBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001205292225 1049431503 /nfs/dbraw/zinc/43/15/03/1049431503.db2.gz YGJRAPGEANMFGV-KRWDZBQOSA-N 1 0 320.433 4.015 20 5 DIBDRO CCCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001194873999 1049440656 /nfs/dbraw/zinc/44/06/56/1049440656.db2.gz NLQUJVOMAMSJGV-CQSZACIVSA-N 1 0 308.422 4.393 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCC2(CC2)CC1 ZINC000486715848 1049459903 /nfs/dbraw/zinc/45/99/03/1049459903.db2.gz XTZNDHJUQXKXDB-UHFFFAOYSA-N 1 0 308.809 4.103 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001195028154 1049463096 /nfs/dbraw/zinc/46/30/96/1049463096.db2.gz DPPUQQXZKBGHFR-YDEJPDAXSA-N 1 0 315.200 4.180 20 5 DIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[C@@H](C)C1 ZINC001195179674 1049484080 /nfs/dbraw/zinc/48/40/80/1049484080.db2.gz OHCPSMLATJZGAX-FRRDWIJNSA-N 1 0 317.389 4.040 20 5 DIBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001205642867 1049519861 /nfs/dbraw/zinc/51/98/61/1049519861.db2.gz PIELQWXNMIYANM-IINYFYTJSA-N 1 0 316.323 4.282 20 5 DIBDRO Cc1cscc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000487192913 1049529197 /nfs/dbraw/zinc/52/91/97/1049529197.db2.gz YJLSFYZNLAKHST-UHFFFAOYSA-N 1 0 304.415 4.378 20 5 DIBDRO Cc1ccc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1C ZINC001182053149 1049565838 /nfs/dbraw/zinc/56/58/38/1049565838.db2.gz MKLCQLFWNXMVBE-UHFFFAOYSA-N 1 0 312.413 4.279 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c(F)c1 ZINC001195894705 1049578267 /nfs/dbraw/zinc/57/82/67/1049578267.db2.gz XOKIUNYMUMLIPI-CYBMUJFWSA-N 1 0 324.371 4.275 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C1CC1)C1CCC1 ZINC001182203809 1049586347 /nfs/dbraw/zinc/58/63/47/1049586347.db2.gz MNHITEJLDOPUFM-UGSOOPFHSA-N 1 0 302.418 4.084 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(C3CCC3)CC2)c1 ZINC001195946680 1049599510 /nfs/dbraw/zinc/59/95/10/1049599510.db2.gz MCCGJLFBJGJIHG-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c(Cl)c1 ZINC001182356887 1049635008 /nfs/dbraw/zinc/63/50/08/1049635008.db2.gz QDVICCZTAAITRX-SWLSCSKDSA-N 1 0 308.809 4.164 20 5 DIBDRO CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001206055736 1049642489 /nfs/dbraw/zinc/64/24/89/1049642489.db2.gz MBSRRLLURPRULW-QWHCGFSZSA-N 1 0 317.389 4.042 20 5 DIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)cc1[N+](=O)[O-] ZINC000488403111 1049648139 /nfs/dbraw/zinc/64/81/39/1049648139.db2.gz LNVOXQMDJKLMJI-AWEZNQCLSA-N 1 0 306.406 4.004 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000175057249 1049648287 /nfs/dbraw/zinc/64/82/87/1049648287.db2.gz WSRNMOUEOQAKDB-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO C[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488412906 1049651263 /nfs/dbraw/zinc/65/12/63/1049651263.db2.gz DTFNIVRCWZTPIL-NJZAAPMLSA-N 1 0 308.447 4.166 20 5 DIBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC001182451995 1049656693 /nfs/dbraw/zinc/65/66/93/1049656693.db2.gz IXJHVGSROYNQNS-MXWKQRLJSA-N 1 0 316.323 4.090 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC001182451997 1049658482 /nfs/dbraw/zinc/65/84/82/1049658482.db2.gz IXJHVGSROYNQNS-VWYCJHECSA-N 1 0 316.323 4.090 20 5 DIBDRO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000488572492 1049676808 /nfs/dbraw/zinc/67/68/08/1049676808.db2.gz WYQRZNBCAKAZEU-ZDUSSCGKSA-N 1 0 302.349 4.317 20 5 DIBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001206215051 1049682233 /nfs/dbraw/zinc/68/22/33/1049682233.db2.gz KBVZUVNGWKDDTB-UHFFFAOYSA-N 1 0 316.323 4.234 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4ccccc4O)cc3[nH+]c2c1 ZINC001206227094 1049685517 /nfs/dbraw/zinc/68/55/17/1049685517.db2.gz XOHVCKQMGCCVFQ-UHFFFAOYSA-N 1 0 301.349 4.419 20 5 DIBDRO CC(C)[C@@H]1[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12CC=CC2 ZINC001182693006 1049700113 /nfs/dbraw/zinc/70/01/13/1049700113.db2.gz DOGCOMOTANPLLT-INIZCTEOSA-N 1 0 320.820 4.425 20 5 DIBDRO C[NH+](C)CCn1cc(-c2c3ccccc3cc3ccccc32)cn1 ZINC001206340738 1049716461 /nfs/dbraw/zinc/71/64/61/1049716461.db2.gz VDKLLZPGZGPSPF-UHFFFAOYSA-N 1 0 315.420 4.418 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1Cl ZINC001206438540 1049733791 /nfs/dbraw/zinc/73/37/91/1049733791.db2.gz BNHVDZYEXVSXFJ-HUUCEWRRSA-N 1 0 316.788 4.142 20 5 DIBDRO CCCCOC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000490085714 1049801957 /nfs/dbraw/zinc/80/19/57/1049801957.db2.gz KJUKXXXNNWAGQK-HNNXBMFYSA-N 1 0 320.433 4.245 20 5 DIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCC12CC2 ZINC001207067775 1049829258 /nfs/dbraw/zinc/82/92/58/1049829258.db2.gz YELPCSRPROPDDL-CYBMUJFWSA-N 1 0 314.307 4.036 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000760651299 1049906145 /nfs/dbraw/zinc/90/61/45/1049906145.db2.gz LYQDMUGCDOMBPM-VIFPVBQESA-N 1 0 310.703 4.069 20 5 DIBDRO C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001207536449 1049908031 /nfs/dbraw/zinc/90/80/31/1049908031.db2.gz TVXPRLQMPBHFHE-MAZHCROVSA-N 1 0 320.433 4.228 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000588231383 1049976928 /nfs/dbraw/zinc/97/69/28/1049976928.db2.gz VZLPXFSOXXMVCC-GOEBONIOSA-N 1 0 320.408 4.178 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000588232545 1049976932 /nfs/dbraw/zinc/97/69/32/1049976932.db2.gz MQKOYLYTOZJZKC-BJJXKVORSA-N 1 0 324.371 4.083 20 5 DIBDRO COCOCCC[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001209027747 1050031064 /nfs/dbraw/zinc/03/10/64/1050031064.db2.gz GOHXJFMRBMEVOV-UHFFFAOYSA-N 1 0 323.436 4.435 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2cnccc2c1)c1ccccc1[N+](=O)[O-] ZINC000589939750 1050068617 /nfs/dbraw/zinc/06/86/17/1050068617.db2.gz PBCKXCPIVMVSMN-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO Cc1cc2cc3cc(C)c(Nc4ccnnc4)cc3[nH+]c2cc1N ZINC001209963196 1050112376 /nfs/dbraw/zinc/11/23/76/1050112376.db2.gz MYWHEMSULVNVRN-UHFFFAOYSA-N 1 0 315.380 4.121 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCc1cccs1)CCC2 ZINC000573082203 1050133694 /nfs/dbraw/zinc/13/36/94/1050133694.db2.gz VJYBEKMHIMRVFW-QGZVFWFLSA-N 1 0 316.426 4.256 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC(F)(F)C1)CCCC2 ZINC000591348299 1050141940 /nfs/dbraw/zinc/14/19/40/1050141940.db2.gz OLJPRNKPQVFKHW-IUODEOHRSA-N 1 0 310.344 4.140 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000734508577 1050279900 /nfs/dbraw/zinc/27/99/00/1050279900.db2.gz AYWWCQVCYUFNOZ-CQSZACIVSA-N 1 0 316.376 4.153 20 5 DIBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000592392495 1050291456 /nfs/dbraw/zinc/29/14/56/1050291456.db2.gz XZLPLVFZTGQSNZ-QMTHXVAHSA-N 1 0 312.360 4.198 20 5 DIBDRO C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000592392386 1050292268 /nfs/dbraw/zinc/29/22/68/1050292268.db2.gz PQERVXDXNLNBKR-XHDPSFHLSA-N 1 0 312.360 4.243 20 5 DIBDRO C[N@H+](CCCc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734835437 1050325667 /nfs/dbraw/zinc/32/56/67/1050325667.db2.gz VTHZZLZABUZJMI-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO Cc1ccccc1C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000593040766 1050363171 /nfs/dbraw/zinc/36/31/71/1050363171.db2.gz UIIKRIQTOIWDPK-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C/C=C(C)/[NH+]=c1\ccc2nc3c(cc(N)c4ccccc43)oc-2c1 ZINC001210798057 1050369831 /nfs/dbraw/zinc/36/98/31/1050369831.db2.gz QHRPMYOMZIDHFY-ALWYPGOXSA-N 1 0 315.376 4.492 20 5 DIBDRO Cc1ccccc1C1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000844351809 1050404206 /nfs/dbraw/zinc/40/42/06/1050404206.db2.gz QVJIYWYJJXLOLS-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000058773421 1050417086 /nfs/dbraw/zinc/41/70/86/1050417086.db2.gz FDAGUSMELLKXTG-UHFFFAOYSA-N 1 0 304.777 4.270 20 5 DIBDRO Cc1ccccc1C1([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594506868 1050521581 /nfs/dbraw/zinc/52/15/81/1050521581.db2.gz GAIRLPVCCMPVNU-KRWDZBQOSA-N 1 0 308.381 4.169 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594519336 1050530505 /nfs/dbraw/zinc/53/05/05/1050530505.db2.gz JSKQLANFEHCJCO-GDBMZVCRSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001211289609 1050539144 /nfs/dbraw/zinc/53/91/44/1050539144.db2.gz UDCCKCHCKWAHAM-UHFFFAOYSA-N 1 0 311.385 4.243 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000594977343 1050574233 /nfs/dbraw/zinc/57/42/33/1050574233.db2.gz KNVZUUWIZONRIJ-INDWDQIESA-N 1 0 310.344 4.023 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000594969940 1050574265 /nfs/dbraw/zinc/57/42/65/1050574265.db2.gz UOZPRTMXDKCKGF-QGZVFWFLSA-N 1 0 302.349 4.221 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000595016256 1050585326 /nfs/dbraw/zinc/58/53/26/1050585326.db2.gz JGZGRPDHKSVXHU-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO CSCC1(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000595065909 1050596217 /nfs/dbraw/zinc/59/62/17/1050596217.db2.gz GIKBOULUTOINHQ-ZDUSSCGKSA-N 1 0 308.447 4.087 20 5 DIBDRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595101645 1050607351 /nfs/dbraw/zinc/60/73/51/1050607351.db2.gz YOGSJBQQGRROMK-ZOODHJKOSA-N 1 0 310.344 4.213 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000595354290 1050628017 /nfs/dbraw/zinc/62/80/17/1050628017.db2.gz RSPQAJAHHPKEQR-QGZVFWFLSA-N 1 0 320.339 4.360 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c(C)s1 ZINC000595414913 1050631142 /nfs/dbraw/zinc/63/11/42/1050631142.db2.gz HWWOTPPNGHRMRR-JTQLQIEISA-N 1 0 308.378 4.263 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595470892 1050634782 /nfs/dbraw/zinc/63/47/82/1050634782.db2.gz VCTCATNVOVEWIC-LLVKDONJSA-N 1 0 320.389 4.307 20 5 DIBDRO CC[C@H](CC(F)F)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595405604 1050635795 /nfs/dbraw/zinc/63/57/95/1050635795.db2.gz YSSGDULPFACIBB-GFCCVEGCSA-N 1 0 312.360 4.241 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)c1ccccc1 ZINC000788024136 1050639160 /nfs/dbraw/zinc/63/91/60/1050639160.db2.gz PJOKKUALWXIQJJ-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846105055 1050669850 /nfs/dbraw/zinc/66/98/50/1050669850.db2.gz POBGKBOUKSNSOA-LPDYGMJQSA-N 1 0 322.355 4.119 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC000788495134 1050690386 /nfs/dbraw/zinc/69/03/86/1050690386.db2.gz ZVQXGZFZZAUKMY-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO CSCC[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788582112 1050709231 /nfs/dbraw/zinc/70/92/31/1050709231.db2.gz HZBPPFNNWLBVFI-IAQYHMDHSA-N 1 0 308.447 4.048 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000741800447 1050745538 /nfs/dbraw/zinc/74/55/38/1050745538.db2.gz LMNLDUCAJGPQHZ-KRWDZBQOSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788814322 1050760407 /nfs/dbraw/zinc/76/04/07/1050760407.db2.gz KZPWDDHCAULJCX-KGLIPLIRSA-N 1 0 313.401 4.021 20 5 DIBDRO Cc1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC001214172031 1050835828 /nfs/dbraw/zinc/83/58/28/1050835828.db2.gz PLRORPJAVFQNRY-UHFFFAOYSA-N 1 0 311.385 4.243 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000742379500 1050839808 /nfs/dbraw/zinc/83/98/08/1050839808.db2.gz CWLNYIGFZVJJCI-LLVKDONJSA-N 1 0 322.792 4.261 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001171299009 1050865313 /nfs/dbraw/zinc/86/53/13/1050865313.db2.gz WFRGDMOOXIISQF-IAGOWNOFSA-N 1 0 304.434 4.284 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001171299012 1050865598 /nfs/dbraw/zinc/86/55/98/1050865598.db2.gz WFRGDMOOXIISQF-IRXDYDNUSA-N 1 0 304.434 4.284 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000036921215 1051101924 /nfs/dbraw/zinc/10/19/24/1051101924.db2.gz HFVHKAUNJGNXLH-MRXNPFEDSA-N 1 0 304.777 4.489 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000037010567 1051105723 /nfs/dbraw/zinc/10/57/23/1051105723.db2.gz JNVXXHQPLIJZAX-MRXNPFEDSA-N 1 0 304.777 4.489 20 5 DIBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001171457336 1051139830 /nfs/dbraw/zinc/13/98/30/1051139830.db2.gz KIXWKYOBCVTFKR-GJZGRUSLSA-N 1 0 320.408 4.382 20 5 DIBDRO C[N@H+](CC/C=C/c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC001170193472 1051148634 /nfs/dbraw/zinc/14/86/34/1051148634.db2.gz GQCNBUNCGBAVSE-YRNVUSSQSA-N 1 0 310.397 4.173 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCCOC1CCCCC1 ZINC001171477742 1051149447 /nfs/dbraw/zinc/14/94/47/1051149447.db2.gz URWYEIDVOMASAC-UHFFFAOYSA-N 1 0 305.486 4.044 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1F ZINC001170196367 1051154299 /nfs/dbraw/zinc/15/42/99/1051154299.db2.gz ZVZPYJGFUVTNJD-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CC2CCCC2)c(F)c1 ZINC001171632354 1051174348 /nfs/dbraw/zinc/17/43/48/1051174348.db2.gz YRVOAVNNZRXJDZ-HNNXBMFYSA-N 1 0 306.381 4.279 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170324675 1051185577 /nfs/dbraw/zinc/18/55/77/1051185577.db2.gz SANKHCSSIOOGSW-GUYCJALGSA-N 1 0 320.433 4.093 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000793258149 1051273818 /nfs/dbraw/zinc/27/38/18/1051273818.db2.gz HMCOFIGSPUREOG-GOSISDBHSA-N 1 0 317.432 4.461 20 5 DIBDRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001168925525 1051463294 /nfs/dbraw/zinc/46/32/94/1051463294.db2.gz QKBZHKYOWFLBBC-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC001168977491 1051476141 /nfs/dbraw/zinc/47/61/41/1051476141.db2.gz KGYSIXIXNXLHMN-IMSIIYSGSA-N 1 0 317.216 4.089 20 5 DIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001168980091 1051477012 /nfs/dbraw/zinc/47/70/12/1051477012.db2.gz IDRKYFFLSBCZPY-MEDUHNTESA-N 1 0 312.360 4.322 20 5 DIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001168979152 1051477712 /nfs/dbraw/zinc/47/77/12/1051477712.db2.gz CNBPJEKYQMVXKE-JKSUJKDBSA-N 1 0 320.433 4.442 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCCCCC2)C1 ZINC001168967569 1051481270 /nfs/dbraw/zinc/48/12/70/1051481270.db2.gz QXDLVQGWTHUEBS-AEFFLSMTSA-N 1 0 316.445 4.271 20 5 DIBDRO CCCCC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169004128 1051484855 /nfs/dbraw/zinc/48/48/55/1051484855.db2.gz PZMMLKQEXUGJKS-KBAYOESNSA-N 1 0 304.434 4.343 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CC2CCC2)c2cccc(F)c2)C1 ZINC001168998427 1051485565 /nfs/dbraw/zinc/48/55/65/1051485565.db2.gz MZODKEGVOHOVBB-FHLIZLRMSA-N 1 0 320.408 4.092 20 5 DIBDRO C[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006873 1051487622 /nfs/dbraw/zinc/48/76/22/1051487622.db2.gz JXVULWMVWKDHPI-VQIMIIECSA-N 1 0 324.424 4.153 20 5 DIBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897957 1051550139 /nfs/dbraw/zinc/55/01/39/1051550139.db2.gz GIQQVHVKWZCQGA-MZMPZRCHSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901108 1051551797 /nfs/dbraw/zinc/55/17/97/1051551797.db2.gz GIQQVHVKWZCQGA-QANKJYHBSA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C/C=C/c1ccccc1)CC2 ZINC001172900534 1051551908 /nfs/dbraw/zinc/55/19/08/1051551908.db2.gz VDTRGHFOVPETAK-ZLHKHBAESA-N 1 0 322.408 4.145 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(F)CCCCC1)CC2 ZINC001172895465 1051568273 /nfs/dbraw/zinc/56/82/73/1051568273.db2.gz DVJHGTMMIRDJOL-MRXNPFEDSA-N 1 0 320.408 4.104 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C1CCC1)C(F)(F)F ZINC001169285301 1051569742 /nfs/dbraw/zinc/56/97/42/1051569742.db2.gz OCMAFAZZGQSEMV-MRXNPFEDSA-N 1 0 315.403 4.426 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]3CCC[C@@H]31)CC2 ZINC001172916066 1051570238 /nfs/dbraw/zinc/57/02/38/1051570238.db2.gz QJIGORVIXBLBOA-WDYCEAGBSA-N 1 0 314.429 4.107 20 5 DIBDRO C[C@H]1CCCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910699 1051581269 /nfs/dbraw/zinc/58/12/69/1051581269.db2.gz OADHMFIUHDTRNR-WMLDXEAASA-N 1 0 302.418 4.107 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccs1 ZINC000761525475 1051589142 /nfs/dbraw/zinc/58/91/42/1051589142.db2.gz KJUIORZKPYFVLK-UHFFFAOYSA-N 1 0 324.833 4.377 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)ccc1Cl ZINC001173215691 1051633114 /nfs/dbraw/zinc/63/31/14/1051633114.db2.gz YQAHVNOIDSKZKY-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215600 1051633406 /nfs/dbraw/zinc/63/34/06/1051633406.db2.gz XGXLSHKZMCKTKZ-CYBMUJFWSA-N 1 0 316.426 4.038 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001173223942 1051636366 /nfs/dbraw/zinc/63/63/66/1051636366.db2.gz BXDVNRITODJNJD-CABCVRRESA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1sccc1Cl ZINC001173221921 1051636614 /nfs/dbraw/zinc/63/66/14/1051636614.db2.gz RAGWMVLVPFAIKX-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1ccc(F)cc1 ZINC001173219376 1051637158 /nfs/dbraw/zinc/63/71/58/1051637158.db2.gz BUICBBKUTYQYRY-ZDUSSCGKSA-N 1 0 316.376 4.190 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1Cl ZINC001173225039 1051638889 /nfs/dbraw/zinc/63/88/89/1051638889.db2.gz BAXLBOJTNKZGNL-CYBMUJFWSA-N 1 0 318.804 4.311 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(Cl)s1 ZINC001173230099 1051638942 /nfs/dbraw/zinc/63/89/42/1051638942.db2.gz QMPANIBKCQIMTC-LLVKDONJSA-N 1 0 324.833 4.073 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001173227116 1051638965 /nfs/dbraw/zinc/63/89/65/1051638965.db2.gz OEHMIHCUYFJSOY-YJBOKZPZSA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001173227197 1051639005 /nfs/dbraw/zinc/63/90/05/1051639005.db2.gz OGKQCOHXMFOICH-CZUORRHYSA-N 1 0 316.426 4.424 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CC2CCC2)CC1 ZINC001173225591 1051639035 /nfs/dbraw/zinc/63/90/35/1051639035.db2.gz SLWYEDFTYOZMIE-CQSZACIVSA-N 1 0 302.418 4.086 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001173231949 1051640921 /nfs/dbraw/zinc/64/09/21/1051640921.db2.gz PCGMTYPGZPFEOR-USXIJHARSA-N 1 0 302.418 4.038 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001173231858 1051641540 /nfs/dbraw/zinc/64/15/40/1051641540.db2.gz OANFVBDVLBAIAD-LESCRADOSA-N 1 0 302.418 4.180 20 5 DIBDRO CC[N@H+](Cc1cccs1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232507 1051641612 /nfs/dbraw/zinc/64/16/12/1051641612.db2.gz RKHLOPURGDYLJW-CYBMUJFWSA-N 1 0 304.415 4.109 20 5 DIBDRO Cc1ccc(C2([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173235426 1051641889 /nfs/dbraw/zinc/64/18/89/1051641889.db2.gz SULLBPQQNGMGPI-OAHLLOKOSA-N 1 0 310.397 4.113 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC001173212569 1051649623 /nfs/dbraw/zinc/64/96/23/1051649623.db2.gz AZBISAZIHBNVOA-SALMBKGGSA-N 1 0 314.429 4.084 20 5 DIBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211140 1051650059 /nfs/dbraw/zinc/65/00/59/1051650059.db2.gz PUXBXYRZGDXAOL-ZDUSSCGKSA-N 1 0 323.396 4.120 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c(C)cccc1[N+](=O)[O-] ZINC001169696206 1051674922 /nfs/dbraw/zinc/67/49/22/1051674922.db2.gz KORMPGGLSILAAU-OAHLLOKOSA-N 1 0 311.385 4.143 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000404690073 1051884216 /nfs/dbraw/zinc/88/42/16/1051884216.db2.gz OVPGZYCHVWBDHR-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CC(C)C1CC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494514865 1051906980 /nfs/dbraw/zinc/90/69/80/1051906980.db2.gz YUDJWEOQTLMWFX-UHFFFAOYSA-N 1 0 316.323 4.138 20 5 DIBDRO c1[nH]nc2c1CC[N@@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC000769469068 1052060728 /nfs/dbraw/zinc/06/07/28/1052060728.db2.gz RKAQHJPYEHJIPX-UHFFFAOYSA-N 1 0 313.404 4.274 20 5 DIBDRO c1cc2ccc3ccc(CO[C@@H]4CC[NH2+]C4)c4ccc(c1)c2c34 ZINC001217787253 1052141746 /nfs/dbraw/zinc/14/17/46/1052141746.db2.gz QKIZMECKQOLKIO-GOSISDBHSA-N 1 0 301.389 4.463 20 5 DIBDRO C[C@H]1C[C@H](OCc2c3ccccc3nc3ccccc32)CC[NH2+]1 ZINC001217787511 1052141846 /nfs/dbraw/zinc/14/18/46/1052141846.db2.gz BBLWUXFPABFIAF-LSDHHAIUSA-N 1 0 306.409 4.045 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217781625 1052141907 /nfs/dbraw/zinc/14/19/07/1052141907.db2.gz MGWRPAZKECQRAD-BTYIYWSLSA-N 1 0 320.436 4.293 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000494834447 1052146727 /nfs/dbraw/zinc/14/67/27/1052146727.db2.gz FBGHUQIQOPTCAW-LLVKDONJSA-N 1 0 304.312 4.114 20 5 DIBDRO C[NH2+][C@H]1CC[C@H](OCc2c3ccccc3nc3ccccc32)CC1 ZINC001217824077 1052148020 /nfs/dbraw/zinc/14/80/20/1052148020.db2.gz OLHROFMFRCRKDN-WKILWMFISA-N 1 0 320.436 4.435 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4CC[NH2+]C[C@@H]4F)c3c2n1 ZINC001218073113 1052192772 /nfs/dbraw/zinc/19/27/72/1052192772.db2.gz YWURGIATTRTVRR-IRXDYDNUSA-N 1 0 324.399 4.084 20 5 DIBDRO c1ccc2c(c1)nc(O[C@@H]1CCC13CC[NH2+]CC3)c1ccccc21 ZINC001218078558 1052193795 /nfs/dbraw/zinc/19/37/95/1052193795.db2.gz CMBAZBDQRCGLFU-LJQANCHMSA-N 1 0 318.420 4.299 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@H]3CCC34CC[NH2+]CC4)c12 ZINC001218083989 1052194985 /nfs/dbraw/zinc/19/49/85/1052194985.db2.gz XBJOMYNKHIDJJZ-SFHVURJKSA-N 1 0 318.420 4.299 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000193132707 1052197008 /nfs/dbraw/zinc/19/70/08/1052197008.db2.gz AQMGDRVOSCFYNG-LLVKDONJSA-N 1 0 320.414 4.133 20 5 DIBDRO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000495016134 1052197333 /nfs/dbraw/zinc/19/73/33/1052197333.db2.gz HFQVQOHXONCKJA-OLZOCXBDSA-N 1 0 312.360 4.461 20 5 DIBDRO c1ccc2cc3cc(O[C@@H]4CSC5(C[NH2+]C5)C4)ccc3cc2c1 ZINC001218099495 1052197765 /nfs/dbraw/zinc/19/77/65/1052197765.db2.gz HSSANMTVTXLMBZ-IBGZPJMESA-N 1 0 321.445 4.219 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218185500 1052204511 /nfs/dbraw/zinc/20/45/11/1052204511.db2.gz DQDKGJDVZONVPZ-MUJYYYPQSA-N 1 0 304.393 4.050 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2CCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001218234834 1052210212 /nfs/dbraw/zinc/21/02/12/1052210212.db2.gz LGDUORDTQIVFIY-AWEZNQCLSA-N 1 0 319.404 4.220 20 5 DIBDRO CC1(C)C[NH2+]CC[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218316396 1052224648 /nfs/dbraw/zinc/22/46/48/1052224648.db2.gz QYERVODZLHTHBC-GOSISDBHSA-N 1 0 321.420 4.466 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000914797302 1052256157 /nfs/dbraw/zinc/25/61/57/1052256157.db2.gz PHQWYXJVWUIDHF-CYBMUJFWSA-N 1 0 302.374 4.032 20 5 DIBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000495401930 1052336418 /nfs/dbraw/zinc/33/64/18/1052336418.db2.gz OYAPOYPFDDWDKC-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO CC(C)[NH+](CCSCc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000762205129 1052339905 /nfs/dbraw/zinc/33/99/05/1052339905.db2.gz BKIPKXJJVFQLQF-UHFFFAOYSA-N 1 0 314.426 4.086 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000316746156 1052472418 /nfs/dbraw/zinc/47/24/18/1052472418.db2.gz PVJIOKVQPOEAOB-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000193901907 1052510479 /nfs/dbraw/zinc/51/04/79/1052510479.db2.gz WREINBRPUHGLTJ-RYUDHWBXSA-N 1 0 318.348 4.154 20 5 DIBDRO CC(C)CCOC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194337973 1052535741 /nfs/dbraw/zinc/53/57/41/1052535741.db2.gz OOYUCFIAWWDUQC-OAHLLOKOSA-N 1 0 320.433 4.183 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OC(Cl)(Cl)c1ccc(Cl)cc1 ZINC001223128257 1052569614 /nfs/dbraw/zinc/56/96/14/1052569614.db2.gz GYDQQSVDRJLWCM-SNVBAGLBSA-N 1 0 311.660 4.039 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OC(Cl)(c1ccccc1)c1ccccc1 ZINC001223159543 1052573755 /nfs/dbraw/zinc/57/37/55/1052573755.db2.gz JAXWETZICQJJAK-MRXNPFEDSA-N 1 0 318.868 4.238 20 5 DIBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000916967962 1052675644 /nfs/dbraw/zinc/67/56/44/1052675644.db2.gz HODAEONFVDWZQM-QGZVFWFLSA-N 1 0 314.360 4.379 20 5 DIBDRO C[N+](C)(C)CCCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001224619800 1052710480 /nfs/dbraw/zinc/71/04/80/1052710480.db2.gz QWAMMVCLYSYPQA-UHFFFAOYSA-N 1 0 320.403 4.167 20 5 DIBDRO C[N+](C)(C)CCO[C@H](c1ccccc1)c1ccccc1Cl ZINC001224773111 1052724482 /nfs/dbraw/zinc/72/44/82/1052724482.db2.gz DMHGFKPKGGJSNW-GOSISDBHSA-N 1 0 304.841 4.152 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1cccc([N+](=O)[O-])c1 ZINC000154610564 1052773764 /nfs/dbraw/zinc/77/37/64/1052773764.db2.gz BJBQJLXWFNLXLF-BTDLBPIBSA-N 1 0 318.323 4.211 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000609281054 1052804141 /nfs/dbraw/zinc/80/41/41/1052804141.db2.gz ZVIUDPRPKSRADP-KRWDZBQOSA-N 1 0 310.397 4.050 20 5 DIBDRO Cc1cccc(O[C@@H](CC[NH+](C)C)c2cccs2)c1[N+](=O)[O-] ZINC001225633437 1052810659 /nfs/dbraw/zinc/81/06/59/1052810659.db2.gz RQQVFZQENHQHHY-ZDUSSCGKSA-N 1 0 320.414 4.037 20 5 DIBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609288225 1052840127 /nfs/dbraw/zinc/84/01/27/1052840127.db2.gz DUIMTVTZUVWBDX-GJZGRUSLSA-N 1 0 306.406 4.052 20 5 DIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000609287653 1052841841 /nfs/dbraw/zinc/84/18/41/1052841841.db2.gz IXIOPSZXGRRFOF-ARFHVFGLSA-N 1 0 318.417 4.052 20 5 DIBDRO COc1ccc(C[NH2+]C(CC(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000609288294 1052842691 /nfs/dbraw/zinc/84/26/91/1052842691.db2.gz OGEYHGPQCDASRK-UHFFFAOYSA-N 1 0 308.422 4.154 20 5 DIBDRO O[C@@H]1CCC[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000920182945 1052926036 /nfs/dbraw/zinc/92/60/36/1052926036.db2.gz WDVOEUWLOHCUOV-QZTJIDSGSA-N 1 0 305.421 4.386 20 5 DIBDRO C[N@@H+]1CCC[C@H](Oc2nc3ccccc3c3ccccc32)CC1 ZINC001226993409 1052951764 /nfs/dbraw/zinc/95/17/64/1052951764.db2.gz WFBJRPRPRURTJF-HNNXBMFYSA-N 1 0 306.409 4.251 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000609672651 1052986169 /nfs/dbraw/zinc/98/61/69/1052986169.db2.gz NUUWLGIDODNSLW-WFASDCNBSA-N 1 0 302.399 4.034 20 5 DIBDRO CC(C)(C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000610089218 1053007667 /nfs/dbraw/zinc/00/76/67/1053007667.db2.gz LUVCKCYKQUDKDN-UHFFFAOYSA-N 1 0 316.348 4.112 20 5 DIBDRO CC(C)[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610089326 1053008022 /nfs/dbraw/zinc/00/80/22/1053008022.db2.gz NELZGBDBBCEIHX-CYBMUJFWSA-N 1 0 302.374 4.237 20 5 DIBDRO CC[N@@H+]1CCC[C@@H](Oc2cccc3ccc4cccnc4c32)C1 ZINC001227764126 1053014501 /nfs/dbraw/zinc/01/45/01/1053014501.db2.gz KXLXASCZCJZJIY-QGZVFWFLSA-N 1 0 306.409 4.251 20 5 DIBDRO Cc1c(C[NH2+]C(C)(C)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000179576686 1053016274 /nfs/dbraw/zinc/01/62/74/1053016274.db2.gz AIUYYQXURQELNG-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC001228090925 1053042705 /nfs/dbraw/zinc/04/27/05/1053042705.db2.gz QTZDZQZTJXNXCO-SNVBAGLBSA-N 1 0 314.236 4.015 20 5 DIBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc3cc4ccccc4nc31)C2 ZINC001228173226 1053050075 /nfs/dbraw/zinc/05/00/75/1053050075.db2.gz JCEJPFGLSYZEOS-BCDXTJNWSA-N 1 0 318.420 4.392 20 5 DIBDRO CCn1ccc(C[N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000616737717 1053070550 /nfs/dbraw/zinc/07/05/50/1053070550.db2.gz ABZYRLRGIGYLGY-UHFFFAOYSA-N 1 0 315.417 4.172 20 5 DIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617220452 1053117623 /nfs/dbraw/zinc/11/76/23/1053117623.db2.gz BEVIRLWPHINCMU-GXTWGEPZSA-N 1 0 317.389 4.185 20 5 DIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617220454 1053117918 /nfs/dbraw/zinc/11/79/18/1053117918.db2.gz BEVIRLWPHINCMU-OCCSQVGLSA-N 1 0 317.389 4.185 20 5 DIBDRO C[NH+](C)C1CCC(Oc2cccc3nc4ccccc4nc32)CC1 ZINC001228518648 1053124786 /nfs/dbraw/zinc/12/47/86/1053124786.db2.gz HVEROQHRKNNSJA-UHFFFAOYSA-N 1 0 321.424 4.035 20 5 DIBDRO CC(C)[NH+]1CCC(Oc2ccc3nc4ccccc4nc3c2)CC1 ZINC001228740085 1053170857 /nfs/dbraw/zinc/17/08/57/1053170857.db2.gz GUVNBTIVMADJCE-UHFFFAOYSA-N 1 0 321.424 4.035 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1 ZINC000069878393 1053315464 /nfs/dbraw/zinc/31/54/64/1053315464.db2.gz OUPWEPLSRQZLJS-UHFFFAOYSA-N 1 0 302.761 4.027 20 5 DIBDRO CC(=O)c1cccc(-c2ccccc2)c1O[C@H](C)C[N+](C)(C)C ZINC001229571418 1053354982 /nfs/dbraw/zinc/35/49/82/1053354982.db2.gz OJYSWLVKSOVAHK-OAHLLOKOSA-N 1 0 312.433 4.030 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([C@@H](C)c2ccc(O)cc2)cc1 ZINC001229578973 1053357714 /nfs/dbraw/zinc/35/77/14/1053357714.db2.gz RUQAZISYFONZJV-CVEARBPZSA-O 1 0 314.449 4.018 20 5 DIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618988724 1053417384 /nfs/dbraw/zinc/41/73/84/1053417384.db2.gz WWNVBSZBHKRYGX-YGRLFVJLSA-N 1 0 310.344 4.095 20 5 DIBDRO CC(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC001321652711 1053425628 /nfs/dbraw/zinc/42/56/28/1053425628.db2.gz CJNJOXPKCHCGBF-UHFFFAOYSA-N 1 0 324.424 4.497 20 5 DIBDRO CS[C@@H]1CC[C@H]([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001321750164 1053430198 /nfs/dbraw/zinc/43/01/98/1053430198.db2.gz ZNMZZQYDCIYNPZ-DZKOEADISA-N 1 0 320.458 4.214 20 5 DIBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nccc3c4ccccc4ccc32)C1 ZINC001230203161 1053492894 /nfs/dbraw/zinc/49/28/94/1053492894.db2.gz IYVIGBSOHKLQDL-MRXNPFEDSA-N 1 0 306.409 4.250 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619754176 1053547461 /nfs/dbraw/zinc/54/74/61/1053547461.db2.gz LUKXPAZBTFQZCU-MEDUHNTESA-N 1 0 302.399 4.385 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000619781365 1053559315 /nfs/dbraw/zinc/55/93/15/1053559315.db2.gz NOZOBHZMVJUTLB-IAGOWNOFSA-N 1 0 318.417 4.127 20 5 DIBDRO CO[C@@H]1CC[N@H+](CCOc2ccc3cc4ccccc4cc3c2)C1 ZINC001231096561 1053675555 /nfs/dbraw/zinc/67/55/55/1053675555.db2.gz CIXGLGLSCQHKPN-OAQYLSRUSA-N 1 0 321.420 4.093 20 5 DIBDRO CC(C)([NH2+]Cc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001325493793 1053721337 /nfs/dbraw/zinc/72/13/37/1053721337.db2.gz ITYWVIZEMULTLQ-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1cccc([N+](=O)[O-])c1 ZINC000081181377 1053990904 /nfs/dbraw/zinc/99/09/04/1053990904.db2.gz DLRNCIRPOHFQBB-DIFFPNOSSA-N 1 0 300.333 4.072 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CC4CCC(CC4)C3)nc12 ZINC001232224217 1053994833 /nfs/dbraw/zinc/99/48/33/1053994833.db2.gz FTHXNPDAYWWTHL-UHFFFAOYSA-N 1 0 317.436 4.405 20 5 DIBDRO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)CC1CCCC1 ZINC001232222902 1053995162 /nfs/dbraw/zinc/99/51/62/1053995162.db2.gz IIABIUDMKUMNPH-UHFFFAOYSA-N 1 0 305.425 4.405 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)nc12 ZINC001232219597 1053995372 /nfs/dbraw/zinc/99/53/72/1053995372.db2.gz WBDRNPQUGMMHPX-HDICACEKSA-N 1 0 317.436 4.405 20 5 DIBDRO CCC(CC)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001200823353 1054010777 /nfs/dbraw/zinc/01/07/77/1054010777.db2.gz YPULIRNDVQIGED-UHFFFAOYSA-N 1 0 312.413 4.442 20 5 DIBDRO CC(=O)c1cc(Cl)c2ccccc2c1O[C@@H](C)C[N+](C)(C)C ZINC001233541160 1054291547 /nfs/dbraw/zinc/29/15/47/1054291547.db2.gz FLSVLAOYBMCSQF-LBPRGKRZSA-N 1 0 320.840 4.169 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1C[NH+]2CCC1CC2 ZINC001233662269 1054326438 /nfs/dbraw/zinc/32/64/38/1054326438.db2.gz LCFIWSXEXBPVKY-HXUWFJFHSA-N 1 0 303.405 4.466 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000072744586 1054526077 /nfs/dbraw/zinc/52/60/77/1054526077.db2.gz FQEGJKDLRKSFDO-QGZVFWFLSA-N 1 0 320.433 4.013 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000468386735 1054703681 /nfs/dbraw/zinc/70/36/81/1054703681.db2.gz ZBGBPPVCEXETOA-TZMCWYRMSA-N 1 0 316.401 4.477 20 5 DIBDRO Clc1c2ccccc2c(CN2C[C@@H]3[NH2+]C[C@H]3C2)c2ccccc12 ZINC001236286918 1055050905 /nfs/dbraw/zinc/05/09/05/1055050905.db2.gz UUCXTFPGTJFGFO-DJJJIMSYSA-N 1 0 322.839 4.050 20 5 DIBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000112532954 1055109313 /nfs/dbraw/zinc/10/93/13/1055109313.db2.gz CVSNWBFMMUJSEB-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CCCCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001168531765 1055167007 /nfs/dbraw/zinc/16/70/07/1055167007.db2.gz SQRULGRITQTRGG-IRXDYDNUSA-N 1 0 322.449 4.213 20 5 DIBDRO Cc1cccc(C)c1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001620835378 1055226047 /nfs/dbraw/zinc/22/60/47/1055226047.db2.gz GMXWMICVZIGLLZ-UHFFFAOYSA-N 1 0 312.413 4.161 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000765435949 1055388107 /nfs/dbraw/zinc/38/81/07/1055388107.db2.gz DZFFYTIRIRSDGX-DZGCQCFKSA-N 1 0 314.385 4.021 20 5 DIBDRO CC(C)c1ccc(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001620862362 1055489684 /nfs/dbraw/zinc/48/96/84/1055489684.db2.gz ODHNAGJEXHOMFV-HNNXBMFYSA-N 1 0 312.413 4.439 20 5 DIBDRO Cc1cc(C)c(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC001620871875 1055499770 /nfs/dbraw/zinc/49/97/70/1055499770.db2.gz VPDVCKFFSVFCIW-UHFFFAOYSA-N 1 0 312.413 4.161 20 5 DIBDRO CC(C)=CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001620900265 1055525218 /nfs/dbraw/zinc/52/52/18/1055525218.db2.gz GLXBRBPMTXXPEC-UHFFFAOYSA-N 1 0 300.358 4.301 20 5 DIBDRO CC(C)c1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000131464279 1055777198 /nfs/dbraw/zinc/77/71/98/1055777198.db2.gz KEHVURCUEDKDMT-UHFFFAOYSA-N 1 0 323.396 4.489 20 5 DIBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001620786184 1055960632 /nfs/dbraw/zinc/96/06/32/1055960632.db2.gz ACECFXCYXFFQAH-VFNWGFHPSA-N 1 0 307.437 4.490 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC001620569891 1055966829 /nfs/dbraw/zinc/96/68/29/1055966829.db2.gz RUBPAHQVTRYONZ-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)cc1 ZINC001620796308 1055975459 /nfs/dbraw/zinc/97/54/59/1055975459.db2.gz GVHDSONBBOXQBI-VBKFSLOCSA-N 1 0 310.397 4.139 20 5 DIBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1(C)C ZINC001620812632 1056005139 /nfs/dbraw/zinc/00/51/39/1056005139.db2.gz OEWUWAROGUIYLH-WMZOPIPTSA-N 1 0 320.433 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CCC3)o2)cc1 ZINC001621053702 1056011147 /nfs/dbraw/zinc/01/11/47/1056011147.db2.gz GGWILNGOWMKWLR-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC001621055184 1056012116 /nfs/dbraw/zinc/01/21/16/1056012116.db2.gz NUKUVKYQWDXRJD-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCC3(CCCC3)CC2)cc1 ZINC001649106536 1056012442 /nfs/dbraw/zinc/01/24/42/1056012442.db2.gz KGBYKVMHNLOHQM-UHFFFAOYSA-N 1 0 318.417 4.066 20 5 DIBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001620818407 1056089493 /nfs/dbraw/zinc/08/94/93/1056089493.db2.gz VCOFVHKIHVWJSH-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000027537195 1056164313 /nfs/dbraw/zinc/16/43/13/1056164313.db2.gz XDNNEWWYXYPSOW-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1 ZINC001615175515 1056471921 /nfs/dbraw/zinc/47/19/21/1056471921.db2.gz GEEHPPXISATRJS-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO CC(C)[N@H+](CCOCC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001615264532 1056484626 /nfs/dbraw/zinc/48/46/26/1056484626.db2.gz CGHZZCDMBJOMSF-UHFFFAOYSA-N 1 0 320.433 4.012 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC001615302739 1056488926 /nfs/dbraw/zinc/48/89/26/1056488926.db2.gz JOGUBQJUVNWETD-GOEBONIOSA-N 1 0 320.433 4.393 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)CC)ccc1[N+](=O)[O-] ZINC001615600244 1056542361 /nfs/dbraw/zinc/54/23/61/1056542361.db2.gz HGXCGINHLSYPLW-ZBFHGGJFSA-N 1 0 320.433 4.394 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC001615640085 1056554096 /nfs/dbraw/zinc/55/40/96/1056554096.db2.gz QUNZSJYTUCZPJT-KBPBESRZSA-N 1 0 306.406 4.002 20 5 DIBDRO CCC1CCC([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC001615789374 1056576316 /nfs/dbraw/zinc/57/63/16/1056576316.db2.gz LRADUSSBTPCUSI-UHFFFAOYSA-N 1 0 324.396 4.143 20 5 DIBDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001615818219 1056579879 /nfs/dbraw/zinc/57/98/79/1056579879.db2.gz REHIKYUCKULZPI-NSHDSACASA-N 1 0 324.833 4.373 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001616331959 1056636013 /nfs/dbraw/zinc/63/60/13/1056636013.db2.gz MZLUSUCNWUADOR-OAHLLOKOSA-N 1 0 306.406 4.018 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001616523205 1056671500 /nfs/dbraw/zinc/67/15/00/1056671500.db2.gz RLWATPMKNCFOJA-OAHLLOKOSA-N 1 0 306.312 4.114 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(Cc3ccccc3)CCCC2)cs1 ZINC001617088550 1056774207 /nfs/dbraw/zinc/77/42/07/1056774207.db2.gz LDBZEEHSUQGOSJ-UHFFFAOYSA-N 1 0 316.426 4.301 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC001617088814 1056774526 /nfs/dbraw/zinc/77/45/26/1056774526.db2.gz OTKCBDSWOQKFQL-UHFFFAOYSA-N 1 0 310.397 4.240 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1C ZINC001617339649 1056817152 /nfs/dbraw/zinc/81/71/52/1056817152.db2.gz ZFGJFOTZDXBFLM-AWEZNQCLSA-N 1 0 306.406 4.147 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1C ZINC001617339651 1056817746 /nfs/dbraw/zinc/81/77/46/1056817746.db2.gz ZFGJFOTZDXBFLM-CQSZACIVSA-N 1 0 306.406 4.147 20 5 DIBDRO CC(C)c1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001617464510 1056837256 /nfs/dbraw/zinc/83/72/56/1056837256.db2.gz DLFWNBAWFTZBAJ-UHFFFAOYSA-N 1 0 312.413 4.393 20 5 DIBDRO CCCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001618214876 1056936172 /nfs/dbraw/zinc/93/61/72/1056936172.db2.gz RGZSZDKKYCABGL-ZBFHGGJFSA-N 1 0 305.422 4.171 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347715158 1057014196 /nfs/dbraw/zinc/01/41/96/1057014196.db2.gz GACHEKSSLCVMDQ-OAHLLOKOSA-N 1 0 323.396 4.149 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2-c1ncc2c(n1)CC[NH2+]C2 ZINC001241378880 1057031581 /nfs/dbraw/zinc/03/15/81/1057031581.db2.gz MWTJEWKTUZPXGJ-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000285312798 1057099530 /nfs/dbraw/zinc/09/95/30/1057099530.db2.gz SPZTYPHWNJNMER-KZULUSFZSA-N 1 0 312.369 4.029 20 5 DIBDRO Cc1csc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000162356240 1057127400 /nfs/dbraw/zinc/12/74/00/1057127400.db2.gz UQONUJAGIUNMFQ-NEPJUHHUSA-N 1 0 305.403 4.080 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccoc1C ZINC000611248194 1057586421 /nfs/dbraw/zinc/58/64/21/1057586421.db2.gz JPPITVWWUCJVCI-AWEZNQCLSA-N 1 0 320.414 4.157 20 5 DIBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611293102 1057589520 /nfs/dbraw/zinc/58/95/20/1057589520.db2.gz FRKZPLSBJZHZPF-CQSZACIVSA-N 1 0 313.401 4.272 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000611299971 1057590473 /nfs/dbraw/zinc/59/04/73/1057590473.db2.gz UGRCVQHPUHWAHH-KDOFPFPSSA-N 1 0 313.401 4.490 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000611336758 1057591222 /nfs/dbraw/zinc/59/12/22/1057591222.db2.gz DFCPJFIQXFNARY-YOEHRIQHSA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000611336836 1057591313 /nfs/dbraw/zinc/59/13/13/1057591313.db2.gz PNDITGVIHZUDPZ-RHSMWYFYSA-N 1 0 320.433 4.149 20 5 DIBDRO CC[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336831 1057591548 /nfs/dbraw/zinc/59/15/48/1057591548.db2.gz PFANHQKHVDCOJZ-DLBZAZTESA-N 1 0 320.433 4.231 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000611337281 1057591552 /nfs/dbraw/zinc/59/15/52/1057591552.db2.gz UQEFHCDRZWTBMU-JLJPHGGASA-N 1 0 302.418 4.084 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000611404402 1057597471 /nfs/dbraw/zinc/59/74/71/1057597471.db2.gz GNVQBLSXXNORKM-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO CC[NH+](CC)Cc1cccc(CNc2sccc2[N+](=O)[O-])c1 ZINC000611411690 1057598397 /nfs/dbraw/zinc/59/83/97/1057598397.db2.gz KPIRCUPCOZFWJL-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000611515758 1057604907 /nfs/dbraw/zinc/60/49/07/1057604907.db2.gz UMFBPSGZSVHRHL-ZIAGYGMSSA-N 1 0 300.358 4.047 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000732229942 1057771773 /nfs/dbraw/zinc/77/17/73/1057771773.db2.gz QCMKIWVWZVOVRG-ZDUSSCGKSA-N 1 0 316.788 4.068 20 5 DIBDRO O=[N+]([O-])c1sccc1NCCCCCCC[NH+]1CCCC1 ZINC000732567711 1057780133 /nfs/dbraw/zinc/78/01/33/1057780133.db2.gz SFVXJAQEVDNGMH-UHFFFAOYSA-N 1 0 311.451 4.115 20 5 DIBDRO C[C@@H]1C[C@@H](N(C)Cc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001246863821 1059137770 /nfs/dbraw/zinc/13/77/70/1059137770.db2.gz ZYVUZUICFPOIMZ-CRAIPNDOSA-N 1 0 304.437 4.175 20 5 DIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC001559497934 1059278919 /nfs/dbraw/zinc/27/89/19/1059278919.db2.gz QPIZHWYCCGWTII-LJQANCHMSA-N 1 0 324.424 4.364 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(F)(F)C1 ZINC001559499514 1059284832 /nfs/dbraw/zinc/28/48/32/1059284832.db2.gz VZEHPARDHIPAML-CQSZACIVSA-N 1 0 312.360 4.241 20 5 DIBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001559510491 1059301192 /nfs/dbraw/zinc/30/11/92/1059301192.db2.gz JKPAVEMEGGMOSD-LLVKDONJSA-N 1 0 316.323 4.236 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC001559520153 1059315179 /nfs/dbraw/zinc/31/51/79/1059315179.db2.gz ABPNCXXSXXODGR-LJQANCHMSA-N 1 0 324.424 4.407 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC001559520152 1059317148 /nfs/dbraw/zinc/31/71/48/1059317148.db2.gz ABPNCXXSXXODGR-IBGZPJMESA-N 1 0 324.424 4.407 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001559538975 1059339956 /nfs/dbraw/zinc/33/99/56/1059339956.db2.gz CJKRJADZMKZHMC-CZUORRHYSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001559538973 1059341274 /nfs/dbraw/zinc/34/12/74/1059341274.db2.gz CJKRJADZMKZHMC-BBRMVZONSA-N 1 0 314.360 4.112 20 5 DIBDRO C[NH+]1CC(c2nc(-c3cc4ccccc4c4ccccc34)no2)C1 ZINC001247369417 1059410232 /nfs/dbraw/zinc/41/02/32/1059410232.db2.gz NPYNVKFKMBVABE-UHFFFAOYSA-N 1 0 315.376 4.072 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2CCC(C)C)ccc1[N+](=O)[O-] ZINC001559647058 1059473069 /nfs/dbraw/zinc/47/30/69/1059473069.db2.gz YWDXSQPPFLAYIN-INIZCTEOSA-N 1 0 320.433 4.394 20 5 DIBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001559673640 1059498905 /nfs/dbraw/zinc/49/89/05/1059498905.db2.gz OPEZJXFOXXJVBK-CWRNSKLLSA-N 1 0 318.417 4.004 20 5 DIBDRO CCC[N@H+](CCc1cccs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001559729841 1059562602 /nfs/dbraw/zinc/56/26/02/1059562602.db2.gz NCDNCAZMBNVCNE-UHFFFAOYSA-N 1 0 322.405 4.250 20 5 DIBDRO Cc1ccc([C@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC001559742945 1059574991 /nfs/dbraw/zinc/57/49/91/1059574991.db2.gz AHHXZLIJAORLRW-SFHVURJKSA-N 1 0 310.397 4.201 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCC1(C)C ZINC001559782604 1059619320 /nfs/dbraw/zinc/61/93/20/1059619320.db2.gz UGXAYRYYTWBAFT-INIZCTEOSA-N 1 0 304.434 4.286 20 5 DIBDRO c1ccc2c(c1)cc(-c1noc([C@@H]3CC[NH2+]C3)n1)c1ccccc21 ZINC001247789344 1059630495 /nfs/dbraw/zinc/63/04/95/1059630495.db2.gz VMXDIPBPXZIZCH-CQSZACIVSA-N 1 0 315.376 4.120 20 5 DIBDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC001559811549 1059646041 /nfs/dbraw/zinc/64/60/41/1059646041.db2.gz LKOVEMBRAQAMKY-IXKJSCDLSA-N 1 0 320.433 4.085 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC001559924761 1059741759 /nfs/dbraw/zinc/74/17/59/1059741759.db2.gz BTQNZBKLFCFHLK-ZDUSSCGKSA-N 1 0 308.809 4.260 20 5 DIBDRO CCOc1cc(C[N@@H+]2CC(C)(C)CCC2(C)C)ccc1[N+](=O)[O-] ZINC001560012327 1059819734 /nfs/dbraw/zinc/81/97/34/1059819734.db2.gz QKYQIDPRWFEWOE-UHFFFAOYSA-N 1 0 320.433 4.394 20 5 DIBDRO C/C=C\C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001560041651 1059858244 /nfs/dbraw/zinc/85/82/44/1059858244.db2.gz SRUIREGZHSSXKP-XQJDBVBESA-N 1 0 308.809 4.426 20 5 DIBDRO CCCCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC001560211908 1059990068 /nfs/dbraw/zinc/99/00/68/1059990068.db2.gz XPZORUVWEXWNRQ-UHFFFAOYSA-N 1 0 306.406 4.194 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1=CCCCC1 ZINC001560254080 1060021290 /nfs/dbraw/zinc/02/12/90/1060021290.db2.gz YQAHHGOEZSFNMO-QINSGFPZSA-N 1 0 300.402 4.478 20 5 DIBDRO CC[NH2+]Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001249136312 1060169470 /nfs/dbraw/zinc/16/94/70/1060169470.db2.gz OPTYYPDCPMKJMC-UHFFFAOYSA-N 1 0 303.365 4.153 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)o2)cc1 ZINC001560500842 1060297101 /nfs/dbraw/zinc/29/71/01/1060297101.db2.gz FRYXCYWMPRHEJI-XOKHGSTOSA-N 1 0 312.369 4.133 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@H]3C3CCC3)o2)c1 ZINC001560512454 1060310240 /nfs/dbraw/zinc/31/02/40/1060310240.db2.gz ZGKVSJVJFSBRBN-DLBZAZTESA-N 1 0 312.369 4.133 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)o1 ZINC001560516054 1060315376 /nfs/dbraw/zinc/31/53/76/1060315376.db2.gz RIPKVEKLIQJTDV-OLZOCXBDSA-N 1 0 318.348 4.225 20 5 DIBDRO COC[C@H](CC(C)(C)C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001560517716 1060317815 /nfs/dbraw/zinc/31/78/15/1060317815.db2.gz UWJWVOLGJWMNSP-IDJPSDCMSA-N 1 0 320.433 4.039 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC001560535579 1060341952 /nfs/dbraw/zinc/34/19/52/1060341952.db2.gz ZZQMZTZKCVGGPD-INIZCTEOSA-N 1 0 300.358 4.133 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc2[nH]ccc21 ZINC001560567484 1060378634 /nfs/dbraw/zinc/37/86/34/1060378634.db2.gz IZVHSAQYIUWUKO-GXDHUFHOSA-N 1 0 321.380 4.269 20 5 DIBDRO C[C@@H]([NH2+]C/C=C\c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001560587711 1060399382 /nfs/dbraw/zinc/39/93/82/1060399382.db2.gz ZIRDKQZJYSZJRR-HSBHDXMMSA-N 1 0 300.333 4.098 20 5 DIBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001560591943 1060405047 /nfs/dbraw/zinc/40/50/47/1060405047.db2.gz SERGDKYFYIGXEO-OLZOCXBDSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1ccc(C[NH2+]CCC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001560594384 1060406753 /nfs/dbraw/zinc/40/67/53/1060406753.db2.gz KRUMNLLFDOYOPJ-UHFFFAOYSA-N 1 0 310.397 4.115 20 5 DIBDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001560604492 1060416357 /nfs/dbraw/zinc/41/63/57/1060416357.db2.gz ZPATWQIBOLSHKO-ZDUSSCGKSA-N 1 0 318.804 4.450 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@H]43)o2)c1 ZINC001560615639 1060429713 /nfs/dbraw/zinc/42/97/13/1060429713.db2.gz WXFPDGFHTQKTHD-CSMYWGQOSA-N 1 0 312.369 4.133 20 5 DIBDRO Cc1ccc(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC001560639322 1060455191 /nfs/dbraw/zinc/45/51/91/1060455191.db2.gz UBLFXMYVKBTUBB-UHFFFAOYSA-N 1 0 324.424 4.419 20 5 DIBDRO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001560697979 1060548432 /nfs/dbraw/zinc/54/84/32/1060548432.db2.gz WSDHJOFHVAEBDZ-HUUCEWRRSA-N 1 0 302.418 4.169 20 5 DIBDRO CC[C@@H]1CCC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001560697977 1060551675 /nfs/dbraw/zinc/55/16/75/1060551675.db2.gz WSDHJOFHVAEBDZ-CABCVRRESA-N 1 0 302.418 4.169 20 5 DIBDRO Cc1c(C[NH+]2CC([C@H]3CCC[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC001560977765 1060842097 /nfs/dbraw/zinc/84/20/97/1060842097.db2.gz JSPLBKBJOZAVBN-ZFWWWQNUSA-N 1 0 302.418 4.161 20 5 DIBDRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001462210514 1061029764 /nfs/dbraw/zinc/02/97/64/1061029764.db2.gz KXQAFVILXPHQJF-UNEWFSDZSA-N 1 0 302.418 4.084 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1Cl ZINC001462218677 1061036356 /nfs/dbraw/zinc/03/63/56/1061036356.db2.gz VCETYXZQJZJUQD-UHFFFAOYSA-N 1 0 308.809 4.307 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001462355717 1061126315 /nfs/dbraw/zinc/12/63/15/1061126315.db2.gz HTQPQAHZBZYFAQ-BMFZPTHFSA-N 1 0 304.434 4.330 20 5 DIBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001473384178 1061127216 /nfs/dbraw/zinc/12/72/16/1061127216.db2.gz JTHMPIQFXOENEP-YGRLFVJLSA-N 1 0 316.323 4.282 20 5 DIBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001473384176 1061127913 /nfs/dbraw/zinc/12/79/13/1061127913.db2.gz JTHMPIQFXOENEP-IINYFYTJSA-N 1 0 316.323 4.282 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001473391256 1061131990 /nfs/dbraw/zinc/13/19/90/1061131990.db2.gz NABOHGXDEYUDFZ-UYAOXDASSA-N 1 0 324.424 4.138 20 5 DIBDRO Cc1cc(C)c2c(c1)C[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC001473397589 1061136910 /nfs/dbraw/zinc/13/69/10/1061136910.db2.gz MNFXGQFWWPRCTN-OAHLLOKOSA-N 1 0 310.397 4.331 20 5 DIBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473411413 1061146192 /nfs/dbraw/zinc/14/61/92/1061146192.db2.gz ZFFRVFJDWODLMX-XJKSGUPXSA-N 1 0 306.406 4.002 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC001473486973 1061188677 /nfs/dbraw/zinc/18/86/77/1061188677.db2.gz WHYIQEAXEZZLJF-IBGZPJMESA-N 1 0 324.424 4.407 20 5 DIBDRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001462511432 1061220976 /nfs/dbraw/zinc/22/09/76/1061220976.db2.gz KOQCAJREUSNIIC-GFCCVEGCSA-N 1 0 304.312 4.114 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001462556592 1061257720 /nfs/dbraw/zinc/25/77/20/1061257720.db2.gz MKKVRROJAXHFKK-JMSVASOKSA-N 1 0 308.447 4.166 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001462556519 1061257788 /nfs/dbraw/zinc/25/77/88/1061257788.db2.gz UOVHURKLHBOBRJ-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO C=C/C=C/CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001462559950 1061262367 /nfs/dbraw/zinc/26/23/67/1061262367.db2.gz WVXAFEYXHUBXNM-PIXXYMSQSA-N 1 0 300.402 4.028 20 5 DIBDRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001462579441 1061272661 /nfs/dbraw/zinc/27/26/61/1061272661.db2.gz PSGRNJWJMLINDN-JQWIXIFHSA-N 1 0 304.312 4.367 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC001473663330 1061323040 /nfs/dbraw/zinc/32/30/40/1061323040.db2.gz JMELIIZJPFNDAQ-MRXNPFEDSA-N 1 0 318.417 4.148 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](C3CCC3)CC2)cc1 ZINC001473740192 1061383592 /nfs/dbraw/zinc/38/35/92/1061383592.db2.gz CFDUMIHKEIFUDK-KRWDZBQOSA-N 1 0 302.418 4.040 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@H](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC001473741067 1061384532 /nfs/dbraw/zinc/38/45/32/1061384532.db2.gz JACRMBYGHJMYFK-INIZCTEOSA-N 1 0 302.418 4.305 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](C3CCC3)CC2)cc1 ZINC001473740193 1061384629 /nfs/dbraw/zinc/38/46/29/1061384629.db2.gz CFDUMIHKEIFUDK-QGZVFWFLSA-N 1 0 302.418 4.040 20 5 DIBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473745729 1061387424 /nfs/dbraw/zinc/38/74/24/1061387424.db2.gz QZEOTJNVLTWPQY-GOSISDBHSA-N 1 0 318.417 4.018 20 5 DIBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473745673 1061389053 /nfs/dbraw/zinc/38/90/53/1061389053.db2.gz QKAJTSZDNVCULP-GOSISDBHSA-N 1 0 318.417 4.018 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001473802742 1061414084 /nfs/dbraw/zinc/41/40/84/1061414084.db2.gz WIYQSVINAJIBIY-UHFFFAOYSA-N 1 0 324.424 4.440 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCc2c1cccc2F ZINC001473804721 1061414149 /nfs/dbraw/zinc/41/41/49/1061414149.db2.gz JGVCZDMJBWDPOX-HNNXBMFYSA-N 1 0 320.751 4.164 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCCc2ccccc2)cc1[N+](=O)[O-] ZINC001473914608 1061462652 /nfs/dbraw/zinc/46/26/52/1061462652.db2.gz UYGNKODYRYSJAV-UHFFFAOYSA-N 1 0 312.413 4.441 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCOC1CCCCC1 ZINC001473917136 1061466227 /nfs/dbraw/zinc/46/62/27/1061466227.db2.gz PQHZAIWQWUJTAF-UHFFFAOYSA-N 1 0 320.433 4.041 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccccc1Cl ZINC001473967124 1061509103 /nfs/dbraw/zinc/50/91/03/1061509103.db2.gz PPMMHDKYVYVLRI-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO CCC(CC)[C@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001458082036 1061562419 /nfs/dbraw/zinc/56/24/19/1061562419.db2.gz GRXKMDRWHIQYRV-INIZCTEOSA-N 1 0 323.412 4.046 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001474032465 1061577024 /nfs/dbraw/zinc/57/70/24/1061577024.db2.gz LXJQPHFYSFLORU-ICSRJNTNSA-N 1 0 324.424 4.311 20 5 DIBDRO Cc1ccc(C[NH2+]CC2CCC(C(C)C)CC2)cc1[N+](=O)[O-] ZINC001474054074 1061601877 /nfs/dbraw/zinc/60/18/77/1061601877.db2.gz TXMSZKVEMNJZDI-UHFFFAOYSA-N 1 0 304.434 4.455 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccccc2C2CC2)c1 ZINC001474069890 1061616353 /nfs/dbraw/zinc/61/63/53/1061616353.db2.gz TXGYKBBLFRAWCB-UHFFFAOYSA-N 1 0 316.788 4.415 20 5 DIBDRO C[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC001474131435 1061676222 /nfs/dbraw/zinc/67/62/22/1061676222.db2.gz IQKMPOHAYYUFOG-OAHLLOKOSA-N 1 0 304.434 4.333 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC001474130800 1061676479 /nfs/dbraw/zinc/67/64/79/1061676479.db2.gz ARAGFZLYMIHZDA-UHFFFAOYSA-N 1 0 322.364 4.187 20 5 DIBDRO CC1(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001474135811 1061683910 /nfs/dbraw/zinc/68/39/10/1061683910.db2.gz JYJHDUAZQTYYQK-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO C[C@@H](CCO)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001474157720 1061697754 /nfs/dbraw/zinc/69/77/54/1061697754.db2.gz PJZVOVSZFRBRRQ-MRXNPFEDSA-N 1 0 307.437 4.491 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC001474177850 1061724764 /nfs/dbraw/zinc/72/47/64/1061724764.db2.gz ZUFQSOHUDAGGJW-CVEARBPZSA-N 1 0 320.433 4.298 20 5 DIBDRO CC1CC(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC001474219767 1061779013 /nfs/dbraw/zinc/77/90/13/1061779013.db2.gz MNDHBFOZNCLQDN-UHFFFAOYSA-N 1 0 316.426 4.459 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474234073 1061795571 /nfs/dbraw/zinc/79/55/71/1061795571.db2.gz NCEXABRYGGWMBM-UHFFFAOYSA-N 1 0 314.376 4.373 20 5 DIBDRO CC[NH+](CC)C[C@@H](O)CNc1cccc2cc3ccccc3cc21 ZINC001253200209 1061828630 /nfs/dbraw/zinc/82/86/30/1061828630.db2.gz VZWMTFFATKUQGQ-IBGZPJMESA-N 1 0 322.452 4.108 20 5 DIBDRO C[C@@H](C[NH2+]C/C=C\c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001474283294 1061853055 /nfs/dbraw/zinc/85/30/55/1061853055.db2.gz NPIVCIHGKCSDAP-VSKVDJIOSA-N 1 0 314.360 4.140 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC001474284001 1061853124 /nfs/dbraw/zinc/85/31/24/1061853124.db2.gz YGFMRYLDCHMZHS-ZDUSSCGKSA-N 1 0 318.804 4.450 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(C)C)CC1 ZINC001474314853 1061886474 /nfs/dbraw/zinc/88/64/74/1061886474.db2.gz RUSNFALUVVOCKJ-PTNGSMBKSA-N 1 0 302.418 4.366 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](Cc1ccccn1)C(C)C ZINC001474363362 1061991123 /nfs/dbraw/zinc/99/11/23/1061991123.db2.gz DBTURAQXUSPIJD-UHFFFAOYSA-N 1 0 313.401 4.017 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001474413017 1062075465 /nfs/dbraw/zinc/07/54/65/1062075465.db2.gz QMXQGHOZNMYMGJ-IBGZPJMESA-N 1 0 310.397 4.331 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001459365063 1062113645 /nfs/dbraw/zinc/11/36/45/1062113645.db2.gz NZDIKUCYUCDSER-CQSZACIVSA-N 1 0 316.788 4.238 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(C[N@H+](CC2CC2)C2CCCCC2)c(F)c1 ZINC001459422825 1062139313 /nfs/dbraw/zinc/13/93/13/1062139313.db2.gz JXAZBSJPUQMLEL-UHFFFAOYSA-N 1 0 324.371 4.418 20 5 DIBDRO CC(C)(C)CC(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001459438147 1062144631 /nfs/dbraw/zinc/14/46/31/1062144631.db2.gz MOUJVJKCVOOZBE-UHFFFAOYSA-N 1 0 308.422 4.168 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1F ZINC001254534716 1062164059 /nfs/dbraw/zinc/16/40/59/1062164059.db2.gz BWSWAEGDMKHVOI-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccc(Cl)cc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254536137 1062164405 /nfs/dbraw/zinc/16/44/05/1062164405.db2.gz ODFNWOADYDJCTD-CYBMUJFWSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1F ZINC001254534713 1062165615 /nfs/dbraw/zinc/16/56/15/1062165615.db2.gz BWSWAEGDMKHVOI-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC001254539111 1062168339 /nfs/dbraw/zinc/16/83/39/1062168339.db2.gz BVACGULEZKFQDK-CVEARBPZSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC2CCC2)CC1 ZINC001254545723 1062169565 /nfs/dbraw/zinc/16/95/65/1062169565.db2.gz OOJIUOXKKBXGPK-AWEZNQCLSA-N 1 0 302.418 4.086 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C2CC2)c1 ZINC001254545256 1062170240 /nfs/dbraw/zinc/17/02/40/1062170240.db2.gz BYYNJXUUTGLTPU-AWEZNQCLSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001254548958 1062172679 /nfs/dbraw/zinc/17/26/79/1062172679.db2.gz OIOPLCKCNMQDLW-AYOQOUSVSA-N 1 0 324.424 4.452 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1ccccc1F ZINC001254549740 1062173361 /nfs/dbraw/zinc/17/33/61/1062173361.db2.gz YNASTERVHGMOIR-ZDUSSCGKSA-N 1 0 316.376 4.190 20 5 DIBDRO Cc1cccc(C2([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001254548710 1062173407 /nfs/dbraw/zinc/17/34/07/1062173407.db2.gz LAUUJBHAMBEBHE-HNNXBMFYSA-N 1 0 310.397 4.113 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC2)CC1 ZINC001254553533 1062173978 /nfs/dbraw/zinc/17/39/78/1062173978.db2.gz WXFLUWLIFHHRMM-OAHLLOKOSA-N 1 0 302.418 4.182 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001254558461 1062175831 /nfs/dbraw/zinc/17/58/31/1062175831.db2.gz AWECOGINYWJEST-QFBILLFUSA-N 1 0 324.424 4.405 20 5 DIBDRO CC[N@H+](Cc1ccc(F)cc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254558317 1062176434 /nfs/dbraw/zinc/17/64/34/1062176434.db2.gz FMFHSDIKGIBKAC-CQSZACIVSA-N 1 0 316.376 4.187 20 5 DIBDRO Cc1cccc(CC[N@@H+](C)[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254559890 1062179764 /nfs/dbraw/zinc/17/97/64/1062179764.db2.gz ODGKCFLJJOMYNL-MRXNPFEDSA-N 1 0 312.413 4.009 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001254564696 1062180246 /nfs/dbraw/zinc/18/02/46/1062180246.db2.gz MKHCFLYIPILYSN-BFYDXBDKSA-N 1 0 302.418 4.038 20 5 DIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC001459520839 1062180433 /nfs/dbraw/zinc/18/04/33/1062180433.db2.gz ANTCZQLHPWANDT-IRXDYDNUSA-N 1 0 320.433 4.010 20 5 DIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC001459520850 1062180717 /nfs/dbraw/zinc/18/07/17/1062180717.db2.gz ANTCZQLHPWANDT-SJORKVTESA-N 1 0 320.433 4.010 20 5 DIBDRO CCC[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254573769 1062186608 /nfs/dbraw/zinc/18/66/08/1062186608.db2.gz BYQJEDKJESSGHP-PKOBYXMFSA-N 1 0 310.397 4.193 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001254575466 1062187534 /nfs/dbraw/zinc/18/75/34/1062187534.db2.gz QUYLQWBTBJJVHQ-ZQNRLITLSA-N 1 0 314.429 4.011 20 5 DIBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC001254571738 1062187632 /nfs/dbraw/zinc/18/76/32/1062187632.db2.gz BBLCKHVHNBMQTJ-ZBEGNZNMSA-N 1 0 316.788 4.066 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001254582755 1062189911 /nfs/dbraw/zinc/18/99/11/1062189911.db2.gz XBLDMMMXPBAQOH-KSSFIOAISA-N 1 0 310.397 4.030 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001254590063 1062192489 /nfs/dbraw/zinc/19/24/89/1062192489.db2.gz UHWVHVNYVSVRBI-PBHICJAKSA-N 1 0 310.397 4.030 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCCc3ccccc31)C2 ZINC001254590024 1062193106 /nfs/dbraw/zinc/19/31/06/1062193106.db2.gz SSZKDIKOWORWAA-YLJYHZDGSA-N 1 0 322.408 4.119 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@H]1c1ccccc1)C2 ZINC001254597268 1062194631 /nfs/dbraw/zinc/19/46/31/1062194631.db2.gz GQMNDHXELBYCLV-WOJBJXKFSA-N 1 0 322.408 4.289 20 5 DIBDRO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254598637 1062195738 /nfs/dbraw/zinc/19/57/38/1062195738.db2.gz ITKLQHDZPQMYHS-WOJBJXKFSA-N 1 0 322.408 4.208 20 5 DIBDRO CC1(C)CCC(C)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001474582152 1062291589 /nfs/dbraw/zinc/29/15/89/1062291589.db2.gz FMUCDYGHBKWDNH-UHFFFAOYSA-N 1 0 308.397 4.430 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001474694895 1062423320 /nfs/dbraw/zinc/42/33/20/1062423320.db2.gz BOHFUIHKDRXJOD-VXGBXAGGSA-N 1 0 320.339 4.327 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC001474696547 1062423903 /nfs/dbraw/zinc/42/39/03/1062423903.db2.gz LSEGBOXEYXZSJT-CQSZACIVSA-N 1 0 310.397 4.331 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CCC(F)(F)CC2)C2CC2)cc1 ZINC001459883950 1062469770 /nfs/dbraw/zinc/46/97/70/1062469770.db2.gz MRKIMGWUMHGWMT-UHFFFAOYSA-N 1 0 324.371 4.385 20 5 DIBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC001459881919 1062469937 /nfs/dbraw/zinc/46/99/37/1062469937.db2.gz VLROZVPIJSWWPX-SFHVURJKSA-N 1 0 314.385 4.023 20 5 DIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459904745 1062487123 /nfs/dbraw/zinc/48/71/23/1062487123.db2.gz NZFJKFKICBCZJG-DOMZBBRYSA-N 1 0 324.396 4.191 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC001459942704 1062511576 /nfs/dbraw/zinc/51/15/76/1062511576.db2.gz LGBNDAVNVXUEHO-HNNXBMFYSA-N 1 0 310.397 4.331 20 5 DIBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001459986590 1062548409 /nfs/dbraw/zinc/54/84/09/1062548409.db2.gz SYUZWWASOYIBTR-CJNGLKHVSA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1cc(Cl)ccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001460009054 1062567102 /nfs/dbraw/zinc/56/71/02/1062567102.db2.gz YSCZSKBWPWVFIM-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO O=[N+]([O-])c1ccc(CN2CCC=C(c3ccccc3)C2)c(F)c1 ZINC001460079580 1062620718 /nfs/dbraw/zinc/62/07/18/1062620718.db2.gz BYAQWLRGMDLKQZ-UHFFFAOYSA-N 1 0 312.344 4.023 20 5 DIBDRO CC(C)(C)SCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460134948 1062655076 /nfs/dbraw/zinc/65/50/76/1062655076.db2.gz ZWAIWKOCWLZGQD-HNNXBMFYSA-N 1 0 322.474 4.306 20 5 DIBDRO Cc1cccc2c1CC(C)(C)[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001460144760 1062661030 /nfs/dbraw/zinc/66/10/30/1062661030.db2.gz YOMNHSWLMDTFDH-UHFFFAOYSA-N 1 0 310.397 4.240 20 5 DIBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC3(CCCC3)CC2)cc1 ZINC001460145771 1062662827 /nfs/dbraw/zinc/66/28/27/1062662827.db2.gz RMQQIXXXGKAUHW-UHFFFAOYSA-N 1 0 318.417 4.020 20 5 DIBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001460187068 1062687949 /nfs/dbraw/zinc/68/79/49/1062687949.db2.gz WZBVIVQFGFURNY-HUUCEWRRSA-N 1 0 320.433 4.120 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC001460490121 1062880087 /nfs/dbraw/zinc/88/00/87/1062880087.db2.gz ZBVJXWGCQXPGIK-CQSZACIVSA-N 1 0 306.381 4.279 20 5 DIBDRO Cc1cc(SCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])s1 ZINC001472771367 1063221247 /nfs/dbraw/zinc/22/12/47/1063221247.db2.gz WMRXWBAVJBAGHG-UHFFFAOYSA-N 1 0 322.455 4.189 20 5 DIBDRO CC1(C)CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001461262320 1063375389 /nfs/dbraw/zinc/37/53/89/1063375389.db2.gz FECRNHPYCQSZFI-MRXNPFEDSA-N 1 0 304.434 4.476 20 5 DIBDRO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CCCCC1 ZINC001473118617 1063423771 /nfs/dbraw/zinc/42/37/71/1063423771.db2.gz OCXAQUBZDLFWGP-UHFFFAOYSA-N 1 0 320.433 4.396 20 5 DIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H](C)C(C)C ZINC001473129692 1063438451 /nfs/dbraw/zinc/43/84/51/1063438451.db2.gz GZYTYJBIAFGZDY-CQSZACIVSA-N 1 0 308.422 4.248 20 5 DIBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC001473178527 1063486932 /nfs/dbraw/zinc/48/69/32/1063486932.db2.gz HQFFQNODCFESGM-CZUORRHYSA-N 1 0 306.406 4.004 20 5 DIBDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001461468614 1063527727 /nfs/dbraw/zinc/52/77/27/1063527727.db2.gz ZQWLVVGCLQWPQJ-KGLIPLIRSA-N 1 0 314.385 4.381 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC001461607630 1063609539 /nfs/dbraw/zinc/60/95/39/1063609539.db2.gz SZPOCUYQPRDTLA-GFCCVEGCSA-N 1 0 302.374 4.379 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CC=CC2)s1 ZINC001461646099 1063632123 /nfs/dbraw/zinc/63/21/23/1063632123.db2.gz IRILGCITGVBDPZ-UHFFFAOYSA-N 1 0 314.410 4.379 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ccsc1 ZINC001461833140 1063741304 /nfs/dbraw/zinc/74/13/04/1063741304.db2.gz XHOFZUWLTILTCO-GXDHUFHOSA-N 1 0 316.426 4.282 20 5 DIBDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001461911461 1063794173 /nfs/dbraw/zinc/79/41/73/1063794173.db2.gz HOBDJYBRVURUIF-NSHDSACASA-N 1 0 324.833 4.373 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC001461920345 1063800111 /nfs/dbraw/zinc/80/01/11/1063800111.db2.gz KLNKJXWFMJFXTA-CQSZACIVSA-N 1 0 310.397 4.158 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC001461996501 1063867931 /nfs/dbraw/zinc/86/79/31/1063867931.db2.gz RYMKZQWGKVREIE-MRXNPFEDSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000491211742 1063914073 /nfs/dbraw/zinc/91/40/73/1063914073.db2.gz FLZQKGXIRAULOG-CQSZACIVSA-N 1 0 310.397 4.324 20 5 DIBDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603873230 1064007953 /nfs/dbraw/zinc/00/79/53/1064007953.db2.gz BXJBABZPZADPKI-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001307111072 1065267512 /nfs/dbraw/zinc/26/75/12/1065267512.db2.gz IZCGWVOCMQTBSZ-KBXCAEBGSA-N 1 0 313.401 4.007 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001307420730 1065383607 /nfs/dbraw/zinc/38/36/07/1065383607.db2.gz QMHDIIVKEUGJLL-QGZVFWFLSA-N 1 0 314.360 4.379 20 5 DIBDRO CC(C)[N@H+](CCSC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001307430581 1065390298 /nfs/dbraw/zinc/39/02/98/1065390298.db2.gz GACVNPOMLHBQQG-UHFFFAOYSA-N 1 0 322.352 4.058 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCc1ccccc1F ZINC001307457350 1065410403 /nfs/dbraw/zinc/41/04/03/1065410403.db2.gz DPIVOWNBZXRRFO-CQSZACIVSA-N 1 0 316.376 4.278 20 5 DIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC001307458338 1065412956 /nfs/dbraw/zinc/41/29/56/1065412956.db2.gz HKRCSZMRLMZQHU-UHFFFAOYSA-N 1 0 318.417 4.020 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC001307458870 1065413664 /nfs/dbraw/zinc/41/36/64/1065413664.db2.gz XICMGGXCMHQDBZ-ZIAGYGMSSA-N 1 0 306.406 4.145 20 5 DIBDRO CC(C)C[C@H](C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307498593 1065442449 /nfs/dbraw/zinc/44/24/49/1065442449.db2.gz UPAOUEPAQSENCA-HNNXBMFYSA-N 1 0 320.433 4.120 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCC(C)C)CC1 ZINC001307532610 1065467570 /nfs/dbraw/zinc/46/75/70/1065467570.db2.gz CBKLLFYQLOLSOX-UHFFFAOYSA-N 1 0 320.433 4.252 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC001307573319 1065489089 /nfs/dbraw/zinc/48/90/89/1065489089.db2.gz FZIPXOIGXFSJRM-SFHVURJKSA-N 1 0 312.413 4.438 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001307581317 1065496209 /nfs/dbraw/zinc/49/62/09/1065496209.db2.gz PTGOYMFYPGAYLZ-OAHLLOKOSA-N 1 0 306.406 4.018 20 5 DIBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC001307675237 1065555529 /nfs/dbraw/zinc/55/55/29/1065555529.db2.gz MKTUFDDXCRIFNH-OAHLLOKOSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1ccc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC001307675235 1065557366 /nfs/dbraw/zinc/55/73/66/1065557366.db2.gz MKTUFDDXCRIFNH-HNNXBMFYSA-N 1 0 314.360 4.032 20 5 DIBDRO CCC1(CC)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001307682724 1065558873 /nfs/dbraw/zinc/55/88/73/1065558873.db2.gz BLCMZCUEMLRPPR-UHFFFAOYSA-N 1 0 320.433 4.266 20 5 DIBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307704624 1065574799 /nfs/dbraw/zinc/57/47/99/1065574799.db2.gz DKYQOMAVLVENCP-BONVTDFDSA-N 1 0 312.360 4.177 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCC2)CC1 ZINC001307750244 1065605043 /nfs/dbraw/zinc/60/50/43/1065605043.db2.gz RREVGAZZVJSPQZ-UHFFFAOYSA-N 1 0 318.417 4.148 20 5 DIBDRO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001307761205 1065609965 /nfs/dbraw/zinc/60/99/65/1065609965.db2.gz QGQFLFLACNCGQS-HNNXBMFYSA-N 1 0 324.424 4.319 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001307800785 1065627384 /nfs/dbraw/zinc/62/73/84/1065627384.db2.gz GDKNLTIXWQDOIQ-VCBZYWHSSA-N 1 0 310.397 4.361 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC(C)(C)C1 ZINC001307830488 1065641577 /nfs/dbraw/zinc/64/15/77/1065641577.db2.gz KHLPEEJVYFDJJU-UHFFFAOYSA-N 1 0 306.406 4.002 20 5 DIBDRO COc1ccc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC001307910483 1065677768 /nfs/dbraw/zinc/67/77/68/1065677768.db2.gz LEIBYMGCZFPJAA-MRXNPFEDSA-N 1 0 318.417 4.006 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@H+](CCC2CC2)CC2CC2)ccc1Cl ZINC001307953889 1065697192 /nfs/dbraw/zinc/69/71/92/1065697192.db2.gz JVSXQVBRKMNVDV-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO CCCC1(CCC)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308050225 1065742513 /nfs/dbraw/zinc/74/25/13/1065742513.db2.gz RERQWBUMSIAHNS-KRWDZBQOSA-N 1 0 320.433 4.063 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C)Cc2ccccc2C1 ZINC001308328760 1065916298 /nfs/dbraw/zinc/91/62/98/1065916298.db2.gz FTUBKDXCHXCPIB-UHFFFAOYSA-N 1 0 324.424 4.106 20 5 DIBDRO CCC(CC)[C@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC001308339769 1065924916 /nfs/dbraw/zinc/92/49/16/1065924916.db2.gz KKXNRTGGZQILCN-SFHVURJKSA-N 1 0 322.449 4.143 20 5 DIBDRO CS[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001308368962 1065944903 /nfs/dbraw/zinc/94/49/03/1065944903.db2.gz DCOCXUKOIQEAKC-OVHOFWQVSA-N 1 0 322.474 4.365 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC(F)CC1 ZINC001308453478 1065998426 /nfs/dbraw/zinc/99/84/26/1065998426.db2.gz LCMXZZFZYWZHSQ-LCYFTJDESA-N 1 0 306.381 4.116 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001308536472 1066054652 /nfs/dbraw/zinc/05/46/52/1066054652.db2.gz ZAIOBFUNGYHZAQ-CYBMUJFWSA-N 1 0 318.804 4.450 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCC1CCCC1 ZINC001308638136 1066131074 /nfs/dbraw/zinc/13/10/74/1066131074.db2.gz UPBWSEVNZOLTAL-CYBMUJFWSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC001308851753 1066330829 /nfs/dbraw/zinc/33/08/29/1066330829.db2.gz MCLKPPNYNBNZEL-VNQPRFMTSA-N 1 0 304.434 4.330 20 5 DIBDRO C[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001308937695 1066408571 /nfs/dbraw/zinc/40/85/71/1066408571.db2.gz VMKXACWYOJNTQU-LNSITVRQSA-N 1 0 308.447 4.166 20 5 DIBDRO C[N+](C)(C)CCO[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000003176037 180988624 /nfs/dbraw/zinc/98/86/24/180988624.db2.gz ROMWALNJCQRFBE-GOSISDBHSA-N 1 0 304.841 4.152 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000081181386 192233590 /nfs/dbraw/zinc/23/35/90/192233590.db2.gz XUTOFMVDKLSAAF-APPDUMDISA-N 1 0 300.333 4.072 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000273016159 130082532 /nfs/dbraw/zinc/08/25/32/130082532.db2.gz ZTFXPLQLOSWNPE-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO CCC[C@@H]([NH2+]CCC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000340441228 131775176 /nfs/dbraw/zinc/77/51/76/131775176.db2.gz VOHGXVPYYCHXQF-QGZVFWFLSA-N 1 0 320.433 4.232 20 5 DIBDRO CCC[C@H]([NH2+]Cc1sc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000119854740 132137975 /nfs/dbraw/zinc/13/79/75/132137975.db2.gz YYDNCYYLULFPHF-HNNXBMFYSA-N 1 0 319.430 4.299 20 5 DIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000121873934 132160671 /nfs/dbraw/zinc/16/06/71/132160671.db2.gz JCWXVTYTXWPDIA-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO CCC(CC)[C@@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000537946151 331506759 /nfs/dbraw/zinc/50/67/59/331506759.db2.gz QSYUXMPFQAIJNF-SUMWQHHRSA-N 1 0 308.422 4.087 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000537948161 331535481 /nfs/dbraw/zinc/53/54/81/331535481.db2.gz ZUIWDACSCRPKLD-UGSOOPFHSA-N 1 0 311.385 4.100 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000213576563 331645245 /nfs/dbraw/zinc/64/52/45/331645245.db2.gz FDGGUHQJIWIRHJ-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000556921039 331754584 /nfs/dbraw/zinc/75/45/84/331754584.db2.gz LTUWOLNUNIOVNI-OLZOCXBDSA-N 1 0 324.384 4.191 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000317413543 331773141 /nfs/dbraw/zinc/77/31/41/331773141.db2.gz XUMWCRIGEJHJSA-KRWDZBQOSA-N 1 0 302.349 4.017 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](c2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000518272552 332003914 /nfs/dbraw/zinc/00/39/14/332003914.db2.gz KIMJFZSFRWVWJP-INIZCTEOSA-N 1 0 302.399 4.206 20 5 DIBDRO CC[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000409453422 332032840 /nfs/dbraw/zinc/03/28/40/332032840.db2.gz OGDCFBUHAUOUKQ-AWEZNQCLSA-N 1 0 313.401 4.251 20 5 DIBDRO CCCCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000409458154 332034008 /nfs/dbraw/zinc/03/40/08/332034008.db2.gz CVAUPWKBYMOZFT-UHFFFAOYSA-N 1 0 318.373 4.143 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000518474393 332061473 /nfs/dbraw/zinc/06/14/73/332061473.db2.gz LJAPKDVKRHWXME-ZDUSSCGKSA-N 1 0 302.349 4.317 20 5 DIBDRO CS[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180996908 332172859 /nfs/dbraw/zinc/17/28/59/332172859.db2.gz ISFRQTICVBYSRE-GUYCJALGSA-N 1 0 316.426 4.025 20 5 DIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000181278303 332190068 /nfs/dbraw/zinc/19/00/68/332190068.db2.gz WDXMAYWFNPZESL-OWQGQXMQSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000049963700 332331367 /nfs/dbraw/zinc/33/13/67/332331367.db2.gz KHDOXCFQWYJOMG-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO COCC(C)(C)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562056720 332539529 /nfs/dbraw/zinc/53/95/29/332539529.db2.gz UMCMUWMFNQUCQJ-AWEZNQCLSA-N 1 0 308.422 4.007 20 5 DIBDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000317892397 332542231 /nfs/dbraw/zinc/54/22/31/332542231.db2.gz JQHCJCMCYNSCEY-CYBMUJFWSA-N 1 0 318.804 4.012 20 5 DIBDRO CS[C@H]1CC[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302140102 332982679 /nfs/dbraw/zinc/98/26/79/332982679.db2.gz FDEDVUKNKGERIQ-YPMHNXCESA-N 1 0 317.414 4.147 20 5 DIBDRO CS[C@@H]1CC[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302140101 332982742 /nfs/dbraw/zinc/98/27/42/332982742.db2.gz FDEDVUKNKGERIQ-WCQYABFASA-N 1 0 317.414 4.147 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000580249305 333040900 /nfs/dbraw/zinc/04/09/00/333040900.db2.gz BYAAFYFRXWCKFR-SNVBAGLBSA-N 1 0 308.428 4.229 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000111158727 333059522 /nfs/dbraw/zinc/05/95/22/333059522.db2.gz NSPPLQHOKKXIOK-MRXNPFEDSA-N 1 0 302.761 4.025 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000499608224 333287348 /nfs/dbraw/zinc/28/73/48/333287348.db2.gz UTEGHRUKKDLBLX-OAHLLOKOSA-N 1 0 320.433 4.151 20 5 DIBDRO CC[C@H]([NH2+]CCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000390570243 333301869 /nfs/dbraw/zinc/30/18/69/333301869.db2.gz OICMLASUBMUKKS-SFHVURJKSA-N 1 0 314.385 4.105 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000194920111 333317390 /nfs/dbraw/zinc/31/73/90/333317390.db2.gz ATWSEIGHXCBJCU-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000186757446 333377624 /nfs/dbraw/zinc/37/76/24/333377624.db2.gz SPIJPMRUGKKYGD-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000390841298 333398641 /nfs/dbraw/zinc/39/86/41/333398641.db2.gz CJEOMDRYJRRURP-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO Cc1ccccc1C1CC([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000391051701 333417746 /nfs/dbraw/zinc/41/77/46/333417746.db2.gz DUHNKGBJBIBBNU-UHFFFAOYSA-N 1 0 310.397 4.247 20 5 DIBDRO C[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000320118961 333426146 /nfs/dbraw/zinc/42/61/46/333426146.db2.gz NLEYZCYRYGVXAJ-ZDUSSCGKSA-N 1 0 302.349 4.017 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000040675967 333534311 /nfs/dbraw/zinc/53/43/11/333534311.db2.gz KDKWZOZNQNLARI-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO CCc1ccc([C@@H]([NH2+]CC[C@@H](C)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000563670338 333653895 /nfs/dbraw/zinc/65/38/95/333653895.db2.gz IXGMPTKKNXBQEU-PXAZEXFGSA-N 1 0 320.364 4.177 20 5 DIBDRO CC(C)c1ccc(CNc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414804032 334103571 /nfs/dbraw/zinc/10/35/71/334103571.db2.gz KEIQXFYVDQVRAR-ZDUSSCGKSA-N 1 0 313.401 4.350 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1N(C)C ZINC000297396275 334240987 /nfs/dbraw/zinc/24/09/87/334240987.db2.gz SDQWRHDFLSNGLV-UONOGXRCSA-N 1 0 313.401 4.073 20 5 DIBDRO COCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341572577 334453582 /nfs/dbraw/zinc/45/35/82/334453582.db2.gz JWHAQDWFMGGONR-KSSFIOAISA-N 1 0 314.385 4.023 20 5 DIBDRO COCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341572575 334453669 /nfs/dbraw/zinc/45/36/69/334453669.db2.gz JWHAQDWFMGGONR-KBXCAEBGSA-N 1 0 314.385 4.023 20 5 DIBDRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000051100072 334735823 /nfs/dbraw/zinc/73/58/23/334735823.db2.gz BEDMVXRHUOBZNB-MEDUHNTESA-N 1 0 302.399 4.458 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2occc21 ZINC000344473625 335251808 /nfs/dbraw/zinc/25/18/08/335251808.db2.gz FVUIJZWTNQYWRJ-CZUORRHYSA-N 1 0 314.385 4.176 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000532212489 335919034 /nfs/dbraw/zinc/91/90/34/335919034.db2.gz PLYGLOKFDWWPBF-OLZOCXBDSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000389322938 336023844 /nfs/dbraw/zinc/02/38/44/336023844.db2.gz ORIOJVILPUGMCC-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192543741 336073575 /nfs/dbraw/zinc/07/35/75/336073575.db2.gz HLJTVVZXXCVJIC-KBPBESRZSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000352799094 336238225 /nfs/dbraw/zinc/23/82/25/336238225.db2.gz WHHYKZUYJWTPCD-MRXNPFEDSA-N 1 0 302.349 4.017 20 5 DIBDRO Cc1cccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000532492253 336250500 /nfs/dbraw/zinc/25/05/00/336250500.db2.gz OLHXYDINFGKZBC-IBGZPJMESA-N 1 0 324.424 4.057 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000532485273 336251577 /nfs/dbraw/zinc/25/15/77/336251577.db2.gz HDGDUJWOBWHMIB-KRWDZBQOSA-N 1 0 320.339 4.156 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000580372361 336261471 /nfs/dbraw/zinc/26/14/71/336261471.db2.gz FAUIILATAGTNER-TZMCWYRMSA-N 1 0 316.323 4.053 20 5 DIBDRO C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000325091549 336278846 /nfs/dbraw/zinc/27/88/46/336278846.db2.gz LSJQLMBLZVAGOD-OAHLLOKOSA-N 1 0 323.396 4.290 20 5 DIBDRO Cc1cc(NC2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301483562 336309695 /nfs/dbraw/zinc/30/96/95/336309695.db2.gz UPOXZEBTEZTREZ-UHFFFAOYSA-N 1 0 317.433 4.112 20 5 DIBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1nccn1CC(C)C ZINC000302698055 336365404 /nfs/dbraw/zinc/36/54/04/336365404.db2.gz UBNIASXCUGOCPX-UHFFFAOYSA-N 1 0 322.796 4.021 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000105036094 336397071 /nfs/dbraw/zinc/39/70/71/336397071.db2.gz MWKXANISZHMJCB-LLVKDONJSA-N 1 0 306.312 4.066 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000358331459 336624536 /nfs/dbraw/zinc/62/45/36/336624536.db2.gz APHLNCWZJQWDSZ-KRWDZBQOSA-N 1 0 314.360 4.210 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000361509819 336760134 /nfs/dbraw/zinc/76/01/34/336760134.db2.gz DWIIUKUKSRMYJC-CVEARBPZSA-N 1 0 314.410 4.483 20 5 DIBDRO CCO[C@H](CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000361803196 336773308 /nfs/dbraw/zinc/77/33/08/336773308.db2.gz DOWXOBJZRDMQND-DLBZAZTESA-N 1 0 308.422 4.087 20 5 DIBDRO CC[C@H]([NH2+]CC1(CCOC)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000122405282 337008023 /nfs/dbraw/zinc/00/80/23/337008023.db2.gz NWXPNXXAXSTHDT-KRWDZBQOSA-N 1 0 320.433 4.232 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](CC)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000181776352 337184618 /nfs/dbraw/zinc/18/46/18/337184618.db2.gz VWOMDVIIMSKVPW-CVEARBPZSA-N 1 0 317.389 4.392 20 5 DIBDRO CC[C@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000181776333 337184647 /nfs/dbraw/zinc/18/46/47/337184647.db2.gz VWOMDVIIMSKVPW-HOTGVXAUSA-N 1 0 317.389 4.392 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000321291050 337254810 /nfs/dbraw/zinc/25/48/10/337254810.db2.gz OOCVZHCBQNKGBF-AWEZNQCLSA-N 1 0 316.376 4.244 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000583180074 337256806 /nfs/dbraw/zinc/25/68/06/337256806.db2.gz QJKRTTGZZBJOHN-CQSZACIVSA-N 1 0 316.323 4.138 20 5 DIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000189368357 337278888 /nfs/dbraw/zinc/27/88/88/337278888.db2.gz KFZLUJBDXPUABE-CXAGYDPISA-N 1 0 312.369 4.078 20 5 DIBDRO CCCC[C@@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000584439055 337325608 /nfs/dbraw/zinc/32/56/08/337325608.db2.gz AKSCHXDGHHXPSB-CYBMUJFWSA-N 1 0 317.389 4.260 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CC(F)F)c2ccccc2)cc1 ZINC000420990442 337517807 /nfs/dbraw/zinc/51/78/07/337517807.db2.gz FQOONEBCAPFLAB-INIZCTEOSA-N 1 0 320.339 4.123 20 5 DIBDRO CC(C)([NH2+]Cc1cccc(C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000421360174 337532037 /nfs/dbraw/zinc/53/20/37/337532037.db2.gz YPUCIKDNHRGQPF-UHFFFAOYSA-N 1 0 310.397 4.497 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000289281160 337602631 /nfs/dbraw/zinc/60/26/31/337602631.db2.gz QDWWDBAIKRXRPS-GOSISDBHSA-N 1 0 321.380 4.243 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccs2)c2cc([N+](=O)[O-])ccc21 ZINC000433180563 337701695 /nfs/dbraw/zinc/70/16/95/337701695.db2.gz WBDWHICPKHHWEY-OAHLLOKOSA-N 1 0 302.399 4.169 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000536911398 337847764 /nfs/dbraw/zinc/84/77/64/337847764.db2.gz VLVNCRBLMFQNAO-HDMKZQKVSA-N 1 0 320.433 4.005 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000536911400 337847818 /nfs/dbraw/zinc/84/78/18/337847818.db2.gz VLVNCRBLMFQNAO-RLFYNMQTSA-N 1 0 320.433 4.005 20 5 DIBDRO COc1cc(C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000119838371 337864980 /nfs/dbraw/zinc/86/49/80/337864980.db2.gz NGSXBDOPKACTTO-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@H]([NH2+]CCSc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000537076380 337885091 /nfs/dbraw/zinc/88/50/91/337885091.db2.gz BTCPUDQBLSNYTJ-LBPRGKRZSA-N 1 0 320.389 4.177 20 5 DIBDRO CC(C)([NH2+]CCCc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429256476 338075123 /nfs/dbraw/zinc/07/51/23/338075123.db2.gz QCFPMYBRHQWPEB-UHFFFAOYSA-N 1 0 316.376 4.191 20 5 DIBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000429671210 338086941 /nfs/dbraw/zinc/08/69/41/338086941.db2.gz MVENVJZATLMSNT-HOCLYGCPSA-N 1 0 308.447 4.057 20 5 DIBDRO C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000432248410 338150635 /nfs/dbraw/zinc/15/06/35/338150635.db2.gz ZKXYKXJQSQYYLA-TUBUQKNSSA-N 1 0 320.433 4.229 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]CCc2ccsc2)c2cc([N+](=O)[O-])ccc21 ZINC000433152653 338183142 /nfs/dbraw/zinc/18/31/42/338183142.db2.gz SLMGIEVQRHFSIP-MRXNPFEDSA-N 1 0 316.426 4.211 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433164537 338183633 /nfs/dbraw/zinc/18/36/33/338183633.db2.gz RNBDCQLUCIMYHF-MRXNPFEDSA-N 1 0 316.426 4.477 20 5 DIBDRO CSCCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433261209 338188490 /nfs/dbraw/zinc/18/84/90/338188490.db2.gz MZWLEGWHVUEGDR-HNNXBMFYSA-N 1 0 308.447 4.050 20 5 DIBDRO CC1(C)C[C@H]([NH2+]CCCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433281434 338189186 /nfs/dbraw/zinc/18/91/86/338189186.db2.gz BZQBHCBVDSQSJM-ZDUSSCGKSA-N 1 0 316.323 4.249 20 5 DIBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285086 338189301 /nfs/dbraw/zinc/18/93/01/338189301.db2.gz LBJSJJCAHRVYJN-BLLLJJGKSA-N 1 0 320.433 4.110 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)cs1 ZINC000435734302 338246770 /nfs/dbraw/zinc/24/67/70/338246770.db2.gz ZAAAPORLJDFFGT-MQMHXKEQSA-N 1 0 322.817 4.346 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000436408191 338271270 /nfs/dbraw/zinc/27/12/70/338271270.db2.gz KXICISKDJWBCGU-ROUUACIJSA-N 1 0 310.397 4.063 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000437113342 338301573 /nfs/dbraw/zinc/30/15/73/338301573.db2.gz WRGKMDXPGFNTFQ-ZWNOBZJWSA-N 1 0 304.312 4.222 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000440612666 338392371 /nfs/dbraw/zinc/39/23/71/338392371.db2.gz NERPWVRPTYBHAS-ZDUSSCGKSA-N 1 0 316.426 4.210 20 5 DIBDRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447527618 338554031 /nfs/dbraw/zinc/55/40/31/338554031.db2.gz FNTRQHVPIYHATC-SJCJKPOMSA-N 1 0 316.426 4.255 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2ccccc21 ZINC000447945103 338572397 /nfs/dbraw/zinc/57/23/97/338572397.db2.gz VCEQKDCGTSTOHG-RNUYOQPASA-N 1 0 308.381 4.275 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000449136970 338596310 /nfs/dbraw/zinc/59/63/10/338596310.db2.gz WQEDJQKCLHEOBP-RISCZKNCSA-N 1 0 319.430 4.032 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc(C)c1F)c1cccc([N+](=O)[O-])c1 ZINC000449172843 338599068 /nfs/dbraw/zinc/59/90/68/338599068.db2.gz MNTCNEYPLLEVQI-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449284813 338609398 /nfs/dbraw/zinc/60/93/98/338609398.db2.gz OXAYWDDWQQFNDF-NEPJUHHUSA-N 1 0 318.339 4.237 20 5 DIBDRO CC(C)c1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000449347462 338615672 /nfs/dbraw/zinc/61/56/72/338615672.db2.gz HPYUVCQNHCBQCF-NSHDSACASA-N 1 0 305.403 4.026 20 5 DIBDRO CC1(F)CC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000453233452 338811587 /nfs/dbraw/zinc/81/15/87/338811587.db2.gz HJGTZHKFMUWPIO-IIIMJFFVSA-N 1 0 314.360 4.164 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)cs2)cc1[N+](=O)[O-] ZINC000453318031 338823878 /nfs/dbraw/zinc/82/38/78/338823878.db2.gz MAYGUEYMUYXBRC-LBPRGKRZSA-N 1 0 320.414 4.214 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000453318478 338823963 /nfs/dbraw/zinc/82/39/63/338823963.db2.gz MEBZCPFOUOBPIS-RLFYNMQTSA-N 1 0 320.433 4.005 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000462725348 339084991 /nfs/dbraw/zinc/08/49/91/339084991.db2.gz GMKKCCHNKAOUMG-SFHVURJKSA-N 1 0 312.413 4.441 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000462725347 339085009 /nfs/dbraw/zinc/08/50/09/339085009.db2.gz GMKKCCHNKAOUMG-GOSISDBHSA-N 1 0 312.413 4.441 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000464725126 339150129 /nfs/dbraw/zinc/15/01/29/339150129.db2.gz MCPAXQAKZQHKKU-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000464725125 339150162 /nfs/dbraw/zinc/15/01/62/339150162.db2.gz MCPAXQAKZQHKKU-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000464836432 339156548 /nfs/dbraw/zinc/15/65/48/339156548.db2.gz RWNIUTLYLCAHQN-DYVFJYSZSA-N 1 0 314.385 4.469 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000467209577 339228328 /nfs/dbraw/zinc/22/83/28/339228328.db2.gz XPCFSGZUNYIVHL-WMLDXEAASA-N 1 0 318.417 4.127 20 5 DIBDRO CSCCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000467557121 339242424 /nfs/dbraw/zinc/24/24/24/339242424.db2.gz ZSSZOVLGUPKJAZ-UHFFFAOYSA-N 1 0 320.414 4.040 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000467857674 339247755 /nfs/dbraw/zinc/24/77/55/339247755.db2.gz ANADOIQLFBWZFN-ZDUSSCGKSA-N 1 0 316.426 4.210 20 5 DIBDRO Cc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000467861606 339247943 /nfs/dbraw/zinc/24/79/43/339247943.db2.gz HTJFHTFIHGXCTC-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000467990189 339250565 /nfs/dbraw/zinc/25/05/65/339250565.db2.gz IXHUYAXLLVOAFO-OAHLLOKOSA-N 1 0 304.415 4.330 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000467997354 339250750 /nfs/dbraw/zinc/25/07/50/339250750.db2.gz ALWRDMKSMTVXKN-ROUUACIJSA-N 1 0 310.397 4.063 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1ccccc1 ZINC000468616030 339267177 /nfs/dbraw/zinc/26/71/77/339267177.db2.gz VUVFSGVWRFFCPL-SFKKXYGYSA-N 1 0 310.397 4.391 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(F)ccc1F ZINC000468643330 339267756 /nfs/dbraw/zinc/26/77/56/339267756.db2.gz PAYFZBHGFJDEFS-GHXNOFRVSA-N 1 0 318.323 4.066 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(F)ccc1F ZINC000468643331 339267813 /nfs/dbraw/zinc/26/78/13/339267813.db2.gz PAYFZBHGFJDEFS-KPKJPENVSA-N 1 0 318.323 4.066 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000468744368 339269692 /nfs/dbraw/zinc/26/96/92/339269692.db2.gz QXCVHEHMHYSFBW-UNJUUPHPSA-N 1 0 310.344 4.166 20 5 DIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000469794234 339300453 /nfs/dbraw/zinc/30/04/53/339300453.db2.gz OHTVLQQDILGETK-JGGQBBKZSA-N 1 0 308.447 4.310 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)cccc1[N+](=O)[O-] ZINC000469996792 339307604 /nfs/dbraw/zinc/30/76/04/339307604.db2.gz RFHSMLUWYHRRHS-ZDUSSCGKSA-N 1 0 316.323 4.066 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000470170002 339312589 /nfs/dbraw/zinc/31/25/89/339312589.db2.gz NEDRBTVCFFBPKG-UELRPHRMSA-N 1 0 300.358 4.284 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1cccs1 ZINC000470171163 339312640 /nfs/dbraw/zinc/31/26/40/339312640.db2.gz GGPXXBLCWLFPJA-KAMYIIQDSA-N 1 0 316.426 4.234 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccs1 ZINC000470171002 339312644 /nfs/dbraw/zinc/31/26/44/339312644.db2.gz DHMOONKZSSUEPK-UKTHLTGXSA-N 1 0 302.399 4.192 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000470172980 339312712 /nfs/dbraw/zinc/31/27/12/339312712.db2.gz GKTJZNGCBASIOQ-LBKOFNPBSA-N 1 0 308.381 4.445 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccoc1C ZINC000470176847 339313058 /nfs/dbraw/zinc/31/30/58/339313058.db2.gz NOLKEVLRSUFYEK-LCYFTJDESA-N 1 0 300.358 4.032 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000470180784 339313166 /nfs/dbraw/zinc/31/31/66/339313166.db2.gz SQWOHYRYKLSYSB-JLHYYAGUSA-N 1 0 300.402 4.119 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470938883 339331601 /nfs/dbraw/zinc/33/16/01/339331601.db2.gz AFMNBQQZUNKZJE-MJVIPROJSA-N 1 0 316.323 4.237 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470938881 339331769 /nfs/dbraw/zinc/33/17/69/339331769.db2.gz AFMNBQQZUNKZJE-COPLHBTASA-N 1 0 316.323 4.237 20 5 DIBDRO CC(C)(CF)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000472129321 339363703 /nfs/dbraw/zinc/36/37/03/339363703.db2.gz AJQJNKHZAYOSSO-UHFFFAOYSA-N 1 0 308.378 4.161 20 5 DIBDRO Cc1ccc(SC[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000472131536 339363752 /nfs/dbraw/zinc/36/37/52/339363752.db2.gz AEEWTUXQUHFOHU-CQSZACIVSA-N 1 0 316.426 4.174 20 5 DIBDRO Cc1ccc(SC[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000472149584 339364338 /nfs/dbraw/zinc/36/43/38/339364338.db2.gz AASGVENCJZMCOO-AWEZNQCLSA-N 1 0 316.426 4.174 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475545028 339454550 /nfs/dbraw/zinc/45/45/50/339454550.db2.gz CJTLLVHDTQBOPK-PBHICJAKSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2cc3c(s2)CCC3)cccc1[N+](=O)[O-] ZINC000477745420 339500419 /nfs/dbraw/zinc/50/04/19/339500419.db2.gz VJLUJWUVVVMYTP-GFCCVEGCSA-N 1 0 316.426 4.304 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479607143 339543565 /nfs/dbraw/zinc/54/35/65/339543565.db2.gz SIGFEIDAZRNPPF-JTQLQIEISA-N 1 0 304.312 4.006 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCc1ccccc1)C1CC1 ZINC000479848000 339550114 /nfs/dbraw/zinc/55/01/14/339550114.db2.gz CVNZWHFXABJMTN-IBGZPJMESA-N 1 0 324.424 4.138 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2csc3ccccc23)c(F)c1 ZINC000479931988 339553596 /nfs/dbraw/zinc/55/35/96/339553596.db2.gz YKLGILRTWGSNGJ-UHFFFAOYSA-N 1 0 316.357 4.238 20 5 DIBDRO Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480087562 339558470 /nfs/dbraw/zinc/55/84/70/339558470.db2.gz PRRIIAXQRCOEBY-SFHVURJKSA-N 1 0 310.397 4.014 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000480159605 339561082 /nfs/dbraw/zinc/56/10/82/339561082.db2.gz MIMNJDQEENLTDD-WDEREUQCSA-N 1 0 304.312 4.367 20 5 DIBDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481045036 339594331 /nfs/dbraw/zinc/59/43/31/339594331.db2.gz GBWPISOJXNOZAS-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)c21 ZINC000482451679 339631902 /nfs/dbraw/zinc/63/19/02/339631902.db2.gz KZTOKBSHLQGJLI-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483631052 339670017 /nfs/dbraw/zinc/67/00/17/339670017.db2.gz CJLKDHNXRTUIQP-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](CC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000483713837 339672413 /nfs/dbraw/zinc/67/24/13/339672413.db2.gz SSXWNLVQVNZEME-ROUUACIJSA-N 1 0 320.433 4.231 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483852029 339676533 /nfs/dbraw/zinc/67/65/33/339676533.db2.gz MCFKDQNSACGIQV-JKSUJKDBSA-N 1 0 308.422 4.087 20 5 DIBDRO CCO[C@H](CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000483870635 339677505 /nfs/dbraw/zinc/67/75/05/339677505.db2.gz KLXDXEFCNPTPPG-WMLDXEAASA-N 1 0 308.422 4.005 20 5 DIBDRO CCO[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000484479375 339687162 /nfs/dbraw/zinc/68/71/62/339687162.db2.gz WROGMDQUNUFPGY-KBXCAEBGSA-N 1 0 320.433 4.231 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000491579360 339867601 /nfs/dbraw/zinc/86/76/01/339867601.db2.gz PVEMUNCVOWKSSB-BMWLXYDHSA-N 1 0 324.371 4.413 20 5 DIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492610963 339905181 /nfs/dbraw/zinc/90/51/81/339905181.db2.gz YIYPVOKGRBBWMZ-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000500240360 340053833 /nfs/dbraw/zinc/05/38/33/340053833.db2.gz MXTOFNXEWYWUET-IBGZPJMESA-N 1 0 310.397 4.149 20 5 DIBDRO C[C@H]1C[C@@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000500419059 340057729 /nfs/dbraw/zinc/05/77/29/340057729.db2.gz AHHHPSGJFZISJO-SJCJKPOMSA-N 1 0 316.788 4.273 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1CCC(F)(F)CC1 ZINC000500427314 340058224 /nfs/dbraw/zinc/05/82/24/340058224.db2.gz HMCGCZMWOFOBIW-HWKANZROSA-N 1 0 310.344 4.023 20 5 DIBDRO Cc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000500891265 340069330 /nfs/dbraw/zinc/06/93/30/340069330.db2.gz LSZKYZXIFMXJRM-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CC2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000503871269 340135584 /nfs/dbraw/zinc/13/55/84/340135584.db2.gz JSAOHTKGTUYWFB-GFCCVEGCSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1ccsc1C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000506056095 340184498 /nfs/dbraw/zinc/18/44/98/340184498.db2.gz QENPUUWWJXDNRJ-ALCCZGGFSA-N 1 0 302.399 4.110 20 5 DIBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000506098662 340185695 /nfs/dbraw/zinc/18/56/95/340185695.db2.gz GBKHLBUQVUXFHN-XQRVVYSFSA-N 1 0 322.817 4.455 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000506201594 340188555 /nfs/dbraw/zinc/18/85/55/340188555.db2.gz CVCVYAWXBVCYOL-KRWDZBQOSA-N 1 0 316.788 4.068 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000506267279 340190596 /nfs/dbraw/zinc/19/05/96/340190596.db2.gz GXRDUWLWYBJCDT-SNMSSPIJSA-N 1 0 308.381 4.445 20 5 DIBDRO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000506417850 340194240 /nfs/dbraw/zinc/19/42/40/340194240.db2.gz UKSCMPQHKNPYMX-VMPITWQZSA-N 1 0 300.358 4.112 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000506676265 340199400 /nfs/dbraw/zinc/19/94/00/340199400.db2.gz OSPPNLOOQYMSIO-GFCCVEGCSA-N 1 0 320.339 4.374 20 5 DIBDRO CCC[C@@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000507024057 340205644 /nfs/dbraw/zinc/20/56/44/340205644.db2.gz YWETZCFEYWQCPT-GFCCVEGCSA-N 1 0 319.430 4.339 20 5 DIBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000507130915 340208613 /nfs/dbraw/zinc/20/86/13/340208613.db2.gz ANCYQECQYUAIFI-UHFFFAOYSA-N 1 0 316.332 4.120 20 5 DIBDRO C[C@H](c1cccs1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000507442261 340219752 /nfs/dbraw/zinc/21/97/52/340219752.db2.gz OBPSXGPPHFHHEV-OQHXTRMZSA-N 1 0 302.399 4.363 20 5 DIBDRO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000507518274 340223870 /nfs/dbraw/zinc/22/38/70/340223870.db2.gz CKZWTCNMNKOMDX-ZIAGYGMSSA-N 1 0 313.401 4.272 20 5 DIBDRO CC[C@H](C)[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000507695556 340228513 /nfs/dbraw/zinc/22/85/13/340228513.db2.gz WECSTMOXDFZFCA-ZDUSSCGKSA-N 1 0 304.415 4.457 20 5 DIBDRO CC(C)[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000508011879 340237223 /nfs/dbraw/zinc/23/72/23/340237223.db2.gz GTDFTKSMGGSNPD-UHFFFAOYSA-N 1 0 300.358 4.228 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](CCOC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000511019958 340318415 /nfs/dbraw/zinc/31/84/15/340318415.db2.gz WVEDYFFZBHOQKH-CVEARBPZSA-N 1 0 308.422 4.087 20 5 DIBDRO CCS[C@H]1CCCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000303495287 340328141 /nfs/dbraw/zinc/32/81/41/340328141.db2.gz WYSUPLYSTXOGJI-CJNGLKHVSA-N 1 0 308.447 4.263 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000511564159 340330879 /nfs/dbraw/zinc/33/08/79/340330879.db2.gz PNTDAGSLLOKOOK-KRWDZBQOSA-N 1 0 316.788 4.238 20 5 DIBDRO Cc1cc2cc(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000513094309 340393164 /nfs/dbraw/zinc/39/31/64/340393164.db2.gz HKYXUUUFCGOWML-GQCTYLIASA-N 1 0 321.380 4.188 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000513786353 340424992 /nfs/dbraw/zinc/42/49/92/340424992.db2.gz DZRXERMWMHYXEM-RDJZCZTQSA-N 1 0 314.429 4.084 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]CCC2(F)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000575111937 340684808 /nfs/dbraw/zinc/68/48/08/340684808.db2.gz YKMSYRZVKRLILZ-OAHLLOKOSA-N 1 0 306.381 4.189 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000537978840 340795110 /nfs/dbraw/zinc/79/51/10/340795110.db2.gz IUQUNHOGFSLFEX-PTAUBWNISA-N 1 0 310.397 4.487 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000538411153 340822030 /nfs/dbraw/zinc/82/20/30/340822030.db2.gz UNYKZGSLZNCQCZ-QWHCGFSZSA-N 1 0 316.323 4.053 20 5 DIBDRO CCC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000539037878 340865929 /nfs/dbraw/zinc/86/59/29/340865929.db2.gz POTOFLGCRFBGHA-RYQLBKOJSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@H]([NH2+]CCCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000539072382 340870458 /nfs/dbraw/zinc/87/04/58/340870458.db2.gz QPQITGUYJROANZ-AWEZNQCLSA-N 1 0 316.426 4.428 20 5 DIBDRO CC[C@H]([NH2+]CCc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000539076487 340871023 /nfs/dbraw/zinc/87/10/23/340871023.db2.gz FNMBAPYSVSXDQE-INIZCTEOSA-N 1 0 320.339 4.156 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000539084371 340871759 /nfs/dbraw/zinc/87/17/59/340871759.db2.gz SBGQRTFGTDLJBK-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000540177987 340920857 /nfs/dbraw/zinc/92/08/57/340920857.db2.gz YLGOOIGBHGVPIL-TYILLQQXSA-N 1 0 310.397 4.487 20 5 DIBDRO CCc1ccc([C@H]([NH2+]C2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542476992 341009103 /nfs/dbraw/zinc/00/91/03/341009103.db2.gz KMLIMYBTEKXIQR-GOSISDBHSA-N 1 0 314.385 4.372 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCc2ccsc2)C2CC2)cc1 ZINC000543062041 341030033 /nfs/dbraw/zinc/03/00/33/341030033.db2.gz CSLUXZFUMGPCRO-UHFFFAOYSA-N 1 0 316.426 4.254 20 5 DIBDRO Cc1csc([C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000543599549 341050441 /nfs/dbraw/zinc/05/04/41/341050441.db2.gz ZMGDYPMTVUCIMP-YPMHNXCESA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000543628452 341051852 /nfs/dbraw/zinc/05/18/52/341051852.db2.gz REUSMUKMXVSQDX-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000544179149 341073094 /nfs/dbraw/zinc/07/30/94/341073094.db2.gz ZBLKOXVZHDHJPH-CQSZACIVSA-N 1 0 308.447 4.094 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000544354610 341077812 /nfs/dbraw/zinc/07/78/12/341077812.db2.gz HXQUEOLNJRKFIR-NSHDSACASA-N 1 0 322.792 4.261 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000131377767 341082944 /nfs/dbraw/zinc/08/29/44/341082944.db2.gz WUMQRNZFICOWDM-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2sccc2[C@H]1C ZINC000544611145 341088922 /nfs/dbraw/zinc/08/89/22/341088922.db2.gz KRWSVDPMWIURFT-GFCCVEGCSA-N 1 0 302.399 4.084 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H](OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000131486631 341091404 /nfs/dbraw/zinc/09/14/04/341091404.db2.gz SOPNCNWFDWPZEN-QZTJIDSGSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000544897812 341098208 /nfs/dbraw/zinc/09/82/08/341098208.db2.gz MEURCBDBROILPU-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CCc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000545165155 341110980 /nfs/dbraw/zinc/11/09/80/341110980.db2.gz YDRRCBCCMCWQKP-UHFFFAOYSA-N 1 0 304.415 4.244 20 5 DIBDRO CC(C)([NH2+]Cc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000545164803 341110983 /nfs/dbraw/zinc/11/09/83/341110983.db2.gz VWJLGZQRYNGVEV-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000132543755 341126829 /nfs/dbraw/zinc/12/68/29/341126829.db2.gz UAGODLQAOYVIHD-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000132543565 341126855 /nfs/dbraw/zinc/12/68/55/341126855.db2.gz UAGODLQAOYVIHD-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CC(C)c1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000133335248 341173161 /nfs/dbraw/zinc/17/31/61/341173161.db2.gz JVSRJGOCUHFFLS-UHFFFAOYSA-N 1 0 319.430 4.200 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1c(C)cccc1C ZINC000546932277 341187179 /nfs/dbraw/zinc/18/71/79/341187179.db2.gz WKVDBUXQBINBKQ-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000546932276 341187205 /nfs/dbraw/zinc/18/72/05/341187205.db2.gz WKVDBUXQBINBKQ-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000547727109 341229055 /nfs/dbraw/zinc/22/90/55/341229055.db2.gz BVFNVRSAMZPAOV-MRXNPFEDSA-N 1 0 320.339 4.156 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000079121704 341254008 /nfs/dbraw/zinc/25/40/08/341254008.db2.gz XSBYHJDIOMJLOT-QWHCGFSZSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000079721086 341264388 /nfs/dbraw/zinc/26/43/88/341264388.db2.gz ODRWDYVMPCJPPB-QWHCGFSZSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000548790422 341275785 /nfs/dbraw/zinc/27/57/85/341275785.db2.gz UDYWUEQENVSSFJ-STQMWFEESA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000549221774 341288937 /nfs/dbraw/zinc/28/89/37/341288937.db2.gz BCROGHFYEQGZLJ-JLSDUUJJSA-N 1 0 310.397 4.185 20 5 DIBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000550829015 341323793 /nfs/dbraw/zinc/32/37/93/341323793.db2.gz QTUFUUUWURIWOZ-SRCQZFHVSA-N 1 0 314.360 4.331 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000550894879 341325925 /nfs/dbraw/zinc/32/59/25/341325925.db2.gz NHYKPQKFZIUTAA-WDSOQIARSA-N 1 0 310.397 4.439 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)cc1 ZINC000552316819 341385997 /nfs/dbraw/zinc/38/59/97/341385997.db2.gz NPNFAMOXTFDBJQ-GOSISDBHSA-N 1 0 308.381 4.322 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000552557521 341398659 /nfs/dbraw/zinc/39/86/59/341398659.db2.gz VBYOABMKWAYFQN-STQMWFEESA-N 1 0 302.349 4.188 20 5 DIBDRO COCC(C)(C)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000554370151 341451710 /nfs/dbraw/zinc/45/17/10/341451710.db2.gz KMSLQNGJSBWAQY-AWEZNQCLSA-N 1 0 308.422 4.007 20 5 DIBDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000555577767 341485628 /nfs/dbraw/zinc/48/56/28/341485628.db2.gz RIKGJDXEVZPOPX-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCOc2ccccc21 ZINC000565218112 341520374 /nfs/dbraw/zinc/52/03/74/341520374.db2.gz OXISYKDORVXFSN-SJORKVTESA-N 1 0 324.380 4.086 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267425460 341591325 /nfs/dbraw/zinc/59/13/25/341591325.db2.gz LGZIGFUFEATQCI-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO Cc1ccc(F)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175984914 341854952 /nfs/dbraw/zinc/85/49/52/341854952.db2.gz VHYFXRWQBLHQMD-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127090594 522756081 /nfs/dbraw/zinc/75/60/81/522756081.db2.gz FLZMVNKGJFOCFH-RDJZCZTQSA-N 1 0 318.417 4.127 20 5 DIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000192808036 524332059 /nfs/dbraw/zinc/33/20/59/524332059.db2.gz XHAICKCHZRQZBU-RYUDHWBXSA-N 1 0 318.348 4.154 20 5 DIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000336839322 525442069 /nfs/dbraw/zinc/44/20/69/525442069.db2.gz JPYYVXDHJCEKEF-YGRLFVJLSA-N 1 0 320.439 4.372 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000127073907 525924638 /nfs/dbraw/zinc/92/46/38/525924638.db2.gz HBCKLYMHUGBBNJ-GJZGRUSLSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000126613420 526088911 /nfs/dbraw/zinc/08/89/11/526088911.db2.gz IWMCGECEVJTXNL-OLZOCXBDSA-N 1 0 300.358 4.021 20 5 DIBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608836695 1035677089 /nfs/dbraw/zinc/67/70/89/1035677089.db2.gz FPSGVYYSQBTJQB-QWHCGFSZSA-N 1 0 302.374 4.379 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000610216125 1035753455 /nfs/dbraw/zinc/75/34/55/1035753455.db2.gz NQTSPDVPXAFRER-CJNGLKHVSA-N 1 0 316.426 4.282 20 5 DIBDRO CC(C)[N@H+](CCSC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001167178898 1036246321 /nfs/dbraw/zinc/24/63/21/1036246321.db2.gz OMTGBRNYASYSKV-UHFFFAOYSA-N 1 0 310.463 4.337 20 5 DIBDRO CC(C)[N@H+](CCOC1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001167186821 1036255298 /nfs/dbraw/zinc/25/52/98/1036255298.db2.gz HWHRQNATQOLBSW-UHFFFAOYSA-N 1 0 320.433 4.155 20 5 DIBDRO CC(C)[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001167216972 1036282640 /nfs/dbraw/zinc/28/26/40/1036282640.db2.gz CSMHDHDJCCZPAU-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO CCOc1cc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001167227519 1036295294 /nfs/dbraw/zinc/29/52/94/1036295294.db2.gz RTDJELCWQUHBTF-HIFRSBDPSA-N 1 0 306.406 4.004 20 5 DIBDRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000610420464 1037047633 /nfs/dbraw/zinc/04/76/33/1037047633.db2.gz OGDAQQISGCXSDV-CYBMUJFWSA-N 1 0 314.360 4.464 20 5 DIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536670973 1037097228 /nfs/dbraw/zinc/09/72/28/1037097228.db2.gz FMSUHSJXJCMBSW-AJKQWTFCSA-N 1 0 320.458 4.214 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579610681 1037100944 /nfs/dbraw/zinc/10/09/44/1037100944.db2.gz BAPBMSXWHXNDGR-LWLIDHTLSA-N 1 0 308.381 4.105 20 5 DIBDRO Cc1c(C[N@@H+]([C@H](C)c2ccco2)C2CC2)cccc1[N+](=O)[O-] ZINC000119264907 1037243196 /nfs/dbraw/zinc/24/31/96/1037243196.db2.gz SVVPIMJSCRZXPN-CYBMUJFWSA-N 1 0 300.358 4.222 20 5 DIBDRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000579794229 1037264552 /nfs/dbraw/zinc/26/45/52/1037264552.db2.gz TUSPKPGGFNLFSR-YVEFUNNKSA-N 1 0 316.426 4.255 20 5 DIBDRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000579794227 1037265173 /nfs/dbraw/zinc/26/51/73/1037265173.db2.gz TUSPKPGGFNLFSR-SJCJKPOMSA-N 1 0 316.426 4.255 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000177861351 1037352714 /nfs/dbraw/zinc/35/27/14/1037352714.db2.gz JEDJORQLZFIIMG-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1CC(C)C ZINC001167453039 1037517118 /nfs/dbraw/zinc/51/71/18/1037517118.db2.gz HWRZEOIMAORGJZ-INIZCTEOSA-N 1 0 320.433 4.394 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000610511560 1037758896 /nfs/dbraw/zinc/75/88/96/1037758896.db2.gz FAUIILATAGTNER-GXTWGEPZSA-N 1 0 316.323 4.053 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnc2ccsc2c1 ZINC000126546120 1038107730 /nfs/dbraw/zinc/10/77/30/1038107730.db2.gz UMXWXHIYWMKTAE-NSHDSACASA-N 1 0 313.382 4.055 20 5 DIBDRO Cc1ccc(C[NH2+]CCCSc2ccccc2)cc1[N+](=O)[O-] ZINC000061013847 1038164112 /nfs/dbraw/zinc/16/41/12/1038164112.db2.gz LQLKLTOVIPSKJE-UHFFFAOYSA-N 1 0 316.426 4.175 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000061029296 1038171218 /nfs/dbraw/zinc/17/12/18/1038171218.db2.gz MNPBHVBGXSADOW-UHFFFAOYSA-N 1 0 316.376 4.190 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598955998 1038203156 /nfs/dbraw/zinc/20/31/56/1038203156.db2.gz UKHUGJRRNYPLII-LLVKDONJSA-N 1 0 300.349 4.317 20 5 DIBDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000598996381 1038213617 /nfs/dbraw/zinc/21/36/17/1038213617.db2.gz HPVYNGWKVXJKTK-QAQDUYKDSA-N 1 0 320.433 4.058 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000598996151 1038214567 /nfs/dbraw/zinc/21/45/67/1038214567.db2.gz LRNTXYKKATWOGR-QGZVFWFLSA-N 1 0 316.788 4.334 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000599036769 1038224281 /nfs/dbraw/zinc/22/42/81/1038224281.db2.gz UTJDJEDYVFMDLW-INIZCTEOSA-N 1 0 320.751 4.164 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000603495559 1038227793 /nfs/dbraw/zinc/22/77/93/1038227793.db2.gz CMZCUBLHUXUIJS-QGZVFWFLSA-N 1 0 310.397 4.113 20 5 DIBDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599064841 1038230801 /nfs/dbraw/zinc/23/08/01/1038230801.db2.gz FSESRBGVVJOJFL-ACJLOTCBSA-N 1 0 311.385 4.182 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCOC2(C1)CCCCCC2 ZINC000477850169 1038250620 /nfs/dbraw/zinc/25/06/20/1038250620.db2.gz PYTSOCBEFAIDLE-OAHLLOKOSA-N 1 0 318.417 4.081 20 5 DIBDRO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000603851230 1038300422 /nfs/dbraw/zinc/30/04/22/1038300422.db2.gz YNBNXRFOMLSJAP-SFHVURJKSA-N 1 0 316.376 4.263 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000603855666 1038303383 /nfs/dbraw/zinc/30/33/83/1038303383.db2.gz AUSYRPJYXYHFNL-SFHVURJKSA-N 1 0 310.397 4.192 20 5 DIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000603872832 1038310013 /nfs/dbraw/zinc/31/00/13/1038310013.db2.gz SULXLMBOURJDGJ-IBGZPJMESA-N 1 0 310.397 4.283 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000603872194 1038311054 /nfs/dbraw/zinc/31/10/54/1038311054.db2.gz CBPNFXGYQXZGLO-UHFFFAOYSA-N 1 0 310.397 4.017 20 5 DIBDRO CSCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610797040 1038327255 /nfs/dbraw/zinc/32/72/55/1038327255.db2.gz VHVXSSUBWAJUPV-NSHDSACASA-N 1 0 322.455 4.337 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3sccc32)c(Cl)c1 ZINC000061362089 1038330540 /nfs/dbraw/zinc/33/05/40/1038330540.db2.gz MDRWZBNFHIAIND-AWEZNQCLSA-N 1 0 322.817 4.477 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccn1 ZINC000610810427 1038353093 /nfs/dbraw/zinc/35/30/93/1038353093.db2.gz IEZAKFMOXLOHER-RHSMWYFYSA-N 1 0 313.401 4.490 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000610831180 1038373071 /nfs/dbraw/zinc/37/30/71/1038373071.db2.gz IEDIRINVSWFPTH-KBXCAEBGSA-N 1 0 313.401 4.224 20 5 DIBDRO Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)C)s1 ZINC000065162258 1038375060 /nfs/dbraw/zinc/37/50/60/1038375060.db2.gz HSRAYEATKVAJNZ-UHFFFAOYSA-N 1 0 304.415 4.375 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000065161415 1038377696 /nfs/dbraw/zinc/37/76/96/1038377696.db2.gz DSTQXZYDAJPHEM-UHFFFAOYSA-N 1 0 310.397 4.397 20 5 DIBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610859431 1038380953 /nfs/dbraw/zinc/38/09/53/1038380953.db2.gz RSQWFWPHHXXANI-SWLSCSKDSA-N 1 0 317.389 4.137 20 5 DIBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610859389 1038381966 /nfs/dbraw/zinc/38/19/66/1038381966.db2.gz OLFSAFLDXPSKOI-CYBMUJFWSA-N 1 0 317.389 4.137 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000098161390 1038394707 /nfs/dbraw/zinc/39/47/07/1038394707.db2.gz PZKGFUPETZHPSK-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000604561058 1038423408 /nfs/dbraw/zinc/42/34/08/1038423408.db2.gz YOQGMFGQOVOKPV-GOSISDBHSA-N 1 0 310.397 4.192 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000451160408 1038595528 /nfs/dbraw/zinc/59/55/28/1038595528.db2.gz GNVQBLSXXNORKM-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccccc1C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000563268393 1038601064 /nfs/dbraw/zinc/60/10/64/1038601064.db2.gz KJKATSVVWWKQSQ-GOSISDBHSA-N 1 0 310.397 4.014 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000478500671 1038654682 /nfs/dbraw/zinc/65/46/82/1038654682.db2.gz KBPFSOUATUCOGA-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000478510806 1038654797 /nfs/dbraw/zinc/65/47/97/1038654797.db2.gz ZGBWFZZZVYZUCK-ZMZPIMSZSA-N 1 0 314.360 4.065 20 5 DIBDRO Cc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CCC2)o1 ZINC000478485901 1038654900 /nfs/dbraw/zinc/65/49/00/1038654900.db2.gz ZTIJDJNOVCWTSK-GOSISDBHSA-N 1 0 314.385 4.436 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000178591439 1038683524 /nfs/dbraw/zinc/68/35/24/1038683524.db2.gz NWALMDGYZXGANK-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCCC(F)(F)F)C1CC1 ZINC000158591815 1038718455 /nfs/dbraw/zinc/71/84/55/1038718455.db2.gz MIWVZMWCVYZJND-UHFFFAOYSA-N 1 0 316.323 4.292 20 5 DIBDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000608782086 1038920387 /nfs/dbraw/zinc/92/03/87/1038920387.db2.gz ZDMCTWZIVDPZCX-UHFFFAOYSA-N 1 0 314.385 4.062 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC=CCC3)o2)cc1 ZINC000608836613 1038928379 /nfs/dbraw/zinc/92/83/79/1038928379.db2.gz YMASYWMHENHZQN-AWEZNQCLSA-N 1 0 312.369 4.301 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000594517415 1039069038 /nfs/dbraw/zinc/06/90/38/1039069038.db2.gz BVBZWSGCXSORAT-LSDHHAIUSA-N 1 0 318.417 4.046 20 5 DIBDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001167656268 1039168459 /nfs/dbraw/zinc/16/84/59/1039168459.db2.gz HQUGKRFIESSRJB-LJQANCHMSA-N 1 0 310.397 4.350 20 5 DIBDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001167657119 1039173916 /nfs/dbraw/zinc/17/39/16/1039173916.db2.gz RNYFJHCMBSBCQU-HXUWFJFHSA-N 1 0 324.424 4.393 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000248132715 1039216185 /nfs/dbraw/zinc/21/61/85/1039216185.db2.gz ORMBLUJNYISHEM-MELADBBJSA-N 1 0 308.447 4.228 20 5 DIBDRO CC(C)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000089912640 1039297918 /nfs/dbraw/zinc/29/79/18/1039297918.db2.gz BCWVQYWQFGDBNR-UHFFFAOYSA-N 1 0 315.373 4.013 20 5 DIBDRO CCC(CC)(CC)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089912804 1039298965 /nfs/dbraw/zinc/29/89/65/1039298965.db2.gz XQHFCLLFEFTKPW-UHFFFAOYSA-N 1 0 317.389 4.308 20 5 DIBDRO Cc1ccc(C[N@H+](C)Cc2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000539850633 1039368325 /nfs/dbraw/zinc/36/83/25/1039368325.db2.gz JMSXNZRPHAHSBA-UHFFFAOYSA-N 1 0 310.353 4.281 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000540119534 1039422233 /nfs/dbraw/zinc/42/22/33/1039422233.db2.gz FTVMTWKNQNXIEW-HNNXBMFYSA-N 1 0 302.761 4.025 20 5 DIBDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540147392 1039427002 /nfs/dbraw/zinc/42/70/02/1039427002.db2.gz RAPZTUNKXLLPRZ-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000152919349 1039461284 /nfs/dbraw/zinc/46/12/84/1039461284.db2.gz FOUQRSWPSNGVBZ-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000540392881 1039485600 /nfs/dbraw/zinc/48/56/00/1039485600.db2.gz CLKRAXBQGZSFKC-NUEKZKHPSA-N 1 0 322.474 4.037 20 5 DIBDRO CS[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000541568031 1039707989 /nfs/dbraw/zinc/70/79/89/1039707989.db2.gz ZTLDNQKTCCQCSP-SWLSCSKDSA-N 1 0 310.463 4.332 20 5 DIBDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000271608135 1039721551 /nfs/dbraw/zinc/72/15/51/1039721551.db2.gz BALQDXXGPOVOIJ-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000090217525 1039764850 /nfs/dbraw/zinc/76/48/50/1039764850.db2.gz BKCYJOMLFPZCMO-STQMWFEESA-N 1 0 302.374 4.470 20 5 DIBDRO CC(C)([NH2+]Cc1cnc2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000492459805 1039968777 /nfs/dbraw/zinc/96/87/77/1039968777.db2.gz HJYVKCNSQNZTDA-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO CCOc1cc(C[N@H+](C(C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000492511017 1039972445 /nfs/dbraw/zinc/97/24/45/1039972445.db2.gz INWZEUGFMCKFQT-UHFFFAOYSA-N 1 0 306.406 4.147 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000152255208 1040006990 /nfs/dbraw/zinc/00/69/90/1040006990.db2.gz ZAIWAYGRLPKGQP-MLGOLLRUSA-N 1 0 300.358 4.224 20 5 DIBDRO Cc1cc(N2CC[C@@H](c3ccco3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925262 1040068039 /nfs/dbraw/zinc/06/80/39/1040068039.db2.gz TZFRCMCKVYTMNY-CYBMUJFWSA-N 1 0 323.352 4.038 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000782543681 1040225929 /nfs/dbraw/zinc/22/59/29/1040225929.db2.gz NADKAUVWWWRADM-LBPRGKRZSA-N 1 0 324.730 4.315 20 5 DIBDRO CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000612192023 1040491559 /nfs/dbraw/zinc/49/15/59/1040491559.db2.gz IMJMRCVYCNMCDC-XQRVVYSFSA-N 1 0 310.344 4.166 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000065951540 1040620606 /nfs/dbraw/zinc/62/06/06/1040620606.db2.gz UFBJBWNNFVYILG-FQEVSTJZSA-N 1 0 322.408 4.289 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000066236800 1040738467 /nfs/dbraw/zinc/73/84/67/1040738467.db2.gz UHQHZUKUGYTSDY-QGZVFWFLSA-N 1 0 302.349 4.221 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C(F)F)cc1 ZINC000582191543 1040913227 /nfs/dbraw/zinc/91/32/27/1040913227.db2.gz AZCKPXSVFPIIPE-HNNXBMFYSA-N 1 0 318.323 4.310 20 5 DIBDRO Cc1ccc(F)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000180282660 1041088290 /nfs/dbraw/zinc/08/82/90/1041088290.db2.gz RFEIJPJHILAGIV-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000414334542 1041139331 /nfs/dbraw/zinc/13/93/31/1041139331.db2.gz ISIGIVSBVJJBFV-BZUAXINKSA-N 1 0 300.358 4.175 20 5 DIBDRO CSCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180575278 1041170073 /nfs/dbraw/zinc/17/00/73/1041170073.db2.gz VOXNQALKKPEGBP-KRWDZBQOSA-N 1 0 316.426 4.027 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCc1nccc2ccccc21 ZINC001167702846 1041204383 /nfs/dbraw/zinc/20/43/83/1041204383.db2.gz LWWDDHMYYQUBOV-UHFFFAOYSA-N 1 0 320.460 4.443 20 5 DIBDRO CCOC1CC(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000188775766 1041215204 /nfs/dbraw/zinc/21/52/04/1041215204.db2.gz FRGIFJKCJKOEBS-UHFFFAOYSA-N 1 0 320.433 4.013 20 5 DIBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC000809933002 1041274322 /nfs/dbraw/zinc/27/43/22/1041274322.db2.gz MZXKZJVRRLVRMP-UHFFFAOYSA-N 1 0 303.189 4.276 20 5 DIBDRO c1ncn2c1C[N@H+](Cc1c3ccccc3cc3ccccc31)CC2 ZINC000811515540 1041528666 /nfs/dbraw/zinc/52/86/66/1041528666.db2.gz XTKMZPIXSHDOTJ-UHFFFAOYSA-N 1 0 313.404 4.205 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC=CCC1 ZINC000811480883 1041529167 /nfs/dbraw/zinc/52/91/67/1041529167.db2.gz ISPTYXMELHCCOH-LLVKDONJSA-N 1 0 301.173 4.100 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCC1CC1 ZINC000811480983 1041529352 /nfs/dbraw/zinc/52/93/52/1041529352.db2.gz LKZFBLGJVPNOSR-UHFFFAOYSA-N 1 0 303.189 4.181 20 5 DIBDRO COCCC(C)(C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344417 1041661816 /nfs/dbraw/zinc/66/18/16/1041661816.db2.gz QCOZRQPOXJOFPH-KRWDZBQOSA-N 1 0 320.433 4.015 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000181684811 1041845832 /nfs/dbraw/zinc/84/58/32/1041845832.db2.gz UVSKRRWNBNZVFI-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000093116050 1041876880 /nfs/dbraw/zinc/87/68/80/1041876880.db2.gz JYHIHVFTVDCVFT-KRWDZBQOSA-N 1 0 314.360 4.210 20 5 DIBDRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555729 1041963251 /nfs/dbraw/zinc/96/32/51/1041963251.db2.gz GUHYFHPUDGEJCX-QLJPJBMISA-N 1 0 317.414 4.040 20 5 DIBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000815566053 1041964153 /nfs/dbraw/zinc/96/41/53/1041964153.db2.gz HPEOIYVHAUVBDP-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000815586078 1041968574 /nfs/dbraw/zinc/96/85/74/1041968574.db2.gz YPDNBHKOEZIYRL-MCIONIFRSA-N 1 0 313.401 4.020 20 5 DIBDRO COc1ccc(C[NH+]2CCC(C)(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC001170833915 1042065990 /nfs/dbraw/zinc/06/59/90/1042065990.db2.gz CLBLPIDQNNRRCZ-UHFFFAOYSA-N 1 0 320.433 4.252 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1Cl ZINC000816649542 1042076908 /nfs/dbraw/zinc/07/69/08/1042076908.db2.gz BNHVDZYEXVSXFJ-GJZGRUSLSA-N 1 0 316.788 4.142 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH+]1CC2(C1)CCOC2 ZINC000816671494 1042077366 /nfs/dbraw/zinc/07/73/66/1042077366.db2.gz ZEEQUSKIYCGULD-UHFFFAOYSA-N 1 0 303.405 4.215 20 5 DIBDRO O[C@H]1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000816667455 1042077834 /nfs/dbraw/zinc/07/78/34/1042077834.db2.gz NSIFIEAESORHOL-SFHVURJKSA-N 1 0 305.421 4.340 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000396878803 1042148343 /nfs/dbraw/zinc/14/83/43/1042148343.db2.gz GOZGIHYJFOIURI-GXSJLCMTSA-N 1 0 304.312 4.142 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000279069914 1042267930 /nfs/dbraw/zinc/26/79/30/1042267930.db2.gz LOZFMDKFMLEVTC-SJCJKPOMSA-N 1 0 311.385 4.063 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000822822141 1042301836 /nfs/dbraw/zinc/30/18/36/1042301836.db2.gz FOCBZKWJEYWQGG-CMPLNLGQSA-N 1 0 317.216 4.138 20 5 DIBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 ZINC000279634728 1042326045 /nfs/dbraw/zinc/32/60/45/1042326045.db2.gz ZOQUGCYLKQLZJV-SECBINFHSA-N 1 0 314.263 4.057 20 5 DIBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001171019854 1042327769 /nfs/dbraw/zinc/32/77/69/1042327769.db2.gz XRNUWANITMOLBX-HZPDHXFCSA-N 1 0 316.426 4.424 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1 ZINC000005997140 1042343105 /nfs/dbraw/zinc/34/31/05/1042343105.db2.gz NICBOTMQUBULDT-UHFFFAOYSA-N 1 0 300.358 4.277 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000573505828 1042409855 /nfs/dbraw/zinc/40/98/55/1042409855.db2.gz NAAWXIAVRAIQEL-OAHLLOKOSA-N 1 0 320.751 4.164 20 5 DIBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237033847 1042465131 /nfs/dbraw/zinc/46/51/31/1042465131.db2.gz AKEYHBNQEABPCJ-NWDGAFQWSA-N 1 0 319.430 4.243 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc3cccnc32)cccc1[N+](=O)[O-] ZINC000120516433 1042467801 /nfs/dbraw/zinc/46/78/01/1042467801.db2.gz FPDLEMLFZWTCKY-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951796 1042616491 /nfs/dbraw/zinc/61/64/91/1042616491.db2.gz RCVCNVMPUWBSCR-VXGBXAGGSA-N 1 0 316.323 4.320 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420942926 1042618962 /nfs/dbraw/zinc/61/89/62/1042618962.db2.gz HRYYCXTWPYRKHI-RYUDHWBXSA-N 1 0 316.323 4.320 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000231791853 1042627666 /nfs/dbraw/zinc/62/76/66/1042627666.db2.gz SIQFOPBHUVMPJN-GXFFZTMASA-N 1 0 304.312 4.367 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000035009652 1042647274 /nfs/dbraw/zinc/64/72/74/1042647274.db2.gz JZVSEUJAYMQKQT-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421893214 1042661650 /nfs/dbraw/zinc/66/16/50/1042661650.db2.gz WWTZKSBPDLBRBB-DZGCQCFKSA-N 1 0 320.458 4.087 20 5 DIBDRO CCC[C@H]([NH2+]CC(C)(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000183936282 1042687249 /nfs/dbraw/zinc/68/72/49/1042687249.db2.gz IPKKONRQZJWYCH-INIZCTEOSA-N 1 0 308.422 4.088 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)c2ccccc2)c1 ZINC000424341643 1042737706 /nfs/dbraw/zinc/73/77/06/1042737706.db2.gz DTOGGVKDERZEAG-SFNKJDCFSA-N 1 0 308.381 4.072 20 5 DIBDRO Cc1cc(N[C@@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000319795072 1042768691 /nfs/dbraw/zinc/76/86/91/1042768691.db2.gz QFXVHORGFVSKLM-SNVBAGLBSA-N 1 0 307.300 4.051 20 5 DIBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000514191381 1042773945 /nfs/dbraw/zinc/77/39/45/1042773945.db2.gz XTVIPGIBXUNWHN-GOSISDBHSA-N 1 0 310.397 4.110 20 5 DIBDRO CCC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC001167957968 1042788164 /nfs/dbraw/zinc/78/81/64/1042788164.db2.gz FZDZLUUKGGHTDR-AWEZNQCLSA-N 1 0 306.406 4.006 20 5 DIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180042 1042936217 /nfs/dbraw/zinc/93/62/17/1042936217.db2.gz GZXWOLHAVHWWSS-ROUUACIJSA-N 1 0 308.381 4.168 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCCCC3)C2)c(F)c1 ZINC001307457835 1042978607 /nfs/dbraw/zinc/97/86/07/1042978607.db2.gz AAJXJUIBBFWSOB-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000441342236 1043039534 /nfs/dbraw/zinc/03/95/34/1043039534.db2.gz YDMKJBPULBSCJG-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000178134987 1043122588 /nfs/dbraw/zinc/12/25/88/1043122588.db2.gz UCNZQNUALHVSSX-CXAGYDPISA-N 1 0 316.405 4.174 20 5 DIBDRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178648380 1043134786 /nfs/dbraw/zinc/13/47/86/1043134786.db2.gz GDBNMYALPAYFPL-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO CC(C)Oc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178648391 1043135013 /nfs/dbraw/zinc/13/50/13/1043135013.db2.gz GDBNMYALPAYFPL-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266841734 1043175626 /nfs/dbraw/zinc/17/56/26/1043175626.db2.gz GYOQPKIIUMUMAD-KGLIPLIRSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441536283 1043208231 /nfs/dbraw/zinc/20/82/31/1043208231.db2.gz SWCJMAXUKRSNPB-CVEARBPZSA-N 1 0 310.397 4.454 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)cc1[N+](=O)[O-] ZINC000866541101 1043220540 /nfs/dbraw/zinc/22/05/40/1043220540.db2.gz WNUDKLCHDRNENU-NSHDSACASA-N 1 0 321.327 4.087 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(F)F ZINC000866543476 1043221933 /nfs/dbraw/zinc/22/19/33/1043221933.db2.gz WWWYSBXWCXSXAH-GFCCVEGCSA-N 1 0 314.376 4.187 20 5 DIBDRO Cc1cnc([C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000186763765 1043233466 /nfs/dbraw/zinc/23/34/66/1043233466.db2.gz HWFMZZDKQZMMEW-ZWNOBZJWSA-N 1 0 319.430 4.122 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000192895685 1043277305 /nfs/dbraw/zinc/27/73/05/1043277305.db2.gz RUMBAPLYEFHRPS-MSOLQXFVSA-N 1 0 311.385 4.108 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000268803132 1043333874 /nfs/dbraw/zinc/33/38/74/1043333874.db2.gz QUNVVCBXZKHHLH-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000520957496 1043346673 /nfs/dbraw/zinc/34/66/73/1043346673.db2.gz DBCJEQPFCSHXKA-LRDDRELGSA-N 1 0 300.358 4.133 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000872015940 1043419153 /nfs/dbraw/zinc/41/91/53/1043419153.db2.gz ANNILCIEHUQDKE-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000872018788 1043422316 /nfs/dbraw/zinc/42/23/16/1043422316.db2.gz PLEDZRQGKGXDEI-NEPJUHHUSA-N 1 0 317.414 4.124 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000271526469 1043432267 /nfs/dbraw/zinc/43/22/67/1043432267.db2.gz PDEXOSHNONVYCM-LXZKKBNFSA-N 1 0 320.433 4.148 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000872051592 1043435622 /nfs/dbraw/zinc/43/56/22/1043435622.db2.gz LPYIDZLVRGFUIK-MNOVXSKESA-N 1 0 305.403 4.057 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000872051593 1043435764 /nfs/dbraw/zinc/43/57/64/1043435764.db2.gz LPYIDZLVRGFUIK-QWRGUYRKSA-N 1 0 305.403 4.057 20 5 DIBDRO CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872054426 1043437862 /nfs/dbraw/zinc/43/78/62/1043437862.db2.gz VZGXUVSLBRTESY-GHMZBOCLSA-N 1 0 304.312 4.367 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000872082503 1043453950 /nfs/dbraw/zinc/45/39/50/1043453950.db2.gz XEAAQOMAJQQONO-ZJUUUORDSA-N 1 0 318.389 4.259 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000872082501 1043454630 /nfs/dbraw/zinc/45/46/30/1043454630.db2.gz XEAAQOMAJQQONO-UWVGGRQHSA-N 1 0 318.389 4.259 20 5 DIBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000521827475 1043479953 /nfs/dbraw/zinc/47/99/53/1043479953.db2.gz LHOSIELMHMWLHO-LRDDRELGSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872276848 1043486933 /nfs/dbraw/zinc/48/69/33/1043486933.db2.gz MYVQFQVLEYIMSS-KBXCAEBGSA-N 1 0 318.417 4.079 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000558480384 1043518446 /nfs/dbraw/zinc/51/84/46/1043518446.db2.gz RFDOUDRDXCNLTJ-LBPRGKRZSA-N 1 0 322.817 4.395 20 5 DIBDRO CC(C)Oc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873184312 1043524090 /nfs/dbraw/zinc/52/40/90/1043524090.db2.gz LKAAKFNZSCRGJH-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO COCCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151634625 1043598190 /nfs/dbraw/zinc/59/81/90/1043598190.db2.gz HXSKINZPTQMFPG-GFCCVEGCSA-N 1 0 320.414 4.010 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000353970130 1043667549 /nfs/dbraw/zinc/66/75/49/1043667549.db2.gz BXBFGGQYZCGTRF-PXAZEXFGSA-N 1 0 324.384 4.273 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000927060241 1043676172 /nfs/dbraw/zinc/67/61/72/1043676172.db2.gz TYKJYILTHOWNRM-CZUORRHYSA-N 1 0 311.385 4.026 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185177870 1043702968 /nfs/dbraw/zinc/70/29/68/1043702968.db2.gz ICGOCADRGYLCCX-HWKANZROSA-N 1 0 318.323 4.335 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000025360321 1043727602 /nfs/dbraw/zinc/72/76/02/1043727602.db2.gz JHAIKDQJIZFPOW-QGZVFWFLSA-N 1 0 300.333 4.071 20 5 DIBDRO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c2ccccc2cc2ccccc21 ZINC000126687865 1043793093 /nfs/dbraw/zinc/79/30/93/1043793093.db2.gz CDHVWADEBMVNRK-DFNIBXOVSA-N 1 0 317.432 4.481 20 5 DIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000561810541 1044007577 /nfs/dbraw/zinc/00/75/77/1044007577.db2.gz KISHGDKJEAJYGL-LJQANCHMSA-N 1 0 310.397 4.494 20 5 DIBDRO CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000358327917 1044054671 /nfs/dbraw/zinc/05/46/71/1044054671.db2.gz VBPKGINLJPODEE-NSHDSACASA-N 1 0 319.430 4.081 20 5 DIBDRO CSc1cc(C)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151720629 1044061221 /nfs/dbraw/zinc/06/12/21/1044061221.db2.gz BPISZOWCNOFJRN-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358377621 1044061827 /nfs/dbraw/zinc/06/18/27/1044061827.db2.gz JJSLTBFJZYEHQT-QZTJIDSGSA-N 1 0 311.385 4.182 20 5 DIBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000932561401 1044143012 /nfs/dbraw/zinc/14/30/12/1044143012.db2.gz PIGZEDHYRDNDNT-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO OC[C@H](CC(F)F)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000883103757 1044219888 /nfs/dbraw/zinc/21/98/88/1044219888.db2.gz FNFYGUWWTHBHFA-HNNXBMFYSA-N 1 0 315.363 4.099 20 5 DIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000523006065 1044296771 /nfs/dbraw/zinc/29/67/71/1044296771.db2.gz PYUMPRFOWJJFTC-BBRMVZONSA-N 1 0 314.360 4.112 20 5 DIBDRO CCc1ccc([C@H]([NH2+]CC[C@H](C)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000563670347 1044300867 /nfs/dbraw/zinc/30/08/67/1044300867.db2.gz IXGMPTKKNXBQEU-YVEFUNNKSA-N 1 0 320.364 4.177 20 5 DIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000523008368 1044305019 /nfs/dbraw/zinc/30/50/19/1044305019.db2.gz RCKVTTPFENUNAM-BBRMVZONSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000523008075 1044306073 /nfs/dbraw/zinc/30/60/73/1044306073.db2.gz FXERGIOBYDROAP-ZDUSSCGKSA-N 1 0 318.804 4.311 20 5 DIBDRO Cc1ccoc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000293703441 1044315914 /nfs/dbraw/zinc/31/59/14/1044315914.db2.gz ONYFDOXGTHUAIA-OAHLLOKOSA-N 1 0 300.358 4.008 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000475332370 1044365546 /nfs/dbraw/zinc/36/55/46/1044365546.db2.gz FLCRVRZBACTLQN-RDJZCZTQSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000475335410 1044366872 /nfs/dbraw/zinc/36/68/72/1044366872.db2.gz HEHBYMLRVPVHDD-HIFRSBDPSA-N 1 0 320.389 4.221 20 5 DIBDRO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000106877191 1044372097 /nfs/dbraw/zinc/37/20/97/1044372097.db2.gz NPLQXQCUVQFWKE-LBPRGKRZSA-N 1 0 319.430 4.170 20 5 DIBDRO CC[C@H](NCCC[NH+](C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361802994 1044445776 /nfs/dbraw/zinc/44/57/76/1044445776.db2.gz CLQQMVVZMNORPY-SFHVURJKSA-N 1 0 321.465 4.144 20 5 DIBDRO CCC[C@@H]([NH2+]CC1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000361926678 1044459233 /nfs/dbraw/zinc/45/92/33/1044459233.db2.gz RAUFHYUCWUTWFO-IUPXNIOVSA-N 1 0 320.433 4.231 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000361964773 1044463582 /nfs/dbraw/zinc/46/35/82/1044463582.db2.gz CEKRYDQVKCVDHP-KSSFIOAISA-N 1 0 313.401 4.052 20 5 DIBDRO CC(C)SCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000566992163 1044532330 /nfs/dbraw/zinc/53/23/30/1044532330.db2.gz JSNMEMYWAORYPB-ZBFHGGJFSA-N 1 0 322.474 4.037 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000295980938 1044579096 /nfs/dbraw/zinc/57/90/96/1044579096.db2.gz OTDCBRGUCKDYMX-SUMWQHHRSA-N 1 0 316.405 4.003 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000296230536 1044600319 /nfs/dbraw/zinc/60/03/19/1044600319.db2.gz AHDYGDALZXZVLP-QWHCGFSZSA-N 1 0 312.369 4.037 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444708412 1044611788 /nfs/dbraw/zinc/61/17/88/1044611788.db2.gz QSCUDNFBSPOHGQ-VXGBXAGGSA-N 1 0 316.323 4.239 20 5 DIBDRO CCC(CC)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccs1 ZINC000886109805 1044615958 /nfs/dbraw/zinc/61/59/58/1044615958.db2.gz RYGDALMUZSZRCK-OAHLLOKOSA-N 1 0 319.430 4.318 20 5 DIBDRO CCC(CC)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccs1 ZINC000886109804 1044616650 /nfs/dbraw/zinc/61/66/50/1044616650.db2.gz RYGDALMUZSZRCK-HNNXBMFYSA-N 1 0 319.430 4.318 20 5 DIBDRO Cc1ccc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)o1 ZINC000568466591 1044627992 /nfs/dbraw/zinc/62/79/92/1044627992.db2.gz GJLNUMGPPVLPHF-KRWDZBQOSA-N 1 0 314.385 4.051 20 5 DIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2C[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569887145 1044719205 /nfs/dbraw/zinc/71/92/05/1044719205.db2.gz WHTNUHNGAMQXNY-XAYKYTGQSA-N 1 0 314.385 4.085 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000089553226 1044742254 /nfs/dbraw/zinc/74/22/54/1044742254.db2.gz NYZKCMXDYBMNNI-KGLIPLIRSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000524426349 1044840451 /nfs/dbraw/zinc/84/04/51/1044840451.db2.gz JRPABNVQMOTDKF-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO CC(C)c1ccc(CN[C@@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC000337952100 1044968304 /nfs/dbraw/zinc/96/83/04/1044968304.db2.gz WTYJUWRRPHFPCA-LBPRGKRZSA-N 1 0 317.364 4.103 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000525121992 1044988459 /nfs/dbraw/zinc/98/84/59/1044988459.db2.gz OIANVQYUSADNFF-QAPCUYQASA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000525121991 1044989118 /nfs/dbraw/zinc/98/91/18/1044989118.db2.gz OIANVQYUSADNFF-MAUKXSAKSA-N 1 0 310.397 4.220 20 5 DIBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000447082646 1045091748 /nfs/dbraw/zinc/09/17/48/1045091748.db2.gz QWTXOTBTMGLYHE-CYBMUJFWSA-N 1 0 304.415 4.028 20 5 DIBDRO CCSCC[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447528066 1045137240 /nfs/dbraw/zinc/13/72/40/1045137240.db2.gz ICXYCZXHVBYYNW-LRDDRELGSA-N 1 0 308.447 4.094 20 5 DIBDRO Cc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000447539836 1045143568 /nfs/dbraw/zinc/14/35/68/1045143568.db2.gz HTFZQCSSGVVFNK-SFHVURJKSA-N 1 0 314.360 4.210 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](c1cccnc1)C1CC1)CCC2 ZINC000447587072 1045155665 /nfs/dbraw/zinc/15/56/65/1045155665.db2.gz OJACXLWKPWIDQY-MOPGFXCFSA-N 1 0 323.396 4.108 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447575066 1045156534 /nfs/dbraw/zinc/15/65/34/1045156534.db2.gz QBBKVZQXINHOIA-CWVNLOTRSA-N 1 0 322.408 4.495 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ncccc32)cc1[N+](=O)[O-] ZINC000601271832 1045208967 /nfs/dbraw/zinc/20/89/67/1045208967.db2.gz UXBAUTCSUQESPQ-SUMWQHHRSA-N 1 0 311.385 4.026 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000925227630 1045236823 /nfs/dbraw/zinc/23/68/23/1045236823.db2.gz ACOIANQPDWZIFZ-PIGZYNQJSA-N 1 0 318.348 4.241 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000449460898 1045395325 /nfs/dbraw/zinc/39/53/25/1045395325.db2.gz OFDHISKPZXRSPH-YPMHNXCESA-N 1 0 316.323 4.066 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000449460895 1045396169 /nfs/dbraw/zinc/39/61/69/1045396169.db2.gz OFDHISKPZXRSPH-AAEUAGOBSA-N 1 0 316.323 4.066 20 5 DIBDRO CC(C)c1nc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC001120352730 1045538200 /nfs/dbraw/zinc/53/82/00/1045538200.db2.gz DDRPIWIMPCWUBN-GFCCVEGCSA-N 1 0 319.430 4.068 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000796620090 1045548027 /nfs/dbraw/zinc/54/80/27/1045548027.db2.gz OVSWPPPGVAUIMP-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000119591058 1045582196 /nfs/dbraw/zinc/58/21/96/1045582196.db2.gz ZQVODJPTGXJVNN-MRXNPFEDSA-N 1 0 320.339 4.422 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CCC(F)(F)CC2)c1 ZINC000800294184 1045606538 /nfs/dbraw/zinc/60/65/38/1045606538.db2.gz ZUOGILXYLDLBBS-UHFFFAOYSA-N 1 0 318.751 4.163 20 5 DIBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000451134264 1045631036 /nfs/dbraw/zinc/63/10/36/1045631036.db2.gz HCQZUMSVYWBUCW-DMDPSCGWSA-N 1 0 316.323 4.146 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000451165151 1045638219 /nfs/dbraw/zinc/63/82/19/1045638219.db2.gz UJYPLKVHJKUJNN-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000801521239 1045728828 /nfs/dbraw/zinc/72/88/28/1045728828.db2.gz ZFYDONDYCTWGBL-KRWDZBQOSA-N 1 0 320.339 4.360 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)cc1F ZINC000801523226 1045731327 /nfs/dbraw/zinc/73/13/27/1045731327.db2.gz LVRVRCIZMNIGED-GOSISDBHSA-N 1 0 314.360 4.365 20 5 DIBDRO CC1=C(c2ccco2)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801602504 1045753298 /nfs/dbraw/zinc/75/32/98/1045753298.db2.gz LCSUFDZSDNAVBY-UHFFFAOYSA-N 1 0 316.332 4.006 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000078971129 1045796083 /nfs/dbraw/zinc/79/60/83/1045796083.db2.gz RZUVPADNNTZPQH-GHMZBOCLSA-N 1 0 306.312 4.285 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000078971112 1045796513 /nfs/dbraw/zinc/79/65/13/1045796513.db2.gz RZUVPADNNTZPQH-QWRGUYRKSA-N 1 0 306.312 4.285 20 5 DIBDRO CC(C)([NH2+]Cc1cc(Cl)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000193141019 1045971250 /nfs/dbraw/zinc/97/12/50/1045971250.db2.gz BLGQXKHBTHKOGX-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO CSCCCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193306810 1045991048 /nfs/dbraw/zinc/99/10/48/1045991048.db2.gz HDBZHTGPWBUXJB-INIZCTEOSA-N 1 0 308.447 4.095 20 5 DIBDRO CC(F)(F)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453229236 1045995399 /nfs/dbraw/zinc/99/53/99/1045995399.db2.gz GMQJDIGOFFONPN-AWEZNQCLSA-N 1 0 312.360 4.342 20 5 DIBDRO CC(C)([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000830009099 1046029858 /nfs/dbraw/zinc/02/98/58/1046029858.db2.gz PVJGRCROEMXPEY-CYBMUJFWSA-N 1 0 317.216 4.003 20 5 DIBDRO Cc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)CCC2)cc1 ZINC000830817369 1046103216 /nfs/dbraw/zinc/10/32/16/1046103216.db2.gz XUTLWCDKDXZLSS-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000532213564 1046116316 /nfs/dbraw/zinc/11/63/16/1046116316.db2.gz BDNKTJADONHPEI-QWHCGFSZSA-N 1 0 302.349 4.188 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000532224214 1046119494 /nfs/dbraw/zinc/11/94/94/1046119494.db2.gz VGCWKLVBPRMBBS-SWLSCSKDSA-N 1 0 314.410 4.401 20 5 DIBDRO CCc1cccnc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245200 1046206437 /nfs/dbraw/zinc/20/64/37/1046206437.db2.gz JZQOPJTZSAYZBQ-KBPBESRZSA-N 1 0 313.401 4.007 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000903246776 1046207188 /nfs/dbraw/zinc/20/71/88/1046207188.db2.gz WVWCAKPOFMTZTM-WDEREUQCSA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000903246772 1046207771 /nfs/dbraw/zinc/20/77/71/1046207771.db2.gz WVWCAKPOFMTZTM-GHMZBOCLSA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000903286501 1046223870 /nfs/dbraw/zinc/22/38/70/1046223870.db2.gz AHDYGDALZXZVLP-CHWSQXEVSA-N 1 0 312.369 4.037 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000903289607 1046224875 /nfs/dbraw/zinc/22/48/75/1046224875.db2.gz VMKHKMXLHFCAIE-VXGBXAGGSA-N 1 0 318.348 4.154 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000903286512 1046225325 /nfs/dbraw/zinc/22/53/25/1046225325.db2.gz AHDYGDALZXZVLP-OLZOCXBDSA-N 1 0 312.369 4.037 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)CCC2 ZINC000903334971 1046246788 /nfs/dbraw/zinc/24/67/88/1046246788.db2.gz JHYPCFIQMRVGRF-HKUYNNGSSA-N 1 0 323.396 4.108 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000127543565 1046257367 /nfs/dbraw/zinc/25/73/67/1046257367.db2.gz LXVHYYLZWWFKGJ-GJZGRUSLSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc(C)c1F ZINC000089512076 1046287550 /nfs/dbraw/zinc/28/75/50/1046287550.db2.gz UTRJIPMUOSRMKQ-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1 ZINC000237744808 1046320650 /nfs/dbraw/zinc/32/06/50/1046320650.db2.gz YPCWPMOGBCAAOD-UHFFFAOYSA-N 1 0 314.360 4.293 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccn1 ZINC000610810429 1046373995 /nfs/dbraw/zinc/37/39/95/1046373995.db2.gz IEZAKFMOXLOHER-YOEHRIQHSA-N 1 0 313.401 4.490 20 5 DIBDRO C[C@H](C[NH2+]C1CCC(C(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000897463737 1046437976 /nfs/dbraw/zinc/43/79/76/1046437976.db2.gz HWGAHAHWGRZMHR-PNESKVBLSA-N 1 0 312.360 4.112 20 5 DIBDRO CS[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C ZINC000783667031 1046619412 /nfs/dbraw/zinc/61/94/12/1046619412.db2.gz KAHRJPKBRGTWTH-ZDUSSCGKSA-N 1 0 316.854 4.116 20 5 DIBDRO CS[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000784625492 1046700988 /nfs/dbraw/zinc/70/09/88/1046700988.db2.gz FSZBOLWQKSYRCV-ZDUSSCGKSA-N 1 0 316.854 4.116 20 5 DIBDRO CS[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000784625491 1046701250 /nfs/dbraw/zinc/70/12/50/1046701250.db2.gz FSZBOLWQKSYRCV-CYBMUJFWSA-N 1 0 316.854 4.116 20 5 DIBDRO CS[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000784626440 1046702546 /nfs/dbraw/zinc/70/25/46/1046702546.db2.gz UMWUYLBLLJQPKI-ZDUSSCGKSA-N 1 0 316.854 4.116 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H]2C=CCC2)o1 ZINC001203056399 1046843613 /nfs/dbraw/zinc/84/36/13/1046843613.db2.gz XXURDQSLKUZYEK-LBPRGKRZSA-N 1 0 318.760 4.316 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000797518988 1046845365 /nfs/dbraw/zinc/84/53/65/1046845365.db2.gz QHJAUKGJFDPPCI-GOSISDBHSA-N 1 0 314.385 4.018 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCCCC1 ZINC000303182553 1046882068 /nfs/dbraw/zinc/88/20/68/1046882068.db2.gz DEOKQTNWCBCBKE-UHFFFAOYSA-N 1 0 306.406 4.147 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000797876934 1046900511 /nfs/dbraw/zinc/90/05/11/1046900511.db2.gz IRVXEKBOQDJJDC-CTYIDZIISA-N 1 0 316.788 4.284 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303571727 1046930735 /nfs/dbraw/zinc/93/07/35/1046930735.db2.gz MWRXWAVFDPMGDJ-QAPCUYQASA-N 1 0 300.402 4.478 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000536873428 1047117237 /nfs/dbraw/zinc/11/72/37/1047117237.db2.gz ZYOUNLPHKSXSAU-NJSLBKSFSA-N 1 0 310.397 4.487 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C/C=C\C2CC2)c2ccccc2)c1 ZINC001117751639 1047240594 /nfs/dbraw/zinc/24/05/94/1047240594.db2.gz VAPSIULLRPKDGM-VOFKWLDRSA-N 1 0 308.381 4.240 20 5 DIBDRO OC[C@H]1C[C@H](F)C[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141723411 1047277512 /nfs/dbraw/zinc/27/75/12/1047277512.db2.gz WRERMFLWEXBOFA-YJBOKZPZSA-N 1 0 323.411 4.145 20 5 DIBDRO C[C@@]1(CO)CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141722994 1047278625 /nfs/dbraw/zinc/27/86/25/1047278625.db2.gz NHOCDKBPLHPWQB-OAQYLSRUSA-N 1 0 305.421 4.197 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000537480774 1047302886 /nfs/dbraw/zinc/30/28/86/1047302886.db2.gz DFOVAFKBNZLFFR-XIRDDKMYSA-N 1 0 320.433 4.148 20 5 DIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000061556297 1047572222 /nfs/dbraw/zinc/57/22/22/1047572222.db2.gz GZFROCSQHOCETL-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000348203373 1047634768 /nfs/dbraw/zinc/63/47/68/1047634768.db2.gz CEWFCVCZDNEUCO-CZUORRHYSA-N 1 0 308.447 4.169 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCCc2cccs2)cccc1[N+](=O)[O-] ZINC000537963346 1047647552 /nfs/dbraw/zinc/64/75/52/1047647552.db2.gz IKKQEWPUOPNSJI-ZDUSSCGKSA-N 1 0 304.415 4.248 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000539092112 1047736002 /nfs/dbraw/zinc/73/60/02/1047736002.db2.gz XAWAUZZSONQOKY-FZKQIMNGSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000477863549 1047755757 /nfs/dbraw/zinc/75/57/57/1047755757.db2.gz OYDNTGWSOIFVEY-RHSMWYFYSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cccc1[N+](=O)[O-] ZINC000478513016 1047793063 /nfs/dbraw/zinc/79/30/63/1047793063.db2.gz HGFVEIYOIMFCQO-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO O=[N+]([O-])c1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001174478145 1047851689 /nfs/dbraw/zinc/85/16/89/1047851689.db2.gz PMVZFBPEAMUEBG-UHFFFAOYSA-N 1 0 311.385 4.324 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC001197837430 1047885632 /nfs/dbraw/zinc/88/56/32/1047885632.db2.gz VRUSHHJYIGWJPJ-UHFFFAOYSA-N 1 0 324.424 4.440 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC2CC2)CC1 ZINC001183561227 1047942649 /nfs/dbraw/zinc/94/26/49/1047942649.db2.gz ORKFVPZJLKACIT-AWEZNQCLSA-N 1 0 302.418 4.086 20 5 DIBDRO CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001183571115 1047944033 /nfs/dbraw/zinc/94/40/33/1047944033.db2.gz FIDTUIAZNBFMFH-ZSZQSSIHSA-N 1 0 316.445 4.332 20 5 DIBDRO CC1(C)C[C@]1(C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001183571114 1047944861 /nfs/dbraw/zinc/94/48/61/1047944861.db2.gz FIDTUIAZNBFMFH-URLQWDBASA-N 1 0 316.445 4.332 20 5 DIBDRO C[C@@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001183780204 1047964769 /nfs/dbraw/zinc/96/47/69/1047964769.db2.gz URTPSRRCQSHLMI-NIKGAXFTSA-N 1 0 310.397 4.439 20 5 DIBDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000479833782 1047981910 /nfs/dbraw/zinc/98/19/10/1047981910.db2.gz UKPMNBFITJNOSF-GFCCVEGCSA-N 1 0 304.777 4.441 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)c(Cl)c1 ZINC001184386951 1048035649 /nfs/dbraw/zinc/03/56/49/1048035649.db2.gz FHAVJMWEWDYMFU-DZGCQCFKSA-N 1 0 308.809 4.164 20 5 DIBDRO CCC(CC)[C@@H](CNc1cc(C)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184739500 1048087961 /nfs/dbraw/zinc/08/79/61/1048087961.db2.gz GVVACHSVKJHGPW-GOSISDBHSA-N 1 0 319.449 4.216 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001184865442 1048100293 /nfs/dbraw/zinc/10/02/93/1048100293.db2.gz PVELXRUTHIDFGM-IYBDPMFKSA-N 1 0 319.449 4.073 20 5 DIBDRO CC(C)CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000776025165 1048102438 /nfs/dbraw/zinc/10/24/38/1048102438.db2.gz NJEOAAWGZJRQJN-IAGOWNOFSA-N 1 0 322.449 4.069 20 5 DIBDRO [NH3+]CCc1cccc(Nc2ccc3ccc4cccnc4c3n2)c1 ZINC001161079305 1048109131 /nfs/dbraw/zinc/10/91/31/1048109131.db2.gz SNFXLUUWIVZVFC-UHFFFAOYSA-N 1 0 314.392 4.028 20 5 DIBDRO C[C@H]([NH2+]CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480312700 1048118963 /nfs/dbraw/zinc/11/89/63/1048118963.db2.gz FSRKEJKIJRKGTR-NSHDSACASA-N 1 0 302.399 4.384 20 5 DIBDRO Cc1cccc(N(CC[NH3+])c2cccc3ccccc32)c1[N+](=O)[O-] ZINC001162005435 1048211339 /nfs/dbraw/zinc/21/13/39/1048211339.db2.gz LMOCQPQWSFDUJJ-UHFFFAOYSA-N 1 0 321.380 4.153 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000480673072 1048212652 /nfs/dbraw/zinc/21/26/52/1048212652.db2.gz QITAEXUWZQUQCH-ZWNOBZJWSA-N 1 0 304.312 4.224 20 5 DIBDRO CC(C)[PH+](CCNc1cc([N+](=O)[O-])cc(Cl)n1)C(C)C ZINC001162357428 1048266171 /nfs/dbraw/zinc/26/61/71/1048266171.db2.gz KHWFXZFHPSWMDJ-UHFFFAOYSA-N 1 0 317.757 4.354 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC001186174936 1048274315 /nfs/dbraw/zinc/27/43/15/1048274315.db2.gz JVLASVFGYZESSN-UHFFFAOYSA-N 1 0 319.449 4.360 20 5 DIBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001162908864 1048384477 /nfs/dbraw/zinc/38/44/77/1048384477.db2.gz ILJDVXQBTYIYAA-NSHDSACASA-N 1 0 313.332 4.006 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCc2sccc21 ZINC001201880482 1048394125 /nfs/dbraw/zinc/39/41/25/1048394125.db2.gz CYUVLDQNRPQRBG-OAHLLOKOSA-N 1 0 316.426 4.440 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481750453 1048478589 /nfs/dbraw/zinc/47/85/89/1048478589.db2.gz PQPUVCYBJLOZPG-CQSZACIVSA-N 1 0 308.381 4.203 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4cnn(C5CC5)c4)cc3[nH+]c2c1 ZINC001175962162 1048506278 /nfs/dbraw/zinc/50/62/78/1048506278.db2.gz UWBJYWYCZDWWJP-UHFFFAOYSA-N 1 0 315.380 4.245 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC001176036040 1048539025 /nfs/dbraw/zinc/53/90/25/1048539025.db2.gz HSAVGUMOOHWINM-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)c[nH]c2c1 ZINC000482113755 1048560904 /nfs/dbraw/zinc/56/09/04/1048560904.db2.gz LFNIMBZWDHMSHS-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000159543927 1048570464 /nfs/dbraw/zinc/57/04/64/1048570464.db2.gz GAGKLFBKDPIAAC-KPZWWZAWSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000482490147 1048616533 /nfs/dbraw/zinc/61/65/33/1048616533.db2.gz XFQFZCNBLOBLGH-AAEUAGOBSA-N 1 0 316.323 4.066 20 5 DIBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001176356990 1048658781 /nfs/dbraw/zinc/65/87/81/1048658781.db2.gz WQRXHLMYGUAQTR-KXBFYZLASA-N 1 0 310.397 4.363 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1F ZINC001190399408 1048728888 /nfs/dbraw/zinc/72/88/88/1048728888.db2.gz LYVLECCPTWCSRP-MRXNPFEDSA-N 1 0 306.381 4.279 20 5 DIBDRO COc1cc(C[N@H+](CC(C)C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC001190570602 1048757017 /nfs/dbraw/zinc/75/70/17/1048757017.db2.gz GREWXPFYMWYLTC-UHFFFAOYSA-N 1 0 324.396 4.143 20 5 DIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC001190604048 1048764880 /nfs/dbraw/zinc/76/48/80/1048764880.db2.gz BFEYKBJMMOIWPF-UHFFFAOYSA-N 1 0 316.376 4.189 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000483611772 1048824751 /nfs/dbraw/zinc/82/47/51/1048824751.db2.gz FGQVIONHBZCGDP-GXTWGEPZSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000483603924 1048825990 /nfs/dbraw/zinc/82/59/90/1048825990.db2.gz GVNHKDYKXIJXCQ-IUODEOHRSA-N 1 0 316.401 4.477 20 5 DIBDRO CSc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483849730 1048867034 /nfs/dbraw/zinc/86/70/34/1048867034.db2.gz ALGVGDDBBKXSKB-NSHDSACASA-N 1 0 320.389 4.307 20 5 DIBDRO Cc1c(Cl)cccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001177328486 1048871677 /nfs/dbraw/zinc/87/16/77/1048871677.db2.gz OZAQXNZCRKZSDG-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000484127112 1048903185 /nfs/dbraw/zinc/90/31/85/1048903185.db2.gz HLMPKRLMDMZDEO-CYBMUJFWSA-N 1 0 314.360 4.116 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CC(F)F ZINC001203511033 1048914022 /nfs/dbraw/zinc/91/40/22/1048914022.db2.gz JLIXFUIWCDBGKZ-GHXNOFRVSA-N 1 0 312.360 4.269 20 5 DIBDRO CC1(C)C[C@]1(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001203511160 1048914179 /nfs/dbraw/zinc/91/41/79/1048914179.db2.gz OLYBHKDGHZHTBT-GOSISDBHSA-N 1 0 314.385 4.381 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CC(F)F ZINC001203511034 1048914669 /nfs/dbraw/zinc/91/46/69/1048914669.db2.gz JLIXFUIWCDBGKZ-KPKJPENVSA-N 1 0 312.360 4.269 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2CCC2)o1 ZINC001203553968 1048926096 /nfs/dbraw/zinc/92/60/96/1048926096.db2.gz SHLBXHSJKBARGT-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001203559233 1048928338 /nfs/dbraw/zinc/92/83/38/1048928338.db2.gz FWZZLGJKIJRCMF-ITKZLYELSA-N 1 0 318.323 4.237 20 5 DIBDRO Cc1ccc2cc(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC001203559577 1048928843 /nfs/dbraw/zinc/92/88/43/1048928843.db2.gz NHMUGTHUQYAXRX-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000484480400 1048949628 /nfs/dbraw/zinc/94/96/28/1048949628.db2.gz NMEVLCBEQZVMRP-IVMMDQJWSA-N 1 0 308.447 4.310 20 5 DIBDRO CC(C)CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001191495848 1048952395 /nfs/dbraw/zinc/95/23/95/1048952395.db2.gz OFKPLUAEDNEWKP-UHFFFAOYSA-N 1 0 320.433 4.122 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCc2ccccc21 ZINC001177855339 1048953268 /nfs/dbraw/zinc/95/32/68/1048953268.db2.gz SCEHBVOVROOWPL-HAZIXKIPSA-N 1 0 322.408 4.318 20 5 DIBDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001191541979 1048959948 /nfs/dbraw/zinc/95/99/48/1048959948.db2.gz WMZGMRQPHRCULC-LJQANCHMSA-N 1 0 310.397 4.350 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](CC2CCC(F)(F)CC2)C2CC2)c1 ZINC001191683629 1048984865 /nfs/dbraw/zinc/98/48/65/1048984865.db2.gz ZODOAWQFLBQFPT-UHFFFAOYSA-N 1 0 324.371 4.385 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001178519161 1049049663 /nfs/dbraw/zinc/04/96/63/1049049663.db2.gz MEBFKDCRBMRBAJ-MJGOQNOKSA-N 1 0 324.424 4.404 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001178519160 1049050597 /nfs/dbraw/zinc/05/05/97/1049050597.db2.gz MEBFKDCRBMRBAJ-IEBWSBKVSA-N 1 0 324.424 4.404 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001178519159 1049050639 /nfs/dbraw/zinc/05/06/39/1049050639.db2.gz MEBFKDCRBMRBAJ-HKUYNNGSSA-N 1 0 324.424 4.404 20 5 DIBDRO CC/C=C/C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001178800866 1049090698 /nfs/dbraw/zinc/09/06/98/1049090698.db2.gz MAQPQWPWCXNFEM-ZZXKWVIFSA-N 1 0 302.399 4.379 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCC[C@@H]1CC ZINC001178824288 1049096249 /nfs/dbraw/zinc/09/62/49/1049096249.db2.gz XWORSLWUEJGFNX-LSDHHAIUSA-N 1 0 320.433 4.300 20 5 DIBDRO C[C@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC=CCC1 ZINC001178931179 1049106162 /nfs/dbraw/zinc/10/61/62/1049106162.db2.gz LLXGBUVXKNXPMK-SFHVURJKSA-N 1 0 312.369 4.443 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC001179002776 1049120971 /nfs/dbraw/zinc/12/09/71/1049120971.db2.gz PXVGOICXUIIAOP-ILWALBHWSA-N 1 0 300.402 4.024 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000857083280 1049127319 /nfs/dbraw/zinc/12/73/19/1049127319.db2.gz WCDWOBXTSTXGGE-WDEREUQCSA-N 1 0 317.216 4.138 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC001192814603 1049139305 /nfs/dbraw/zinc/13/93/05/1049139305.db2.gz SRGLSKGJYAHVJC-GOSISDBHSA-N 1 0 321.380 4.384 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc2scnc2c1)c1ccccc1[N+](=O)[O-] ZINC001179512039 1049177322 /nfs/dbraw/zinc/17/73/22/1049177322.db2.gz MBRMOXPGTKKMGG-LLVKDONJSA-N 1 0 313.382 4.055 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173368902 1049188935 /nfs/dbraw/zinc/18/89/35/1049188935.db2.gz JXAREXWFQKJUJC-GUYCJALGSA-N 1 0 312.369 4.159 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001204584334 1049194961 /nfs/dbraw/zinc/19/49/61/1049194961.db2.gz ABEHIROHFDQOFF-APEZIOSESA-N 1 0 322.408 4.488 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(CC(C)C)CC1 ZINC001204640726 1049209302 /nfs/dbraw/zinc/20/93/02/1049209302.db2.gz SRVZSHAFJURDIK-UHFFFAOYSA-N 1 0 304.434 4.470 20 5 DIBDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001179838013 1049213136 /nfs/dbraw/zinc/21/31/36/1049213136.db2.gz HYFZSTZHSPIVHD-JKSUJKDBSA-N 1 0 316.426 4.457 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCc1ccccc1F ZINC001204737797 1049246526 /nfs/dbraw/zinc/24/65/26/1049246526.db2.gz YZXSFHXWBSXSHY-UHFFFAOYSA-N 1 0 316.376 4.025 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC001180072322 1049274788 /nfs/dbraw/zinc/27/47/88/1049274788.db2.gz RBNPQXDLHHZZFS-INIZCTEOSA-N 1 0 304.434 4.470 20 5 DIBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001204890503 1049301411 /nfs/dbraw/zinc/30/14/11/1049301411.db2.gz NYAGRHDGNKHMGN-SNVBAGLBSA-N 1 0 304.312 4.234 20 5 DIBDRO CC(C)[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001180165803 1049305463 /nfs/dbraw/zinc/30/54/63/1049305463.db2.gz JTXQNZZKDKHZBH-VIFPVBQESA-N 1 0 305.205 4.378 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC001180310253 1049328989 /nfs/dbraw/zinc/32/89/89/1049328989.db2.gz BNSNULQWRRLVRV-HUUCEWRRSA-N 1 0 318.417 4.218 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001180317320 1049330030 /nfs/dbraw/zinc/33/00/30/1049330030.db2.gz DKBMLSWRFTXCLT-JOQOYGCGSA-N 1 0 302.418 4.222 20 5 DIBDRO C[N@H+](CCCCc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC001194261251 1049352479 /nfs/dbraw/zinc/35/24/79/1049352479.db2.gz HMONJEWSBYHEBM-UHFFFAOYSA-N 1 0 312.413 4.092 20 5 DIBDRO CCC[NH+](CCC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001205052836 1049356635 /nfs/dbraw/zinc/35/66/35/1049356635.db2.gz MQNXXVZYVXDLSR-UHFFFAOYSA-N 1 0 304.312 4.236 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3CC4(CCC4)C3)C2)cc1 ZINC001194478404 1049380496 /nfs/dbraw/zinc/38/04/96/1049380496.db2.gz VAUVVYASCJFBJL-KRWDZBQOSA-N 1 0 314.429 4.355 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001180666242 1049395535 /nfs/dbraw/zinc/39/55/35/1049395535.db2.gz URVBTMPCIQNMDX-HNNXBMFYSA-N 1 0 310.397 4.150 20 5 DIBDRO Cc1c(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001180858178 1049411384 /nfs/dbraw/zinc/41/13/84/1049411384.db2.gz RQOZEXGOHCVEGM-IEBWSBKVSA-N 1 0 310.397 4.187 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001205431956 1049468694 /nfs/dbraw/zinc/46/86/94/1049468694.db2.gz XNXKGYRKBUYKFE-GOEBONIOSA-N 1 0 304.434 4.474 20 5 DIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[C@H](C)C1 ZINC001195179675 1049483745 /nfs/dbraw/zinc/48/37/45/1049483745.db2.gz OHCPSMLATJZGAX-RWMBFGLXSA-N 1 0 317.389 4.040 20 5 DIBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001195428431 1049532100 /nfs/dbraw/zinc/53/21/00/1049532100.db2.gz XARPSQJWWBKGKG-WBVHZDCISA-N 1 0 302.418 4.243 20 5 DIBDRO CCC(CC)[N@H+](CCOC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001204314076 1049553423 /nfs/dbraw/zinc/55/34/23/1049553423.db2.gz NGIHPJNISMNQHQ-QINSGFPZSA-N 1 0 320.433 4.135 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC001205788556 1049564408 /nfs/dbraw/zinc/56/44/08/1049564408.db2.gz CMAHNZCQLWJANK-YJBOKZPZSA-N 1 0 304.434 4.324 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001205875419 1049590136 /nfs/dbraw/zinc/59/01/36/1049590136.db2.gz JSOFFRDVTQLDSE-SHDPZIPESA-N 1 0 312.413 4.119 20 5 DIBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccccc1F)CC1CC1 ZINC001196238294 1049635587 /nfs/dbraw/zinc/63/55/87/1049635587.db2.gz QQESZDNRVBZPLB-UHFFFAOYSA-N 1 0 314.360 4.146 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000488388521 1049644937 /nfs/dbraw/zinc/64/49/37/1049644937.db2.gz WNHWWCACFUEEPA-OAHLLOKOSA-N 1 0 306.406 4.004 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488447533 1049656502 /nfs/dbraw/zinc/65/65/02/1049656502.db2.gz WPRCJUTXVJDGIB-JGGQBBKZSA-N 1 0 308.447 4.084 20 5 DIBDRO C[NH+](C)CCn1cc(-c2ccc3c(ccc4ccccc43)c2)cn1 ZINC001206359592 1049720567 /nfs/dbraw/zinc/72/05/67/1049720567.db2.gz PIDZKDNKZHVGTA-UHFFFAOYSA-N 1 0 315.420 4.418 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001206516644 1049748305 /nfs/dbraw/zinc/74/83/05/1049748305.db2.gz ARUWWFRWZWBGOD-QGZVFWFLSA-N 1 0 316.788 4.334 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489854287 1049785354 /nfs/dbraw/zinc/78/53/54/1049785354.db2.gz GJOMGIPMCRXCGZ-ZFWWWQNUSA-N 1 0 314.360 4.284 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCOc1ccccc1 ZINC000490097779 1049798791 /nfs/dbraw/zinc/79/87/91/1049798791.db2.gz BCMMLSGFNOUMKD-HNNXBMFYSA-N 1 0 314.385 4.057 20 5 DIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCCC12CC2 ZINC001207067776 1049830041 /nfs/dbraw/zinc/83/00/41/1049830041.db2.gz YELPCSRPROPDDL-ZDUSSCGKSA-N 1 0 314.307 4.036 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)CCc2ccsc2)cc1[N+](=O)[O-] ZINC001207152219 1049845521 /nfs/dbraw/zinc/84/55/21/1049845521.db2.gz ZPZVIDTXDMEONM-CYBMUJFWSA-N 1 0 304.415 4.076 20 5 DIBDRO Cc1cccc(CC[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001207152052 1049845830 /nfs/dbraw/zinc/84/58/30/1049845830.db2.gz XWHIZEBZJBOTHO-INIZCTEOSA-N 1 0 312.413 4.323 20 5 DIBDRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001207535718 1049906077 /nfs/dbraw/zinc/90/60/77/1049906077.db2.gz LTCHASFURGRKMY-KBPBESRZSA-N 1 0 316.376 4.406 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000588231382 1049976886 /nfs/dbraw/zinc/97/68/86/1049976886.db2.gz VZLPXFSOXXMVCC-GDBMZVCRSA-N 1 0 320.408 4.178 20 5 DIBDRO CC(C)([NH2+]Cc1ccccc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000589938063 1050066704 /nfs/dbraw/zinc/06/67/04/1050066704.db2.gz UJDFAKPKCGTIOD-UHFFFAOYSA-N 1 0 310.397 4.497 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)c(F)c1 ZINC000590067498 1050076756 /nfs/dbraw/zinc/07/67/56/1050076756.db2.gz ILOLZKOUAZNYIK-KRWDZBQOSA-N 1 0 314.360 4.017 20 5 DIBDRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000590259693 1050084382 /nfs/dbraw/zinc/08/43/82/1050084382.db2.gz URTPSRRCQSHLMI-CCKFTAQKSA-N 1 0 310.397 4.439 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000734508574 1050279667 /nfs/dbraw/zinc/27/96/67/1050279667.db2.gz AYWWCQVCYUFNOZ-AWEZNQCLSA-N 1 0 316.376 4.153 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000592373481 1050290042 /nfs/dbraw/zinc/29/00/42/1050290042.db2.gz SSSWUVQPHRZSAK-JEUJKCLLSA-N 1 0 308.381 4.001 20 5 DIBDRO C[C@H]([NH2+]C1(c2cccc(F)c2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000592394481 1050291883 /nfs/dbraw/zinc/29/18/83/1050291883.db2.gz OSJLVFHHNSQNTA-ZDUSSCGKSA-N 1 0 314.360 4.464 20 5 DIBDRO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000592392383 1050291965 /nfs/dbraw/zinc/29/19/65/1050291965.db2.gz PQERVXDXNLNBKR-ABAIWWIYSA-N 1 0 312.360 4.243 20 5 DIBDRO C[NH2+]CC1CN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210561919 1050294738 /nfs/dbraw/zinc/29/47/38/1050294738.db2.gz XVRCAHFOSVLOOO-UHFFFAOYSA-N 1 0 324.855 4.298 20 5 DIBDRO C[N@H+](CCc1ccccc1F)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734838768 1050323824 /nfs/dbraw/zinc/32/38/24/1050323824.db2.gz RLVPHBVIHBYCLF-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO CC[C@H]([NH2+]Cc1c(C)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000766213979 1050373191 /nfs/dbraw/zinc/37/31/91/1050373191.db2.gz UPRKBVLBXXYWKI-KRWDZBQOSA-N 1 0 302.349 4.283 20 5 DIBDRO CC[C@@H]([NH2+]Cc1c(C)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000766213981 1050373660 /nfs/dbraw/zinc/37/36/60/1050373660.db2.gz UPRKBVLBXXYWKI-QGZVFWFLSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583949 1050496425 /nfs/dbraw/zinc/49/64/25/1050496425.db2.gz RTHQUQPEAJGYLN-MSOLQXFVSA-N 1 0 308.381 4.168 20 5 DIBDRO CSc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594505315 1050521534 /nfs/dbraw/zinc/52/15/34/1050521534.db2.gz QJVZZENAIQSXPN-INIZCTEOSA-N 1 0 314.410 4.094 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000594501005 1050521609 /nfs/dbraw/zinc/52/16/09/1050521609.db2.gz CLZVDLJGAAOZFK-ZWKOTPCHSA-N 1 0 308.381 4.168 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000594500989 1050521810 /nfs/dbraw/zinc/52/18/10/1050521810.db2.gz CLZVDLJGAAOZFK-MSOLQXFVSA-N 1 0 308.381 4.168 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000594516147 1050525993 /nfs/dbraw/zinc/52/59/93/1050525993.db2.gz UFLQIEBKCLKKEE-KDOFPFPSSA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595030214 1050598159 /nfs/dbraw/zinc/59/81/59/1050598159.db2.gz YWTCRBLMCUNTDX-GFCCVEGCSA-N 1 0 314.376 4.187 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000595038581 1050599873 /nfs/dbraw/zinc/59/98/73/1050599873.db2.gz LPXKAGPTVPHPSW-MNOVXSKESA-N 1 0 306.387 4.077 20 5 DIBDRO CC[C@H](CC(F)F)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595386708 1050630318 /nfs/dbraw/zinc/63/03/18/1050630318.db2.gz LVJWCLCPHFRIGA-GFCCVEGCSA-N 1 0 312.360 4.241 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000595409953 1050630892 /nfs/dbraw/zinc/63/08/92/1050630892.db2.gz HQNOHZLMXGUTOX-HNNXBMFYSA-N 1 0 306.362 4.036 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000595419468 1050632873 /nfs/dbraw/zinc/63/28/73/1050632873.db2.gz YHSUNKSNTUKHQI-KRWDZBQOSA-N 1 0 314.360 4.365 20 5 DIBDRO CC[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])CC(F)F ZINC000595508943 1050636812 /nfs/dbraw/zinc/63/68/12/1050636812.db2.gz CTEGSSSONNANFU-LLVKDONJSA-N 1 0 300.349 4.101 20 5 DIBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595505411 1050637283 /nfs/dbraw/zinc/63/72/83/1050637283.db2.gz RCQWPVZQMBYXQK-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO Cc1ccccc1C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000595567701 1050640584 /nfs/dbraw/zinc/64/05/84/1050640584.db2.gz MMAXOTAELQKPQT-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C[C@]1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000846031439 1050650459 /nfs/dbraw/zinc/65/04/59/1050650459.db2.gz CAJXDKAZEKBJNA-STQMWFEESA-N 1 0 321.179 4.043 20 5 DIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000593083779 1050653275 /nfs/dbraw/zinc/65/32/75/1050653275.db2.gz XXXIQKDXLYCOON-UHFFFAOYSA-N 1 0 314.307 4.036 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]1c1ccc(F)cc1 ZINC000595706294 1050663283 /nfs/dbraw/zinc/66/32/83/1050663283.db2.gz YIVRWSBZAKLOHF-MLGOLLRUSA-N 1 0 300.333 4.242 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846105061 1050672688 /nfs/dbraw/zinc/67/26/88/1050672688.db2.gz POBGKBOUKSNSOA-WDBUWWRISA-N 1 0 322.355 4.119 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cccc1[N+](=O)[O-] ZINC000846186318 1050690349 /nfs/dbraw/zinc/69/03/49/1050690349.db2.gz BBALIJMWEXXFQR-TUKIKUTGSA-N 1 0 314.788 4.259 20 5 DIBDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000788487516 1050690455 /nfs/dbraw/zinc/69/04/55/1050690455.db2.gz APVZQIZRFVZIJW-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846187480 1050690661 /nfs/dbraw/zinc/69/06/61/1050690661.db2.gz GINADBNUVVSQGC-TUKIKUTGSA-N 1 0 314.788 4.259 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788502927 1050693011 /nfs/dbraw/zinc/69/30/11/1050693011.db2.gz LJHQOSKEKFHBLJ-SUMWQHHRSA-N 1 0 313.401 4.369 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)c1cccc(O)c1 ZINC000788483800 1050698326 /nfs/dbraw/zinc/69/83/26/1050698326.db2.gz WVCPXMRIGBORTG-GFCCVEGCSA-N 1 0 318.348 4.023 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)c1cccc(O)c1 ZINC000788483802 1050699170 /nfs/dbraw/zinc/69/91/70/1050699170.db2.gz WVCPXMRIGBORTG-LBPRGKRZSA-N 1 0 318.348 4.023 20 5 DIBDRO CCC[C@H](NCc1cc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000169250864 1050704899 /nfs/dbraw/zinc/70/48/99/1050704899.db2.gz LMLKWUWZNPCUGW-INIZCTEOSA-N 1 0 317.389 4.337 20 5 DIBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788576188 1050708250 /nfs/dbraw/zinc/70/82/50/1050708250.db2.gz YGFFTUCOGIEMDS-KBPBESRZSA-N 1 0 313.401 4.021 20 5 DIBDRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788596678 1050711426 /nfs/dbraw/zinc/71/14/26/1050711426.db2.gz ZZKQMQZAPHZJFQ-KBPBESRZSA-N 1 0 313.401 4.206 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000788645879 1050715517 /nfs/dbraw/zinc/71/55/17/1050715517.db2.gz ZOTCHFSWMKUKQT-CXAGYDPISA-N 1 0 313.401 4.287 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc[nH]1 ZINC000773124350 1051070704 /nfs/dbraw/zinc/07/07/04/1051070704.db2.gz XQNNKJFMXMFFQT-CHWSQXEVSA-N 1 0 319.430 4.144 20 5 DIBDRO C[C@H](Cc1cccs1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036992791 1051106072 /nfs/dbraw/zinc/10/60/72/1051106072.db2.gz NFKHORBEOXKNNE-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177034 1051113002 /nfs/dbraw/zinc/11/30/02/1051113002.db2.gz LVDDCTIDOPPRPS-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC=C(c3ccccc3)C2)cc1F ZINC000792932555 1051231980 /nfs/dbraw/zinc/23/19/80/1051231980.db2.gz BVYUVSJKZBEFOS-UHFFFAOYSA-N 1 0 312.344 4.023 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000746049234 1051310672 /nfs/dbraw/zinc/31/06/72/1051310672.db2.gz NGHBSCSJDBAYND-STQMWFEESA-N 1 0 302.349 4.188 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001168958055 1051478965 /nfs/dbraw/zinc/47/89/65/1051478965.db2.gz LIPMJCNMNRGUHV-JBLDHEPKSA-N 1 0 317.216 4.089 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001168958056 1051479281 /nfs/dbraw/zinc/47/92/81/1051479281.db2.gz LIPMJCNMNRGUHV-NHCYSSNCSA-N 1 0 317.216 4.089 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCCCCC2)C1 ZINC001168967570 1051480712 /nfs/dbraw/zinc/48/07/12/1051480712.db2.gz QXDLVQGWTHUEBS-FUHWJXTLSA-N 1 0 316.445 4.271 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CCC2)c2ccc(F)cc2)C1 ZINC001168998028 1051484439 /nfs/dbraw/zinc/48/44/39/1051484439.db2.gz HJEDHNQYPAZQGM-JLSDUUJJSA-N 1 0 320.408 4.092 20 5 DIBDRO C[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006867 1051486945 /nfs/dbraw/zinc/48/69/45/1051486945.db2.gz JXVULWMVWKDHPI-APWZRJJASA-N 1 0 324.424 4.153 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+](C2CCCCC2)C2CCCCC2)C1 ZINC001169007653 1051487370 /nfs/dbraw/zinc/48/73/70/1051487370.db2.gz OXIOANXJAGETIR-QAPCUYQASA-N 1 0 308.466 4.399 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CCCCC2)C1 ZINC001168988429 1051490900 /nfs/dbraw/zinc/49/09/00/1051490900.db2.gz SDFXHGWPFJMKDH-YOEHRIQHSA-N 1 0 320.408 4.020 20 5 DIBDRO Cc1ccsc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896847 1051548834 /nfs/dbraw/zinc/54/88/34/1051548834.db2.gz SNWUNYUNUUNNEK-OAHLLOKOSA-N 1 0 316.426 4.002 20 5 DIBDRO CCCC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172903032 1051551315 /nfs/dbraw/zinc/55/13/15/1051551315.db2.gz DETZGSIXKXNQJL-MRXNPFEDSA-N 1 0 302.418 4.155 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CCC3)CC1)CC2 ZINC001172902302 1051551529 /nfs/dbraw/zinc/55/15/29/1051551529.db2.gz AIUIAHLKUFPPCV-KRWDZBQOSA-N 1 0 314.429 4.108 20 5 DIBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904707 1051552139 /nfs/dbraw/zinc/55/21/39/1051552139.db2.gz ABGYPKCDITVGPH-LJQANCHMSA-N 1 0 324.424 4.017 20 5 DIBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902101 1051552191 /nfs/dbraw/zinc/55/21/91/1051552191.db2.gz VERUMIDWBBVUBG-JJRVBVJISA-N 1 0 304.434 4.257 20 5 DIBDRO C[C@]1(F)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907469 1051554505 /nfs/dbraw/zinc/55/45/05/1051554505.db2.gz FHECJJHGUNJEKK-AEFFLSMTSA-N 1 0 320.408 4.056 20 5 DIBDRO Cc1csc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172895204 1051568726 /nfs/dbraw/zinc/56/87/26/1051568726.db2.gz AUIHWWZZSVBVTP-HNNXBMFYSA-N 1 0 316.426 4.002 20 5 DIBDRO CC(C)([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172895178 1051569290 /nfs/dbraw/zinc/56/92/90/1051569290.db2.gz ACRRCPMDEDWAJQ-SFHVURJKSA-N 1 0 324.424 4.367 20 5 DIBDRO CC[C@@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914188 1051570848 /nfs/dbraw/zinc/57/08/48/1051570848.db2.gz DSSUQMAUWRJXSY-SJORKVTESA-N 1 0 302.418 4.107 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCC13CCC3)CC2 ZINC001172909617 1051580026 /nfs/dbraw/zinc/58/00/26/1051580026.db2.gz UBKDQIYRSQZPDQ-AEFFLSMTSA-N 1 0 314.429 4.155 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCC13CCC3)CC2 ZINC001172909618 1051580106 /nfs/dbraw/zinc/58/01/06/1051580106.db2.gz UBKDQIYRSQZPDQ-FUHWJXTLSA-N 1 0 314.429 4.155 20 5 DIBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761522840 1051584256 /nfs/dbraw/zinc/58/42/56/1051584256.db2.gz LZKICZUVEISMBQ-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761520634 1051587865 /nfs/dbraw/zinc/58/78/65/1051587865.db2.gz CWASKGIWRKJLAE-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1Cl ZINC000761521052 1051588139 /nfs/dbraw/zinc/58/81/39/1051588139.db2.gz SSGKYRXKYKJWKY-UHFFFAOYSA-N 1 0 302.761 4.027 20 5 DIBDRO Cc1cccc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528163 1051588982 /nfs/dbraw/zinc/58/89/82/1051588982.db2.gz MFZUKESFJNFAKL-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000761532252 1051589256 /nfs/dbraw/zinc/58/92/56/1051589256.db2.gz DBBYUZHCXYUSME-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001173217430 1051634559 /nfs/dbraw/zinc/63/45/59/1051634559.db2.gz UPVPSXOAJIIASI-IFXJQAMLSA-N 1 0 310.397 4.193 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001173216549 1051634976 /nfs/dbraw/zinc/63/49/76/1051634976.db2.gz CROTULVPUBOFOM-ZIAGYGMSSA-N 1 0 316.376 4.324 20 5 DIBDRO Cc1cc(F)cc(C)c1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218652 1051635652 /nfs/dbraw/zinc/63/56/52/1051635652.db2.gz RJBGSUFQUPWOAL-AWEZNQCLSA-N 1 0 316.376 4.072 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCC2)CC1 ZINC001173223005 1051636694 /nfs/dbraw/zinc/63/66/94/1051636694.db2.gz WDXYHROVAARQBB-OAHLLOKOSA-N 1 0 302.418 4.182 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001173223598 1051636836 /nfs/dbraw/zinc/63/68/36/1051636836.db2.gz IRGCJGQPZRVGET-NEPJUHHUSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccccc2)CC1 ZINC001173220959 1051637440 /nfs/dbraw/zinc/63/74/40/1051637440.db2.gz DNMLDYLGLCMAOL-INIZCTEOSA-N 1 0 324.424 4.405 20 5 DIBDRO C[C@@H]([NH3+])c1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173228268 1051638338 /nfs/dbraw/zinc/63/83/38/1051638338.db2.gz ILMGKBHKKXDUPF-UONOGXRCSA-N 1 0 323.396 4.373 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173226780 1051638746 /nfs/dbraw/zinc/63/87/46/1051638746.db2.gz ZTOFAYUKLVIFDT-LSDHHAIUSA-N 1 0 312.413 4.439 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173226779 1051639149 /nfs/dbraw/zinc/63/91/49/1051639149.db2.gz ZTOFAYUKLVIFDT-HUUCEWRRSA-N 1 0 312.413 4.439 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001173227552 1051639208 /nfs/dbraw/zinc/63/92/08/1051639208.db2.gz GTVWZTZAVQETPA-KBPBESRZSA-N 1 0 316.376 4.324 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001173233947 1051640512 /nfs/dbraw/zinc/64/05/12/1051640512.db2.gz LYNSZZNPNLPNNV-NWDGAFQWSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001173234236 1051640825 /nfs/dbraw/zinc/64/08/25/1051640825.db2.gz QHUQEBMICCKAGP-GDBMZVCRSA-N 1 0 320.408 4.130 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001173235415 1051640989 /nfs/dbraw/zinc/64/09/89/1051640989.db2.gz SRTHHOQZPBIGSB-UGSOOPFHSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC001173234525 1051641324 /nfs/dbraw/zinc/64/13/24/1051641324.db2.gz PDOXDWBGXASGKT-PJIJBLCYSA-N 1 0 310.397 4.364 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001173231857 1051641345 /nfs/dbraw/zinc/64/13/45/1051641345.db2.gz OANFVBDVLBAIAD-KYJSFNMBSA-N 1 0 302.418 4.180 20 5 DIBDRO C[C@@H]([NH3+])c1ccc2c(ccn2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173209559 1051647453 /nfs/dbraw/zinc/64/74/53/1051647453.db2.gz CZWIHDTWYFJFBP-ZIAGYGMSSA-N 1 0 323.396 4.373 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001173213804 1051649120 /nfs/dbraw/zinc/64/91/20/1051649120.db2.gz KOELHTQHPOHPGT-SCLBCKFNSA-N 1 0 316.376 4.406 20 5 DIBDRO Cc1ccc(CCC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173210784 1051649428 /nfs/dbraw/zinc/64/94/28/1051649428.db2.gz NCMGTZOYZOHFPZ-ZDUSSCGKSA-N 1 0 318.442 4.118 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)ccc1F ZINC001173214794 1051651343 /nfs/dbraw/zinc/65/13/43/1051651343.db2.gz QGTOYHCUXHEYBK-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc(C)c1[N+](=O)[O-] ZINC001169699054 1051676893 /nfs/dbraw/zinc/67/68/93/1051676893.db2.gz TYNZFOSSHKOLNQ-OAHLLOKOSA-N 1 0 311.385 4.143 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000609195432 1051883429 /nfs/dbraw/zinc/88/34/29/1051883429.db2.gz SLQKDJPPBJHFJQ-LJQANCHMSA-N 1 0 310.397 4.268 20 5 DIBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000609204415 1051891703 /nfs/dbraw/zinc/89/17/03/1051891703.db2.gz NAVLUSGRXWGPPQ-STQMWFEESA-N 1 0 306.406 4.002 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(C3CC3)CC2)c2ccccc2)c1 ZINC000494733851 1052023038 /nfs/dbraw/zinc/02/30/38/1052023038.db2.gz ZGFKRHADNVGVOD-LJQANCHMSA-N 1 0 322.408 4.464 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]CC1=CCCOC1 ZINC000808430523 1052031414 /nfs/dbraw/zinc/03/14/14/1052031414.db2.gz QLRQCACIWARMDK-UHFFFAOYSA-N 1 0 303.405 4.429 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001217803565 1052144555 /nfs/dbraw/zinc/14/45/55/1052144555.db2.gz FHSLIEBFURMXPP-CBGDNZLLSA-N 1 0 303.405 4.260 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(C3CCC3)cc2)cc1[N+](=O)[O-] ZINC000494844248 1052148993 /nfs/dbraw/zinc/14/89/93/1052148993.db2.gz GYNDKVLCHMTEAH-UHFFFAOYSA-N 1 0 310.397 4.461 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2CCCC[NH2+]C2)c2ccccc12 ZINC001217970653 1052178470 /nfs/dbraw/zinc/17/84/70/1052178470.db2.gz OSTZGBQEGIWJAC-CQSZACIVSA-N 1 0 307.393 4.220 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001217989016 1052180974 /nfs/dbraw/zinc/18/09/74/1052180974.db2.gz LVLBKTUDLMYIAU-LIRRHRJNSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001217989542 1052181433 /nfs/dbraw/zinc/18/14/33/1052181433.db2.gz MQRNCLBJGRTQBM-LIRRHRJNSA-N 1 0 321.420 4.466 20 5 DIBDRO F[C@H]1C[NH2+]C[C@H]1Oc1ccc2ccc3cccc4ccc1c2c34 ZINC001218000084 1052184143 /nfs/dbraw/zinc/18/41/43/1052184143.db2.gz QSMHEFPBRWMYFJ-FUHWJXTLSA-N 1 0 305.352 4.273 20 5 DIBDRO F[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001218019046 1052184853 /nfs/dbraw/zinc/18/48/53/1052184853.db2.gz OJPFYSKHZZXMJL-PMACEKPBSA-N 1 0 309.384 4.462 20 5 DIBDRO F[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001218019049 1052184982 /nfs/dbraw/zinc/18/49/82/1052184982.db2.gz OJPFYSKHZZXMJL-WOJBJXKFSA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218028321 1052186767 /nfs/dbraw/zinc/18/67/67/1052186767.db2.gz FGYLGVINYAPMFI-AUUYWEPGSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000495017994 1052198912 /nfs/dbraw/zinc/19/89/12/1052198912.db2.gz MMWNSFNSMUEALK-CHWSQXEVSA-N 1 0 312.360 4.461 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc12 ZINC001218185963 1052204776 /nfs/dbraw/zinc/20/47/76/1052204776.db2.gz JXZFGDIXGVSZSC-QDMKHBRRSA-N 1 0 319.404 4.360 20 5 DIBDRO C[NH2+][C@H]1CC[C@H](Oc2nc3ccccc3c3ccccc32)CC1 ZINC001218186491 1052204902 /nfs/dbraw/zinc/20/49/02/1052204902.db2.gz BBQKKUCLMHQTDE-SHTZXODSSA-N 1 0 306.409 4.297 20 5 DIBDRO c1ccc2c(c1)nc(OC1CCC3(C[NH2+]C3)CC1)c1ccccc21 ZINC001218261928 1052215797 /nfs/dbraw/zinc/21/57/97/1052215797.db2.gz ALOZBJBFTVDAAE-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO CC1(C)C[NH2+]CC[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218317636 1052224359 /nfs/dbraw/zinc/22/43/59/1052224359.db2.gz SYZQDTVTGGAPFG-GOSISDBHSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218414387 1052237651 /nfs/dbraw/zinc/23/76/51/1052237651.db2.gz KLVIGOURIPNWLN-SCLBCKFNSA-N 1 0 307.393 4.075 20 5 DIBDRO c1ccc2cc3cc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@H]45)ccc3cc2c1 ZINC001218467474 1052242512 /nfs/dbraw/zinc/24/25/12/1052242512.db2.gz PCLPEMQZISCFHO-JRGCBEDISA-N 1 0 303.405 4.370 20 5 DIBDRO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000495188422 1052247793 /nfs/dbraw/zinc/24/77/93/1052247793.db2.gz ARVADWLDKLWVPE-GFCCVEGCSA-N 1 0 322.405 4.249 20 5 DIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000495401936 1052336180 /nfs/dbraw/zinc/33/61/80/1052336180.db2.gz OYAPOYPFDDWDKC-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO CC(C)[NH+](CCSCc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000762205703 1052338221 /nfs/dbraw/zinc/33/82/21/1052338221.db2.gz MTLDONPZIJMFPK-UHFFFAOYSA-N 1 0 314.426 4.086 20 5 DIBDRO Cc1c(C[NH2+][C@H](Cc2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000495439468 1052352287 /nfs/dbraw/zinc/35/22/87/1052352287.db2.gz MDNHWGXCXVOFGU-GOSISDBHSA-N 1 0 310.397 4.014 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc(C)c1F ZINC000089512074 1052376377 /nfs/dbraw/zinc/37/63/77/1052376377.db2.gz UTRJIPMUOSRMKQ-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000488019922 1052478905 /nfs/dbraw/zinc/47/89/05/1052478905.db2.gz ZNXCHLOGPJOWIZ-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO Clc1c2ccccc2c(CN2CC3(C[NH2+]C3)C2)c2ccccc12 ZINC001222465273 1052502782 /nfs/dbraw/zinc/50/27/82/1052502782.db2.gz MISMULNGCJODPD-UHFFFAOYSA-N 1 0 322.839 4.052 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000193901935 1052510457 /nfs/dbraw/zinc/51/04/57/1052510457.db2.gz WREINBRPUHGLTJ-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000193900930 1052510491 /nfs/dbraw/zinc/51/04/91/1052510491.db2.gz ZHSOPGIUEYCQEK-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000194414939 1052543090 /nfs/dbraw/zinc/54/30/90/1052543090.db2.gz RVYXHSCKYKTMOF-IBGZPJMESA-N 1 0 322.364 4.110 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000917063762 1052688455 /nfs/dbraw/zinc/68/84/55/1052688455.db2.gz JAQQPPPPZIPLJL-QGZVFWFLSA-N 1 0 320.339 4.360 20 5 DIBDRO Cc1ccc(C2=CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000917076247 1052691364 /nfs/dbraw/zinc/69/13/64/1052691364.db2.gz HVFQIWQBJKMAOP-UHFFFAOYSA-N 1 0 322.408 4.235 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cccc([N+](=O)[O-])c1 ZINC000154610446 1052773255 /nfs/dbraw/zinc/77/32/55/1052773255.db2.gz BJBQJLXWFNLXLF-BMLIUANNSA-N 1 0 318.323 4.211 20 5 DIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609288292 1052841823 /nfs/dbraw/zinc/84/18/23/1052841823.db2.gz OGESLRVWICCPDY-HUUCEWRRSA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1ccccc1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609312332 1052926130 /nfs/dbraw/zinc/92/61/30/1052926130.db2.gz PCHUYSHJFHLMQU-UHFFFAOYSA-N 1 0 324.424 4.325 20 5 DIBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3ccccc3c3ccccc31)C2 ZINC001226993245 1052951906 /nfs/dbraw/zinc/95/19/06/1052951906.db2.gz ULYMKYYODSSWDO-ZSHCYNCHSA-N 1 0 318.420 4.392 20 5 DIBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccccc3c3ccccc31)C2 ZINC001226993240 1052951946 /nfs/dbraw/zinc/95/19/46/1052951946.db2.gz ULYMKYYODSSWDO-MUJYYYPQSA-N 1 0 318.420 4.392 20 5 DIBDRO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000609388477 1052976517 /nfs/dbraw/zinc/97/65/17/1052976517.db2.gz MDXAWDIWYDJUEO-UHFFFAOYSA-N 1 0 306.406 4.017 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000064350290 1052977174 /nfs/dbraw/zinc/97/71/74/1052977174.db2.gz OFYWGCUYUKYVQG-UHFFFAOYSA-N 1 0 302.349 4.145 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000609541525 1052982002 /nfs/dbraw/zinc/98/20/02/1052982002.db2.gz ZKTXSMDYUSGCOR-OAHLLOKOSA-N 1 0 316.788 4.238 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000609544977 1052982706 /nfs/dbraw/zinc/98/27/06/1052982706.db2.gz HFILIRPXSXDXCF-MSOLQXFVSA-N 1 0 310.397 4.329 20 5 DIBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000609915911 1052999146 /nfs/dbraw/zinc/99/91/46/1052999146.db2.gz WOIIHGSYGOGZPO-NSHDSACASA-N 1 0 324.833 4.373 20 5 DIBDRO CC(C)[C@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000610089365 1053007683 /nfs/dbraw/zinc/00/76/83/1053007683.db2.gz RQFMAPXWFICEGP-CYBMUJFWSA-N 1 0 302.374 4.237 20 5 DIBDRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610089327 1053007816 /nfs/dbraw/zinc/00/78/16/1053007816.db2.gz NELZGBDBBCEIHX-ZDUSSCGKSA-N 1 0 302.374 4.237 20 5 DIBDRO C[N@H+](CCCc1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000610132258 1053009274 /nfs/dbraw/zinc/00/92/74/1053009274.db2.gz IXDQVPLSQPVRJL-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO C[N@@H+]1CCC[C@@H](Oc2cccc3ccc4cccnc4c32)CC1 ZINC001227763124 1053014595 /nfs/dbraw/zinc/01/45/95/1053014595.db2.gz BYTJHMAJQOLVLR-QGZVFWFLSA-N 1 0 306.409 4.251 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(OC3CC[NH+](C4CC4)CC3)c12 ZINC001227765530 1053015385 /nfs/dbraw/zinc/01/53/85/1053015385.db2.gz XJPPJFINNLXVTQ-UHFFFAOYSA-N 1 0 318.420 4.394 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccc(Br)cc2c1 ZINC001228110387 1053044553 /nfs/dbraw/zinc/04/45/53/1053044553.db2.gz KQYUSVJVPXXEAC-LBPRGKRZSA-N 1 0 323.254 4.076 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001228442603 1053104555 /nfs/dbraw/zinc/10/45/55/1053104555.db2.gz ZXRVWVFXZUVLJB-AWEZNQCLSA-N 1 0 304.841 4.481 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1c2ccccc2c(O)c2ccccc21 ZINC001229028049 1053228795 /nfs/dbraw/zinc/22/87/95/1053228795.db2.gz XXSQVPRJMYGSJB-CQSZACIVSA-O 1 0 310.417 4.172 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000847083086 1053238630 /nfs/dbraw/zinc/23/86/30/1053238630.db2.gz MOLWZEURSUHCHU-SNVBAGLBSA-N 1 0 316.323 4.038 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC(F)(F)CC1 ZINC000847087957 1053239773 /nfs/dbraw/zinc/23/97/73/1053239773.db2.gz WHFFDEBHICFDTP-JTQLQIEISA-N 1 0 316.323 4.038 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nc(C)cs1 ZINC001351988191 1053254946 /nfs/dbraw/zinc/25/49/46/1053254946.db2.gz WQKQZSCMNBKWNW-SVTZGKHISA-N 1 0 317.414 4.114 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCC3)CCC2 ZINC001321282059 1053405208 /nfs/dbraw/zinc/40/52/08/1053405208.db2.gz IMXVYZZTDNOFEA-HXUWFJFHSA-N 1 0 322.408 4.251 20 5 DIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618988722 1053416596 /nfs/dbraw/zinc/41/65/96/1053416596.db2.gz WWNVBSZBHKRYGX-IINYFYTJSA-N 1 0 310.344 4.095 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(SCc2ccccc2)cc1 ZINC001230064743 1053470927 /nfs/dbraw/zinc/47/09/27/1053470927.db2.gz PLEYTQBXLMGSBM-INIZCTEOSA-N 1 0 316.490 4.452 20 5 DIBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nccc3c4ccccc4ccc31)C2 ZINC001230203815 1053492673 /nfs/dbraw/zinc/49/26/73/1053492673.db2.gz YRAWQGVFSITIHW-BJWYYQGGSA-N 1 0 318.420 4.392 20 5 DIBDRO CC(C)[N@@H+]1CC[C@H](Oc2nccc3c4ccccc4ccc32)C1 ZINC001230203154 1053492730 /nfs/dbraw/zinc/49/27/30/1053492730.db2.gz IYVIGBSOHKLQDL-INIZCTEOSA-N 1 0 306.409 4.250 20 5 DIBDRO CC[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000619781367 1053557891 /nfs/dbraw/zinc/55/78/91/1053557891.db2.gz NOZOBHZMVJUTLB-SJORKVTESA-N 1 0 318.417 4.127 20 5 DIBDRO CC[NH+](CC)C[C@@H](C)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001230768624 1053598231 /nfs/dbraw/zinc/59/82/31/1053598231.db2.gz MTFCAWXTABODEY-SECBINFHSA-N 1 0 321.204 4.011 20 5 DIBDRO O[C@@H]1CC[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001231816429 1053874199 /nfs/dbraw/zinc/87/41/99/1053874199.db2.gz CDJVHDIHRIUCKD-OAHLLOKOSA-N 1 0 317.388 4.257 20 5 DIBDRO OCC1C[NH+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001231819184 1053874494 /nfs/dbraw/zinc/87/44/94/1053874494.db2.gz YZRJUAGFRUTGHJ-UHFFFAOYSA-N 1 0 317.388 4.115 20 5 DIBDRO OCC1C[NH+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001231828491 1053884105 /nfs/dbraw/zinc/88/41/05/1053884105.db2.gz ZMBBLTODYGJRDF-UHFFFAOYSA-N 1 0 311.812 4.071 20 5 DIBDRO CCC[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183992658 1053895856 /nfs/dbraw/zinc/89/58/56/1053895856.db2.gz IHAYRDLKQLSKQW-QZTJIDSGSA-N 1 0 320.433 4.375 20 5 DIBDRO C[C@H]1CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219207 1053992573 /nfs/dbraw/zinc/99/25/73/1053992573.db2.gz SEVUAXFTJSPDKZ-HNNXBMFYSA-N 1 0 305.425 4.405 20 5 DIBDRO F[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232217867 1053993506 /nfs/dbraw/zinc/99/35/06/1053993506.db2.gz ASAOECJLSZQEOG-MRXNPFEDSA-N 1 0 309.388 4.107 20 5 DIBDRO C[C@]1(F)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219054 1053993523 /nfs/dbraw/zinc/99/35/23/1053993523.db2.gz PVFZYPBWRGUVSB-IBGZPJMESA-N 1 0 309.388 4.107 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CC4(C3)CCCC4)nc12 ZINC001232218831 1053994112 /nfs/dbraw/zinc/99/41/12/1053994112.db2.gz MBARXIDVVPWYCZ-UHFFFAOYSA-N 1 0 303.409 4.159 20 5 DIBDRO C[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@@H]1C ZINC001232222812 1053995411 /nfs/dbraw/zinc/99/54/11/1053995411.db2.gz ZSCOCOCVOLEUBL-HUUCEWRRSA-N 1 0 305.425 4.403 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001200811796 1053997361 /nfs/dbraw/zinc/99/73/61/1053997361.db2.gz HFJFVEPUTIFWJK-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)ccc1OCc1ccccc1 ZINC001233607646 1054309980 /nfs/dbraw/zinc/30/99/80/1054309980.db2.gz NPMXQYSCFHSZQL-QGZVFWFLSA-N 1 0 314.449 4.048 20 5 DIBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234086415 1054431878 /nfs/dbraw/zinc/43/18/78/1054431878.db2.gz FJSQEAUFLBZOPM-MRXNPFEDSA-N 1 0 321.424 4.035 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4CCC[N@@H+](C)C4)c3c2n1 ZINC001234908403 1054617679 /nfs/dbraw/zinc/61/76/79/1054617679.db2.gz BSCBTEVOXPPFMJ-KRWDZBQOSA-N 1 0 320.436 4.478 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4CCC[N@@H+](C)C4)c3c2n1 ZINC001234908418 1054617959 /nfs/dbraw/zinc/61/79/59/1054617959.db2.gz BSCBTEVOXPPFMJ-QGZVFWFLSA-N 1 0 320.436 4.478 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(OC4CC[NH+](C)CC4)c3c2n1 ZINC001234915422 1054619266 /nfs/dbraw/zinc/61/92/66/1054619266.db2.gz URLSKCAPPFBUEM-UHFFFAOYSA-N 1 0 320.436 4.478 20 5 DIBDRO [NH3+][C@]12C[C@H]1CN(Cc1c3ccccc3c(Cl)c3ccccc31)C2 ZINC001235147855 1054666903 /nfs/dbraw/zinc/66/69/03/1054666903.db2.gz VEQPHYYLNGBZDM-RBZFPXEDSA-N 1 0 322.839 4.179 20 5 DIBDRO CN(Cc1c2ccccc2cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001235347610 1054707781 /nfs/dbraw/zinc/70/77/81/1054707781.db2.gz RKLAJRBLFYWVJP-SFHVURJKSA-N 1 0 304.437 4.177 20 5 DIBDRO [NH3+][C@H]1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001235364097 1054710419 /nfs/dbraw/zinc/71/04/19/1054710419.db2.gz UZPRALRWTVPGCO-SFHVURJKSA-N 1 0 300.405 4.117 20 5 DIBDRO CSCCCCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474110036 1054782258 /nfs/dbraw/zinc/78/22/58/1054782258.db2.gz ZBIUNEZASYGURK-UHFFFAOYSA-N 1 0 310.463 4.225 20 5 DIBDRO CCN(CC[NH3+])Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001236141035 1054969274 /nfs/dbraw/zinc/96/92/74/1054969274.db2.gz DFDXWCHOJIYNLS-UHFFFAOYSA-N 1 0 302.421 4.365 20 5 DIBDRO Clc1c2ccccc2c(CN2C[C@H]3C[NH2+][C@H]3C2)c2ccccc12 ZINC001236286931 1055048783 /nfs/dbraw/zinc/04/87/83/1055048783.db2.gz UUCXTFPGTJFGFO-YJYMSZOUSA-N 1 0 322.839 4.050 20 5 DIBDRO Clc1c2ccccc2c(CN2C[C@@H]3C[NH2+][C@@H]3C2)c2ccccc12 ZINC001236286924 1055048797 /nfs/dbraw/zinc/04/87/97/1055048797.db2.gz UUCXTFPGTJFGFO-ORAYPTAESA-N 1 0 322.839 4.050 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001236527508 1055161193 /nfs/dbraw/zinc/16/11/93/1055161193.db2.gz FONFDXONQQCQQG-LJQANCHMSA-N 1 0 316.448 4.319 20 5 DIBDRO CC[C@H](CSc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001620870294 1055498572 /nfs/dbraw/zinc/49/85/72/1055498572.db2.gz AMDITYUIEIBVNY-OAHLLOKOSA-N 1 0 316.426 4.255 20 5 DIBDRO CCC(C)(C)OCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001620960931 1055614864 /nfs/dbraw/zinc/61/48/64/1055614864.db2.gz JNVAEJNMHLCWCY-UHFFFAOYSA-N 1 0 308.422 4.013 20 5 DIBDRO Cc1cccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001620763032 1055934742 /nfs/dbraw/zinc/93/47/42/1055934742.db2.gz ZNGLNWBQYUCGJJ-UHFFFAOYSA-N 1 0 312.413 4.359 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC001617390252 1055947087 /nfs/dbraw/zinc/94/70/87/1055947087.db2.gz JWEQSBGLXWNLAD-CKEIUWERSA-N 1 0 320.433 4.296 20 5 DIBDRO CC1(C)CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001621012736 1055978357 /nfs/dbraw/zinc/97/83/57/1055978357.db2.gz DFHRZVDWGCXROS-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1ccc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001611805691 1056193801 /nfs/dbraw/zinc/19/38/01/1056193801.db2.gz GAZXHSYLUCFMJA-IYBDPMFKSA-N 1 0 319.449 4.073 20 5 DIBDRO CC[NH+](CC)[C@H](CNc1cc(C)sc1[N+](=O)[O-])c1ccco1 ZINC001611886497 1056204655 /nfs/dbraw/zinc/20/46/55/1056204655.db2.gz OHPRVAWKDCMEGO-CYBMUJFWSA-N 1 0 323.418 4.053 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CC2CCCCCC2)cc1 ZINC001620822943 1056296215 /nfs/dbraw/zinc/29/62/15/1056296215.db2.gz XFBGOJVFGOVRLG-UHFFFAOYSA-N 1 0 304.434 4.478 20 5 DIBDRO C[C@@H]1CC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC001620822953 1056296584 /nfs/dbraw/zinc/29/65/84/1056296584.db2.gz XKIZHQQLLPVZFY-GJZGRUSLSA-N 1 0 304.434 4.332 20 5 DIBDRO C[C@@H]([NH2+]CCSc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000037855118 1056458811 /nfs/dbraw/zinc/45/88/11/1056458811.db2.gz NVUUMDHNQWMKRX-CYBMUJFWSA-N 1 0 302.399 4.038 20 5 DIBDRO CC(C)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC001615148198 1056469965 /nfs/dbraw/zinc/46/99/65/1056469965.db2.gz GHXBKICHUHDUAM-UHFFFAOYSA-N 1 0 320.433 4.393 20 5 DIBDRO Cc1ccc(CN(C)[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001615187455 1056471473 /nfs/dbraw/zinc/47/14/73/1056471473.db2.gz HVEKGSGLVOJOPB-GFCCVEGCSA-N 1 0 320.339 4.374 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001615290149 1056487924 /nfs/dbraw/zinc/48/79/24/1056487924.db2.gz BVHHCHADTCWAFV-WBVHZDCISA-N 1 0 310.397 4.454 20 5 DIBDRO CC(C)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001615297121 1056488946 /nfs/dbraw/zinc/48/89/46/1056488946.db2.gz VUOARBKTJVLHAU-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC001615302738 1056489773 /nfs/dbraw/zinc/48/97/73/1056489773.db2.gz JOGUBQJUVNWETD-GDBMZVCRSA-N 1 0 320.433 4.393 20 5 DIBDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001615584473 1056542431 /nfs/dbraw/zinc/54/24/31/1056542431.db2.gz SLTGWKKCNHUVHH-INIZCTEOSA-N 1 0 320.433 4.264 20 5 DIBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001615601421 1056542640 /nfs/dbraw/zinc/54/26/40/1056542640.db2.gz UTWJHPPKGHAGKB-ZBEGNZNMSA-N 1 0 312.360 4.274 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000111397920 1056577198 /nfs/dbraw/zinc/57/71/98/1056577198.db2.gz SSSWUVQPHRZSAK-AQAKYHTHSA-N 1 0 308.381 4.001 20 5 DIBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC001615871298 1056589693 /nfs/dbraw/zinc/58/96/93/1056589693.db2.gz WVHZOMURZWVFLK-UHFFFAOYSA-N 1 0 320.433 4.264 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCCC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001616683897 1056699372 /nfs/dbraw/zinc/69/93/72/1056699372.db2.gz NMHFFCGOHJPLIF-INIZCTEOSA-N 1 0 320.433 4.394 20 5 DIBDRO Cc1ccc(C[NH2+]CC2(OC(C)C)CCCCC2)cc1[N+](=O)[O-] ZINC001620834752 1056832113 /nfs/dbraw/zinc/83/21/13/1056832113.db2.gz ALKFAVGBJBLXAS-UHFFFAOYSA-N 1 0 320.433 4.121 20 5 DIBDRO C[N@H+](CCSC1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC001617860391 1056892567 /nfs/dbraw/zinc/89/25/67/1056892567.db2.gz OCFBJQBJJCFVDI-UHFFFAOYSA-N 1 0 322.474 4.135 20 5 DIBDRO CCC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001617986820 1056911536 /nfs/dbraw/zinc/91/15/36/1056911536.db2.gz CYTKJJRCFGBHTF-MRXNPFEDSA-N 1 0 308.422 4.168 20 5 DIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000079845630 1056951889 /nfs/dbraw/zinc/95/18/89/1056951889.db2.gz XVLQBZJSZUJXJC-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2-c1ncnc2c1CC[NH2+]C2 ZINC001241378876 1057031302 /nfs/dbraw/zinc/03/13/02/1057031302.db2.gz MSIAIVRSXVXIGY-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000555165336 1057032037 /nfs/dbraw/zinc/03/20/37/1057032037.db2.gz HUIOPARAJYLWQQ-QZCPTFHJSA-N 1 0 310.397 4.438 20 5 DIBDRO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000093275074 1057034961 /nfs/dbraw/zinc/03/49/61/1057034961.db2.gz VNZGDXUQCFWVHI-LBPRGKRZSA-N 1 0 319.430 4.170 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000124128974 1057035009 /nfs/dbraw/zinc/03/50/09/1057035009.db2.gz ASIJIJWSCJGRBF-WCQYABFASA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000093445000 1057038433 /nfs/dbraw/zinc/03/84/33/1057038433.db2.gz ABJFZORHVWUKCG-SQUITACLSA-N 1 0 323.396 4.149 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922877946 1057072689 /nfs/dbraw/zinc/07/26/89/1057072689.db2.gz CDKMTKWPVIJPQQ-DEQJRXDXSA-N 1 0 323.396 4.060 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000021055473 1057073789 /nfs/dbraw/zinc/07/37/89/1057073789.db2.gz UJZBQZCXACQWLI-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1csc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000162357517 1057127873 /nfs/dbraw/zinc/12/78/73/1057127873.db2.gz ZEELACCLNHALPY-VXGBXAGGSA-N 1 0 305.403 4.080 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000172018347 1057245644 /nfs/dbraw/zinc/24/56/44/1057245644.db2.gz KOKXNSKCERAYHA-UHFFFAOYSA-N 1 0 316.788 4.417 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC2=Cc3ccccc3OC2)cc1[N+](=O)[O-] ZINC000175054574 1057380145 /nfs/dbraw/zinc/38/01/45/1057380145.db2.gz FMXCASRLYURUJQ-AWEZNQCLSA-N 1 0 324.380 4.030 20 5 DIBDRO CC1CC[NH+](C2CCC(Nc3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000611031885 1057580815 /nfs/dbraw/zinc/58/08/15/1057580815.db2.gz VCPOOWOKHIUQMB-UHFFFAOYSA-N 1 0 323.462 4.111 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C3CC3)o2)c1 ZINC000611268564 1057587302 /nfs/dbraw/zinc/58/73/02/1057587302.db2.gz PKNQPIOTJOVZLE-QGZVFWFLSA-N 1 0 312.369 4.229 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000611265469 1057587502 /nfs/dbraw/zinc/58/75/02/1057587502.db2.gz SSTWOYIHGTXBGI-VDNIUXDYSA-N 1 0 324.380 4.151 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCc2sccc2C1 ZINC000611271192 1057587603 /nfs/dbraw/zinc/58/76/03/1057587603.db2.gz UGBZAKUFLXXKST-ZZXKWVIFSA-N 1 0 314.410 4.118 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000611271255 1057588664 /nfs/dbraw/zinc/58/86/64/1057588664.db2.gz BSLUZBOTDGADBS-OAHLLOKOSA-N 1 0 314.385 4.301 20 5 DIBDRO COc1ccc(C)cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611335526 1057591179 /nfs/dbraw/zinc/59/11/79/1057591179.db2.gz RAELOYHSSFPGAU-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000611336815 1057591528 /nfs/dbraw/zinc/59/15/28/1057591528.db2.gz MIKLXFHYFASJDL-PBHICJAKSA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1ncc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000611335963 1057591590 /nfs/dbraw/zinc/59/15/90/1057591590.db2.gz RGWBSQNAYQHWSN-LBPRGKRZSA-N 1 0 319.430 4.033 20 5 DIBDRO Cc1c(C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000611554968 1057605950 /nfs/dbraw/zinc/60/59/50/1057605950.db2.gz DOUNWMPQPOGZHC-GXFFZTMASA-N 1 0 316.323 4.066 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C(C)C)C1CCCCC1 ZINC000728053303 1057685210 /nfs/dbraw/zinc/68/52/10/1057685210.db2.gz RZOFRCZGSFIPHH-UHFFFAOYSA-N 1 0 306.406 4.147 20 5 DIBDRO COc1ccc(C[NH2+]CC2CCCCCCC2)cc1[N+](=O)[O-] ZINC000730106834 1057703238 /nfs/dbraw/zinc/70/32/38/1057703238.db2.gz LHHWYPABOMPHHP-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO C[NH2+]Cc1cccc(-c2ccc3ccc4cccnc4c3n2)c1F ZINC001244855777 1058058655 /nfs/dbraw/zinc/05/86/55/1058058655.db2.gz GRUGMEHOFJGIBD-UHFFFAOYSA-N 1 0 317.367 4.309 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(F)(F)C1 ZINC001559499513 1059282983 /nfs/dbraw/zinc/28/29/83/1059282983.db2.gz VZEHPARDHIPAML-AWEZNQCLSA-N 1 0 312.360 4.241 20 5 DIBDRO CCC(CC)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001559515612 1059311214 /nfs/dbraw/zinc/31/12/14/1059311214.db2.gz OJXLEOFDVKSKSB-UHFFFAOYSA-N 1 0 306.406 4.017 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001559538974 1059337941 /nfs/dbraw/zinc/33/79/41/1059337941.db2.gz CJKRJADZMKZHMC-CJNGLKHVSA-N 1 0 314.360 4.112 20 5 DIBDRO CC(C)(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001559607210 1059440046 /nfs/dbraw/zinc/44/00/46/1059440046.db2.gz DNCYGRNRKHTFEY-UHFFFAOYSA-N 1 0 302.418 4.386 20 5 DIBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001559673641 1059498704 /nfs/dbraw/zinc/49/87/04/1059498704.db2.gz OPEZJXFOXXJVBK-IMJJTQAJSA-N 1 0 318.417 4.004 20 5 DIBDRO C[NH2+][C@@H](C)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247489612 1059498992 /nfs/dbraw/zinc/49/89/92/1059498992.db2.gz FEXOOGHJNIWAJM-LBPRGKRZSA-N 1 0 303.365 4.323 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC001559686803 1059515376 /nfs/dbraw/zinc/51/53/76/1059515376.db2.gz PDKBDRVNKKQSFO-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC001559768203 1059603488 /nfs/dbraw/zinc/60/34/88/1059603488.db2.gz FRMYLQHCERJZKV-CKEIUWERSA-N 1 0 320.433 4.296 20 5 DIBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC001559811430 1059647215 /nfs/dbraw/zinc/64/72/15/1059647215.db2.gz JEFNMYWLCIRHBO-IAOVAPTHSA-N 1 0 320.433 4.148 20 5 DIBDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1OC ZINC001559811433 1059647317 /nfs/dbraw/zinc/64/73/17/1059647317.db2.gz JEFNMYWLCIRHBO-XYPHTWIQSA-N 1 0 320.433 4.148 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC[C@]2(C)CC(C)C)ccc1[N+](=O)[O-] ZINC001559854236 1059677595 /nfs/dbraw/zinc/67/75/95/1059677595.db2.gz UZGGZGNWVWWRGS-GOSISDBHSA-N 1 0 320.433 4.394 20 5 DIBDRO CCc1ccc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC001559871114 1059688283 /nfs/dbraw/zinc/68/82/83/1059688283.db2.gz PGOQTIQIZWTUEN-LJQANCHMSA-N 1 0 324.424 4.455 20 5 DIBDRO CC(C)([NH2+]CC[C@H]1CCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC001559869073 1059688378 /nfs/dbraw/zinc/68/83/78/1059688378.db2.gz JDVAWXPEVNGYMN-GFCCVEGCSA-N 1 0 312.360 4.245 20 5 DIBDRO CCOc1cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001559892923 1059711491 /nfs/dbraw/zinc/71/14/91/1059711491.db2.gz CYZTWNCUCUBJDF-GUYCJALGSA-N 1 0 306.406 4.052 20 5 DIBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001559921148 1059736536 /nfs/dbraw/zinc/73/65/36/1059736536.db2.gz GMEIFVDVRDPKPW-CABCVRRESA-N 1 0 308.397 4.381 20 5 DIBDRO CC(C)c1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC001559980255 1059784599 /nfs/dbraw/zinc/78/45/99/1059784599.db2.gz VHFBEHHRVOJMAN-UHFFFAOYSA-N 1 0 324.424 4.319 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCSCC2)CC1 ZINC001560047275 1059862676 /nfs/dbraw/zinc/86/26/76/1059862676.db2.gz BIKLHIBAFVJGHM-CQSZACIVSA-N 1 0 320.458 4.265 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001560257454 1060025689 /nfs/dbraw/zinc/02/56/89/1060025689.db2.gz SNGOLJGBOOZQMP-GOSISDBHSA-N 1 0 312.413 4.433 20 5 DIBDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001560305837 1060092499 /nfs/dbraw/zinc/09/24/99/1060092499.db2.gz DGNQZDXZRDKYKW-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)CC1CCCCC1 ZINC001560413666 1060197866 /nfs/dbraw/zinc/19/78/66/1060197866.db2.gz RAWZYJPHAFLYAN-CQSZACIVSA-N 1 0 320.433 4.300 20 5 DIBDRO CCc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001560417448 1060201938 /nfs/dbraw/zinc/20/19/38/1060201938.db2.gz CZQVGDYZWBQVBC-UHFFFAOYSA-N 1 0 318.804 4.143 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@]2(C)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC001560427371 1060211848 /nfs/dbraw/zinc/21/18/48/1060211848.db2.gz YAURVHMGGRBLCJ-FQEVSTJZSA-N 1 0 324.424 4.287 20 5 DIBDRO Cc1cc(Cl)cc(C)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001560426603 1060213534 /nfs/dbraw/zinc/21/35/34/1060213534.db2.gz RWHJCNDWWVZBKO-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC001560458199 1060250360 /nfs/dbraw/zinc/25/03/60/1060250360.db2.gz GHCRDUPGYJQVDM-DOTOQJQBSA-N 1 0 304.434 4.332 20 5 DIBDRO COc1ccc(C[NH2+]C[C@]2(C)CC[C@H](C)C2(C)C)cc1[N+](=O)[O-] ZINC001560527455 1060330397 /nfs/dbraw/zinc/33/03/97/1060330397.db2.gz ISAFNGMEPVVBIP-UGSOOPFHSA-N 1 0 320.433 4.155 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001560570827 1060382464 /nfs/dbraw/zinc/38/24/64/1060382464.db2.gz WWGSUHMTRNDDQC-VSKPTYQZSA-N 1 0 324.371 4.413 20 5 DIBDRO C[C@@H]([NH2+]C/C=C/c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001560587712 1060399179 /nfs/dbraw/zinc/39/91/79/1060399179.db2.gz ZIRDKQZJYSZJRR-MASHWEEQSA-N 1 0 300.333 4.098 20 5 DIBDRO C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001560603732 1060416327 /nfs/dbraw/zinc/41/63/27/1060416327.db2.gz FFKVMESJWYOVLW-ASNKMWSDSA-N 1 0 310.397 4.391 20 5 DIBDRO CC[C@H](CC1CCCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001560705093 1060561503 /nfs/dbraw/zinc/56/15/03/1060561503.db2.gz CUGVWJSKKGIKQA-MRXNPFEDSA-N 1 0 320.433 4.442 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC001560706064 1060564096 /nfs/dbraw/zinc/56/40/96/1060564096.db2.gz ZWAHRELBURTZET-UONOGXRCSA-N 1 0 308.422 4.154 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]2CCCC[C@H]21 ZINC001560705723 1060564498 /nfs/dbraw/zinc/56/44/98/1060564498.db2.gz PVYZBUKIOWBWRF-OSAQELSMSA-N 1 0 308.809 4.259 20 5 DIBDRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001560754276 1060621271 /nfs/dbraw/zinc/62/12/71/1060621271.db2.gz DZWBTWYBUSIRFM-GFCCVEGCSA-N 1 0 304.312 4.114 20 5 DIBDRO C[C@@H](CC1CCC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001560804824 1060665322 /nfs/dbraw/zinc/66/53/22/1060665322.db2.gz OIHMRWHCDZLCIQ-JTQLQIEISA-N 1 0 316.323 4.282 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CCCCC1 ZINC001560864338 1060723401 /nfs/dbraw/zinc/72/34/01/1060723401.db2.gz CNNRUKSKBZMVIC-OAHLLOKOSA-N 1 0 304.434 4.476 20 5 DIBDRO CC(C)[C@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC001560878055 1060738639 /nfs/dbraw/zinc/73/86/39/1060738639.db2.gz KZMJTLACZAEZHB-GOSISDBHSA-N 1 0 316.445 4.428 20 5 DIBDRO c1cc2ccc3ccc(CC[NH+]4CCOCC4)c4ccc(c1)c2c34 ZINC001250278132 1060749539 /nfs/dbraw/zinc/74/95/39/1060749539.db2.gz WQOBDWVJVHCRNC-UHFFFAOYSA-N 1 0 315.416 4.459 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1CCCCC1 ZINC001560895769 1060758461 /nfs/dbraw/zinc/75/84/61/1060758461.db2.gz ZDJVZCUGJCCFRP-HUUCEWRRSA-N 1 0 304.434 4.474 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](C2CCC2)C2CCCCC2)cc1 ZINC001560901564 1060766047 /nfs/dbraw/zinc/76/60/47/1060766047.db2.gz WPJWNFIGAXEZLP-IBGZPJMESA-N 1 0 316.445 4.476 20 5 DIBDRO c1[nH+]cn2cc(Nc3cc4cccnc4c4ncccc34)ccc12 ZINC001250332233 1060783427 /nfs/dbraw/zinc/78/34/27/1060783427.db2.gz YEEQHCQQIWAYEJ-UHFFFAOYSA-N 1 0 311.348 4.174 20 5 DIBDRO CC[C@H](CCc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001560931716 1060795513 /nfs/dbraw/zinc/79/55/13/1060795513.db2.gz OURPKLCUIQWCGR-MRXNPFEDSA-N 1 0 316.376 4.235 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC001560961367 1060826594 /nfs/dbraw/zinc/82/65/94/1060826594.db2.gz NMYVIAYEFZZSJW-QMCVQRASSA-N 1 0 320.408 4.176 20 5 DIBDRO C=C/C=C\CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001560990220 1060853265 /nfs/dbraw/zinc/85/32/65/1060853265.db2.gz UFIGKSDBHCNRMV-ARJAWSKDSA-N 1 0 301.173 4.124 20 5 DIBDRO C[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001561027156 1060883260 /nfs/dbraw/zinc/88/32/60/1060883260.db2.gz XCBVHOVTHPPNSY-IOASZLSFSA-N 1 0 322.474 4.208 20 5 DIBDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001473213480 1060983614 /nfs/dbraw/zinc/98/36/14/1060983614.db2.gz KTIFEBBYJWTKNC-LLVKDONJSA-N 1 0 324.833 4.373 20 5 DIBDRO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001462218802 1061034237 /nfs/dbraw/zinc/03/42/37/1061034237.db2.gz GRKWOPPNWBMUFJ-RDJZCZTQSA-N 1 0 302.418 4.062 20 5 DIBDRO Cc1c(C[NH+]2CCC(C)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001473284195 1061054802 /nfs/dbraw/zinc/05/48/02/1061054802.db2.gz JBWNDIAFYIJTBT-UHFFFAOYSA-N 1 0 324.424 4.457 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001473339310 1061100258 /nfs/dbraw/zinc/10/02/58/1061100258.db2.gz XTGYIGFGRVRIRY-KRWDZBQOSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1C ZINC001462345651 1061118884 /nfs/dbraw/zinc/11/88/84/1061118884.db2.gz ZTPZPTDHZDAJKA-UHFFFAOYSA-N 1 0 318.804 4.497 20 5 DIBDRO C[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001473416237 1061147808 /nfs/dbraw/zinc/14/78/08/1061147808.db2.gz LJTDTGDBAYNRPY-OAHLLOKOSA-N 1 0 304.434 4.286 20 5 DIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CC2(CCC2)C1 ZINC001462401257 1061149958 /nfs/dbraw/zinc/14/99/58/1061149958.db2.gz IBVHZURJAFISLQ-UHFFFAOYSA-N 1 0 314.307 4.036 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC001473486974 1061187326 /nfs/dbraw/zinc/18/73/26/1061187326.db2.gz WHYIQEAXEZZLJF-LJQANCHMSA-N 1 0 324.424 4.407 20 5 DIBDRO CC(C)CC1(C)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001473522886 1061218835 /nfs/dbraw/zinc/21/88/35/1061218835.db2.gz JFRPYIZCFOVEKQ-UHFFFAOYSA-N 1 0 320.433 4.122 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001462512622 1061222823 /nfs/dbraw/zinc/22/28/23/1061222823.db2.gz NRBXNVRGVVSDAP-VHDGCEQUSA-N 1 0 316.426 4.247 20 5 DIBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001473565484 1061254369 /nfs/dbraw/zinc/25/43/69/1061254369.db2.gz TUCNQYMMLJAPBZ-CZUORRHYSA-N 1 0 308.397 4.381 20 5 DIBDRO C=C/C=C\CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001462559948 1061261779 /nfs/dbraw/zinc/26/17/79/1061261779.db2.gz WVXAFEYXHUBXNM-NSWPXQNRSA-N 1 0 300.402 4.028 20 5 DIBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001462624128 1061304026 /nfs/dbraw/zinc/30/40/26/1061304026.db2.gz DDUKQRQAAAJMOU-JKSUJKDBSA-N 1 0 312.413 4.400 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c(Cl)c1 ZINC001473658986 1061321368 /nfs/dbraw/zinc/32/13/68/1061321368.db2.gz YJKOACNURQGRJC-CYBMUJFWSA-N 1 0 308.809 4.260 20 5 DIBDRO Cc1c(C[NH+]2CCC3(CCSCC3)CC2)cccc1[N+](=O)[O-] ZINC001473694481 1061349155 /nfs/dbraw/zinc/34/91/55/1061349155.db2.gz JHZXGQQGTMHGNR-UHFFFAOYSA-N 1 0 320.458 4.012 20 5 DIBDRO CCCC1(CCC)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473768783 1061398595 /nfs/dbraw/zinc/39/85/95/1061398595.db2.gz GEWZCTYKNQPODH-UHFFFAOYSA-N 1 0 320.433 4.408 20 5 DIBDRO CCC1(CC)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473770065 1061400434 /nfs/dbraw/zinc/40/04/34/1061400434.db2.gz SSRQXSYOEYAYEV-UHFFFAOYSA-N 1 0 306.406 4.018 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(C3CCC3)cc2)cc1 ZINC001473987594 1061528936 /nfs/dbraw/zinc/52/89/36/1061528936.db2.gz DVYYIBGXRCXFGQ-UHFFFAOYSA-N 1 0 310.397 4.195 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cc2ccccc2[nH]1 ZINC001474077361 1061623447 /nfs/dbraw/zinc/62/34/47/1061623447.db2.gz UKYXFWFGNKEHIH-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001474148121 1061692959 /nfs/dbraw/zinc/69/29/59/1061692959.db2.gz KVPPJOCDTJKMBG-BBRMVZONSA-N 1 0 314.385 4.237 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC001474246451 1061812219 /nfs/dbraw/zinc/81/22/19/1061812219.db2.gz UOSCPHFWFPZDSL-NVXWUHKLSA-N 1 0 320.433 4.013 20 5 DIBDRO CCN(Cc1ccccc1C)Cc1ccc([N+](=O)[O-])cc1F ZINC001474319482 1061889663 /nfs/dbraw/zinc/88/96/63/1061889663.db2.gz PTCNNJWLCPVOIC-UHFFFAOYSA-N 1 0 302.349 4.064 20 5 DIBDRO C[C@@H]([N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(C)CC1 ZINC001474330479 1061919007 /nfs/dbraw/zinc/91/90/07/1061919007.db2.gz XGASIJTXFAUXQY-SNVBAGLBSA-N 1 0 316.323 4.234 20 5 DIBDRO C[C@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001474451355 1062129842 /nfs/dbraw/zinc/12/98/42/1062129842.db2.gz CLICOZPETCFTLE-NSHDSACASA-N 1 0 316.323 4.236 20 5 DIBDRO C[C@H](C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001459422839 1062137998 /nfs/dbraw/zinc/13/79/98/1062137998.db2.gz KDACWLCAUKTGAX-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO Cc1cc(Cl)cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001474469990 1062149357 /nfs/dbraw/zinc/14/93/57/1062149357.db2.gz WEQOHHYDICTATA-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCc1ccccc1 ZINC001254533345 1062163179 /nfs/dbraw/zinc/16/31/79/1062163179.db2.gz KBUXCZQNTOZABI-JKSUJKDBSA-N 1 0 312.413 4.137 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)ccc1Cl ZINC001254535480 1062163435 /nfs/dbraw/zinc/16/34/35/1062163435.db2.gz KLDQUPBTFWNYBA-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(Cl)cc1 ZINC001254537029 1062163734 /nfs/dbraw/zinc/16/37/34/1062163734.db2.gz VUSYXQAVVRAMOY-ZDUSSCGKSA-N 1 0 318.804 4.012 20 5 DIBDRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254533344 1062164555 /nfs/dbraw/zinc/16/45/55/1062164555.db2.gz KBUXCZQNTOZABI-HZPDHXFCSA-N 1 0 312.413 4.137 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001254532358 1062164985 /nfs/dbraw/zinc/16/49/85/1062164985.db2.gz NNRMFALFFZMPCB-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)cc1F ZINC001254538010 1062165534 /nfs/dbraw/zinc/16/55/34/1062165534.db2.gz MGCOLINXSPXGML-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2ccccc21 ZINC001254533329 1062165726 /nfs/dbraw/zinc/16/57/26/1062165726.db2.gz JWDXEALBZSAIBH-OAHLLOKOSA-N 1 0 320.392 4.469 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC001254541618 1062168238 /nfs/dbraw/zinc/16/82/38/1062168238.db2.gz IFZZHYHCOHFVDL-IUODEOHRSA-N 1 0 302.374 4.168 20 5 DIBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001474491564 1062170494 /nfs/dbraw/zinc/17/04/94/1062170494.db2.gz IFZUPXPOECXSOV-MUQADHOPSA-N 1 0 316.445 4.332 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001254543789 1062170629 /nfs/dbraw/zinc/17/06/29/1062170629.db2.gz HCGQKBMBWUQCJP-RYUDHWBXSA-N 1 0 320.339 4.155 20 5 DIBDRO Cc1cccc(C(C)(C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254546419 1062170679 /nfs/dbraw/zinc/17/06/79/1062170679.db2.gz SNTIUZMMSQWDCX-OAHLLOKOSA-N 1 0 312.413 4.359 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001254543000 1062171149 /nfs/dbraw/zinc/17/11/49/1062171149.db2.gz QZMQDHCRGPBWBG-GUYCJALGSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001254552380 1062172919 /nfs/dbraw/zinc/17/29/19/1062172919.db2.gz KZGZYCJXVTXBCT-ZDUSSCGKSA-N 1 0 324.371 4.037 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCc2ccccc21 ZINC001254550015 1062173381 /nfs/dbraw/zinc/17/33/81/1062173381.db2.gz ZDOVTALRYHTRQM-CRAIPNDOSA-N 1 0 324.424 4.236 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254548205 1062173573 /nfs/dbraw/zinc/17/35/73/1062173573.db2.gz ZOIUVOZLNQMYRJ-HUUCEWRRSA-N 1 0 312.413 4.439 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001254550823 1062173827 /nfs/dbraw/zinc/17/38/27/1062173827.db2.gz RSJTZKRDIJEMSY-GJZGRUSLSA-N 1 0 310.397 4.145 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCC1CCCCCC1)C2 ZINC001254576387 1062185572 /nfs/dbraw/zinc/18/55/72/1062185572.db2.gz WENOWUGSMGTLRS-KRWDZBQOSA-N 1 0 302.418 4.012 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001254571454 1062185878 /nfs/dbraw/zinc/18/58/78/1062185878.db2.gz VZCIHYUWXYDKRQ-IFXJQAMLSA-N 1 0 310.397 4.145 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC001254571450 1062186102 /nfs/dbraw/zinc/18/61/02/1062186102.db2.gz VUWLJMVLJUQEFH-SFHVURJKSA-N 1 0 318.376 4.005 20 5 DIBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC001254571737 1062187405 /nfs/dbraw/zinc/18/74/05/1062187405.db2.gz BBLCKHVHNBMQTJ-MEDUHNTESA-N 1 0 316.788 4.066 20 5 DIBDRO CC(C)=CCC/C(C)=C/C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576581 1062187448 /nfs/dbraw/zinc/18/74/48/1062187448.db2.gz YBFGNJMTBIZAFT-IKFRKZOMSA-N 1 0 314.429 4.344 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254581043 1062188957 /nfs/dbraw/zinc/18/89/57/1062188957.db2.gz JJNJJYKUJFWWFU-KDOFPFPSSA-N 1 0 310.397 4.030 20 5 DIBDRO CC(C)(C)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584602 1062190259 /nfs/dbraw/zinc/19/02/59/1062190259.db2.gz SLVLWCQRQYEKPB-MJGOQNOKSA-N 1 0 324.424 4.439 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC001254590650 1062192613 /nfs/dbraw/zinc/19/26/13/1062192613.db2.gz YHCOVVRJIOFKAQ-PXNSSMCTSA-N 1 0 322.408 4.038 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@H]1c1ccccc1)C2 ZINC001254597263 1062195426 /nfs/dbraw/zinc/19/54/26/1062195426.db2.gz GQMNDHXELBYCLV-UXHICEINSA-N 1 0 322.408 4.289 20 5 DIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595717 1062196715 /nfs/dbraw/zinc/19/67/15/1062196715.db2.gz YRVUYKXPTMESOS-ICSRJNTNSA-N 1 0 322.408 4.208 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+](Cc1ccccc1)C1CCC1)C2 ZINC001254606575 1062199024 /nfs/dbraw/zinc/19/90/24/1062199024.db2.gz GLGFHISNYDGLFI-FQEVSTJZSA-N 1 0 322.408 4.117 20 5 DIBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC001474521040 1062205116 /nfs/dbraw/zinc/20/51/16/1062205116.db2.gz INEQHUUYGAANGN-HOCLYGCPSA-N 1 0 310.825 4.361 20 5 DIBDRO CC(C)[C@@H]1[C@@H](C(C)C)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474521038 1062206687 /nfs/dbraw/zinc/20/66/87/1062206687.db2.gz INEQHUUYGAANGN-GDBMZVCRSA-N 1 0 310.825 4.361 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC001474560190 1062265444 /nfs/dbraw/zinc/26/54/44/1062265444.db2.gz HPMSKMAKQJFKTP-VEMDQMBVSA-N 1 0 300.402 4.119 20 5 DIBDRO CS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001474609095 1062322800 /nfs/dbraw/zinc/32/28/00/1062322800.db2.gz AITBARVSIXXIFX-FRFSOERESA-N 1 0 322.474 4.180 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1=CCCC1 ZINC001474636377 1062361854 /nfs/dbraw/zinc/36/18/54/1062361854.db2.gz NHGNYRBIAGJRBM-WBVHZDCISA-N 1 0 300.402 4.006 20 5 DIBDRO CC1(C)CC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001474638156 1062363628 /nfs/dbraw/zinc/36/36/28/1062363628.db2.gz UDOAWDIYUBOFJL-UHFFFAOYSA-N 1 0 303.189 4.180 20 5 DIBDRO CC1(c2ccccc2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001459775745 1062389872 /nfs/dbraw/zinc/38/98/72/1062389872.db2.gz WMMMLCHGYTUFQX-UHFFFAOYSA-N 1 0 310.397 4.149 20 5 DIBDRO CC[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001474705096 1062431919 /nfs/dbraw/zinc/43/19/19/1062431919.db2.gz XOBJFLGVGIWFSL-TZMCWYRMSA-N 1 0 304.415 4.328 20 5 DIBDRO C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001474727987 1062450005 /nfs/dbraw/zinc/45/00/05/1062450005.db2.gz PPMGDDBFZAFNKD-JKSUJKDBSA-N 1 0 312.413 4.309 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC=CCCC2)c(Cl)c1 ZINC001474745220 1062459937 /nfs/dbraw/zinc/45/99/37/1062459937.db2.gz FENJLVOTLIOCDE-ZDUSSCGKSA-N 1 0 308.809 4.474 20 5 DIBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC001459877470 1062465706 /nfs/dbraw/zinc/46/57/06/1062465706.db2.gz MQMLSXCGEKIHCQ-CYBMUJFWSA-N 1 0 316.376 4.190 20 5 DIBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459967967 1062534623 /nfs/dbraw/zinc/53/46/23/1062534623.db2.gz MJBAQBWNXACROH-SWLSCSKDSA-N 1 0 324.396 4.143 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460023911 1062578981 /nfs/dbraw/zinc/57/89/81/1062578981.db2.gz TUYCHRBQZADJMK-OAHLLOKOSA-N 1 0 320.433 4.252 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460076102 1062618977 /nfs/dbraw/zinc/61/89/77/1062618977.db2.gz SBTGCDUAGCCSGN-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCC(C)(C)CC1 ZINC001460085653 1062625933 /nfs/dbraw/zinc/62/59/33/1062625933.db2.gz ICWUDFPENPTCSW-UHFFFAOYSA-N 1 0 304.434 4.286 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001460111516 1062642136 /nfs/dbraw/zinc/64/21/36/1062642136.db2.gz CDLAYVCGJPQQGT-GASCZTMLSA-N 1 0 318.417 4.004 20 5 DIBDRO CC1(C2CC2)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001460178085 1062680735 /nfs/dbraw/zinc/68/07/35/1062680735.db2.gz TZGHFRTZDPTULW-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO CC1(C2CC2)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001460178942 1062682877 /nfs/dbraw/zinc/68/28/77/1062682877.db2.gz VPQHVCCRTPOXEQ-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCC1 ZINC001460222885 1062707260 /nfs/dbraw/zinc/70/72/60/1062707260.db2.gz CTUYEAMUOSGRSN-QGZVFWFLSA-N 1 0 320.433 4.440 20 5 DIBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001460263523 1062737943 /nfs/dbraw/zinc/73/79/43/1062737943.db2.gz IKSLFXGDGHWJKU-GDBMZVCRSA-N 1 0 308.397 4.381 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC001460870716 1063107898 /nfs/dbraw/zinc/10/78/98/1063107898.db2.gz HQFQFMFSGQVFNM-IENJSVCTSA-N 1 0 308.381 4.273 20 5 DIBDRO Cc1ccc(NC2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001472880031 1063297341 /nfs/dbraw/zinc/29/73/41/1063297341.db2.gz PWGVKSHLCPSQQQ-UHFFFAOYSA-N 1 0 317.433 4.112 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC(C3CCC3)CC2)cc1 ZINC001461172790 1063307772 /nfs/dbraw/zinc/30/77/72/1063307772.db2.gz YKXRTGACQBFODH-UHFFFAOYSA-N 1 0 302.418 4.086 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3cnccc32)cc1[N+](=O)[O-] ZINC001461254101 1063365495 /nfs/dbraw/zinc/36/54/95/1063365495.db2.gz GLYLCLFSCXMZAT-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3cnccc32)cc1[N+](=O)[O-] ZINC001461254104 1063366182 /nfs/dbraw/zinc/36/61/82/1063366182.db2.gz GLYLCLFSCXMZAT-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO CC1(C)CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001461262317 1063374159 /nfs/dbraw/zinc/37/41/59/1063374159.db2.gz FECRNHPYCQSZFI-INIZCTEOSA-N 1 0 304.434 4.476 20 5 DIBDRO CC1(C)CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001461268175 1063377615 /nfs/dbraw/zinc/37/76/15/1063377615.db2.gz WTDNZEIOTGODDV-UHFFFAOYSA-N 1 0 304.434 4.476 20 5 DIBDRO CCC(CC)C[N@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001473103831 1063402349 /nfs/dbraw/zinc/40/23/49/1063402349.db2.gz BDVPWRXYWPPGEU-UHFFFAOYSA-N 1 0 312.385 4.001 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC001473176494 1063481657 /nfs/dbraw/zinc/48/16/57/1063481657.db2.gz MICMVRBKHPSUEU-MRXNPFEDSA-N 1 0 320.433 4.394 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001473176884 1063482526 /nfs/dbraw/zinc/48/25/26/1063482526.db2.gz QVFBRFQBHBZNMF-MRXNPFEDSA-N 1 0 320.433 4.394 20 5 DIBDRO Cc1ccc(C[NH2+]CC2CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001461454559 1063515027 /nfs/dbraw/zinc/51/50/27/1063515027.db2.gz GRPJSBVEEMPGKS-UHFFFAOYSA-N 1 0 310.397 4.187 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001461464617 1063524273 /nfs/dbraw/zinc/52/42/73/1063524273.db2.gz NLRIVJZECIBIMS-KFWWJZLASA-N 1 0 320.433 4.155 20 5 DIBDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001461468620 1063527003 /nfs/dbraw/zinc/52/70/03/1063527003.db2.gz ZQWLVVGCLQWPQJ-ZIAGYGMSSA-N 1 0 314.385 4.381 20 5 DIBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001461515034 1063549134 /nfs/dbraw/zinc/54/91/34/1063549134.db2.gz LDURAIGBBFCMLY-KPJVXMDVSA-N 1 0 302.418 4.414 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCC1(F)F ZINC001461526829 1063559499 /nfs/dbraw/zinc/55/94/99/1063559499.db2.gz BGXUIAYSJNLONU-BMQCOBNYSA-N 1 0 324.371 4.413 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(C(C)(C)C)C1 ZINC001461545545 1063570881 /nfs/dbraw/zinc/57/08/81/1063570881.db2.gz ZZUKJNYXBSWNRM-MDWZMJQESA-N 1 0 302.418 4.412 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC001461680002 1063655157 /nfs/dbraw/zinc/65/51/57/1063655157.db2.gz JGBLEICBXFQAIX-JLVBRIDZSA-N 1 0 302.418 4.244 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc2ncccc12 ZINC001461736673 1063688257 /nfs/dbraw/zinc/68/82/57/1063688257.db2.gz XCGCKMWGMIDDKK-UHFFFAOYSA-N 1 0 321.380 4.050 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC001461809768 1063728581 /nfs/dbraw/zinc/72/85/81/1063728581.db2.gz GQOSZFMHGAECGF-SSUFTNFISA-N 1 0 324.371 4.413 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001461920342 1063802233 /nfs/dbraw/zinc/80/22/33/1063802233.db2.gz KLNKJXWFMJFXTA-AWEZNQCLSA-N 1 0 310.397 4.158 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/C1CC1 ZINC001261240587 1063914722 /nfs/dbraw/zinc/91/47/22/1063914722.db2.gz CMVDOKZUIXUIDL-GJBLVYBDSA-N 1 0 306.431 4.021 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccs1 ZINC001462108929 1063933754 /nfs/dbraw/zinc/93/37/54/1063933754.db2.gz XVKLFRUOIISZAE-STQMWFEESA-N 1 0 304.415 4.328 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001462120714 1063937757 /nfs/dbraw/zinc/93/77/57/1063937757.db2.gz XKNFXYYFDJDRIH-OALUTQOASA-N 1 0 324.424 4.138 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001307430551 1065390119 /nfs/dbraw/zinc/39/01/19/1065390119.db2.gz FGSWSGIMOTUCKU-ZACQAIPSSA-N 1 0 302.418 4.241 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001307430550 1065391333 /nfs/dbraw/zinc/39/13/33/1065391333.db2.gz FGSWSGIMOTUCKU-IXDOHACOSA-N 1 0 302.418 4.241 20 5 DIBDRO Cc1c(C[N@@H+](CCc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC001307434676 1065392777 /nfs/dbraw/zinc/39/27/77/1065392777.db2.gz LYRPBMKEUCJVOF-UHFFFAOYSA-N 1 0 312.413 4.356 20 5 DIBDRO CCOc1cc(C[N@H+](C(CC)CC)C2CC2)ccc1[N+](=O)[O-] ZINC001307446692 1065406337 /nfs/dbraw/zinc/40/63/37/1065406337.db2.gz HORNHTZAXZEOAG-UHFFFAOYSA-N 1 0 306.406 4.147 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC001307458869 1065412981 /nfs/dbraw/zinc/41/29/81/1065412981.db2.gz XICMGGXCMHQDBZ-OKILXGFUSA-N 1 0 306.406 4.145 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307479713 1065425821 /nfs/dbraw/zinc/42/58/21/1065425821.db2.gz QFBZOOPDXZYBPA-UVWXRNBGSA-N 1 0 310.344 4.026 20 5 DIBDRO CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC001307508267 1065450860 /nfs/dbraw/zinc/45/08/60/1065450860.db2.gz GSKKOTBUNAINEG-UHFFFAOYSA-N 1 0 306.406 4.006 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@H]1CCCc3ccccc31)CC2 ZINC001307523197 1065462255 /nfs/dbraw/zinc/46/22/55/1065462255.db2.gz KBNMXFRVKLXIQD-IBGZPJMESA-N 1 0 308.381 4.031 20 5 DIBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307548172 1065476990 /nfs/dbraw/zinc/47/69/90/1065476990.db2.gz PNIMMYJWAJOMPN-MAUKXSAKSA-N 1 0 320.433 4.264 20 5 DIBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC001307573317 1065489238 /nfs/dbraw/zinc/48/92/38/1065489238.db2.gz FZIPXOIGXFSJRM-GOSISDBHSA-N 1 0 312.413 4.438 20 5 DIBDRO CCCCC[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001307581316 1065496033 /nfs/dbraw/zinc/49/60/33/1065496033.db2.gz PTGOYMFYPGAYLZ-HNNXBMFYSA-N 1 0 306.406 4.018 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12CCC2 ZINC001307612844 1065515924 /nfs/dbraw/zinc/51/59/24/1065515924.db2.gz FYGZJVRRZKZPMC-GFCCVEGCSA-N 1 0 308.809 4.260 20 5 DIBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001307626453 1065524709 /nfs/dbraw/zinc/52/47/09/1065524709.db2.gz XGXQQNZRMQKPIG-DTWKUNHWSA-N 1 0 305.205 4.426 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001307641519 1065536946 /nfs/dbraw/zinc/53/69/46/1065536946.db2.gz BCTBZWSAZMFNEO-HNNXBMFYSA-N 1 0 312.413 4.359 20 5 DIBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC001307658499 1065547193 /nfs/dbraw/zinc/54/71/93/1065547193.db2.gz BDOVJFZHORCNKJ-SFHVURJKSA-N 1 0 310.397 4.240 20 5 DIBDRO Cc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001307676145 1065557335 /nfs/dbraw/zinc/55/73/35/1065557335.db2.gz VIDLJTMRUVOXGC-NVXWUHKLSA-N 1 0 310.397 4.454 20 5 DIBDRO Cc1ccc([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001307676146 1065557465 /nfs/dbraw/zinc/55/74/65/1065557465.db2.gz VIDLJTMRUVOXGC-RDJZCZTQSA-N 1 0 310.397 4.454 20 5 DIBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1c(F)cccc1Cl ZINC001307717533 1065584448 /nfs/dbraw/zinc/58/44/48/1065584448.db2.gz UAQBEBQDWYZVNL-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C1CCCCC1 ZINC001307720907 1065584855 /nfs/dbraw/zinc/58/48/55/1065584855.db2.gz BAPYDABDKMPZMJ-CYBMUJFWSA-N 1 0 306.406 4.004 20 5 DIBDRO C[C@H](C1CCCCC1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307722313 1065585958 /nfs/dbraw/zinc/58/59/58/1065585958.db2.gz RHHXUYGEIICXKJ-OAHLLOKOSA-N 1 0 320.433 4.264 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001307783851 1065618946 /nfs/dbraw/zinc/61/89/46/1065618946.db2.gz OHDBJJNENANYFI-HNNXBMFYSA-N 1 0 314.360 4.114 20 5 DIBDRO CCCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001307802211 1065627555 /nfs/dbraw/zinc/62/75/55/1065627555.db2.gz ZPTJYTQMSSHNAG-UHFFFAOYSA-N 1 0 320.433 4.408 20 5 DIBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307951715 1065697233 /nfs/dbraw/zinc/69/72/33/1065697233.db2.gz KCWXZFDHZXJPJG-LSDHHAIUSA-N 1 0 306.406 4.017 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC001307964067 1065701362 /nfs/dbraw/zinc/70/13/62/1065701362.db2.gz JMBAUWMZZYGAGI-CDWSIMAYSA-N 1 0 314.788 4.255 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001308070465 1065751350 /nfs/dbraw/zinc/75/13/50/1065751350.db2.gz NASXHEJIOAEALU-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](CCC(C)C)C2)cc1[N+](=O)[O-] ZINC001308252706 1065856293 /nfs/dbraw/zinc/85/62/93/1065856293.db2.gz PUSTZENBTDBVRA-HOCLYGCPSA-N 1 0 320.433 4.298 20 5 DIBDRO CS[C@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001308295943 1065892336 /nfs/dbraw/zinc/89/23/36/1065892336.db2.gz OZOKCZWBFTUICH-RDJZCZTQSA-N 1 0 322.474 4.181 20 5 DIBDRO Cc1ccc(F)c(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001308348663 1065931451 /nfs/dbraw/zinc/93/14/51/1065931451.db2.gz WQFLLWDQHNBALD-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO CS[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001308368964 1065945039 /nfs/dbraw/zinc/94/50/39/1065945039.db2.gz DCOCXUKOIQEAKC-WQMJKPAKSA-N 1 0 322.474 4.365 20 5 DIBDRO CC(C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001308376066 1065949770 /nfs/dbraw/zinc/94/97/70/1065949770.db2.gz CADDGMFPNZIKCY-SFHVURJKSA-N 1 0 312.413 4.199 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)o2)c1 ZINC001308456315 1065999565 /nfs/dbraw/zinc/99/95/65/1065999565.db2.gz FKSUHUZDNMDOIM-BPLDGKMQSA-N 1 0 312.369 4.133 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C(C)(F)F ZINC001308492496 1066025816 /nfs/dbraw/zinc/02/58/16/1066025816.db2.gz KYNAJDKCGOUQKX-WQLSENKSSA-N 1 0 312.360 4.269 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2cccn2CCC(C)C)cc1[N+](=O)[O-] ZINC001308494807 1066026785 /nfs/dbraw/zinc/02/67/85/1066026785.db2.gz LMMUMVGRFNPUNY-UHFFFAOYSA-N 1 0 315.417 4.041 20 5 DIBDRO CN1CC[C@@H]1C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001308531372 1066049954 /nfs/dbraw/zinc/04/99/54/1066049954.db2.gz VCYLIDPTBDEKCV-CQSZACIVSA-N 1 0 324.855 4.440 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H]43)o2)cc1 ZINC001308548252 1066062105 /nfs/dbraw/zinc/06/21/05/1066062105.db2.gz YQZTZMQPLZLEFP-XOKHGSTOSA-N 1 0 312.369 4.133 20 5 DIBDRO Cc1ccc2[nH]cc(CC[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)c2c1 ZINC001308549363 1066062366 /nfs/dbraw/zinc/06/23/66/1066062366.db2.gz WREYDIKACSJVGL-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000903286952 1066102424 /nfs/dbraw/zinc/10/24/24/1066102424.db2.gz KDDQXSGDALCHPU-CHWSQXEVSA-N 1 0 300.358 4.021 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)c1ccc([N+](=O)[O-])cc1 ZINC000903287816 1066103786 /nfs/dbraw/zinc/10/37/86/1066103786.db2.gz QXHOGJHTYPQFHN-GHMZBOCLSA-N 1 0 320.776 4.366 20 5 DIBDRO CC(C)[C@@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001308596648 1066108184 /nfs/dbraw/zinc/10/81/84/1066108184.db2.gz XHZRSBHQFSDOLV-LJQANCHMSA-N 1 0 310.397 4.350 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC001308638398 1066131516 /nfs/dbraw/zinc/13/15/16/1066131516.db2.gz VUHZKFUAYCGIKQ-UVQBRAAOSA-N 1 0 300.402 4.286 20 5 DIBDRO CC[C@@H]1CCCC[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001308712703 1066193981 /nfs/dbraw/zinc/19/39/81/1066193981.db2.gz QZYBDRYYVWWFFR-IAGOWNOFSA-N 1 0 304.434 4.286 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(c2ccco2)CC1 ZINC001308856168 1066335628 /nfs/dbraw/zinc/33/56/28/1066335628.db2.gz WULNDAICNRUNOE-UHFFFAOYSA-N 1 0 314.385 4.184 20 5 DIBDRO CC1(C)CC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308876444 1066355665 /nfs/dbraw/zinc/35/56/65/1066355665.db2.gz WBIZJENVVNFWSO-CJNGLKHVSA-N 1 0 302.418 4.084 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2nccc3ccccc32)cc1[N+](=O)[O-] ZINC001308902929 1066382611 /nfs/dbraw/zinc/38/26/11/1066382611.db2.gz BVNQXZUECIREQA-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO CCCCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001308928869 1066403417 /nfs/dbraw/zinc/40/34/17/1066403417.db2.gz MNYBZKGAZHHRMF-JQFCIGGWSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@H]([NH2+]CCCc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001308929184 1066404303 /nfs/dbraw/zinc/40/43/03/1066404303.db2.gz PUDSZFAFOXRRJQ-LBPRGKRZSA-N 1 0 320.339 4.156 20 5 DIBDRO C[C@@H](C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001308958616 1066419559 /nfs/dbraw/zinc/41/95/59/1066419559.db2.gz KSBZGUCJNJPRGK-UONOGXRCSA-N 1 0 316.376 4.231 20 5 DIBDRO C[C@@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001308958614 1066419912 /nfs/dbraw/zinc/41/99/12/1066419912.db2.gz KSBZGUCJNJPRGK-KGLIPLIRSA-N 1 0 316.376 4.231 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1C[C@H]1C1CCCC1 ZINC001308983425 1066431006 /nfs/dbraw/zinc/43/10/06/1066431006.db2.gz DBOCZECHPZAPGL-HIFRSBDPSA-N 1 0 308.809 4.164 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000040518074 183089942 /nfs/dbraw/zinc/08/99/42/183089942.db2.gz UZEYSPNTDWLNIA-VHSXEESVSA-N 1 0 305.403 4.080 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC2)ccc1Oc1ccccc1Cl ZINC000061003420 184159825 /nfs/dbraw/zinc/15/98/25/184159825.db2.gz JUDNXHUQFLMTCT-UHFFFAOYSA-N 1 0 318.760 4.293 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000273016158 130082462 /nfs/dbraw/zinc/08/24/62/130082462.db2.gz ZTFXPLQLOSWNPE-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO CC(C)c1nc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cs1 ZINC000274431988 130233758 /nfs/dbraw/zinc/23/37/58/130233758.db2.gz JWTYFWVCTJFJQH-LBPRGKRZSA-N 1 0 319.430 4.068 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000120865438 132147256 /nfs/dbraw/zinc/14/72/56/132147256.db2.gz CTOFXTZAOJJVKZ-MNOVXSKESA-N 1 0 306.312 4.285 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(F)cc1F ZINC000570875436 332833837 /nfs/dbraw/zinc/83/38/37/332833837.db2.gz XPVJLIQMTFKAKQ-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000035009941 331465568 /nfs/dbraw/zinc/46/55/68/331465568.db2.gz FAAQDPCTYJXBHE-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000035009940 331465574 /nfs/dbraw/zinc/46/55/74/331465574.db2.gz FAAQDPCTYJXBHE-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000537955441 331686626 /nfs/dbraw/zinc/68/66/26/331686626.db2.gz WTNHDZYHBVECKG-QILLFSRXSA-N 1 0 320.433 4.005 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000537957806 331778418 /nfs/dbraw/zinc/77/84/18/331778418.db2.gz VCBMNTAXZKWDLL-TZMCWYRMSA-N 1 0 312.360 4.083 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090224797 331822506 /nfs/dbraw/zinc/82/25/06/331822506.db2.gz ZIKYZFVSIYNZTA-INIZCTEOSA-N 1 0 306.312 4.114 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1 ZINC000409637092 332043070 /nfs/dbraw/zinc/04/30/70/332043070.db2.gz GGGOYPJNNCRDHJ-UHFFFAOYSA-N 1 0 322.364 4.187 20 5 DIBDRO CCOc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000159391271 332082645 /nfs/dbraw/zinc/08/26/45/332082645.db2.gz HQWXIEQIRVPFJM-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000091959865 332097106 /nfs/dbraw/zinc/09/71/06/332097106.db2.gz JWZHNOTWRKGOIN-ABAIWWIYSA-N 1 0 300.383 4.092 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2cnc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000537971637 332251736 /nfs/dbraw/zinc/25/17/36/332251736.db2.gz ZTWDYKQVCQDYRZ-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2cnc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000537971636 332251813 /nfs/dbraw/zinc/25/18/13/332251813.db2.gz ZTWDYKQVCQDYRZ-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559897274 332291094 /nfs/dbraw/zinc/29/10/94/332291094.db2.gz KFUSPGFVTXWWRS-ALKREAHSSA-N 1 0 310.397 4.358 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csc3ccccc23)cc1 ZINC000387514704 332294656 /nfs/dbraw/zinc/29/46/56/332294656.db2.gz NCJJQLKOXSLUQN-UHFFFAOYSA-N 1 0 312.394 4.142 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CF)s1 ZINC000560611893 332368349 /nfs/dbraw/zinc/36/83/49/332368349.db2.gz QZQFYHCKXIDKHC-GFCCVEGCSA-N 1 0 320.389 4.257 20 5 DIBDRO CCc1ccc([C@H]([NH2+]C[C@H]2C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569887142 332689302 /nfs/dbraw/zinc/68/93/02/332689302.db2.gz WHTNUHNGAMQXNY-RVZJWNSFSA-N 1 0 314.385 4.085 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000053149342 332961970 /nfs/dbraw/zinc/96/19/70/332961970.db2.gz IYTOTXFIBUWBNH-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000378873047 333058117 /nfs/dbraw/zinc/05/81/17/333058117.db2.gz SPNZSJZBOMIXKX-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc(C)c(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000313849403 333072063 /nfs/dbraw/zinc/07/20/63/333072063.db2.gz RYAFFZOJWQEKTO-SFHVURJKSA-N 1 0 313.401 4.238 20 5 DIBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000466934901 333101090 /nfs/dbraw/zinc/10/10/90/333101090.db2.gz GOLVJMSKOVSGDE-HIFRSBDPSA-N 1 0 306.406 4.002 20 5 DIBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000466934903 333101129 /nfs/dbraw/zinc/10/11/29/333101129.db2.gz GOLVJMSKOVSGDE-ZFWWWQNUSA-N 1 0 306.406 4.002 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cscc1C ZINC000487166965 333115278 /nfs/dbraw/zinc/11/52/78/333115278.db2.gz HIYUHNCSVFYCHD-SDQBBNPISA-N 1 0 302.399 4.158 20 5 DIBDRO CCC[C@@H]([NH2+]CCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390227220 333250650 /nfs/dbraw/zinc/25/06/50/333250650.db2.gz CYJCDYAYWCNQGE-CQSZACIVSA-N 1 0 300.349 4.461 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000062726445 333336155 /nfs/dbraw/zinc/33/61/55/333336155.db2.gz LOZXVRWHKKMPMY-LBPRGKRZSA-N 1 0 304.415 4.166 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000040444240 333353133 /nfs/dbraw/zinc/35/31/33/333353133.db2.gz SJTCRXPVSSNXNN-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000021810534 333390335 /nfs/dbraw/zinc/39/03/35/333390335.db2.gz GTYKUJOCLZTMSQ-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CCC[C@H]([NH2+]CCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000391181512 333422804 /nfs/dbraw/zinc/42/28/04/333422804.db2.gz JPMAGQJMXPEWFL-HNNXBMFYSA-N 1 0 319.430 4.033 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000061328352 333427560 /nfs/dbraw/zinc/42/75/60/333427560.db2.gz CMSRWEXAIILQJN-NHYWBVRUSA-N 1 0 302.399 4.385 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOc1ccccc1 ZINC000531690477 333545510 /nfs/dbraw/zinc/54/55/10/333545510.db2.gz GFESZXAMELQJBW-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1ccccc1C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000571270681 333694199 /nfs/dbraw/zinc/69/41/99/333694199.db2.gz VAFDJCGKWFQZKR-HXUWFJFHSA-N 1 0 324.424 4.057 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571298277 333715880 /nfs/dbraw/zinc/71/58/80/333715880.db2.gz VAPGORDHVMTAEA-OLZOCXBDSA-N 1 0 316.323 4.149 20 5 DIBDRO CCC[C@@H]([NH2+]C1CCC(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414306639 333936751 /nfs/dbraw/zinc/93/67/51/333936751.db2.gz GMANRSVUZCRFMY-JFUPDXTOSA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000531947963 334302505 /nfs/dbraw/zinc/30/25/05/334302505.db2.gz UYZPYGPNFWSBPA-YOEHRIQHSA-N 1 0 310.397 4.111 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000531947960 334302528 /nfs/dbraw/zinc/30/25/28/334302528.db2.gz UYZPYGPNFWSBPA-PBHICJAKSA-N 1 0 310.397 4.111 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000049155779 334322667 /nfs/dbraw/zinc/32/26/67/334322667.db2.gz KPBRSEQKCYWJBR-STQMWFEESA-N 1 0 304.415 4.247 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000531983856 334358664 /nfs/dbraw/zinc/35/86/64/334358664.db2.gz CKWRZYJASGLGPX-PBHICJAKSA-N 1 0 308.422 4.005 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000050015561 334361849 /nfs/dbraw/zinc/36/18/49/334361849.db2.gz WFQDWNGWDMCPMT-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCc2sccc21 ZINC000341558878 334452269 /nfs/dbraw/zinc/45/22/69/334452269.db2.gz FKBRLMYLBUEVBS-CSPWOOARSA-N 1 0 314.410 4.337 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000467857591 334607718 /nfs/dbraw/zinc/60/77/18/334607718.db2.gz ZUNPCCBTTVACAI-VXGBXAGGSA-N 1 0 320.339 4.327 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000417344480 334705925 /nfs/dbraw/zinc/70/59/25/334705925.db2.gz SCYMLQLGVULGKI-GVAFMPQTSA-N 1 0 316.426 4.499 20 5 DIBDRO COCCC(C)(C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344420 334706056 /nfs/dbraw/zinc/70/60/56/334706056.db2.gz QCOZRQPOXJOFPH-QGZVFWFLSA-N 1 0 320.433 4.015 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2occc21 ZINC000344473626 335251883 /nfs/dbraw/zinc/25/18/83/335251883.db2.gz FVUIJZWTNQYWRJ-XJKSGUPXSA-N 1 0 314.385 4.176 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468620303 335304935 /nfs/dbraw/zinc/30/49/35/335304935.db2.gz JDGDIESQDHNTBO-ZMRGCFQXSA-N 1 0 320.458 4.262 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000532229014 335921123 /nfs/dbraw/zinc/92/11/23/335921123.db2.gz WJRZPUVYWVFZSJ-KBPBESRZSA-N 1 0 316.405 4.092 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000532236127 335923123 /nfs/dbraw/zinc/92/31/23/335923123.db2.gz YCYZYPMRRUUDEG-QWHCGFSZSA-N 1 0 304.415 4.186 20 5 DIBDRO C[C@H]([NH2+]CCCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000526123961 336220342 /nfs/dbraw/zinc/22/03/42/336220342.db2.gz PTBLGFIASGNPKM-HNNXBMFYSA-N 1 0 314.385 4.105 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000352799093 336238184 /nfs/dbraw/zinc/23/81/84/336238184.db2.gz WHHYKZUYJWTPCD-INIZCTEOSA-N 1 0 302.349 4.017 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000532462994 336248884 /nfs/dbraw/zinc/24/88/84/336248884.db2.gz RLWBKGMEIXDGMD-KZULUSFZSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000532478545 336251380 /nfs/dbraw/zinc/25/13/80/336251380.db2.gz NKTOZELVMOORMY-YPMHNXCESA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000532500426 336252144 /nfs/dbraw/zinc/25/21/44/336252144.db2.gz XKZHSJIWULQDGX-MLGOLLRUSA-N 1 0 314.410 4.401 20 5 DIBDRO C[C@H](NCC(F)(F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000580381699 336262843 /nfs/dbraw/zinc/26/28/43/336262843.db2.gz RBHDJFQLEZEGFQ-LBPRGKRZSA-N 1 0 306.312 4.037 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000527042302 336280795 /nfs/dbraw/zinc/28/07/95/336280795.db2.gz ROFCPZVJIVALQG-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000105022338 336286894 /nfs/dbraw/zinc/28/68/94/336286894.db2.gz MHWJXUWDVPQZLX-AWEZNQCLSA-N 1 0 314.385 4.187 20 5 DIBDRO C[C@@H]([NH2+]C(C)(C)CNc1sccc1[N+](=O)[O-])c1ccccc1 ZINC000301976214 336340997 /nfs/dbraw/zinc/34/09/97/336340997.db2.gz CJFBXNCVPSPPBH-GFCCVEGCSA-N 1 0 319.430 4.198 20 5 DIBDRO Cc1ccc2[nH+]ccc(N3CCc4ccc([N+](=O)[O-])cc4C3)c2c1 ZINC000302215779 336354411 /nfs/dbraw/zinc/35/44/11/336354411.db2.gz JBRILBGPMXTKMM-UHFFFAOYSA-N 1 0 319.364 4.014 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCC(F)(F)C2)C2CC2)cc1 ZINC000514130918 336375001 /nfs/dbraw/zinc/37/50/01/336375001.db2.gz QNPALWBWJSMEAQ-AWEZNQCLSA-N 1 0 324.371 4.385 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000193079368 336395453 /nfs/dbraw/zinc/39/54/53/336395453.db2.gz FJGQAJGCODFYGQ-LLVKDONJSA-N 1 0 322.311 4.047 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000389494205 336396768 /nfs/dbraw/zinc/39/67/68/336396768.db2.gz TXJYFWVCAGAJLU-MRXNPFEDSA-N 1 0 302.349 4.283 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000105036091 336397053 /nfs/dbraw/zinc/39/70/53/336397053.db2.gz MWKXANISZHMJCB-NSHDSACASA-N 1 0 306.312 4.066 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000359225836 336663590 /nfs/dbraw/zinc/66/35/90/336663590.db2.gz GETICLQPTNHJHN-YVEFUNNKSA-N 1 0 317.364 4.321 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(C)cc1 ZINC000172601706 337130234 /nfs/dbraw/zinc/13/02/34/337130234.db2.gz KXDUDZGYTVPIQZ-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000181776367 337184689 /nfs/dbraw/zinc/18/46/89/337184689.db2.gz VWOMDVIIMSKVPW-JKSUJKDBSA-N 1 0 317.389 4.392 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000321291052 337254775 /nfs/dbraw/zinc/25/47/75/337254775.db2.gz OOCVZHCBQNKGBF-CQSZACIVSA-N 1 0 316.376 4.244 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000584664860 337379249 /nfs/dbraw/zinc/37/92/49/337379249.db2.gz SLNHNYXFJTYOJY-INIZCTEOSA-N 1 0 312.344 4.000 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(C(F)F)CC1 ZINC000419791319 337492333 /nfs/dbraw/zinc/49/23/33/337492333.db2.gz WAGBYJBLWSAKSM-FMIVXFBMSA-N 1 0 324.371 4.412 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](c1cccs1)C1CC1 ZINC000571820818 337578148 /nfs/dbraw/zinc/57/81/48/337578148.db2.gz WTUZMRCEVVXYRK-PBHICJAKSA-N 1 0 314.410 4.385 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000421866508 337656692 /nfs/dbraw/zinc/65/66/92/337656692.db2.gz BBVXKOUTBACMEY-SFHVURJKSA-N 1 0 313.401 4.238 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000396878806 337733871 /nfs/dbraw/zinc/73/38/71/337733871.db2.gz GOZGIHYJFOIURI-ONGXEEELSA-N 1 0 304.312 4.142 20 5 DIBDRO CCC[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000536835623 337735063 /nfs/dbraw/zinc/73/50/63/337735063.db2.gz VDZIRFUYTXHIAT-IAGOWNOFSA-N 1 0 322.449 4.069 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000536842164 337737944 /nfs/dbraw/zinc/73/79/44/337737944.db2.gz XATRKWUYTQZJLH-CYBMUJFWSA-N 1 0 318.417 4.224 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000536842170 337738041 /nfs/dbraw/zinc/73/80/41/337738041.db2.gz XATRKWUYTQZJLH-ZDUSSCGKSA-N 1 0 318.417 4.224 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC(c2ccccc2)C1 ZINC000575071665 338521616 /nfs/dbraw/zinc/52/16/16/338521616.db2.gz BWGXAXJPGGONNM-JMLCCBQJSA-N 1 0 308.381 4.118 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000536851054 337745347 /nfs/dbraw/zinc/74/53/47/337745347.db2.gz IHGBLQHHTBQIDB-GFCCVEGCSA-N 1 0 316.426 4.386 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000536911378 337847774 /nfs/dbraw/zinc/84/77/74/337847774.db2.gz VLVNCRBLMFQNAO-DAYGRLMNSA-N 1 0 320.433 4.005 20 5 DIBDRO CCOCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000122472257 337919658 /nfs/dbraw/zinc/91/96/58/337919658.db2.gz OYAFSURBYKLGSP-HNNXBMFYSA-N 1 0 320.433 4.232 20 5 DIBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537246293 337927385 /nfs/dbraw/zinc/92/73/85/337927385.db2.gz HUEYZBHPZHSRRS-MNOVXSKESA-N 1 0 320.776 4.254 20 5 DIBDRO CCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000084202035 338001414 /nfs/dbraw/zinc/00/14/14/338001414.db2.gz IJGXTXIPVQDFMN-UHFFFAOYSA-N 1 0 304.777 4.100 20 5 DIBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000516197305 338006529 /nfs/dbraw/zinc/00/65/29/338006529.db2.gz ZHJSLHLVIROSDW-CYBMUJFWSA-N 1 0 302.349 4.317 20 5 DIBDRO CCCC[C@H](CC)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425996194 338019366 /nfs/dbraw/zinc/01/93/66/338019366.db2.gz ONDJTDXKYQYJFF-HNNXBMFYSA-N 1 0 322.453 4.035 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CCS[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000426380802 338029708 /nfs/dbraw/zinc/02/97/08/338029708.db2.gz WWHREBKFYBFTRW-ZDUSSCGKSA-N 1 0 308.447 4.046 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)o2)c1 ZINC000428455690 338052670 /nfs/dbraw/zinc/05/26/70/338052670.db2.gz JXXSJXGYPOHCQG-DYVFJYSZSA-N 1 0 312.369 4.229 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000428456510 338052690 /nfs/dbraw/zinc/05/26/90/338052690.db2.gz FMVHRDJGGJSLPX-GUYCJALGSA-N 1 0 312.369 4.229 20 5 DIBDRO Cc1c(C[NH2+]C(C)(C)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000429250159 338074805 /nfs/dbraw/zinc/07/48/05/338074805.db2.gz WZQSCJPMEPKNLO-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000430741351 338113082 /nfs/dbraw/zinc/11/30/82/338113082.db2.gz ISUZWNXETBKLHK-WFASDCNBSA-N 1 0 312.360 4.461 20 5 DIBDRO CSCCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433261212 338188630 /nfs/dbraw/zinc/18/86/30/338188630.db2.gz MZWLEGWHVUEGDR-OAHLLOKOSA-N 1 0 308.447 4.050 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000152800704 338212134 /nfs/dbraw/zinc/21/21/34/338212134.db2.gz MPGHTIQUNCECKW-SCLBCKFNSA-N 1 0 314.385 4.405 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000434495354 338218562 /nfs/dbraw/zinc/21/85/62/338218562.db2.gz VBKCNNRQCOJDEH-UHFFFAOYSA-N 1 0 314.360 4.056 20 5 DIBDRO CCC[C@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435024646 338229849 /nfs/dbraw/zinc/22/98/49/338229849.db2.gz FGFDGHMDIUTXFT-QGZVFWFLSA-N 1 0 317.389 4.138 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000435731009 338246615 /nfs/dbraw/zinc/24/66/15/338246615.db2.gz JGBZIFBRQQYHJF-KOMQPUFPSA-N 1 0 316.788 4.284 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000435733281 338246766 /nfs/dbraw/zinc/24/67/66/338246766.db2.gz SDZFRVWCQZAARZ-KOMQPUFPSA-N 1 0 316.788 4.284 20 5 DIBDRO Cc1c(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000155031062 338253363 /nfs/dbraw/zinc/25/33/63/338253363.db2.gz GSTNZGIDEBOCDH-SFHVURJKSA-N 1 0 314.360 4.283 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436280046 338265441 /nfs/dbraw/zinc/26/54/41/338265441.db2.gz CNQZGFATHXXPFK-ATZDWAIDSA-N 1 0 324.424 4.452 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000436408572 338271331 /nfs/dbraw/zinc/27/13/31/338271331.db2.gz HOWCYOURHOOSEW-LLVKDONJSA-N 1 0 313.332 4.066 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2ccccc21 ZINC000447945102 338572508 /nfs/dbraw/zinc/57/25/08/338572508.db2.gz VCEQKDCGTSTOHG-KWRJMZDGSA-N 1 0 308.381 4.275 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453214540 338808884 /nfs/dbraw/zinc/80/88/84/338808884.db2.gz DMGKXGKTZRHJOY-JSGCOSHPSA-N 1 0 314.410 4.135 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCSc2ccccc2)cc1[N+](=O)[O-] ZINC000195678291 338913997 /nfs/dbraw/zinc/91/39/97/338913997.db2.gz KJOSAOHCUNZJTL-AWEZNQCLSA-N 1 0 316.426 4.346 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCC(C(F)F)CC1 ZINC000459719168 339044200 /nfs/dbraw/zinc/04/42/00/339044200.db2.gz VLLYAVKPHUTFMH-HWKANZROSA-N 1 0 310.344 4.022 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000459774091 339047727 /nfs/dbraw/zinc/04/77/27/339047727.db2.gz VZPSYHHNORAXTR-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000462733361 339085507 /nfs/dbraw/zinc/08/55/07/339085507.db2.gz HVWVOXUGKZEQHD-SQWLQELKSA-N 1 0 318.417 4.052 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000464723771 339149960 /nfs/dbraw/zinc/14/99/60/339149960.db2.gz CHOMIMMWVCNZPB-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000464831185 339156030 /nfs/dbraw/zinc/15/60/30/339156030.db2.gz JYTJFXXMTCYONA-SUMWQHHRSA-N 1 0 314.385 4.469 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000467189505 339227545 /nfs/dbraw/zinc/22/75/45/339227545.db2.gz DXQSCENFCKTLGW-CABCVRRESA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(c2ccccc2)C1 ZINC000467443593 339239085 /nfs/dbraw/zinc/23/90/85/339239085.db2.gz CNQZGFATHXXPFK-MNNVXMFVSA-N 1 0 324.424 4.452 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000467838008 339247325 /nfs/dbraw/zinc/24/73/25/339247325.db2.gz DKSGGUCDEULZLR-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467845821 339247514 /nfs/dbraw/zinc/24/75/14/339247514.db2.gz GYQMVZQQXVOEJF-CQSZACIVSA-N 1 0 314.385 4.103 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000467857589 339247849 /nfs/dbraw/zinc/24/78/49/339247849.db2.gz ZUNPCCBTTVACAI-NWDGAFQWSA-N 1 0 320.339 4.327 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000468000659 339250894 /nfs/dbraw/zinc/25/08/94/339250894.db2.gz QVCGEMORRKKDIO-MRXNPFEDSA-N 1 0 320.339 4.156 20 5 DIBDRO Cc1cccc(C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000468000783 339250927 /nfs/dbraw/zinc/25/09/27/339250927.db2.gz AFXHQBFBHXLEOR-LJQANCHMSA-N 1 0 324.424 4.057 20 5 DIBDRO C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468041120 339252457 /nfs/dbraw/zinc/25/24/57/339252457.db2.gz SYBBXKKCNPFTRO-NSHDSACASA-N 1 0 324.833 4.421 20 5 DIBDRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468385192 339261273 /nfs/dbraw/zinc/26/12/73/339261273.db2.gz UZVXYWQLZXZSOU-GJZGRUSLSA-N 1 0 316.401 4.120 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(F)(F)CC1 ZINC000468593705 339266996 /nfs/dbraw/zinc/26/69/96/339266996.db2.gz BHMSASSSOLOVQV-XFXZXTDPSA-N 1 0 310.344 4.166 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1sccc1C ZINC000468621500 339267273 /nfs/dbraw/zinc/26/72/73/339267273.db2.gz REMGYUVAPAYVIU-JLHYYAGUSA-N 1 0 316.426 4.200 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000468644626 339267873 /nfs/dbraw/zinc/26/78/73/339267873.db2.gz DMHUGVFOQGZBKQ-ZROIWOOFSA-N 1 0 321.380 4.269 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC000469235344 339283796 /nfs/dbraw/zinc/28/37/96/339283796.db2.gz YKYCVUXMQBJGLX-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000469774211 339298700 /nfs/dbraw/zinc/29/87/00/339298700.db2.gz DJRDLMSQBOBPDI-UHOFOFEASA-N 1 0 308.447 4.310 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000470173319 339312732 /nfs/dbraw/zinc/31/27/32/339312732.db2.gz AQSCETHXYDUSFA-BJRSVTDJSA-N 1 0 311.385 4.163 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000470207164 339314268 /nfs/dbraw/zinc/31/42/68/339314268.db2.gz NFFMNMPWPPQTOT-HWKANZROSA-N 1 0 312.413 4.166 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000470207168 339314274 /nfs/dbraw/zinc/31/42/74/339314274.db2.gz NFFMNMPWPPQTOT-HYXAFXHYSA-N 1 0 312.413 4.166 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1cccc(O)c1 ZINC000471184043 339339865 /nfs/dbraw/zinc/33/98/65/339339865.db2.gz XKJKLIHKQPMBLD-CQSZACIVSA-N 1 0 314.385 4.192 20 5 DIBDRO CC(C)(CF)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000472138898 339364109 /nfs/dbraw/zinc/36/41/09/339364109.db2.gz SVXGRQQBPTZSAX-UHFFFAOYSA-N 1 0 308.378 4.161 20 5 DIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000474796827 339426423 /nfs/dbraw/zinc/42/64/23/339426423.db2.gz BZBJYCQXKYEGSJ-AWEZNQCLSA-N 1 0 322.474 4.039 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475328479 339446632 /nfs/dbraw/zinc/44/66/32/339446632.db2.gz BUODRHRIDSJGRI-WMLDXEAASA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2cc3c(s2)CCC3)cccc1[N+](=O)[O-] ZINC000477745424 339500370 /nfs/dbraw/zinc/50/03/70/339500370.db2.gz VJLUJWUVVVMYTP-LBPRGKRZSA-N 1 0 316.426 4.304 20 5 DIBDRO CSCCCCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000479599071 339543109 /nfs/dbraw/zinc/54/31/09/339543109.db2.gz HRVCFJSLVHPJCC-UHFFFAOYSA-N 1 0 310.463 4.341 20 5 DIBDRO Cc1ccccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480087561 339558494 /nfs/dbraw/zinc/55/84/94/339558494.db2.gz PRRIIAXQRCOEBY-GOSISDBHSA-N 1 0 310.397 4.014 20 5 DIBDRO Cc1c(C[NH2+]Cc2cccn2CCC(C)C)cccc1[N+](=O)[O-] ZINC000480484828 339574543 /nfs/dbraw/zinc/57/45/43/339574543.db2.gz XIGWYGRTZBHKHF-UHFFFAOYSA-N 1 0 315.417 4.041 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C2(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480681506 339583091 /nfs/dbraw/zinc/58/30/91/339583091.db2.gz ZUDRNKCFDONKDL-HNNXBMFYSA-N 1 0 310.397 4.329 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCCO[C@@H]1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000480753220 339585978 /nfs/dbraw/zinc/58/59/78/339585978.db2.gz AXYODICJGGXIJG-RCCFBDPRSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481045038 339594375 /nfs/dbraw/zinc/59/43/75/339594375.db2.gz GBWPISOJXNOZAS-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000481837737 339615110 /nfs/dbraw/zinc/61/51/10/339615110.db2.gz PVFBARGCAYPVDG-UKRRQHHQSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1ccc(OCCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000482048680 339621043 /nfs/dbraw/zinc/62/10/43/339621043.db2.gz XUQOMFRDQZYMQN-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CSc3ccccc32)cccc1[N+](=O)[O-] ZINC000483174546 339655200 /nfs/dbraw/zinc/65/52/00/339655200.db2.gz QZPNZNMIKYKARI-DOMZBBRYSA-N 1 0 314.410 4.401 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000483619883 339669655 /nfs/dbraw/zinc/66/96/55/339669655.db2.gz HFUAXVPQSLFUHO-KBPBESRZSA-N 1 0 316.426 4.426 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000483654639 339671014 /nfs/dbraw/zinc/67/10/14/339671014.db2.gz OHWDBXSSGXFBCQ-UKRRQHHQSA-N 1 0 316.401 4.477 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC=CCC2)cc(C(F)(F)F)c1 ZINC000487195887 339745949 /nfs/dbraw/zinc/74/59/49/339745949.db2.gz XTTFSFCEWRADLG-LLVKDONJSA-N 1 0 314.307 4.060 20 5 DIBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488453519 339783454 /nfs/dbraw/zinc/78/34/54/339783454.db2.gz ZXFSBKZICJOTTD-NVXWUHKLSA-N 1 0 322.474 4.037 20 5 DIBDRO CCOc1cc(C[NH2+][C@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC000491607520 339868531 /nfs/dbraw/zinc/86/85/31/339868531.db2.gz PAXBGLGYHZWEAR-GFCCVEGCSA-N 1 0 318.373 4.054 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CC=CCC2)c2ccccc2)c1 ZINC000494039523 339939586 /nfs/dbraw/zinc/93/95/86/339939586.db2.gz PHYJACDVUSSVRG-PKOBYXMFSA-N 1 0 308.381 4.383 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494468321 339950304 /nfs/dbraw/zinc/95/03/04/339950304.db2.gz SGSBWNUKYZHTIR-NXEZZACHSA-N 1 0 304.312 4.138 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000500374400 340055968 /nfs/dbraw/zinc/05/59/68/340055968.db2.gz FQYNZBKLWUAFAJ-JEMSNHSXSA-N 1 0 324.371 4.413 20 5 DIBDRO C[C@H]1C[C@]1([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000500394593 340056416 /nfs/dbraw/zinc/05/64/16/340056416.db2.gz FGESOMQHNLZSJO-YVEFUNNKSA-N 1 0 316.788 4.273 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000500424534 340058006 /nfs/dbraw/zinc/05/80/06/340058006.db2.gz LCHLULBUBYGNTF-IRBQFCFKSA-N 1 0 310.344 4.023 20 5 DIBDRO CC[C@H]1C[C@@]1([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500537666 340061788 /nfs/dbraw/zinc/06/17/88/340061788.db2.gz UKRVGPXTBLZSSK-LPHOPBHVSA-N 1 0 310.397 4.318 20 5 DIBDRO CCSCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000502566384 340108043 /nfs/dbraw/zinc/10/80/43/340108043.db2.gz QVEVCHUGFLEXAH-OAHLLOKOSA-N 1 0 308.447 4.050 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000502591105 340108679 /nfs/dbraw/zinc/10/86/79/340108679.db2.gz KHEAIEPGFZXQCZ-STQMWFEESA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000503862634 340135481 /nfs/dbraw/zinc/13/54/81/340135481.db2.gz YDDHZFJJASUVMG-GFCCVEGCSA-N 1 0 312.360 4.379 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000504912226 340155979 /nfs/dbraw/zinc/15/59/79/340155979.db2.gz SIOQQJGOSBQRCP-KGLIPLIRSA-N 1 0 304.390 4.000 20 5 DIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000516598641 340171246 /nfs/dbraw/zinc/17/12/46/340171246.db2.gz BYISSAKWRAILSS-SFHVURJKSA-N 1 0 314.385 4.187 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000506204575 340188712 /nfs/dbraw/zinc/18/87/12/340188712.db2.gz PCQKJZYZHNNBKO-MRXNPFEDSA-N 1 0 316.788 4.068 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000506267276 340190489 /nfs/dbraw/zinc/19/04/89/340190489.db2.gz GXRDUWLWYBJCDT-HJLMUGLJSA-N 1 0 308.381 4.445 20 5 DIBDRO COc1ccc(C[N@H+](Cc2cccs2)C(C)C)cc1[N+](=O)[O-] ZINC000507007026 340205310 /nfs/dbraw/zinc/20/53/10/340205310.db2.gz KDLDPEHJMLEDBN-UHFFFAOYSA-N 1 0 320.414 4.076 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000507079432 340206742 /nfs/dbraw/zinc/20/67/42/340206742.db2.gz XCJOAYPAKGRYTN-WGLAMXGCSA-N 1 0 308.381 4.098 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000507079429 340206748 /nfs/dbraw/zinc/20/67/48/340206748.db2.gz XCJOAYPAKGRYTN-OEPRFQHASA-N 1 0 308.381 4.098 20 5 DIBDRO COc1ccsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000507175104 340211179 /nfs/dbraw/zinc/21/11/79/340211179.db2.gz UVAJYRNUCISLBZ-UHFFFAOYSA-N 1 0 320.414 4.076 20 5 DIBDRO C[C@@H](c1ccccc1Cl)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000507214907 340213935 /nfs/dbraw/zinc/21/39/35/340213935.db2.gz RECZDONBDBPGNH-NSHDSACASA-N 1 0 320.776 4.147 20 5 DIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509009152 340258026 /nfs/dbraw/zinc/25/80/26/340258026.db2.gz XTXKYGKBSAOLAQ-RYUDHWBXSA-N 1 0 320.339 4.155 20 5 DIBDRO CC[C@@H](C)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000509376123 340267707 /nfs/dbraw/zinc/26/77/07/340267707.db2.gz ZBBASPXXICRIBX-GFCCVEGCSA-N 1 0 319.430 4.196 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000302951320 340289619 /nfs/dbraw/zinc/28/96/19/340289619.db2.gz DTVHFFQIJAZCEE-UHFFFAOYSA-N 1 0 314.360 4.146 20 5 DIBDRO CC[C@H]([NH2+][C@@H](CCOC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000511019960 340318387 /nfs/dbraw/zinc/31/83/87/340318387.db2.gz WVEDYFFZBHOQKH-HOTGVXAUSA-N 1 0 308.422 4.087 20 5 DIBDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511108260 340321183 /nfs/dbraw/zinc/32/11/83/340321183.db2.gz PUZNAXXVBYZIRB-LBPRGKRZSA-N 1 0 320.339 4.109 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(F)F)c1 ZINC000511126819 340321762 /nfs/dbraw/zinc/32/17/62/340321762.db2.gz QTFDPMPSJHDPPW-UHFFFAOYSA-N 1 0 320.339 4.207 20 5 DIBDRO CCS[C@H]1CCCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000303495286 340328181 /nfs/dbraw/zinc/32/81/81/340328181.db2.gz WYSUPLYSTXOGJI-BBRMVZONSA-N 1 0 308.447 4.263 20 5 DIBDRO CCS[C@@H]1CCCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000303495288 340328247 /nfs/dbraw/zinc/32/82/47/340328247.db2.gz WYSUPLYSTXOGJI-CZUORRHYSA-N 1 0 308.447 4.263 20 5 DIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000303531874 340331232 /nfs/dbraw/zinc/33/12/32/340331232.db2.gz DYNBWARUXQPRJG-GOSISDBHSA-N 1 0 310.397 4.110 20 5 DIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000303552740 340333227 /nfs/dbraw/zinc/33/32/27/340333227.db2.gz HIIBNVPLRDPKJV-FQEVSTJZSA-N 1 0 324.424 4.153 20 5 DIBDRO Cc1nc(C)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000172761345 340340071 /nfs/dbraw/zinc/34/00/71/340340071.db2.gz CSRHPVNXVMEMON-UHFFFAOYSA-N 1 0 319.430 4.079 20 5 DIBDRO C[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000512101957 340348545 /nfs/dbraw/zinc/34/85/45/340348545.db2.gz WQECZTCQOLNFDN-VSQXVHSFSA-N 1 0 318.323 4.237 20 5 DIBDRO CSCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000512978251 340386532 /nfs/dbraw/zinc/38/65/32/340386532.db2.gz ZUOHFSZXFUGQPW-UHFFFAOYSA-N 1 0 316.426 4.056 20 5 DIBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000513099955 340393183 /nfs/dbraw/zinc/39/31/83/340393183.db2.gz DNDVGINDJJEVQI-RISCZKNCSA-N 1 0 302.399 4.211 20 5 DIBDRO CC(C)(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000520954383 340477706 /nfs/dbraw/zinc/47/77/06/340477706.db2.gz WTOJNVLUSPOMNV-UHFFFAOYSA-N 1 0 302.374 4.381 20 5 DIBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000520957497 340477887 /nfs/dbraw/zinc/47/78/87/340477887.db2.gz DBCJEQPFCSHXKA-MLGOLLRUSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCSCC2)cc1[N+](=O)[O-] ZINC000187360640 340519282 /nfs/dbraw/zinc/51/92/82/340519282.db2.gz OKLLJGMZUXTSQP-QWHCGFSZSA-N 1 0 308.447 4.086 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000231791857 340626147 /nfs/dbraw/zinc/62/61/47/340626147.db2.gz SIQFOPBHUVMPJN-GWCFXTLKSA-N 1 0 304.312 4.367 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000037668347 340785929 /nfs/dbraw/zinc/78/59/29/340785929.db2.gz QEHCPLULUZMUPQ-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000537950824 340792930 /nfs/dbraw/zinc/79/29/30/340792930.db2.gz NWJGEOGBBDGGCK-ZDUSSCGKSA-N 1 0 310.353 4.234 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1cccs1 ZINC000537963280 340793795 /nfs/dbraw/zinc/79/37/95/340793795.db2.gz GHEIPCFTUVIJCQ-CYBMUJFWSA-N 1 0 304.415 4.248 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000537990685 340806052 /nfs/dbraw/zinc/80/60/52/340806052.db2.gz JYDPGIZEDQEZSE-INIZCTEOSA-N 1 0 302.761 4.025 20 5 DIBDRO CCC[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000539037879 340865971 /nfs/dbraw/zinc/86/59/71/340865971.db2.gz POTOFLGCRFBGHA-SZMVWBNQSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000542529400 341012347 /nfs/dbraw/zinc/01/23/47/341012347.db2.gz BNHOWDGPOOLRHA-LBPRGKRZSA-N 1 0 320.414 4.003 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000071307108 341028647 /nfs/dbraw/zinc/02/86/47/341028647.db2.gz OIRGTBQJWBSHPF-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000544364454 341078230 /nfs/dbraw/zinc/07/82/30/341078230.db2.gz AFWHEKFTHJICNL-CABCVRRESA-N 1 0 320.433 4.013 20 5 DIBDRO CS[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000544384796 341079504 /nfs/dbraw/zinc/07/95/04/341079504.db2.gz CYFSMAGPCHDOEO-DOMZBBRYSA-N 1 0 310.463 4.332 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000544608647 341088707 /nfs/dbraw/zinc/08/87/07/341088707.db2.gz UYEQJYMTKZVZJW-GFCCVEGCSA-N 1 0 320.339 4.374 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000544833561 341095565 /nfs/dbraw/zinc/09/55/65/341095565.db2.gz WXVDKSMQDJQXFM-DGCLKSJQSA-N 1 0 304.312 4.367 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000546582723 341173533 /nfs/dbraw/zinc/17/35/33/341173533.db2.gz SXUQJERKZNQLOQ-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000547286821 341203664 /nfs/dbraw/zinc/20/36/64/341203664.db2.gz JABOAGQUNKIXOG-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC000237340860 341212094 /nfs/dbraw/zinc/21/20/94/341212094.db2.gz QQSSDXZMAAAEBM-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000078971021 341250894 /nfs/dbraw/zinc/25/08/94/341250894.db2.gz LOQUJGSCETYEAR-MNOVXSKESA-N 1 0 306.312 4.285 20 5 DIBDRO C[C@H](c1ccc(F)cc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174399 341288092 /nfs/dbraw/zinc/28/80/92/341288092.db2.gz ZWWXVZMXUZKZGF-GFCCVEGCSA-N 1 0 320.339 4.109 20 5 DIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)(C)C ZINC000549405302 341293433 /nfs/dbraw/zinc/29/34/33/341293433.db2.gz ICRWTBNPDYPAQA-UHFFFAOYSA-N 1 0 304.312 4.092 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1coc2ccccc12 ZINC000549823702 341304189 /nfs/dbraw/zinc/30/41/89/341304189.db2.gz XFVOITLGAJVSKT-ALCCZGGFSA-N 1 0 308.337 4.144 20 5 DIBDRO CC(C)C1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000549874838 341305713 /nfs/dbraw/zinc/30/57/13/341305713.db2.gz QEKNOPCVVFTGOD-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000550895026 341326047 /nfs/dbraw/zinc/32/60/47/341326047.db2.gz JQWGZRGOFVEOBS-JLSDUUJJSA-N 1 0 310.397 4.358 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000551274714 341336752 /nfs/dbraw/zinc/33/67/52/341336752.db2.gz VBRPQKUHAVDXFG-HFTRVMKXSA-N 1 0 310.397 4.358 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)cc1 ZINC000552316820 341386019 /nfs/dbraw/zinc/38/60/19/341386019.db2.gz NPNFAMOXTFDBJQ-SFHVURJKSA-N 1 0 308.381 4.322 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CF)s2)cc1 ZINC000552391914 341390936 /nfs/dbraw/zinc/39/09/36/341390936.db2.gz BYNXUXUVEBPGGV-CQSZACIVSA-N 1 0 320.389 4.257 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552515102 341397059 /nfs/dbraw/zinc/39/70/59/341397059.db2.gz YJKCHBZUIOBMEX-CJNGLKHVSA-N 1 0 314.360 4.284 20 5 DIBDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000555577768 341485646 /nfs/dbraw/zinc/48/56/46/341485646.db2.gz RIKGJDXEVZPOPX-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266454845 341587481 /nfs/dbraw/zinc/58/74/81/341587481.db2.gz KHWNDLXLILVMAQ-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000572731564 341702281 /nfs/dbraw/zinc/70/22/81/341702281.db2.gz QPSOXVUREVTRKI-GXSJLCMTSA-N 1 0 304.312 4.142 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000178088333 341944018 /nfs/dbraw/zinc/94/40/18/341944018.db2.gz AFRLAJQPUKXCEV-PXAZEXFGSA-N 1 0 314.360 4.380 20 5 DIBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000164115537 519816095 /nfs/dbraw/zinc/81/60/95/519816095.db2.gz HWWKBTKPPKUYRM-KSSFIOAISA-N 1 0 313.401 4.080 20 5 DIBDRO CC[C@H]([NH2+]Cc1cnc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000337197550 522661611 /nfs/dbraw/zinc/66/16/11/522661611.db2.gz YQXXLVBHXFJJNO-SFHVURJKSA-N 1 0 321.380 4.384 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192785937 522938974 /nfs/dbraw/zinc/93/89/74/522938974.db2.gz VMFDXCAFCVHBJH-FZKQIMNGSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000182215563 525285540 /nfs/dbraw/zinc/28/55/40/525285540.db2.gz VEIQPFMYEXTTKJ-LBPRGKRZSA-N 1 0 300.333 4.074 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc([N+](=O)[O-])cc1 ZINC000267415618 525631158 /nfs/dbraw/zinc/63/11/58/525631158.db2.gz JCLNFXWXXFQUAA-GTNSWQLSSA-N 1 0 300.333 4.072 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000127536797 525646752 /nfs/dbraw/zinc/64/67/52/525646752.db2.gz APFGJMCFHQACGV-GDBMZVCRSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000130429469 525725141 /nfs/dbraw/zinc/72/51/41/525725141.db2.gz GCYHRSNRCQCYQX-LLVKDONJSA-N 1 0 304.312 4.286 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000127228552 525743792 /nfs/dbraw/zinc/74/37/92/525743792.db2.gz AFCPRGDQFUTPBF-GDBMZVCRSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000186560101 526404973 /nfs/dbraw/zinc/40/49/73/526404973.db2.gz QQCIIFNHFXKORO-AAEUAGOBSA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000610216126 1035751311 /nfs/dbraw/zinc/75/13/11/1035751311.db2.gz NQTSPDVPXAFRER-CZUORRHYSA-N 1 0 316.426 4.282 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000610216014 1035751768 /nfs/dbraw/zinc/75/17/68/1035751768.db2.gz BMWCANNQKTXGEZ-BEFAXECRSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000070788207 1036265557 /nfs/dbraw/zinc/26/55/57/1036265557.db2.gz MPESSTNWZWFISU-WDEREUQCSA-N 1 0 306.312 4.285 20 5 DIBDRO CCOc1cc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001167227521 1036295159 /nfs/dbraw/zinc/29/51/59/1036295159.db2.gz RTDJELCWQUHBTF-ZFWWWQNUSA-N 1 0 306.406 4.004 20 5 DIBDRO Cc1c2ccccc2oc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579494217 1037003222 /nfs/dbraw/zinc/00/32/22/1037003222.db2.gz HAJWPPKRQAUQEO-INIZCTEOSA-N 1 0 322.364 4.427 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579610678 1037102119 /nfs/dbraw/zinc/10/21/19/1037102119.db2.gz BAPBMSXWHXNDGR-JLBUNGTFSA-N 1 0 308.381 4.105 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000119086314 1037111466 /nfs/dbraw/zinc/11/14/66/1037111466.db2.gz HJDRMEYNCUCFIB-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000050443482 1037270457 /nfs/dbraw/zinc/27/04/57/1037270457.db2.gz QPSRKOOKFWSXLK-OAHLLOKOSA-N 1 0 302.761 4.025 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000580862178 1037336658 /nfs/dbraw/zinc/33/66/58/1037336658.db2.gz JKFHFCNLXSIKBG-CYBMUJFWSA-N 1 0 322.817 4.395 20 5 DIBDRO CC(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000610581570 1037640815 /nfs/dbraw/zinc/64/08/15/1037640815.db2.gz UIQMIGNFHVZRQJ-UHFFFAOYSA-N 1 0 317.389 4.137 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000061047906 1038182827 /nfs/dbraw/zinc/18/28/27/1038182827.db2.gz VRBSCPVTBQUFGA-UHFFFAOYSA-N 1 0 312.394 4.408 20 5 DIBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581460 1038202264 /nfs/dbraw/zinc/20/22/64/1038202264.db2.gz FPYAXRUMJCZCGH-CYBMUJFWSA-N 1 0 317.389 4.137 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000599000631 1038209258 /nfs/dbraw/zinc/20/92/58/1038209258.db2.gz NZSMYBLVVABWRV-CLFYSBASSA-N 1 0 312.360 4.269 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000599000632 1038210439 /nfs/dbraw/zinc/21/04/39/1038210439.db2.gz NZSMYBLVVABWRV-VQHVLOKHSA-N 1 0 312.360 4.269 20 5 DIBDRO Cc1ccc(C[NH2+]CC2(C(F)(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000599013268 1038212796 /nfs/dbraw/zinc/21/27/96/1038212796.db2.gz GFTMWVIQHCABAU-UHFFFAOYSA-N 1 0 316.323 4.116 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000603495558 1038227508 /nfs/dbraw/zinc/22/75/08/1038227508.db2.gz CMZCUBLHUXUIJS-KRWDZBQOSA-N 1 0 310.397 4.113 20 5 DIBDRO C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599086665 1038237254 /nfs/dbraw/zinc/23/72/54/1038237254.db2.gz ROQUZCOAMANPKL-NSHDSACASA-N 1 0 316.323 4.368 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000061255357 1038273136 /nfs/dbraw/zinc/27/31/36/1038273136.db2.gz IYFJDXARXZQHGE-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000603841213 1038293906 /nfs/dbraw/zinc/29/39/06/1038293906.db2.gz RXZAEEQLHDYCDI-GFCCVEGCSA-N 1 0 320.339 4.374 20 5 DIBDRO Cc1c(C[NH+]2CCC(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000603841137 1038294700 /nfs/dbraw/zinc/29/47/00/1038294700.db2.gz ZEKCWDZIKTVQCR-UHFFFAOYSA-N 1 0 310.397 4.283 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000276971706 1038305783 /nfs/dbraw/zinc/30/57/83/1038305783.db2.gz UJMWKBMURLIVDX-AWEZNQCLSA-N 1 0 320.414 4.296 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)o1 ZINC000610787843 1038308865 /nfs/dbraw/zinc/30/88/65/1038308865.db2.gz YUJBACICBBKSSJ-LLVKDONJSA-N 1 0 322.311 4.132 20 5 DIBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000610804638 1038350549 /nfs/dbraw/zinc/35/05/49/1038350549.db2.gz SFBREESZSUGIQY-STQMWFEESA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000610806630 1038352168 /nfs/dbraw/zinc/35/21/68/1038352168.db2.gz WWVQPNPSIVQUGZ-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)CC2CCC2)cs1 ZINC000065161763 1038377170 /nfs/dbraw/zinc/37/71/70/1038377170.db2.gz ZJKLOVFDPPFGCU-UHFFFAOYSA-N 1 0 316.426 4.459 20 5 DIBDRO Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000611561511 1038467706 /nfs/dbraw/zinc/46/77/06/1038467706.db2.gz USFFZHNXTJRSMF-WCQYABFASA-N 1 0 316.323 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000538411152 1038469084 /nfs/dbraw/zinc/46/90/84/1038469084.db2.gz UNYKZGSLZNCQCZ-OLZOCXBDSA-N 1 0 316.323 4.053 20 5 DIBDRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000539081363 1038520082 /nfs/dbraw/zinc/52/00/82/1038520082.db2.gz JECGPUNKKWZUFX-CYBMUJFWSA-N 1 0 310.353 4.234 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H](OC)[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000381113527 1038566145 /nfs/dbraw/zinc/56/61/45/1038566145.db2.gz CPEAGHQFAGESTR-COXVUDFISA-N 1 0 308.422 4.087 20 5 DIBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836523 1038928428 /nfs/dbraw/zinc/92/84/28/1038928428.db2.gz ORJBLPGMNACTRJ-AAEUAGOBSA-N 1 0 302.399 4.069 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000608836531 1038928463 /nfs/dbraw/zinc/92/84/63/1038928463.db2.gz PFBJRDBEPKZQBZ-GFCCVEGCSA-N 1 0 316.426 4.459 20 5 DIBDRO CC1(C)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836563 1038928712 /nfs/dbraw/zinc/92/87/12/1038928712.db2.gz SWPPGTVIEVJPAY-OAHLLOKOSA-N 1 0 302.399 4.211 20 5 DIBDRO CCc1ccc([C@H]([NH2+]CCC2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612411612 1039002927 /nfs/dbraw/zinc/00/29/27/1039002927.db2.gz GIWKMNKQJALZCH-GOSISDBHSA-N 1 0 314.385 4.229 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000178734374 1039069877 /nfs/dbraw/zinc/06/98/77/1039069877.db2.gz HRZJNCDPDWAWHF-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001167656267 1039168231 /nfs/dbraw/zinc/16/82/31/1039168231.db2.gz HQUGKRFIESSRJB-IBGZPJMESA-N 1 0 310.397 4.350 20 5 DIBDRO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000609075791 1039207835 /nfs/dbraw/zinc/20/78/35/1039207835.db2.gz FRAQTGSKHMVPHV-UHFFFAOYSA-N 1 0 318.373 4.142 20 5 DIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000152770742 1039242834 /nfs/dbraw/zinc/24/28/34/1039242834.db2.gz XHYDXYGQPYIDGS-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000152791584 1039263817 /nfs/dbraw/zinc/26/38/17/1039263817.db2.gz JTIDPFYZAJDKBY-NEPJUHHUSA-N 1 0 318.348 4.154 20 5 DIBDRO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000089886041 1039279674 /nfs/dbraw/zinc/27/96/74/1039279674.db2.gz TYRFDLAKVMHBEG-UHFFFAOYSA-N 1 0 315.373 4.014 20 5 DIBDRO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000539822089 1039350641 /nfs/dbraw/zinc/35/06/41/1039350641.db2.gz GZDNHTHLCDLMPS-UHFFFAOYSA-N 1 0 317.414 4.093 20 5 DIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCC1 ZINC000539836061 1039360327 /nfs/dbraw/zinc/36/03/27/1039360327.db2.gz QUCZBPMTAYRKIU-UHFFFAOYSA-N 1 0 302.399 4.308 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cc(C)ccn1 ZINC000601277849 1039394539 /nfs/dbraw/zinc/39/45/39/1039394539.db2.gz JQRLNSMXMZTZRH-MRXNPFEDSA-N 1 0 313.401 4.238 20 5 DIBDRO C[C@H]([NH2+]Cc1cc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000540167014 1039434314 /nfs/dbraw/zinc/43/43/14/1039434314.db2.gz XDIBSYFPLJRXOI-LBPRGKRZSA-N 1 0 316.426 4.386 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000540610035 1039528285 /nfs/dbraw/zinc/52/82/85/1039528285.db2.gz JMGXXMLKUKZHRH-DGCLKSJQSA-N 1 0 316.323 4.053 20 5 DIBDRO CC[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540753978 1039557079 /nfs/dbraw/zinc/55/70/79/1039557079.db2.gz WQJMRVORJJBCCV-QGZVFWFLSA-N 1 0 314.360 4.464 20 5 DIBDRO CCc1ccc([C@H]([NH2+]CC2(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541563813 1039700419 /nfs/dbraw/zinc/70/04/19/1039700419.db2.gz LXYOUROYHJVUGM-QGZVFWFLSA-N 1 0 314.385 4.229 20 5 DIBDRO Cc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])C2CCC2)o1 ZINC000541732193 1039734632 /nfs/dbraw/zinc/73/46/32/1039734632.db2.gz HQZOTXIZGRMBCB-QGZVFWFLSA-N 1 0 300.358 4.127 20 5 DIBDRO CCC[C@]1(C)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000464833439 1039765049 /nfs/dbraw/zinc/76/50/49/1039765049.db2.gz DTQFXFCIOHURTA-QGZVFWFLSA-N 1 0 306.406 4.006 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000090217527 1039765262 /nfs/dbraw/zinc/76/52/62/1039765262.db2.gz BKCYJOMLFPZCMO-OLZOCXBDSA-N 1 0 302.374 4.470 20 5 DIBDRO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000271819807 1039829130 /nfs/dbraw/zinc/82/91/30/1039829130.db2.gz RXGZXWHGSZLHEK-ZWNOBZJWSA-N 1 0 317.414 4.088 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ccccc1[N+](=O)[O-] ZINC000271846094 1039847845 /nfs/dbraw/zinc/84/78/45/1039847845.db2.gz WUAXUATZIQLEKY-QWHCGFSZSA-N 1 0 312.369 4.037 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000491579655 1039859477 /nfs/dbraw/zinc/85/94/77/1039859477.db2.gz SXAVSAHILYKSOB-UHFFFAOYSA-N 1 0 314.360 4.210 20 5 DIBDRO CC(C)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000179158126 1040013606 /nfs/dbraw/zinc/01/36/06/1040013606.db2.gz SHCFUGCYKYUTQG-UHFFFAOYSA-N 1 0 317.389 4.116 20 5 DIBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614187244 1040514962 /nfs/dbraw/zinc/51/49/62/1040514962.db2.gz QSNKNPFHHZETHG-TZMCWYRMSA-N 1 0 317.389 4.185 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000066236798 1040737525 /nfs/dbraw/zinc/73/75/25/1040737525.db2.gz NUZNKHZJEWDLRR-KRWDZBQOSA-N 1 0 302.349 4.221 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000414062315 1040804615 /nfs/dbraw/zinc/80/46/15/1040804615.db2.gz CMSPEZUZIGWWQJ-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000580737256 1040827458 /nfs/dbraw/zinc/82/74/58/1040827458.db2.gz OQPITDYSHOWCBV-TZMCWYRMSA-N 1 0 316.323 4.053 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000580955021 1040838143 /nfs/dbraw/zinc/83/81/43/1040838143.db2.gz KJFWPDCYQVEDFF-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C2CCC(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000414177986 1040962945 /nfs/dbraw/zinc/96/29/45/1040962945.db2.gz JOHZBTLQLUVYEM-HIFPTAJRSA-N 1 0 312.360 4.378 20 5 DIBDRO CC[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414252799 1041053623 /nfs/dbraw/zinc/05/36/23/1041053623.db2.gz IYXSSSHHIBQTQC-RYUDHWBXSA-N 1 0 318.339 4.094 20 5 DIBDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000276258208 1041102479 /nfs/dbraw/zinc/10/24/79/1041102479.db2.gz APMMNRQIAQVVOE-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000414334544 1041138050 /nfs/dbraw/zinc/13/80/50/1041138050.db2.gz ISIGIVSBVJJBFV-OWCLPIDISA-N 1 0 300.358 4.175 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120134749 1041185037 /nfs/dbraw/zinc/18/50/37/1041185037.db2.gz SMRPODBWIXJTOC-GOSISDBHSA-N 1 0 314.385 4.234 20 5 DIBDRO C[N@H+](CCC1CC1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809966267 1041280081 /nfs/dbraw/zinc/28/00/81/1041280081.db2.gz ZPKXFDJYZWMGNL-UHFFFAOYSA-N 1 0 303.189 4.134 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000122293314 1041387669 /nfs/dbraw/zinc/38/76/69/1041387669.db2.gz ISLGBNIXDUKGCZ-KRWDZBQOSA-N 1 0 314.360 4.210 20 5 DIBDRO COCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000122375775 1041427263 /nfs/dbraw/zinc/42/72/63/1041427263.db2.gz QCZYLDGZEJFKMF-HNNXBMFYSA-N 1 0 320.433 4.151 20 5 DIBDRO CCS[C@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000480970188 1041514007 /nfs/dbraw/zinc/51/40/07/1041514007.db2.gz XSPVYWXKFPEDLH-HNNXBMFYSA-N 1 0 308.447 4.011 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000481041337 1041518877 /nfs/dbraw/zinc/51/88/77/1041518877.db2.gz PLULKOFKWGWSRZ-GXTWGEPZSA-N 1 0 316.376 4.324 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000811495413 1041524235 /nfs/dbraw/zinc/52/42/35/1041524235.db2.gz DDNCDVFOXCTMJT-GFCCVEGCSA-N 1 0 315.200 4.324 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000811495414 1041524591 /nfs/dbraw/zinc/52/45/91/1041524591.db2.gz DDNCDVFOXCTMJT-LBPRGKRZSA-N 1 0 315.200 4.324 20 5 DIBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000481086851 1041526582 /nfs/dbraw/zinc/52/65/82/1041526582.db2.gz CWLFOZCTYVZWHX-WCQYABFASA-N 1 0 317.389 4.040 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1F ZINC000814642622 1041847278 /nfs/dbraw/zinc/84/72/78/1041847278.db2.gz JRMQIEVYAVOZPU-INIZCTEOSA-N 1 0 314.360 4.114 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000181768808 1041931526 /nfs/dbraw/zinc/93/15/26/1041931526.db2.gz DLEBVCAAGBAATK-INIZCTEOSA-N 1 0 302.349 4.365 20 5 DIBDRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555727 1041962921 /nfs/dbraw/zinc/96/29/21/1041962921.db2.gz GUHYFHPUDGEJCX-MGPLVRAMSA-N 1 0 317.414 4.040 20 5 DIBDRO CC(C)CC1(C)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001170834718 1042070213 /nfs/dbraw/zinc/07/02/13/1042070213.db2.gz HBCBZXDDKKYSGC-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000067011190 1042141190 /nfs/dbraw/zinc/14/11/90/1042141190.db2.gz YOWHVEAEPICLMT-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000314642509 1042164014 /nfs/dbraw/zinc/16/40/14/1042164014.db2.gz CEABAVAMWNTASR-SJCJKPOMSA-N 1 0 314.410 4.234 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000105461600 1042174697 /nfs/dbraw/zinc/17/46/97/1042174697.db2.gz RNBAGHNGWDBYEA-ZDUSSCGKSA-N 1 0 314.385 4.275 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000105461602 1042174727 /nfs/dbraw/zinc/17/47/27/1042174727.db2.gz RNBAGHNGWDBYEA-CYBMUJFWSA-N 1 0 314.385 4.275 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000391094407 1042181732 /nfs/dbraw/zinc/18/17/32/1042181732.db2.gz QXHIPEBBRIQWBX-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000569258321 1042219376 /nfs/dbraw/zinc/21/93/76/1042219376.db2.gz BWGXAXJPGGONNM-IIDMSEBBSA-N 1 0 308.381 4.118 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000279069917 1042268140 /nfs/dbraw/zinc/26/81/40/1042268140.db2.gz LOZFMDKFMLEVTC-YVEFUNNKSA-N 1 0 311.385 4.063 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000279154315 1042277650 /nfs/dbraw/zinc/27/76/50/1042277650.db2.gz SZOBHRMEFMXCJM-PXAZEXFGSA-N 1 0 311.385 4.063 20 5 DIBDRO CC[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000822822322 1042301983 /nfs/dbraw/zinc/30/19/83/1042301983.db2.gz KABOWLPWBJMGEI-DGCLKSJQSA-N 1 0 317.216 4.219 20 5 DIBDRO CC[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000822822323 1042302113 /nfs/dbraw/zinc/30/21/13/1042302113.db2.gz KABOWLPWBJMGEI-WCQYABFASA-N 1 0 317.216 4.219 20 5 DIBDRO CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236864007 1042346423 /nfs/dbraw/zinc/34/64/23/1042346423.db2.gz WIASKHDROSHYNW-UHFFFAOYSA-N 1 0 304.321 4.026 20 5 DIBDRO Cc1ccc([C@@H](C)[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000453356660 1042449196 /nfs/dbraw/zinc/44/91/96/1042449196.db2.gz LAONBXDDAGEKMZ-RHSMWYFYSA-N 1 0 320.458 4.183 20 5 DIBDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000421843769 1042659798 /nfs/dbraw/zinc/65/97/98/1042659798.db2.gz NKHBUXLQINLUQY-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000513856853 1042759636 /nfs/dbraw/zinc/75/96/36/1042759636.db2.gz CJPYAEYWOWQWNQ-SJKOYZFVSA-N 1 0 314.360 4.380 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cs1 ZINC000515509315 1042823897 /nfs/dbraw/zinc/82/38/97/1042823897.db2.gz WBPRIDBWDQAOCA-HNNXBMFYSA-N 1 0 320.389 4.003 20 5 DIBDRO CC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000517534545 1042884718 /nfs/dbraw/zinc/88/47/18/1042884718.db2.gz OLWWRLIZDCBCKV-UHFFFAOYSA-N 1 0 304.415 4.459 20 5 DIBDRO CC(C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000517876452 1042901221 /nfs/dbraw/zinc/90/12/21/1042901221.db2.gz SCZBARCOHAOBPZ-UHFFFAOYSA-N 1 0 306.406 4.002 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266487782 1042971397 /nfs/dbraw/zinc/97/13/97/1042971397.db2.gz RSMLMNBYPKEJMC-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000441436750 1043098819 /nfs/dbraw/zinc/09/88/19/1043098819.db2.gz HTLBUSCIQAJVGR-RHSMWYFYSA-N 1 0 318.417 4.147 20 5 DIBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000176812666 1043100535 /nfs/dbraw/zinc/10/05/35/1043100535.db2.gz QGTZWZVEKCWVRU-KSSFIOAISA-N 1 0 313.401 4.080 20 5 DIBDRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000186763729 1043233563 /nfs/dbraw/zinc/23/35/63/1043233563.db2.gz HWFMZZDKQZMMEW-MFKMUULPSA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000186764438 1043233682 /nfs/dbraw/zinc/23/36/82/1043233682.db2.gz CVMYGWTZZQNUPG-YPMHNXCESA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc2cnccc2o1 ZINC000866622432 1043240382 /nfs/dbraw/zinc/24/03/82/1043240382.db2.gz MLBVFBZGMBXDDL-ABAIWWIYSA-N 1 0 323.352 4.074 20 5 DIBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000520957498 1043346889 /nfs/dbraw/zinc/34/68/89/1043346889.db2.gz DBCJEQPFCSHXKA-WBMJQRKESA-N 1 0 300.358 4.133 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000269024776 1043353077 /nfs/dbraw/zinc/35/30/77/1043353077.db2.gz QHALGRYLHUEWTN-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2sccc2C)cc1[N+](=O)[O-] ZINC000271065347 1043402198 /nfs/dbraw/zinc/40/21/98/1043402198.db2.gz CZKZTUMMMFXCMJ-LBPRGKRZSA-N 1 0 320.414 4.214 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000872051591 1043435494 /nfs/dbraw/zinc/43/54/94/1043435494.db2.gz LPYIDZLVRGFUIK-GHMZBOCLSA-N 1 0 305.403 4.057 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000872064266 1043446056 /nfs/dbraw/zinc/44/60/56/1043446056.db2.gz XPQDEHFBHWGLNR-BDAKNGLRSA-N 1 0 322.352 4.308 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000872073720 1043449389 /nfs/dbraw/zinc/44/93/89/1043449389.db2.gz QXQZDWUJIVAADB-SECBINFHSA-N 1 0 316.373 4.013 20 5 DIBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000521827476 1043480413 /nfs/dbraw/zinc/48/04/13/1043480413.db2.gz LHOSIELMHMWLHO-MLGOLLRUSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278762 1043490896 /nfs/dbraw/zinc/49/08/96/1043490896.db2.gz ZXVMWMRDZVAPBG-HOCLYGCPSA-N 1 0 318.417 4.079 20 5 DIBDRO C[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000558413076 1043503530 /nfs/dbraw/zinc/50/35/30/1043503530.db2.gz AFQNHPBWNTYNFN-CQSZACIVSA-N 1 0 316.376 4.012 20 5 DIBDRO C[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000558413075 1043503920 /nfs/dbraw/zinc/50/39/20/1043503920.db2.gz AFQNHPBWNTYNFN-AWEZNQCLSA-N 1 0 316.376 4.012 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873184309 1043524135 /nfs/dbraw/zinc/52/41/35/1043524135.db2.gz LFUXWQPGLFWYMD-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000522163394 1043554422 /nfs/dbraw/zinc/55/44/22/1043554422.db2.gz BATZDWZETCEXLE-INIZCTEOSA-N 1 0 304.415 4.485 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267470469 1043578782 /nfs/dbraw/zinc/57/87/82/1043578782.db2.gz XQDJCTVAWKVYED-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740838 1043586430 /nfs/dbraw/zinc/58/64/30/1043586430.db2.gz DVDVFZMAICKDAK-LBPRGKRZSA-N 1 0 320.339 4.109 20 5 DIBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000522269027 1043595301 /nfs/dbraw/zinc/59/53/01/1043595301.db2.gz SNIMJAOLWLMLRY-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO O=[N+]([O-])c1ccc([O-])cc1CN1CCCCC[C@H]1c1ccco1 ZINC000353917181 1043657169 /nfs/dbraw/zinc/65/71/69/1043657169.db2.gz SSOWJUHAACBYGF-INIZCTEOSA-N 1 0 316.357 4.011 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000927060815 1043675327 /nfs/dbraw/zinc/67/53/27/1043675327.db2.gz BWWDIHFGWXGKFT-DYVFJYSZSA-N 1 0 311.385 4.026 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)c(F)c1 ZINC000355479368 1043770473 /nfs/dbraw/zinc/77/04/73/1043770473.db2.gz AFQPRZPOKMZIMS-KRWDZBQOSA-N 1 0 318.323 4.040 20 5 DIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC(F)F ZINC000883252077 1043813948 /nfs/dbraw/zinc/81/39/48/1043813948.db2.gz QFFNHSMLQSJIHZ-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000561810538 1044007880 /nfs/dbraw/zinc/00/78/80/1044007880.db2.gz KISHGDKJEAJYGL-IBGZPJMESA-N 1 0 310.397 4.494 20 5 DIBDRO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178345 1044107652 /nfs/dbraw/zinc/10/76/52/1044107652.db2.gz MQDAHSORZAFMHF-CYBMUJFWSA-N 1 0 313.401 4.272 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)CC(F)(F)C1 ZINC000883250145 1044243979 /nfs/dbraw/zinc/24/39/79/1044243979.db2.gz DCKDWHWGICDBIF-SDQBBNPISA-N 1 0 310.344 4.023 20 5 DIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000523007808 1044297026 /nfs/dbraw/zinc/29/70/26/1044297026.db2.gz XUFWUFUVIVZWIJ-FZMZJTMJSA-N 1 0 320.389 4.173 20 5 DIBDRO Cc1ccccc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564124040 1044344260 /nfs/dbraw/zinc/34/42/60/1044344260.db2.gz MWNGOMPGNCFLIP-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1cc(Cl)nc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000282844802 1044347915 /nfs/dbraw/zinc/34/79/15/1044347915.db2.gz TTXVHLYGAUJDPF-GFCCVEGCSA-N 1 0 319.792 4.111 20 5 DIBDRO CC/C=C\C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001202560505 1044350324 /nfs/dbraw/zinc/35/03/24/1044350324.db2.gz JATBFIDPFPBUSS-ARJAWSKDSA-N 1 0 302.399 4.379 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1(c2ccccc2)CCC1 ZINC000566019761 1044468849 /nfs/dbraw/zinc/46/88/49/1044468849.db2.gz RMJAXALALZYKDB-QGZVFWFLSA-N 1 0 308.381 4.251 20 5 DIBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000566646235 1044505473 /nfs/dbraw/zinc/50/54/73/1044505473.db2.gz FFZCKOVFEWWKNO-XQRVVYSFSA-N 1 0 310.344 4.118 20 5 DIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000519907436 1044529161 /nfs/dbraw/zinc/52/91/61/1044529161.db2.gz YMJHOTWIDXYTMV-IBGZPJMESA-N 1 0 310.397 4.494 20 5 DIBDRO CCCCC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886109025 1044616180 /nfs/dbraw/zinc/61/61/80/1044616180.db2.gz AJTHOLQNDUPWOP-KRWDZBQOSA-N 1 0 313.401 4.401 20 5 DIBDRO CCCCC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886109026 1044616346 /nfs/dbraw/zinc/61/63/46/1044616346.db2.gz AJTHOLQNDUPWOP-QGZVFWFLSA-N 1 0 313.401 4.401 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523790730 1044684551 /nfs/dbraw/zinc/68/45/51/1044684551.db2.gz XGLDCEMPHYDTOB-CRAIPNDOSA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523790731 1044684763 /nfs/dbraw/zinc/68/47/63/1044684763.db2.gz XGLDCEMPHYDTOB-MAUKXSAKSA-N 1 0 310.397 4.015 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000569258322 1044687493 /nfs/dbraw/zinc/68/74/93/1044687493.db2.gz BWGXAXJPGGONNM-MPGHIAIKSA-N 1 0 308.381 4.118 20 5 DIBDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512237 1044739711 /nfs/dbraw/zinc/73/97/11/1044739711.db2.gz CKFWTZJTHBXUGB-LLVKDONJSA-N 1 0 319.430 4.334 20 5 DIBDRO CCc1ccc([C@H]([NH2+][C@H]2CC[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000570418999 1044756057 /nfs/dbraw/zinc/75/60/57/1044756057.db2.gz AGFFFJQUNFOQPT-ULFGMLNVSA-N 1 0 314.385 4.228 20 5 DIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC000524426783 1044838014 /nfs/dbraw/zinc/83/80/14/1044838014.db2.gz DSIALUSOVYBRTD-CQSZACIVSA-N 1 0 316.376 4.360 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524592151 1044880465 /nfs/dbraw/zinc/88/04/65/1044880465.db2.gz BKRFAQCPMBIXJS-WBVHZDCISA-N 1 0 310.397 4.281 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000524592384 1044880502 /nfs/dbraw/zinc/88/05/02/1044880502.db2.gz JLNKFJDODVCUBF-DOTOQJQBSA-N 1 0 310.397 4.281 20 5 DIBDRO Cc1c([C@H](C)NCc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000133039336 1044924448 /nfs/dbraw/zinc/92/44/48/1044924448.db2.gz BDAUGJJXONTKNU-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000525122111 1044990296 /nfs/dbraw/zinc/99/02/96/1044990296.db2.gz UEXNWLFDFYIHBA-DNVCBOLYSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000525121993 1044990492 /nfs/dbraw/zinc/99/04/92/1044990492.db2.gz OIANVQYUSADNFF-YJBOKZPZSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000525125517 1044991980 /nfs/dbraw/zinc/99/19/80/1044991980.db2.gz USBCECBEUACLBY-WBVHZDCISA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000446825600 1045046014 /nfs/dbraw/zinc/04/60/14/1045046014.db2.gz KAFBXKUVVQLVBF-ZDUSSCGKSA-N 1 0 318.804 4.184 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3cccc(F)c3)CC2)ccc1Cl ZINC000152859787 1045048643 /nfs/dbraw/zinc/04/86/43/1045048643.db2.gz ARSQGMUZPXAMSC-UHFFFAOYSA-N 1 0 320.751 4.166 20 5 DIBDRO CC(C)([NH2+]Cc1coc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000121682448 1045050246 /nfs/dbraw/zinc/05/02/46/1045050246.db2.gz NWHJXAHFRIYWGI-UHFFFAOYSA-N 1 0 310.353 4.366 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCC34CCC4)o2)c1 ZINC000446838023 1045052993 /nfs/dbraw/zinc/05/29/93/1045052993.db2.gz DBXCEDBFQIQOSM-UHFFFAOYSA-N 1 0 312.369 4.373 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3occc32)cccc1[N+](=O)[O-] ZINC000152255552 1045077167 /nfs/dbraw/zinc/07/71/67/1045077167.db2.gz GDDWHSUJSQPCSX-IUODEOHRSA-N 1 0 300.358 4.224 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CC2)CC1 ZINC000446974920 1045077369 /nfs/dbraw/zinc/07/73/69/1045077369.db2.gz MXEISMARUVRFHR-AWEZNQCLSA-N 1 0 302.418 4.228 20 5 DIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000525640581 1045104529 /nfs/dbraw/zinc/10/45/29/1045104529.db2.gz PNMDXECDSREBSF-GOSISDBHSA-N 1 0 312.413 4.090 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCc2occc21 ZINC000577457165 1045124821 /nfs/dbraw/zinc/12/48/21/1045124821.db2.gz DUFWIINYRYTNHA-CQSZACIVSA-N 1 0 320.776 4.051 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1(c3ccccc3)CC1)CCC2 ZINC000447589504 1045155098 /nfs/dbraw/zinc/15/50/98/1045155098.db2.gz XYQZLBCVDICPEH-SFHVURJKSA-N 1 0 308.381 4.251 20 5 DIBDRO CCC(CC)[N@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000557505181 1045190998 /nfs/dbraw/zinc/19/09/98/1045190998.db2.gz FPSKLBFQMQOMKX-UHFFFAOYSA-N 1 0 317.389 4.260 20 5 DIBDRO CC[C@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000557696748 1045218713 /nfs/dbraw/zinc/21/87/13/1045218713.db2.gz WCKXEDUSKXHZCI-ZFWWWQNUSA-N 1 0 317.389 4.038 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000579270050 1045303055 /nfs/dbraw/zinc/30/30/55/1045303055.db2.gz MNHQMGFDULUJIG-UONOGXRCSA-N 1 0 313.401 4.272 20 5 DIBDRO O[C@@H]1CC[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000188852438 1045340924 /nfs/dbraw/zinc/34/09/24/1045340924.db2.gz SGAPPPMVGBLBCL-CRAIPNDOSA-N 1 0 305.421 4.244 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)c1cccs1 ZINC000449150432 1045351931 /nfs/dbraw/zinc/35/19/31/1045351931.db2.gz RCEYSXNKYIKUCW-ZDUSSCGKSA-N 1 0 318.442 4.155 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)c1cccs1 ZINC000449150431 1045352633 /nfs/dbraw/zinc/35/26/33/1045352633.db2.gz RCEYSXNKYIKUCW-CYBMUJFWSA-N 1 0 318.442 4.155 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000449251601 1045366687 /nfs/dbraw/zinc/36/66/87/1045366687.db2.gz QLOHNPSNXVXPHM-LBPRGKRZSA-N 1 0 320.339 4.253 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000779198448 1045369266 /nfs/dbraw/zinc/36/92/66/1045369266.db2.gz YEUZRRRXCWSORX-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000076902087 1045376964 /nfs/dbraw/zinc/37/69/64/1045376964.db2.gz TZIDMKIXZFBAQB-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO C[C@H]([NH2+]CCCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000449346925 1045379103 /nfs/dbraw/zinc/37/91/03/1045379103.db2.gz FFIMEBDSYJXNMN-HNNXBMFYSA-N 1 0 314.385 4.105 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000449354770 1045384616 /nfs/dbraw/zinc/38/46/16/1045384616.db2.gz RFXJIOWWWYZBSV-UHFFFAOYSA-N 1 0 320.433 4.015 20 5 DIBDRO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449460169 1045396142 /nfs/dbraw/zinc/39/61/42/1045396142.db2.gz MRANBMNFDAVJGV-AAEUAGOBSA-N 1 0 316.323 4.066 20 5 DIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000751500027 1045607197 /nfs/dbraw/zinc/60/71/97/1045607197.db2.gz NGZZCUHUSWXKAX-SUMWQHHRSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000451134265 1045631350 /nfs/dbraw/zinc/63/13/50/1045631350.db2.gz HCQZUMSVYWBUCW-LOWVWBTDSA-N 1 0 316.323 4.146 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000451422750 1045682215 /nfs/dbraw/zinc/68/22/15/1045682215.db2.gz UNCMOQYJWYNRJM-ZWNOBZJWSA-N 1 0 316.323 4.066 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCc2ccccc21 ZINC000801508982 1045725028 /nfs/dbraw/zinc/72/50/28/1045725028.db2.gz KLTCNBCHKXLILS-KRWDZBQOSA-N 1 0 314.360 4.243 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517291 1045729295 /nfs/dbraw/zinc/72/92/95/1045729295.db2.gz LZBNLSIIUCXQDH-CJNGLKHVSA-N 1 0 314.360 4.112 20 5 DIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000801530771 1045733762 /nfs/dbraw/zinc/73/37/62/1045733762.db2.gz GKORIQHWQILYSE-UHFFFAOYSA-N 1 0 316.376 4.321 20 5 DIBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000191660009 1045746369 /nfs/dbraw/zinc/74/63/69/1045746369.db2.gz OOHBJZRFLFXVMR-CYBMUJFWSA-N 1 0 316.323 4.005 20 5 DIBDRO CSCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753967696 1045826059 /nfs/dbraw/zinc/82/60/59/1045826059.db2.gz GMWQAKKQDZNEJS-OFQRWUPVSA-N 1 0 322.474 4.037 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000531704354 1045901185 /nfs/dbraw/zinc/90/11/85/1045901185.db2.gz FRLDRBGVROUVOB-HNNXBMFYSA-N 1 0 312.413 4.093 20 5 DIBDRO CC[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000828703914 1045927244 /nfs/dbraw/zinc/92/72/44/1045927244.db2.gz MQYXCFSCZHDGAE-OLZOCXBDSA-N 1 0 317.216 4.219 20 5 DIBDRO CNc1ccc(C)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000902300500 1045969439 /nfs/dbraw/zinc/96/94/39/1045969439.db2.gz CFPXCJDVMJKDST-CQSZACIVSA-N 1 0 313.401 4.104 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCCC2(F)F)cccc1[N+](=O)[O-] ZINC000453250843 1046003301 /nfs/dbraw/zinc/00/33/01/1046003301.db2.gz MUCSMVKXKGDWEQ-OLZOCXBDSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCCC2(F)F)cccc1[N+](=O)[O-] ZINC000453250842 1046003721 /nfs/dbraw/zinc/00/37/21/1046003721.db2.gz MUCSMVKXKGDWEQ-CHWSQXEVSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000453315585 1046033543 /nfs/dbraw/zinc/03/35/43/1046033543.db2.gz GQXWGSQISMSKNJ-DAYGRLMNSA-N 1 0 320.433 4.005 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000237606758 1046105274 /nfs/dbraw/zinc/10/52/74/1046105274.db2.gz JIMCHJAVINDYTA-QWHCGFSZSA-N 1 0 316.323 4.114 20 5 DIBDRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1c(F)cccc1[N+](=O)[O-] ZINC000903157150 1046178685 /nfs/dbraw/zinc/17/86/85/1046178685.db2.gz ZBBBOSRZBQHCEP-WODVXLOZSA-N 1 0 324.421 4.059 20 5 DIBDRO CC(C)[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000903246384 1046208069 /nfs/dbraw/zinc/20/80/69/1046208069.db2.gz UJOMTRUOJHTABZ-KBXCAEBGSA-N 1 0 313.401 4.080 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC000903246214 1046208207 /nfs/dbraw/zinc/20/82/07/1046208207.db2.gz SGNHPNMZQSJWAL-VXGBXAGGSA-N 1 0 319.792 4.098 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903280028 1046220218 /nfs/dbraw/zinc/22/02/18/1046220218.db2.gz AHCHTQHKMIYKBZ-GHMZBOCLSA-N 1 0 312.410 4.059 20 5 DIBDRO Cc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000758014704 1046239101 /nfs/dbraw/zinc/23/91/01/1046239101.db2.gz BYRGTIHOAAQGFB-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903338767 1046250789 /nfs/dbraw/zinc/25/07/89/1046250789.db2.gz JDIHARPYOGNLTI-SJLPKXTDSA-N 1 0 311.385 4.182 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903340058 1046251535 /nfs/dbraw/zinc/25/15/35/1046251535.db2.gz PBOBMVBLKAYUIL-ACJLOTCBSA-N 1 0 311.385 4.100 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](c1ccncc1)C1CC1)CCC2 ZINC000903427807 1046277689 /nfs/dbraw/zinc/27/76/89/1046277689.db2.gz KFHHBCASQSMKEM-MOPGFXCFSA-N 1 0 323.396 4.108 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](c2ccncc2)C2CC2)cccc1[N+](=O)[O-] ZINC000903430061 1046279989 /nfs/dbraw/zinc/27/99/89/1046279989.db2.gz XJMDVIDSIWQTRZ-FZKQIMNGSA-N 1 0 311.385 4.100 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCSc2ccccc2)c1 ZINC000037904156 1046370385 /nfs/dbraw/zinc/37/03/85/1046370385.db2.gz SQBJBASQJKTMER-UHFFFAOYSA-N 1 0 322.817 4.130 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccn1 ZINC000610810451 1046373342 /nfs/dbraw/zinc/37/33/42/1046373342.db2.gz LJBTYUPVSOROCS-PBHICJAKSA-N 1 0 313.401 4.490 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000748820107 1046406830 /nfs/dbraw/zinc/40/68/30/1046406830.db2.gz CLOOZZLNKXKHQK-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](COCC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000389756984 1046439684 /nfs/dbraw/zinc/43/96/84/1046439684.db2.gz RPVGXPVXXKZOPI-IAGOWNOFSA-N 1 0 308.422 4.087 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000729681577 1046576067 /nfs/dbraw/zinc/57/60/67/1046576067.db2.gz GEOJXOCFBVFNGH-SFHVURJKSA-N 1 0 316.448 4.319 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccs1 ZINC000783625339 1046615218 /nfs/dbraw/zinc/61/52/18/1046615218.db2.gz PKGDDZROVIYJKK-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000783636057 1046616899 /nfs/dbraw/zinc/61/68/99/1046616899.db2.gz LADIURUQFZDKRB-SNVBAGLBSA-N 1 0 324.833 4.339 20 5 DIBDRO CS[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C ZINC000783667030 1046619435 /nfs/dbraw/zinc/61/94/35/1046619435.db2.gz KAHRJPKBRGTWTH-CYBMUJFWSA-N 1 0 316.854 4.116 20 5 DIBDRO Cc1cc(C)cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000827093815 1046622963 /nfs/dbraw/zinc/62/29/63/1046622963.db2.gz JBNQBAWUWHWGIV-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO CS[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000784626439 1046703277 /nfs/dbraw/zinc/70/32/77/1046703277.db2.gz UMWUYLBLLJQPKI-CYBMUJFWSA-N 1 0 316.854 4.116 20 5 DIBDRO C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1O ZINC000250051342 1046714898 /nfs/dbraw/zinc/71/48/98/1046714898.db2.gz LXWTYGKISRUVFG-YCRPNKLZSA-N 1 0 305.421 4.196 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000303124112 1046879138 /nfs/dbraw/zinc/87/91/38/1046879138.db2.gz AOMQABZYFJPONC-GOSISDBHSA-N 1 0 310.397 4.365 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000798503361 1046958920 /nfs/dbraw/zinc/95/89/20/1046958920.db2.gz IRVXEKBOQDJJDC-UHFFFAOYSA-N 1 0 316.788 4.284 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000536873074 1047116377 /nfs/dbraw/zinc/11/63/77/1047116377.db2.gz WBEYGLCQINPVJG-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(C)o1 ZINC001116474639 1047146432 /nfs/dbraw/zinc/14/64/32/1047146432.db2.gz HCNVNUMLUGMAEL-FWPCIQOSSA-N 1 0 300.358 4.169 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000537291799 1047159036 /nfs/dbraw/zinc/15/90/36/1047159036.db2.gz XVGKYUUETPHLQZ-LJQANCHMSA-N 1 0 310.397 4.453 20 5 DIBDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141723505 1047277466 /nfs/dbraw/zinc/27/74/66/1047277466.db2.gz ZQVJKUUWMDRYNH-YJBOKZPZSA-N 1 0 305.421 4.338 20 5 DIBDRO CN1CC2(C1)CC[N@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001141728321 1047281473 /nfs/dbraw/zinc/28/14/73/1047281473.db2.gz QGLBAQXHAJSSPN-UHFFFAOYSA-N 1 0 316.448 4.131 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(C)CC1 ZINC000726605747 1047369690 /nfs/dbraw/zinc/36/96/90/1047369690.db2.gz IHJGARDJKNGGNF-LBPRGKRZSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(C)CC1 ZINC000726605233 1047369884 /nfs/dbraw/zinc/36/98/84/1047369884.db2.gz AJYBISTXPLSULU-LBPRGKRZSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000841062868 1047377670 /nfs/dbraw/zinc/37/76/70/1047377670.db2.gz CZBBNIPFKAAUCK-VFNWGFHPSA-N 1 0 304.437 4.081 20 5 DIBDRO C[N@H+](Cc1c2ccccc2cc2ccccc21)C1CC[NH2+]CC1 ZINC000843044678 1047524253 /nfs/dbraw/zinc/52/42/53/1047524253.db2.gz FIVHJACYZUQROL-UHFFFAOYSA-N 1 0 304.437 4.177 20 5 DIBDRO CC[NH+](CC)CCNC(=O)c1c2ccccc2cc2ccccc21 ZINC001153489614 1047626243 /nfs/dbraw/zinc/62/62/43/1047626243.db2.gz RGRAVTWMYCMVSD-UHFFFAOYSA-N 1 0 320.436 4.065 20 5 DIBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537853146 1047642176 /nfs/dbraw/zinc/64/21/76/1047642176.db2.gz WFYGAMCVUOUOOJ-WFASDCNBSA-N 1 0 315.373 4.013 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000537966287 1047650809 /nfs/dbraw/zinc/65/08/09/1047650809.db2.gz DDRSFPVNWUJQPD-OLZOCXBDSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000537966288 1047650906 /nfs/dbraw/zinc/65/09/06/1047650906.db2.gz DDRSFPVNWUJQPD-QWHCGFSZSA-N 1 0 304.415 4.247 20 5 DIBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000537986951 1047651007 /nfs/dbraw/zinc/65/10/07/1047651007.db2.gz LMGQVEMWJCFMIJ-KUHUBIRLSA-N 1 0 310.397 4.267 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538113253 1047658475 /nfs/dbraw/zinc/65/84/75/1047658475.db2.gz BRYGBKFWLFEDOQ-KBPBESRZSA-N 1 0 313.401 4.272 20 5 DIBDRO Cc1ccsc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000538114485 1047659625 /nfs/dbraw/zinc/65/96/25/1047659625.db2.gz MBDDTPDSMKYYGQ-ZDUSSCGKSA-N 1 0 304.415 4.166 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](c1cccs1)C1CC1 ZINC000538313178 1047668312 /nfs/dbraw/zinc/66/83/12/1047668312.db2.gz MMFDECXKVSYUBH-ZVVFDCPKSA-N 1 0 314.410 4.410 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000538313174 1047668780 /nfs/dbraw/zinc/66/87/80/1047668780.db2.gz MMFDECXKVSYUBH-ZNNBYXKUSA-N 1 0 314.410 4.410 20 5 DIBDRO C[C@@H]1CC(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)C1 ZINC001182816414 1047847909 /nfs/dbraw/zinc/84/79/09/1047847909.db2.gz KTWRVFSULHTTJC-RYUDHWBXSA-N 1 0 310.825 4.410 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479607144 1047939760 /nfs/dbraw/zinc/93/97/60/1047939760.db2.gz SIGFEIDAZRNPPF-SNVBAGLBSA-N 1 0 304.312 4.006 20 5 DIBDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001198300473 1047942975 /nfs/dbraw/zinc/94/29/75/1047942975.db2.gz NQDUKFSGJXRXNZ-KRWDZBQOSA-N 1 0 316.426 4.254 20 5 DIBDRO C[C@@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC001184045400 1047994771 /nfs/dbraw/zinc/99/47/71/1047994771.db2.gz MDKOVBITASKKRH-JKSUJKDBSA-N 1 0 324.424 4.093 20 5 DIBDRO CCCCCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001198935389 1048017927 /nfs/dbraw/zinc/01/79/27/1048017927.db2.gz RIDYDMCMHYBLNR-UHFFFAOYSA-N 1 0 315.211 4.027 20 5 DIBDRO Cc1ccccc1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001198989880 1048025635 /nfs/dbraw/zinc/02/56/35/1048025635.db2.gz DSCLVWOGOAEEDU-UHFFFAOYSA-N 1 0 322.364 4.453 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000773427415 1048034734 /nfs/dbraw/zinc/03/47/34/1048034734.db2.gz LJJJSMGFSYASFH-NSHDSACASA-N 1 0 319.792 4.056 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)c(Cl)c1 ZINC001184386954 1048035544 /nfs/dbraw/zinc/03/55/44/1048035544.db2.gz FHAVJMWEWDYMFU-ZFWWWQNUSA-N 1 0 308.809 4.164 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000480159604 1048072927 /nfs/dbraw/zinc/07/29/27/1048072927.db2.gz MIMNJDQEENLTDD-QWRGUYRKSA-N 1 0 304.312 4.367 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000554365574 1048079353 /nfs/dbraw/zinc/07/93/53/1048079353.db2.gz OEABSOAIABHLDD-BLLLJJGKSA-N 1 0 320.458 4.050 20 5 DIBDRO Cc1ccc(C[NH+]2CCC3(CCSCC3)CC2)cc1[N+](=O)[O-] ZINC001175119597 1048150363 /nfs/dbraw/zinc/15/03/63/1048150363.db2.gz HSZXDWDVAYTMMQ-UHFFFAOYSA-N 1 0 320.458 4.012 20 5 DIBDRO CCS[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001200924019 1048157850 /nfs/dbraw/zinc/15/78/50/1048157850.db2.gz YHBYYSKKXGMKLX-CABCVRRESA-N 1 0 308.447 4.057 20 5 DIBDRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001200924022 1048158511 /nfs/dbraw/zinc/15/85/11/1048158511.db2.gz YHBYYSKKXGMKLX-LSDHHAIUSA-N 1 0 308.447 4.057 20 5 DIBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000554850032 1048206298 /nfs/dbraw/zinc/20/62/98/1048206298.db2.gz HAOKFZNMGRHYDU-NUEKZKHPSA-N 1 0 318.417 4.004 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000480673071 1048211951 /nfs/dbraw/zinc/21/19/51/1048211951.db2.gz QITAEXUWZQUQCH-MFKMUULPSA-N 1 0 304.312 4.224 20 5 DIBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(N3CCCCC3)cc2)c1 ZINC001201221982 1048223653 /nfs/dbraw/zinc/22/36/53/1048223653.db2.gz HJCYSUPYZWXRPZ-UHFFFAOYSA-N 1 0 313.357 4.034 20 5 DIBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001162141395 1048230824 /nfs/dbraw/zinc/23/08/24/1048230824.db2.gz VQZCMBWCNNJXMQ-GOSISDBHSA-N 1 0 319.449 4.072 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000555420643 1048343941 /nfs/dbraw/zinc/34/39/41/1048343941.db2.gz NSJWNJNHINNQBN-CYBMUJFWSA-N 1 0 322.364 4.304 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000192844889 1048345720 /nfs/dbraw/zinc/34/57/20/1048345720.db2.gz OSPSGORPNGNPKG-QWHCGFSZSA-N 1 0 300.358 4.021 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(C)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC001201769520 1048370748 /nfs/dbraw/zinc/37/07/48/1048370748.db2.gz IKMHEEVHQJRAIW-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4ccc(CO)cc4)cc3[nH+]c2c1 ZINC001175567757 1048373127 /nfs/dbraw/zinc/37/31/27/1048373127.db2.gz QKVNGOBOOKXQLG-UHFFFAOYSA-N 1 0 315.376 4.206 20 5 DIBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001162909271 1048386210 /nfs/dbraw/zinc/38/62/10/1048386210.db2.gz LFAJGQZPBHRXKL-SNVBAGLBSA-N 1 0 315.760 4.212 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCCc2sccc21 ZINC001201880481 1048394542 /nfs/dbraw/zinc/39/45/42/1048394542.db2.gz CYUVLDQNRPQRBG-HNNXBMFYSA-N 1 0 316.426 4.440 20 5 DIBDRO CCC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001202001405 1048428012 /nfs/dbraw/zinc/42/80/12/1048428012.db2.gz ZDWWRSLAISTQTG-UHFFFAOYSA-N 1 0 302.374 4.381 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000555948578 1048486435 /nfs/dbraw/zinc/48/64/35/1048486435.db2.gz JZQDEVZDQCGCAH-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCc1cc2ccccc2n1C ZINC001163947401 1048555067 /nfs/dbraw/zinc/55/50/67/1048555067.db2.gz YNQNXRFHPYBRKP-UHFFFAOYSA-N 1 0 322.476 4.387 20 5 DIBDRO Cc1ccccc1OCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000482559542 1048633830 /nfs/dbraw/zinc/63/38/30/1048633830.db2.gz XZDSNOXNURDMBN-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC000850445319 1048658023 /nfs/dbraw/zinc/65/80/23/1048658023.db2.gz BKFJXZZIHNGYQA-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4csc(CO)c4)cc3[nH+]c2c1 ZINC001176369708 1048663838 /nfs/dbraw/zinc/66/38/38/1048663838.db2.gz RIDCFNDWFMXCSU-UHFFFAOYSA-N 1 0 321.405 4.268 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(Cc3ccccc3)CC2)c1 ZINC000775324069 1048671808 /nfs/dbraw/zinc/67/18/08/1048671808.db2.gz ITJWINLVNIHGKT-UHFFFAOYSA-N 1 0 316.788 4.113 20 5 DIBDRO C[C@@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000483130133 1048742279 /nfs/dbraw/zinc/74/22/79/1048742279.db2.gz NEQGLLCFKYGVDK-CQSZACIVSA-N 1 0 314.385 4.103 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001190846063 1048794122 /nfs/dbraw/zinc/79/41/22/1048794122.db2.gz HSALAXGFWLZWKQ-GOSISDBHSA-N 1 0 324.424 4.358 20 5 DIBDRO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000160898010 1048797429 /nfs/dbraw/zinc/79/74/29/1048797429.db2.gz DHIAHHNSQQWJIM-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO COc1c(Cl)cccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903251732 1048848732 /nfs/dbraw/zinc/84/87/32/1048848732.db2.gz XYYUHZOVVKNGMU-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO CC(C)CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776604297 1048849404 /nfs/dbraw/zinc/84/94/04/1048849404.db2.gz AXTBMJVAYWFJCH-SJORKVTESA-N 1 0 322.449 4.069 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000483759451 1048855725 /nfs/dbraw/zinc/85/57/25/1048855725.db2.gz UWZBEADSEXIJRX-BBRMVZONSA-N 1 0 308.422 4.229 20 5 DIBDRO CC1(C)C[C@@]1([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000852772686 1048857493 /nfs/dbraw/zinc/85/74/93/1048857493.db2.gz PAXWVGBYDPVCFN-GOSISDBHSA-N 1 0 314.360 4.149 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001177282958 1048866191 /nfs/dbraw/zinc/86/61/91/1048866191.db2.gz QSJOQLOTUPGSKB-GDNBJRDFSA-N 1 0 322.408 4.277 20 5 DIBDRO Cc1c(Cl)cccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001177328587 1048871847 /nfs/dbraw/zinc/87/18/47/1048871847.db2.gz OZAQXNZCRKZSDG-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC(F)(F)F ZINC000853096079 1048882736 /nfs/dbraw/zinc/88/27/36/1048882736.db2.gz MQOSPXYVKVWQDO-UHFFFAOYSA-N 1 0 324.730 4.316 20 5 DIBDRO CC(C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000775443519 1048893999 /nfs/dbraw/zinc/89/39/99/1048893999.db2.gz BRRFFYFOQZVEHU-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO Cc1[nH]c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc2c1C ZINC001177541977 1048912814 /nfs/dbraw/zinc/91/28/14/1048912814.db2.gz HRADFIMNWQPPEX-UHFFFAOYSA-N 1 0 323.396 4.291 20 5 DIBDRO COc1ccc(C[NH2+][C@@H]2CCCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC001177733270 1048936321 /nfs/dbraw/zinc/93/63/21/1048936321.db2.gz JGDCSSXICSRAPF-CQSZACIVSA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000484481690 1048951753 /nfs/dbraw/zinc/95/17/53/1048951753.db2.gz WRUAINBRBQKRCV-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCc2ccccc21 ZINC001177855342 1048953672 /nfs/dbraw/zinc/95/36/72/1048953672.db2.gz SCEHBVOVROOWPL-VHUCWBOISA-N 1 0 322.408 4.318 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001177855340 1048954487 /nfs/dbraw/zinc/95/44/87/1048954487.db2.gz SCEHBVOVROOWPL-OTMARIDSSA-N 1 0 322.408 4.318 20 5 DIBDRO Cc1cc(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC001178170042 1048999503 /nfs/dbraw/zinc/99/95/03/1048999503.db2.gz HUIFOTALJVWQKU-UHFFFAOYSA-N 1 0 318.804 4.463 20 5 DIBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001178326471 1049021137 /nfs/dbraw/zinc/02/11/37/1049021137.db2.gz KWCXWJCJPAEKGK-BBRMVZONSA-N 1 0 322.836 4.373 20 5 DIBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001178326474 1049022618 /nfs/dbraw/zinc/02/26/18/1049022618.db2.gz KWCXWJCJPAEKGK-XJKSGUPXSA-N 1 0 322.836 4.373 20 5 DIBDRO CC[C@H](CSC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001178365754 1049029530 /nfs/dbraw/zinc/02/95/30/1049029530.db2.gz QQSKKXFJRQMUSW-CYBMUJFWSA-N 1 0 320.414 4.086 20 5 DIBDRO O[C@@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1F ZINC001204002688 1049059169 /nfs/dbraw/zinc/05/91/69/1049059169.db2.gz XCJLCUMBGMZVCQ-RBUKOAKNSA-N 1 0 319.379 4.099 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC001192261326 1049068946 /nfs/dbraw/zinc/06/89/46/1049068946.db2.gz DBCXWYXXJOSJQA-MNOVXSKESA-N 1 0 316.323 4.092 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC001178783539 1049086844 /nfs/dbraw/zinc/08/68/44/1049086844.db2.gz SMJCXWVYBOWUMD-PUJMQQBBSA-N 1 0 302.418 4.387 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)C2CC2)cc1Cl ZINC001204251532 1049121510 /nfs/dbraw/zinc/12/15/10/1049121510.db2.gz ZQWNPWSHBPZVMI-UHFFFAOYSA-N 1 0 316.788 4.413 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H](OC)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001192814628 1049139774 /nfs/dbraw/zinc/13/97/74/1049139774.db2.gz UMVYLMWEHNTJGQ-MSOLQXFVSA-N 1 0 320.433 4.231 20 5 DIBDRO C[C@@H]([NH2+]C/C=C\c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001179512089 1049177414 /nfs/dbraw/zinc/17/74/14/1049177414.db2.gz NGXFMMSHYKVCOA-SCXUMTSISA-N 1 0 300.333 4.098 20 5 DIBDRO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001179578994 1049179489 /nfs/dbraw/zinc/17/94/89/1049179489.db2.gz GFYSOZTYNKXASN-ZRMMWKCHSA-N 1 0 300.333 4.098 20 5 DIBDRO C[C@H]([NH2+]C/C=C\c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001179580002 1049185307 /nfs/dbraw/zinc/18/53/07/1049185307.db2.gz ZIRDKQZJYSZJRR-DXTPNHAXSA-N 1 0 300.333 4.098 20 5 DIBDRO CSC1CCC(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001179584357 1049185495 /nfs/dbraw/zinc/18/54/95/1049185495.db2.gz PBGPNYYGJJXUOS-UHFFFAOYSA-N 1 0 322.474 4.223 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)C2CCCCCC2)c([N+](=O)[O-])cc1F ZINC001193260214 1049191463 /nfs/dbraw/zinc/19/14/63/1049191463.db2.gz GXXVYMVNFGFRIO-GFCCVEGCSA-N 1 0 324.396 4.191 20 5 DIBDRO CCCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC001193225718 1049192675 /nfs/dbraw/zinc/19/26/75/1049192675.db2.gz RSRPKCLLVFFTSB-OAHLLOKOSA-N 1 0 306.406 4.052 20 5 DIBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C ZINC001193413023 1049210116 /nfs/dbraw/zinc/21/01/16/1049210116.db2.gz JWFZXHAJKWOWPB-CRAIPNDOSA-N 1 0 320.433 4.264 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000858320796 1049242098 /nfs/dbraw/zinc/24/20/98/1049242098.db2.gz JBNHICBRPVTJRP-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO [NH3+][C@H]1CN(Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1F ZINC001204820982 1049276357 /nfs/dbraw/zinc/27/63/57/1049276357.db2.gz WVFXAHQZHHHRDX-MOPGFXCFSA-N 1 0 318.395 4.065 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000858576842 1049279569 /nfs/dbraw/zinc/27/95/69/1049279569.db2.gz FRTBEXABYXSGCN-RISCZKNCSA-N 1 0 305.403 4.243 20 5 DIBDRO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(C)n1 ZINC001180178618 1049295947 /nfs/dbraw/zinc/29/59/47/1049295947.db2.gz XQIAPIPCGMFQBD-UHFFFAOYSA-N 1 0 313.401 4.017 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485696553 1049322249 /nfs/dbraw/zinc/32/22/49/1049322249.db2.gz AAGVBXXVWQICFR-LLVKDONJSA-N 1 0 313.382 4.055 20 5 DIBDRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000485713806 1049323409 /nfs/dbraw/zinc/32/34/09/1049323409.db2.gz DDSFNCIRUPQKSY-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO CC[C@H]1CCCC[C@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001180267498 1049323949 /nfs/dbraw/zinc/32/39/49/1049323949.db2.gz XCEVRJDRPAMGLH-HOCLYGCPSA-N 1 0 302.418 4.169 20 5 DIBDRO COc1cccc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000485714247 1049324346 /nfs/dbraw/zinc/32/43/46/1049324346.db2.gz DZEMVXAYTKBRFG-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001194232049 1049338260 /nfs/dbraw/zinc/33/82/60/1049338260.db2.gz SSJHFPVAHCNZQK-UHFFFAOYSA-N 1 0 322.408 4.075 20 5 DIBDRO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001205075797 1049363977 /nfs/dbraw/zinc/36/39/77/1049363977.db2.gz NXLKTAJBPWTALR-YJBOKZPZSA-N 1 0 304.437 4.305 20 5 DIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C)cc1 ZINC001205123398 1049387198 /nfs/dbraw/zinc/38/71/98/1049387198.db2.gz NPZMWNHSTFTHNP-UHFFFAOYSA-N 1 0 312.413 4.358 20 5 DIBDRO CC(C)([NH2+]C[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001180666243 1049395615 /nfs/dbraw/zinc/39/56/15/1049395615.db2.gz URVBTMPCIQNMDX-OAHLLOKOSA-N 1 0 310.397 4.150 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000486692537 1049453292 /nfs/dbraw/zinc/45/32/92/1049453292.db2.gz CWMBXLCEBWYFPF-LLVKDONJSA-N 1 0 313.332 4.066 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001194965950 1049455867 /nfs/dbraw/zinc/45/58/67/1049455867.db2.gz ZWIHLTKOTLZALE-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001205431955 1049469340 /nfs/dbraw/zinc/46/93/40/1049469340.db2.gz XNXKGYRKBUYKFE-GDBMZVCRSA-N 1 0 304.434 4.474 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC001205435014 1049469549 /nfs/dbraw/zinc/46/95/49/1049469549.db2.gz UDIUACJBBHXFNB-MJSCBBHESA-N 1 0 302.418 4.366 20 5 DIBDRO CC(C)(C)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000149761204 1049524603 /nfs/dbraw/zinc/52/46/03/1049524603.db2.gz MGLWVAVUWMYFHN-UHFFFAOYSA-N 1 0 304.415 4.244 20 5 DIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC001195639033 1049548776 /nfs/dbraw/zinc/54/87/76/1049548776.db2.gz RASABOKHQZXOCR-MRXNPFEDSA-N 1 0 318.417 4.018 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC001195612370 1049551258 /nfs/dbraw/zinc/55/12/58/1049551258.db2.gz DURDIKUJONUZDE-GFCCVEGCSA-N 1 0 312.360 4.207 20 5 DIBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001182260188 1049600751 /nfs/dbraw/zinc/60/07/51/1049600751.db2.gz CVXHNSIQRFFODG-DGCLKSJQSA-N 1 0 316.323 4.138 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)C1CC1 ZINC001206032261 1049633721 /nfs/dbraw/zinc/63/37/21/1049633721.db2.gz RIGCDHGECCGJIG-CQSZACIVSA-N 1 0 304.434 4.332 20 5 DIBDRO Cc1cccc(C)c1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774258813 1049638351 /nfs/dbraw/zinc/63/83/51/1049638351.db2.gz SYTVLIWMPDMGJS-LJQANCHMSA-N 1 0 310.397 4.379 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000175062150 1049646295 /nfs/dbraw/zinc/64/62/95/1049646295.db2.gz RIMNFUNFYVFPKI-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000488445735 1049656421 /nfs/dbraw/zinc/65/64/21/1049656421.db2.gz RZEMVJYIMAOUKD-JGGQBBKZSA-N 1 0 322.474 4.474 20 5 DIBDRO C/C=C/C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001196605580 1049674061 /nfs/dbraw/zinc/67/40/61/1049674061.db2.gz NJCUSZACBXIUND-YWVDXFKGSA-N 1 0 308.809 4.426 20 5 DIBDRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000488592897 1049680749 /nfs/dbraw/zinc/68/07/49/1049680749.db2.gz KYTDABOODZBXMQ-CQSZACIVSA-N 1 0 314.385 4.187 20 5 DIBDRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000488592895 1049681304 /nfs/dbraw/zinc/68/13/04/1049681304.db2.gz KYTDABOODZBXMQ-AWEZNQCLSA-N 1 0 314.385 4.187 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001206239185 1049686659 /nfs/dbraw/zinc/68/66/59/1049686659.db2.gz AYWJRFAKMKSLFF-RHSMWYFYSA-N 1 0 304.434 4.474 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCC1CC1 ZINC001182604910 1049693595 /nfs/dbraw/zinc/69/35/95/1049693595.db2.gz NEERSPFWLNHDRB-DOTOQJQBSA-N 1 0 302.418 4.086 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000489157239 1049732355 /nfs/dbraw/zinc/73/23/55/1049732355.db2.gz NTWFQVCNHZTUNU-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489854285 1049785552 /nfs/dbraw/zinc/78/55/52/1049785552.db2.gz GJOMGIPMCRXCGZ-UKRRQHHQSA-N 1 0 314.360 4.284 20 5 DIBDRO CC1(C)C[C@@]1(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001206753833 1049792267 /nfs/dbraw/zinc/79/22/67/1049792267.db2.gz RPJZMFKYQPKICJ-HXUWFJFHSA-N 1 0 324.424 4.095 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC001207526895 1049904971 /nfs/dbraw/zinc/90/49/71/1049904971.db2.gz LYOJMLBQFWEYGG-NEPJUHHUSA-N 1 0 311.341 4.148 20 5 DIBDRO Cn1ccc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)n1 ZINC000760651177 1049906129 /nfs/dbraw/zinc/90/61/29/1049906129.db2.gz YEXPUANDOFYKBI-UHFFFAOYSA-N 1 0 315.420 4.059 20 5 DIBDRO COCC(C)(C)CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000588930335 1050013261 /nfs/dbraw/zinc/01/32/61/1050013261.db2.gz WZKVOTPJUIYAHG-PTNGSMBKSA-N 1 0 320.433 4.041 20 5 DIBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000589600770 1050048197 /nfs/dbraw/zinc/04/81/97/1050048197.db2.gz OIAPXVRHUYGIIM-MLGOLLRUSA-N 1 0 319.430 4.068 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc3ccccc3s2)c(F)c1 ZINC000590191923 1050081423 /nfs/dbraw/zinc/08/14/23/1050081423.db2.gz BBGRNFUDLLYTSF-UHFFFAOYSA-N 1 0 316.357 4.238 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000058092704 1050167900 /nfs/dbraw/zinc/16/79/00/1050167900.db2.gz IBQJNXQOQPLVDO-UHFFFAOYSA-N 1 0 306.365 4.080 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000573697555 1050245178 /nfs/dbraw/zinc/24/51/78/1050245178.db2.gz UQGUAXRGLDZRRZ-SJKOYZFVSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1ccc(C[NH2+]C2(c3ccccc3F)CCC2)cc1[N+](=O)[O-] ZINC000592376002 1050290335 /nfs/dbraw/zinc/29/03/35/1050290335.db2.gz WIEGOHNURCFGBK-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000592392384 1050292525 /nfs/dbraw/zinc/29/25/25/1050292525.db2.gz PQERVXDXNLNBKR-IAQYHMDHSA-N 1 0 312.360 4.243 20 5 DIBDRO CCn1cc(C[NH2+]Cc2c3ccccc3cc3ccccc32)cn1 ZINC000735676631 1050420183 /nfs/dbraw/zinc/42/01/83/1050420183.db2.gz XRIZIQCMTYXYBC-UHFFFAOYSA-N 1 0 315.420 4.499 20 5 DIBDRO C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000844636998 1050474645 /nfs/dbraw/zinc/47/46/45/1050474645.db2.gz OHLAZQIXTUFDNF-ZYHUDNBSSA-N 1 0 317.216 4.219 20 5 DIBDRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000059037681 1050485623 /nfs/dbraw/zinc/48/56/23/1050485623.db2.gz ONQNXBYJIWTZQP-HNNXBMFYSA-N 1 0 316.426 4.474 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594496090 1050518339 /nfs/dbraw/zinc/51/83/39/1050518339.db2.gz ZZWJEFBFCAQZFE-NVXWUHKLSA-N 1 0 311.385 4.108 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000594517412 1050527719 /nfs/dbraw/zinc/52/77/19/1050527719.db2.gz BVBZWSGCXSORAT-CABCVRRESA-N 1 0 318.417 4.046 20 5 DIBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594518624 1050527963 /nfs/dbraw/zinc/52/79/63/1050527963.db2.gz IHROGRZWXYNAOE-RYWCDNDXSA-N 1 0 324.371 4.412 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594519339 1050530908 /nfs/dbraw/zinc/53/09/08/1050530908.db2.gz JSKQLANFEHCJCO-ZBFHGGJFSA-N 1 0 318.417 4.046 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001168405684 1050554916 /nfs/dbraw/zinc/55/49/16/1050554916.db2.gz ZPWQNYAIEYLEGB-UGFHNGPFSA-N 1 0 308.809 4.259 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000746653143 1050560374 /nfs/dbraw/zinc/56/03/74/1050560374.db2.gz CKVXAAISQFWRPJ-UHFFFAOYSA-N 1 0 316.788 4.417 20 5 DIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059387529 1050573167 /nfs/dbraw/zinc/57/31/67/1050573167.db2.gz CTBASLHYCPAWPF-INIZCTEOSA-N 1 0 316.426 4.208 20 5 DIBDRO CC(C)(F)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000594974133 1050573573 /nfs/dbraw/zinc/57/35/73/1050573573.db2.gz ZLOSSLMVNRFEGV-UHFFFAOYSA-N 1 0 306.337 4.083 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000594969939 1050573801 /nfs/dbraw/zinc/57/38/01/1050573801.db2.gz UOZPRTMXDKCKGF-KRWDZBQOSA-N 1 0 302.349 4.221 20 5 DIBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000594991111 1050591176 /nfs/dbraw/zinc/59/11/76/1050591176.db2.gz ZWLCYTYLBWKXJX-KGBMDGOKSA-N 1 0 306.381 4.114 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000595006334 1050592577 /nfs/dbraw/zinc/59/25/77/1050592577.db2.gz IYRIIBSQGZVSAE-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CSCC1(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000595065940 1050597004 /nfs/dbraw/zinc/59/70/04/1050597004.db2.gz HNTXWGGLQRCNOI-AWEZNQCLSA-N 1 0 322.474 4.039 20 5 DIBDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000595107182 1050607054 /nfs/dbraw/zinc/60/70/54/1050607054.db2.gz WJHXDEKZWTWGHN-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1noc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595296099 1050619518 /nfs/dbraw/zinc/61/95/18/1050619518.db2.gz IFSQFPQNMYTURN-OAHLLOKOSA-N 1 0 315.373 4.009 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595414672 1050630677 /nfs/dbraw/zinc/63/06/77/1050630677.db2.gz JESXBEWNZSFGTG-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CSc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000595422381 1050632632 /nfs/dbraw/zinc/63/26/32/1050632632.db2.gz WZLJIBLCXGBMNL-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595424259 1050633199 /nfs/dbraw/zinc/63/31/99/1050633199.db2.gz PYEHGTUPEAYJEB-SFHVURJKSA-N 1 0 314.360 4.283 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000595419469 1050633224 /nfs/dbraw/zinc/63/32/24/1050633224.db2.gz YHSUNKSNTUKHQI-QGZVFWFLSA-N 1 0 314.360 4.365 20 5 DIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788024138 1050640178 /nfs/dbraw/zinc/64/01/78/1050640178.db2.gz PJOKKUALWXIQJJ-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846105057 1050669607 /nfs/dbraw/zinc/66/96/07/1050669607.db2.gz POBGKBOUKSNSOA-OIQJVACTSA-N 1 0 322.355 4.119 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1F ZINC000788471052 1050685654 /nfs/dbraw/zinc/68/56/54/1050685654.db2.gz RYENMCSTHJNNOL-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccco2)C2CCCC2)cc1F ZINC000788479595 1050687841 /nfs/dbraw/zinc/68/78/41/1050687841.db2.gz WYOBXPPCNZRKQU-UHFFFAOYSA-N 1 0 318.348 4.272 20 5 DIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000788479582 1050688020 /nfs/dbraw/zinc/68/80/20/1050688020.db2.gz WRJIDIRMODKOTB-KRWDZBQOSA-N 1 0 314.360 4.379 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497197 1050690312 /nfs/dbraw/zinc/69/03/12/1050690312.db2.gz FXKILEBLLJWRMA-QWRGUYRKSA-N 1 0 319.792 4.242 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cccc1[N+](=O)[O-] ZINC000846186312 1050690524 /nfs/dbraw/zinc/69/05/24/1050690524.db2.gz BBALIJMWEXXFQR-GLQYFDAESA-N 1 0 314.788 4.259 20 5 DIBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788502847 1050692208 /nfs/dbraw/zinc/69/22/08/1050692208.db2.gz AFFILEPSEJSBJJ-SCLBCKFNSA-N 1 0 313.401 4.225 20 5 DIBDRO Cc1cccc(CCCNc2ccc(C(F)F)cc2[N+](=O)[O-])n1 ZINC000596232312 1050693755 /nfs/dbraw/zinc/69/37/55/1050693755.db2.gz BFXWDQPFQAPVKU-UHFFFAOYSA-N 1 0 321.327 4.281 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788563208 1050704248 /nfs/dbraw/zinc/70/42/48/1050704248.db2.gz OOIDQOJIDJHVEL-ZDUSSCGKSA-N 1 0 313.401 4.151 20 5 DIBDRO C[C@H](Cc1ccco1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788574899 1050708008 /nfs/dbraw/zinc/70/80/08/1050708008.db2.gz CYONAYXWHHWTQL-PXAZEXFGSA-N 1 0 314.385 4.131 20 5 DIBDRO CSC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788583561 1050708274 /nfs/dbraw/zinc/70/82/74/1050708274.db2.gz ANGWOUDWLANZFF-CQSZACIVSA-N 1 0 308.447 4.048 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000788667727 1050730024 /nfs/dbraw/zinc/73/00/24/1050730024.db2.gz HZFDHYDFORTCJX-NEPJUHHUSA-N 1 0 317.364 4.036 20 5 DIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000741800448 1050745048 /nfs/dbraw/zinc/74/50/48/1050745048.db2.gz LMNLDUCAJGPQHZ-QGZVFWFLSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000773038018 1051033751 /nfs/dbraw/zinc/03/37/51/1051033751.db2.gz YWDRPFUFEFWOHF-SNVBAGLBSA-N 1 0 316.854 4.258 20 5 DIBDRO C[C@@H](Cc1cccs1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036992790 1051106209 /nfs/dbraw/zinc/10/62/09/1051106209.db2.gz NFKHORBEOXKNNE-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+]C2CCCCCCC2)c([N+](=O)[O-])c1 ZINC001170306233 1051176947 /nfs/dbraw/zinc/17/69/47/1051176947.db2.gz SQYCQIKRNPKEIF-AWEZNQCLSA-N 1 0 320.433 4.237 20 5 DIBDRO CCC1([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC001170305378 1051179029 /nfs/dbraw/zinc/17/90/29/1051179029.db2.gz JWLFHFFBLQBKRF-CQSZACIVSA-N 1 0 320.433 4.237 20 5 DIBDRO CCC[N@H+]([C@H](C)CC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170326659 1051184881 /nfs/dbraw/zinc/18/48/81/1051184881.db2.gz BHRNESOJOBRUHJ-ZIAGYGMSSA-N 1 0 308.422 4.045 20 5 DIBDRO COc1ccc(C[C@H](C)[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170352785 1051187816 /nfs/dbraw/zinc/18/78/16/1051187816.db2.gz QGDQHWDQKGAWBN-AWEZNQCLSA-N 1 0 320.433 4.047 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(F)(F)CC2)o1 ZINC000793361080 1051288187 /nfs/dbraw/zinc/28/81/87/1051288187.db2.gz CQXILRZCGBPJQQ-UHFFFAOYSA-N 1 0 322.311 4.086 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(F)(F)CC3)o2)cc1 ZINC000793351967 1051292837 /nfs/dbraw/zinc/29/28/37/1051292837.db2.gz JWTMRBWGEPOPOZ-UHFFFAOYSA-N 1 0 322.311 4.086 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000746049233 1051310780 /nfs/dbraw/zinc/31/07/80/1051310780.db2.gz NGHBSCSJDBAYND-QWHCGFSZSA-N 1 0 302.349 4.188 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000746049231 1051311128 /nfs/dbraw/zinc/31/11/28/1051311128.db2.gz NGHBSCSJDBAYND-CHWSQXEVSA-N 1 0 302.349 4.188 20 5 DIBDRO Cc1cc([N+](=O)[O-])cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1F ZINC001170452707 1051419813 /nfs/dbraw/zinc/41/98/13/1051419813.db2.gz AAJVGOTZKCBTAN-UHFFFAOYSA-N 1 0 323.412 4.106 20 5 DIBDRO CCC[C@@H]([NH2+]CCNc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000766514593 1051454269 /nfs/dbraw/zinc/45/42/69/1051454269.db2.gz IIWKPIASYBNDGS-GOSISDBHSA-N 1 0 313.401 4.138 20 5 DIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001168980089 1051477377 /nfs/dbraw/zinc/47/73/77/1051477377.db2.gz IDRKYFFLSBCZPY-BDJLRTHQSA-N 1 0 312.360 4.322 20 5 DIBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C ZINC001169042851 1051492663 /nfs/dbraw/zinc/49/26/63/1051492663.db2.gz GMVDZQSCVMWBHN-NEWSRXKRSA-N 1 0 316.445 4.276 20 5 DIBDRO CC1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172898012 1051550051 /nfs/dbraw/zinc/55/00/51/1051550051.db2.gz HMRGVVYAOWTPMY-IMRCBTMISA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCCCC1)CC2 ZINC001172898304 1051551586 /nfs/dbraw/zinc/55/15/86/1051551586.db2.gz KLRJCSCNLULMRC-KRWDZBQOSA-N 1 0 302.418 4.012 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CCCCC1)CC2 ZINC001172898305 1051552381 /nfs/dbraw/zinc/55/23/81/1051552381.db2.gz KLRJCSCNLULMRC-QGZVFWFLSA-N 1 0 302.418 4.012 20 5 DIBDRO CC(C)(CC1CC1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903805 1051553702 /nfs/dbraw/zinc/55/37/02/1051553702.db2.gz JDAUMMHFLGFMQF-MRXNPFEDSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905044 1051553939 /nfs/dbraw/zinc/55/39/39/1051553939.db2.gz BTQJKRBYSYSFGN-VBQJREDUSA-N 1 0 302.418 4.105 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCC(F)(F)CC1)CC2 ZINC001172895981 1051567993 /nfs/dbraw/zinc/56/79/93/1051567993.db2.gz KHPDLMWNYANOMJ-AWEZNQCLSA-N 1 0 324.371 4.010 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(C1)CCCCC3)CC2 ZINC001172920931 1051572016 /nfs/dbraw/zinc/57/20/16/1051572016.db2.gz MLNPBAAFWSRWFN-KRWDZBQOSA-N 1 0 314.429 4.108 20 5 DIBDRO Cc1cccc2c1C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172909393 1051580558 /nfs/dbraw/zinc/58/05/58/1051580558.db2.gz RMNHFLSSCRBCMT-SFHVURJKSA-N 1 0 322.408 4.166 20 5 DIBDRO C[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911207 1051580663 /nfs/dbraw/zinc/58/06/63/1051580663.db2.gz HMRGVVYAOWTPMY-JQFCIGGWSA-N 1 0 302.418 4.011 20 5 DIBDRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912064 1051580995 /nfs/dbraw/zinc/58/09/95/1051580995.db2.gz LNPFQTQQGCWCJF-WBVHZDCISA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1Cl ZINC000761506865 1051582931 /nfs/dbraw/zinc/58/29/31/1051582931.db2.gz OEPMPNMWVPIIHJ-HNNXBMFYSA-N 1 0 316.788 4.238 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761515431 1051586458 /nfs/dbraw/zinc/58/64/58/1051586458.db2.gz LGBADPYBBRDWSA-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)c1ccccc1 ZINC001173215343 1051633430 /nfs/dbraw/zinc/63/34/30/1051633430.db2.gz VDVVFROTBNQIIQ-HNNXBMFYSA-N 1 0 312.413 4.093 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173218367 1051634570 /nfs/dbraw/zinc/63/45/70/1051634570.db2.gz ALRXDFVGPQGLGY-KUHUBIRLSA-N 1 0 310.397 4.111 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC001173216640 1051635378 /nfs/dbraw/zinc/63/53/78/1051635378.db2.gz MIWOGYAIZDDIAQ-LIRRHRJNSA-N 1 0 310.397 4.267 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173216566 1051635677 /nfs/dbraw/zinc/63/56/77/1051635677.db2.gz CWLXQSBBKVCEDE-JKSUJKDBSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001173220661 1051636295 /nfs/dbraw/zinc/63/62/95/1051636295.db2.gz DQUPOAWBEMLJCE-WFASDCNBSA-N 1 0 324.371 4.083 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC001173222941 1051636318 /nfs/dbraw/zinc/63/63/18/1051636318.db2.gz GDMHVOKXEOSEJZ-MRXNPFEDSA-N 1 0 324.424 4.138 20 5 DIBDRO CC(C)[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223968 1051636653 /nfs/dbraw/zinc/63/66/53/1051636653.db2.gz CLFVYVQWWWJODO-INIZCTEOSA-N 1 0 312.413 4.436 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001173221289 1051637233 /nfs/dbraw/zinc/63/72/33/1051637233.db2.gz HNEAVKCQLPDFFF-GJZGRUSLSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C1CCCCC1 ZINC001173220864 1051637392 /nfs/dbraw/zinc/63/73/92/1051637392.db2.gz HJEGLADULAWQDL-AWEZNQCLSA-N 1 0 304.434 4.474 20 5 DIBDRO Cc1ccccc1C(C)(C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226590 1051638997 /nfs/dbraw/zinc/63/89/97/1051638997.db2.gz YAXFOMNXNYKGHT-OAHLLOKOSA-N 1 0 312.413 4.359 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001173231095 1051639250 /nfs/dbraw/zinc/63/92/50/1051639250.db2.gz XJODRTXPWXWVNR-QAPCUYQASA-N 1 0 324.424 4.236 20 5 DIBDRO Cc1ccc(C2([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173235424 1051640663 /nfs/dbraw/zinc/64/06/63/1051640663.db2.gz SULLBPQQNGMGPI-HNNXBMFYSA-N 1 0 310.397 4.113 20 5 DIBDRO Cc1ccc(CC[N@@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173232881 1051641429 /nfs/dbraw/zinc/64/14/29/1051641429.db2.gz ITSUGMYKTRKMSB-INIZCTEOSA-N 1 0 312.413 4.009 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001173234017 1051641487 /nfs/dbraw/zinc/64/14/87/1051641487.db2.gz OANFVBDVLBAIAD-QGPMSJSTSA-N 1 0 302.418 4.180 20 5 DIBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2CC)ccc1[N+](=O)[O-] ZINC001169557764 1051645278 /nfs/dbraw/zinc/64/52/78/1051645278.db2.gz ZNRKVSNUBJXSDR-CABCVRRESA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1C(F)F ZINC001173212322 1051648845 /nfs/dbraw/zinc/64/88/45/1051648845.db2.gz ZGWVFAHPFJNERE-GFCCVEGCSA-N 1 0 320.339 4.253 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC001173236667 1051670514 /nfs/dbraw/zinc/67/05/14/1051670514.db2.gz DQYKGJVFDVEKBU-HNNXBMFYSA-N 1 0 302.418 4.182 20 5 DIBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000805839434 1051688673 /nfs/dbraw/zinc/68/86/73/1051688673.db2.gz JNQAXDXGDNPNSG-UHFFFAOYSA-N 1 0 318.751 4.258 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000609204412 1051892471 /nfs/dbraw/zinc/89/24/71/1051892471.db2.gz NAVLUSGRXWGPPQ-CHWSQXEVSA-N 1 0 306.406 4.002 20 5 DIBDRO Cc1cscc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000494472907 1051900509 /nfs/dbraw/zinc/90/05/09/1051900509.db2.gz OUXXEVHPKQDYKG-ZDUSSCGKSA-N 1 0 304.415 4.076 20 5 DIBDRO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)o1 ZINC000768338430 1051921410 /nfs/dbraw/zinc/92/14/10/1051921410.db2.gz OVCWPNMOIGNMDN-UHFFFAOYSA-N 1 0 302.374 4.215 20 5 DIBDRO Cc1cc2cc3cc(C)c(Nc4cnn(C)c4)cc3[nH+]c2cc1N ZINC001174332255 1052103468 /nfs/dbraw/zinc/10/34/68/1052103468.db2.gz MXNMEWOSOKYNLV-UHFFFAOYSA-N 1 0 317.396 4.064 20 5 DIBDRO F[C@H]1C[NH2+]C[C@H]1OCc1ccc2ccc3cccc4ccc1c2c34 ZINC001217775674 1052139587 /nfs/dbraw/zinc/13/95/87/1052139587.db2.gz DBTHTESPURTFQA-RBUKOAKNSA-N 1 0 319.379 4.411 20 5 DIBDRO C[C@H](OCc1c2ccccc2nc2ccccc21)C1CC[NH2+]CC1 ZINC001217779975 1052141631 /nfs/dbraw/zinc/14/16/31/1052141631.db2.gz ZCDWPDCICGLZQN-HNNXBMFYSA-N 1 0 320.436 4.293 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001217806038 1052147193 /nfs/dbraw/zinc/14/71/93/1052147193.db2.gz OIENTOFAEJAHDE-NHCUHLMSSA-N 1 0 318.420 4.047 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2COC1CC2(CC[NH2+]2)C1 ZINC001217847671 1052154448 /nfs/dbraw/zinc/15/44/48/1052154448.db2.gz DYAWNVLERCXWQI-UHFFFAOYSA-N 1 0 303.405 4.404 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@H]1CCC12C[NH2+]C2 ZINC001217849952 1052155233 /nfs/dbraw/zinc/15/52/33/1052155233.db2.gz PSGGUJWRDMTGHJ-FQEVSTJZSA-N 1 0 303.405 4.262 20 5 DIBDRO F[C@@H]1CC[NH2+]C[C@@H]1OCc1c2ccccc2cc2ccccc21 ZINC001217876743 1052161569 /nfs/dbraw/zinc/16/15/69/1052161569.db2.gz QNIKOJJGMCTAAI-UXHICEINSA-N 1 0 309.384 4.210 20 5 DIBDRO F[C@H]1CC[NH2+]CC[C@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001218019048 1052184990 /nfs/dbraw/zinc/18/49/90/1052184990.db2.gz OJPFYSKHZZXMJL-VQTJNVASSA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218025268 1052186556 /nfs/dbraw/zinc/18/65/56/1052186556.db2.gz SFQYAYCYXJEMPR-KDOFPFPSSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218030519 1052188474 /nfs/dbraw/zinc/18/84/74/1052188474.db2.gz RYJXRALSXFKYHC-AUUYWEPGSA-N 1 0 321.420 4.466 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4C[NH2+]CC[C@H]4C)c3c2n1 ZINC001218045211 1052188596 /nfs/dbraw/zinc/18/85/96/1052188596.db2.gz JRAJANDNSZVVEE-BFUOFWGJSA-N 1 0 320.436 4.382 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@H]3CCC34CC[NH2+]CC4)cc2c1 ZINC001218083710 1052193976 /nfs/dbraw/zinc/19/39/76/1052193976.db2.gz VDRSIDNITKHSNX-IBGZPJMESA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@H]3CCC[C@]34CC[NH2+]C4)cc2c1 ZINC001218094736 1052196058 /nfs/dbraw/zinc/19/60/58/1052196058.db2.gz NLEKXJMRQXZORG-PZJWPPBQSA-N 1 0 318.420 4.299 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(OC3CC4(C3)CC[NH2+]CC4)c12 ZINC001218102826 1052197629 /nfs/dbraw/zinc/19/76/29/1052197629.db2.gz GKUUGJLQOZNTKL-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c2ccccc12 ZINC001218251267 1052212616 /nfs/dbraw/zinc/21/26/16/1052212616.db2.gz RYCXHXNOVPJRTH-LPMFXHHGSA-N 1 0 319.404 4.218 20 5 DIBDRO CCCNc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000193156716 1052214256 /nfs/dbraw/zinc/21/42/56/1052214256.db2.gz ZVCIMTLRFWXPRP-UHFFFAOYSA-N 1 0 313.401 4.015 20 5 DIBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218414388 1052237660 /nfs/dbraw/zinc/23/76/60/1052237660.db2.gz KLVIGOURIPNWLN-UGSOOPFHSA-N 1 0 307.393 4.075 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c2ccccc12 ZINC001218458837 1052241810 /nfs/dbraw/zinc/24/18/10/1052241810.db2.gz DKOPIFBGYHHVLR-MJXNMMHHSA-N 1 0 319.404 4.075 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218465836 1052242382 /nfs/dbraw/zinc/24/23/82/1052242382.db2.gz JYVIOEOJVUSQIZ-FFZOFVMBSA-N 1 0 303.405 4.370 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccsc1 ZINC000495222254 1052260370 /nfs/dbraw/zinc/26/03/70/1052260370.db2.gz NUIJUXJCCGIFFR-ZDUSSCGKSA-N 1 0 304.415 4.109 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000194384353 1052538664 /nfs/dbraw/zinc/53/86/64/1052538664.db2.gz NFZPKLVTDNRDQO-MNOVXSKESA-N 1 0 319.430 4.388 20 5 DIBDRO CC(C)[N@@H+]1CC[C@@H](OCc2c3ccccc3nc3ccccc32)C1 ZINC001223336759 1052591462 /nfs/dbraw/zinc/59/14/62/1052591462.db2.gz RZVMYILFBZTYSY-MRXNPFEDSA-N 1 0 320.436 4.387 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000112017882 1052638360 /nfs/dbraw/zinc/63/83/60/1052638360.db2.gz NTGJLVAABFJXKI-HNNXBMFYSA-N 1 0 304.777 4.489 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000916970118 1052675526 /nfs/dbraw/zinc/67/55/26/1052675526.db2.gz LSTHIHOKSBEWEJ-UHFFFAOYSA-N 1 0 318.323 4.038 20 5 DIBDRO CC[C@@H](OCCC[N+](C)(C)C)c1ccc(Br)cc1 ZINC001224623710 1052710716 /nfs/dbraw/zinc/71/07/16/1052710716.db2.gz PXWJZGKDGZMKCS-OAHLLOKOSA-N 1 0 315.275 4.013 20 5 DIBDRO C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OCC[N+](C)(C)C)C1 ZINC001224776327 1052724313 /nfs/dbraw/zinc/72/43/13/1052724313.db2.gz VJHIGSOFJBIXBM-MISYRCLQSA-N 1 0 318.525 4.492 20 5 DIBDRO C[N+](C)(C)CCO[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001224772423 1052724407 /nfs/dbraw/zinc/72/44/07/1052724407.db2.gz ZYELPBXDLALWNU-GOSISDBHSA-N 1 0 304.841 4.152 20 5 DIBDRO CC1=CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000556240226 1052825190 /nfs/dbraw/zinc/82/51/90/1052825190.db2.gz IJADWYXOCDSTBP-ZDUSSCGKSA-N 1 0 314.307 4.202 20 5 DIBDRO CC(C)C1([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000556230541 1052825437 /nfs/dbraw/zinc/82/54/37/1052825437.db2.gz NVEIFNBWCQSVLF-HOCLYGCPSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000194760976 1052839159 /nfs/dbraw/zinc/83/91/59/1052839159.db2.gz NRLOYWMOQMZZJF-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000609287657 1052841105 /nfs/dbraw/zinc/84/11/05/1052841105.db2.gz IXIOPSZXGRRFOF-OWCLPIDISA-N 1 0 318.417 4.052 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000498488024 1052842268 /nfs/dbraw/zinc/84/22/68/1052842268.db2.gz PLGNDTPKFHJTKG-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO CC[C@H]([NH2+]CCC1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000556981666 1052908436 /nfs/dbraw/zinc/90/84/36/1052908436.db2.gz KHZWRSYFBFDZQK-DEYYWGMASA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000489854282 1052975306 /nfs/dbraw/zinc/97/53/06/1052975306.db2.gz GJOMGIPMCRXCGZ-DZGCQCFKSA-N 1 0 314.360 4.284 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609672582 1052986575 /nfs/dbraw/zinc/98/65/75/1052986575.db2.gz QQCHMEVSFCTPRU-HIFRSBDPSA-N 1 0 314.360 4.112 20 5 DIBDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000609709026 1052988468 /nfs/dbraw/zinc/98/84/68/1052988468.db2.gz KWLFVFSPJVCLJT-INIZCTEOSA-N 1 0 318.804 4.359 20 5 DIBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000609705182 1052988582 /nfs/dbraw/zinc/98/85/82/1052988582.db2.gz ATBKIIHRMHWHRW-INIZCTEOSA-N 1 0 316.788 4.368 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2c(Cl)cccc2C1 ZINC000610079977 1053007278 /nfs/dbraw/zinc/00/72/78/1053007278.db2.gz RAPIABDMXIYIPN-LBPRGKRZSA-N 1 0 316.788 4.368 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1F ZINC000179631951 1053018977 /nfs/dbraw/zinc/01/89/77/1053018977.db2.gz BWZGQXMKGJVMDN-INIZCTEOSA-N 1 0 320.339 4.422 20 5 DIBDRO CC[C@H](Cc1cccs1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000616357517 1053054222 /nfs/dbraw/zinc/05/42/22/1053054222.db2.gz SZBJLCJWHOZMSK-CQSZACIVSA-N 1 0 304.415 4.076 20 5 DIBDRO Cc1c(C[NH2+][C@H]2c3ccccc3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000616357127 1053054441 /nfs/dbraw/zinc/05/44/41/1053054441.db2.gz JYVFJYLCFPNVNX-BFUOFWGJSA-N 1 0 310.397 4.316 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCC(F)F)c2ccccc2)c1 ZINC001350636431 1053092186 /nfs/dbraw/zinc/09/21/86/1053092186.db2.gz NXIBOQRHYCMPBG-QGZVFWFLSA-N 1 0 320.339 4.319 20 5 DIBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000180859065 1053100035 /nfs/dbraw/zinc/10/00/35/1053100035.db2.gz FASNNKXTWNZXOD-CRAIPNDOSA-N 1 0 305.421 4.196 20 5 DIBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc3nc4ccccc4nc3c2)CC1 ZINC001228742409 1053171901 /nfs/dbraw/zinc/17/19/01/1053171901.db2.gz YQRDUCNAKLVYCG-SHTZXODSSA-N 1 0 321.424 4.035 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC001319768315 1053271526 /nfs/dbraw/zinc/27/15/26/1053271526.db2.gz XJWLVCJGZDKWKC-AWEZNQCLSA-N 1 0 310.397 4.243 20 5 DIBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618554305 1053324224 /nfs/dbraw/zinc/32/42/24/1053324224.db2.gz YLEIBAIFJQOATA-LBPRGKRZSA-N 1 0 317.389 4.137 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc(/C=C/c2ccccc2)c1 ZINC001229672424 1053380390 /nfs/dbraw/zinc/38/03/90/1053380390.db2.gz WFWYJGYTNJABMO-SIFUEBAJSA-O 1 0 312.433 4.036 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(O)cc(Cl)c2)cc1[N+](=O)[O-] ZINC001352749538 1053398122 /nfs/dbraw/zinc/39/81/22/1053398122.db2.gz IDFZINKGJIMSKT-NSHDSACASA-N 1 0 320.776 4.113 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc3ccccc3[nH]2)cc1 ZINC000618967720 1053408316 /nfs/dbraw/zinc/40/83/16/1053408316.db2.gz IGZWEYMFOQLHSY-UHFFFAOYSA-N 1 0 323.396 4.189 20 5 DIBDRO C[C@@H](c1cccc(O)c1)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182335517 1053414251 /nfs/dbraw/zinc/41/42/51/1053414251.db2.gz NECUXXQDHMEUJJ-NSHDSACASA-N 1 0 320.776 4.147 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001229962527 1053440734 /nfs/dbraw/zinc/44/07/34/1053440734.db2.gz BWWYPPHVWCYVQR-IMRBUKKESA-N 1 0 324.808 4.031 20 5 DIBDRO CCCCCc1cc(F)c(O[C@H](C)C[N+](C)(C)C)c(F)c1 ZINC001229972323 1053443248 /nfs/dbraw/zinc/44/32/48/1053443248.db2.gz XUXCZZGKHZSSNY-CYBMUJFWSA-N 1 0 300.413 4.171 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccsc1 ZINC000619754264 1053548343 /nfs/dbraw/zinc/54/83/43/1053548343.db2.gz VMELHZHQNKWAIU-OLZOCXBDSA-N 1 0 304.415 4.328 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000183481953 1053666056 /nfs/dbraw/zinc/66/60/56/1053666056.db2.gz GRXMJNOTXJFLJC-UHFFFAOYSA-N 1 0 316.788 4.336 20 5 DIBDRO Cc1oc2ccccc2c1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324752724 1053678789 /nfs/dbraw/zinc/67/87/89/1053678789.db2.gz RKKNTXAHVVIWJQ-UHFFFAOYSA-N 1 0 308.337 4.165 20 5 DIBDRO CC(C)c1ccc(C[N@H+](C)[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000183710461 1053741218 /nfs/dbraw/zinc/74/12/18/1053741218.db2.gz HTMRJCHLIWXMKQ-CQSZACIVSA-N 1 0 313.401 4.306 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001327607497 1053867620 /nfs/dbraw/zinc/86/76/20/1053867620.db2.gz OWXUAPXNFYCQCX-BEAPCOKYSA-N 1 0 310.344 4.069 20 5 DIBDRO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C[C@H]1CC1(C)C ZINC001232221937 1053994752 /nfs/dbraw/zinc/99/47/52/1053994752.db2.gz GRYLSMXURQCNBF-MRXNPFEDSA-N 1 0 305.425 4.261 20 5 DIBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C2(CC2)C1 ZINC001232227003 1053995002 /nfs/dbraw/zinc/99/50/02/1053995002.db2.gz ZEMPEHZKMFPMKS-CQSZACIVSA-N 1 0 303.409 4.157 20 5 DIBDRO CN(Cc1ccsc1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232223741 1053995509 /nfs/dbraw/zinc/99/55/09/1053995509.db2.gz VIIZFEIRZAAZPC-UHFFFAOYSA-N 1 0 319.433 4.477 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)nc12 ZINC001232220567 1053996911 /nfs/dbraw/zinc/99/69/11/1053996911.db2.gz QKSCMTNOGQNDLB-YJBOKZPZSA-N 1 0 317.436 4.405 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H](C)C1 ZINC001232221737 1053997162 /nfs/dbraw/zinc/99/71/62/1053997162.db2.gz DKJYEZFQCXJBQO-HUUCEWRRSA-N 1 0 305.425 4.403 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC001200810760 1053997765 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DIBDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000072637490 1054472823 /nfs/dbraw/zinc/47/28/23/1054472823.db2.gz AAOPLANPUWQAIS-YOEHRIQHSA-N 1 0 313.401 4.346 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H]2CC23CC3)o1 ZINC001345484890 1054495857 /nfs/dbraw/zinc/49/58/57/1054495857.db2.gz SYTUYTLRQXQSKY-HNNXBMFYSA-N 1 0 318.760 4.150 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H]2CC23CC3)o1 ZINC001345484894 1054496377 /nfs/dbraw/zinc/49/63/77/1054496377.db2.gz SYTUYTLRQXQSKY-OAHLLOKOSA-N 1 0 318.760 4.150 20 5 DIBDRO CC[N@@H+]1CC[C@H](Oc2cccc3ccc4c(C)cc(C)nc4c32)C1 ZINC001234913403 1054619251 /nfs/dbraw/zinc/61/92/51/1054619251.db2.gz OAYWXJMCBHSZLH-KRWDZBQOSA-N 1 0 320.436 4.478 20 5 DIBDRO CC[N@@H+]1CC[C@@H](Oc2cccc3ccc4c(C)cc(C)nc4c32)C1 ZINC001234913404 1054619403 /nfs/dbraw/zinc/61/94/03/1054619403.db2.gz OAYWXJMCBHSZLH-QGZVFWFLSA-N 1 0 320.436 4.478 20 5 DIBDRO [NH3+][C@]12C[C@H]1CN(Cc1ccc3ccc4cccc5ccc1c3c45)C2 ZINC001235146057 1054667012 /nfs/dbraw/zinc/66/70/12/1054667012.db2.gz GVSHFWCONOAQQF-AVRDEDQJSA-N 1 0 312.416 4.117 20 5 DIBDRO CN(Cc1c2ccccc2cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001235347609 1054707479 /nfs/dbraw/zinc/70/74/79/1054707479.db2.gz RKLAJRBLFYWVJP-GOSISDBHSA-N 1 0 304.437 4.177 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090918677 1054739364 /nfs/dbraw/zinc/73/93/64/1054739364.db2.gz NIIZEYBHDKIYBT-ACJLOTCBSA-N 1 0 314.385 4.405 20 5 DIBDRO CN(Cc1c2ccccc2cc2ccccc21)C[C@@H]1CCC[NH2+]1 ZINC001235962671 1054872205 /nfs/dbraw/zinc/87/22/05/1054872205.db2.gz OBOVNTFLDDJOLD-SFHVURJKSA-N 1 0 304.437 4.177 20 5 DIBDRO [NH3+][C@@H]1CCN(Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001236171453 1054979255 /nfs/dbraw/zinc/97/92/55/1054979255.db2.gz ARNXJTNLUPAZMB-OAHLLOKOSA-N 1 0 316.404 4.224 20 5 DIBDRO c1cnc2c(c1)ccc1cc(-c3cccc4c3CC[NH2+]C4)cnc12 ZINC001236351709 1055070718 /nfs/dbraw/zinc/07/07/18/1055070718.db2.gz DPYLNHZXACBHFO-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000765435004 1055389003 /nfs/dbraw/zinc/38/90/03/1055389003.db2.gz ABKUXJAHXIUMGP-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCSCC(C)C ZINC001620863501 1055491715 /nfs/dbraw/zinc/49/17/15/1055491715.db2.gz RSFIEXPKTOZCRH-GDNBJRDFSA-N 1 0 322.474 4.367 20 5 DIBDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001620870866 1055497605 /nfs/dbraw/zinc/49/76/05/1055497605.db2.gz AKWRIXILMJEJFE-CYBMUJFWSA-N 1 0 302.374 4.379 20 5 DIBDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001620870867 1055498191 /nfs/dbraw/zinc/49/81/91/1055498191.db2.gz AKWRIXILMJEJFE-ZDUSSCGKSA-N 1 0 302.374 4.379 20 5 DIBDRO CCC(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001620901231 1055527001 /nfs/dbraw/zinc/52/70/01/1055527001.db2.gz REHUPDYWKPALIW-UHFFFAOYSA-N 1 0 302.374 4.381 20 5 DIBDRO CCC[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001620920238 1055541709 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20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001612627812 1056312580 /nfs/dbraw/zinc/31/25/80/1056312580.db2.gz BAYYXRPORKQNGK-CYBMUJFWSA-N 1 0 323.824 4.067 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC001615195746 1056474730 /nfs/dbraw/zinc/47/47/30/1056474730.db2.gz VICWBYGBTGYLNJ-IBGZPJMESA-N 1 0 324.424 4.235 20 5 DIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001615204176 1056476458 /nfs/dbraw/zinc/47/64/58/1056476458.db2.gz JMRZMFRTGUFGDU-KRWDZBQOSA-N 1 0 314.360 4.379 20 5 DIBDRO CC(C)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001615309479 1056492758 /nfs/dbraw/zinc/49/27/58/1056492758.db2.gz YSEKKLLGWVUUQG-UHFFFAOYSA-N 1 0 320.433 4.264 20 5 DIBDRO c1ccc2c(c1)c1ccccc1c1nc(C3=CC[NH2+]CC3)cnc21 ZINC001240464873 1056524698 /nfs/dbraw/zinc/52/46/98/1056524698.db2.gz AGFOCFZVGVVMMN-UHFFFAOYSA-N 1 0 311.388 4.313 20 5 DIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001615584020 1056543228 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4.213 20 5 DIBDRO CCCCC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001616646839 1056694299 /nfs/dbraw/zinc/69/42/99/1056694299.db2.gz UBLWXGIUODPDHC-DLBZAZTESA-N 1 0 322.449 4.213 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001616683898 1056700325 /nfs/dbraw/zinc/70/03/25/1056700325.db2.gz NMHFFCGOHJPLIF-MRXNPFEDSA-N 1 0 320.433 4.394 20 5 DIBDRO CC[C@@H]([NH2+]CCOC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001616801298 1056720807 /nfs/dbraw/zinc/72/08/07/1056720807.db2.gz IMNCHXKDGXZKHK-GOSISDBHSA-N 1 0 320.433 4.375 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001617272372 1056804913 /nfs/dbraw/zinc/80/49/13/1056804913.db2.gz AMPFFNJMOIFWDZ-SJLPKXTDSA-N 1 0 304.434 4.332 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001617272371 1056805814 /nfs/dbraw/zinc/80/58/14/1056805814.db2.gz AMPFFNJMOIFWDZ-FUHWJXTLSA-N 1 0 304.434 4.332 20 5 DIBDRO CCC1(CC)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001617309514 1056811960 /nfs/dbraw/zinc/81/19/60/1056811960.db2.gz AZDCLAVFTJLBRE-UHFFFAOYSA-N 1 0 306.406 4.006 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CC1)C1CCCCC1 ZINC000078459055 1056840155 /nfs/dbraw/zinc/84/01/55/1056840155.db2.gz BJLYSFXYACZZAO-UHFFFAOYSA-N 1 0 318.417 4.148 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001617766500 1056878756 /nfs/dbraw/zinc/87/87/56/1056878756.db2.gz SSUDQWWRSHDFMS-QWFCFKBJSA-N 1 0 322.408 4.363 20 5 DIBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001617918879 1056901454 /nfs/dbraw/zinc/90/14/54/1056901454.db2.gz UAVBAZVIYTYAKF-LSDHHAIUSA-N 1 0 320.433 4.393 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCCC12CCCC2 ZINC001618114112 1056923896 /nfs/dbraw/zinc/92/38/96/1056923896.db2.gz HVWYKZUGNKRKEA-INIZCTEOSA-N 1 0 306.381 4.327 20 5 DIBDRO CCOc1cc(C[NH+]2CCC3(CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001618122125 1056925972 /nfs/dbraw/zinc/92/59/72/1056925972.db2.gz HSKWEPQRWGHNMZ-UHFFFAOYSA-N 1 0 318.417 4.150 20 5 DIBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001618196465 1056933200 /nfs/dbraw/zinc/93/32/00/1056933200.db2.gz NNYCFJUQIUSOGW-KRWDZBQOSA-N 1 0 320.433 4.015 20 5 DIBDRO Cc1cc(N(C)C)ncc1-c1ncnc2cc3ccccc3cc21 ZINC001241240065 1056975580 /nfs/dbraw/zinc/97/55/80/1056975580.db2.gz IETKUZOULRBERF-UHFFFAOYSA-N 1 0 314.392 4.219 20 5 DIBDRO Cc1c(C[NH2+]C2CCC(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000318071223 1057014101 /nfs/dbraw/zinc/01/41/01/1057014101.db2.gz QWXRCAXNYOEPSP-UHFFFAOYSA-N 1 0 316.323 4.114 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3sc(Cl)cc32)c1 ZINC000123411393 1057022896 /nfs/dbraw/zinc/02/28/96/1057022896.db2.gz NJRWGQQCQMIHPT-LBPRGKRZSA-N 1 0 308.790 4.087 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)c1 ZINC000123411180 1057023126 /nfs/dbraw/zinc/02/31/26/1057023126.db2.gz NJRWGQQCQMIHPT-GFCCVEGCSA-N 1 0 308.790 4.087 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2[nH]ccc21)C1CC1 ZINC000154324042 1057028678 /nfs/dbraw/zinc/02/86/78/1057028678.db2.gz AHKXTDQNYFTTHK-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2-c1cc(C2C[NH2+]C2)ncn1 ZINC001241379229 1057031457 /nfs/dbraw/zinc/03/14/57/1057031457.db2.gz CDPROAFUZAWRAV-UHFFFAOYSA-N 1 0 311.388 4.137 20 5 DIBDRO Cc1cccc([C@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000093445001 1057038412 /nfs/dbraw/zinc/03/84/12/1057038412.db2.gz ABJFZORHVWUKCG-NTPDMAOXSA-N 1 0 323.396 4.149 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000391101014 1057054337 /nfs/dbraw/zinc/05/43/37/1057054337.db2.gz PLTLPKKEQXAEKH-AWEZNQCLSA-N 1 0 310.397 4.243 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCc2cccnc21 ZINC000922880449 1057073346 /nfs/dbraw/zinc/07/33/46/1057073346.db2.gz CDKMTKWPVIJPQQ-BJRSVTDJSA-N 1 0 323.396 4.060 20 5 DIBDRO Cc1csc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000162356372 1057127529 /nfs/dbraw/zinc/12/75/29/1057127529.db2.gz UQONUJAGIUNMFQ-RYUDHWBXSA-N 1 0 305.403 4.080 20 5 DIBDRO C[C@@H](NCc1ncc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000173393713 1057300380 /nfs/dbraw/zinc/30/03/80/1057300380.db2.gz KCQCEARFPMNFNK-CYBMUJFWSA-N 1 0 323.352 4.101 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000800275255 1057528525 /nfs/dbraw/zinc/52/85/25/1057528525.db2.gz YFYZDJNWFPYQOA-SNVBAGLBSA-N 1 0 318.751 4.163 20 5 DIBDRO Cc1ccc(C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000611254252 1057585921 /nfs/dbraw/zinc/58/59/21/1057585921.db2.gz GFIGFYOCGHULJD-XQRVVYSFSA-N 1 0 312.369 4.174 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000611271254 1057587242 /nfs/dbraw/zinc/58/72/42/1057587242.db2.gz BSLUZBOTDGADBS-HNNXBMFYSA-N 1 0 314.385 4.301 20 5 DIBDRO CC[NH+](CC)Cc1ccccc1CNc1sccc1[N+](=O)[O-] ZINC000611289986 1057589881 /nfs/dbraw/zinc/58/98/81/1057589881.db2.gz NZNMOUBYIXOQDH-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO CCC[C@H]([NH2+]C1CCC(O)(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611327743 1057591290 /nfs/dbraw/zinc/59/12/90/1057591290.db2.gz RYHCQLYZEWOJKU-NXYGQSRBSA-N 1 0 320.433 4.109 20 5 DIBDRO COc1ccc(C)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000611335521 1057591568 /nfs/dbraw/zinc/59/15/68/1057591568.db2.gz MNEDACDCMOHXDP-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CC(C)C([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000611434091 1057598919 /nfs/dbraw/zinc/59/89/19/1057598919.db2.gz MRLYFJIERXNBBC-UHFFFAOYSA-N 1 0 317.389 4.020 20 5 DIBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000611433770 1057599615 /nfs/dbraw/zinc/59/96/15/1057599615.db2.gz SJWBVKSLQKRMMJ-AWEZNQCLSA-N 1 0 317.389 4.185 20 5 DIBDRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000611470545 1057601993 /nfs/dbraw/zinc/60/19/93/1057601993.db2.gz RBNZPMSXWHDYCB-CYBMUJFWSA-N 1 0 314.360 4.464 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000611475766 1057603162 /nfs/dbraw/zinc/60/31/62/1057603162.db2.gz GVUPPMPAOQHWAD-CFVMTHIKSA-N 1 0 324.371 4.083 20 5 DIBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[NH+]3CCCCCCC3)c2c1 ZINC000732412346 1057775258 /nfs/dbraw/zinc/77/52/58/1057775258.db2.gz JMWRAJOWKKTZHV-UHFFFAOYSA-N 1 0 321.402 4.096 20 5 DIBDRO CC[NH+](CC)[C@H](CNc1sccc1[N+](=O)[O-])c1ccccc1 ZINC001559048130 1058946085 /nfs/dbraw/zinc/94/60/85/1058946085.db2.gz SGILOKGENYHWDI-OAHLLOKOSA-N 1 0 319.430 4.151 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001559545982 1059347891 /nfs/dbraw/zinc/34/78/91/1059347891.db2.gz KXBSBFOPLPYMOU-INIZCTEOSA-N 1 0 320.433 4.252 20 5 DIBDRO CC[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001559563281 1059385065 /nfs/dbraw/zinc/38/50/65/1059385065.db2.gz SLHJICWINVPFKE-GOSISDBHSA-N 1 0 320.433 4.394 20 5 DIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001559569807 1059403179 /nfs/dbraw/zinc/40/31/79/1059403179.db2.gz HNUHVUQRVOXXDP-GOSISDBHSA-N 1 0 312.413 4.356 20 5 DIBDRO CC[C@@H](C)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001559580576 1059415416 /nfs/dbraw/zinc/41/54/16/1059415416.db2.gz ZKWPYQOIERMRMV-LLVKDONJSA-N 1 0 318.339 4.482 20 5 DIBDRO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001559583603 1059415429 /nfs/dbraw/zinc/41/54/29/1059415429.db2.gz LMUNQQBPQWILCS-NSHDSACASA-N 1 0 324.833 4.373 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](CC[C@H]2CCCC2(F)F)C2CC2)c1 ZINC001559607548 1059440948 /nfs/dbraw/zinc/44/09/48/1059440948.db2.gz POIBDCBXQSBWQN-CQSZACIVSA-N 1 0 324.371 4.385 20 5 DIBDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC001559632543 1059460611 /nfs/dbraw/zinc/46/06/11/1059460611.db2.gz JZWODIFXRJDVGH-IAGOWNOFSA-N 1 0 320.433 4.010 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001559644901 1059469848 /nfs/dbraw/zinc/46/98/48/1059469848.db2.gz PANYNHKUJIZQGQ-GDBMZVCRSA-N 1 0 308.397 4.428 20 5 DIBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001559650536 1059478766 /nfs/dbraw/zinc/47/87/66/1059478766.db2.gz HMMAVPVOCFEXKT-AWEZNQCLSA-N 1 0 324.396 4.287 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](C)C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001559736907 1059570301 /nfs/dbraw/zinc/57/03/01/1059570301.db2.gz DRUZDJSOKLCQAH-AWEZNQCLSA-N 1 0 320.433 4.442 20 5 DIBDRO c1ccc2c(c1)cc(-c1noc([C@@H]3CC[NH2+]3)n1)c1ccccc21 ZINC001247677040 1059590456 /nfs/dbraw/zinc/59/04/56/1059590456.db2.gz QZMCURXXCOIYOI-KRWDZBQOSA-N 1 0 301.349 4.077 20 5 DIBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC001559858618 1059680856 /nfs/dbraw/zinc/68/08/56/1059680856.db2.gz FJCGNSJGVNQOPI-KRWDZBQOSA-N 1 0 318.417 4.066 20 5 DIBDRO CC(C)([NH2+]C[C@H]1CC2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001559869140 1059688793 /nfs/dbraw/zinc/68/87/93/1059688793.db2.gz LCXCPIKWBYMRLS-YMAMQOFZSA-N 1 0 302.418 4.246 20 5 DIBDRO CCc1ccc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC001559871113 1059689013 /nfs/dbraw/zinc/68/90/13/1059689013.db2.gz PGOQTIQIZWTUEN-IBGZPJMESA-N 1 0 324.424 4.455 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001559911058 1059723625 /nfs/dbraw/zinc/72/36/25/1059723625.db2.gz DNECCBKKZADNDL-DZKIICNBSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCc3ccccc3C2(C)C)cc1[N+](=O)[O-] ZINC001559933579 1059743414 /nfs/dbraw/zinc/74/34/14/1059743414.db2.gz YYYMSNHZTFONPB-UHFFFAOYSA-N 1 0 310.397 4.197 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC001560017165 1059825089 /nfs/dbraw/zinc/82/50/89/1059825089.db2.gz AQZQPOAGKZPFFR-INIZCTEOSA-N 1 0 318.417 4.148 20 5 DIBDRO Cc1ccc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC001560029421 1059840684 /nfs/dbraw/zinc/84/06/84/1059840684.db2.gz RWCTVMYTLLZQNM-LJQANCHMSA-N 1 0 310.397 4.318 20 5 DIBDRO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001560065821 1059876208 /nfs/dbraw/zinc/87/62/08/1059876208.db2.gz YVYDXYUSINFJEH-QRVBRYPASA-N 1 0 322.408 4.139 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cs1 ZINC001560065162 1059876466 /nfs/dbraw/zinc/87/64/66/1059876466.db2.gz FNTTXKSKKFVQLY-HUUCEWRRSA-N 1 0 302.399 4.082 20 5 DIBDRO CC(C)CC[C@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001560313930 1060102354 /nfs/dbraw/zinc/10/23/54/1060102354.db2.gz BQTKLGOGFYKUBN-HOTGVXAUSA-N 1 0 320.433 4.168 20 5 DIBDRO CC(C)CC[C@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001560313932 1060102454 /nfs/dbraw/zinc/10/24/54/1060102454.db2.gz BQTKLGOGFYKUBN-JKSUJKDBSA-N 1 0 320.433 4.168 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C(C3CC3)C3CC3)o2)cc1 ZINC001560324615 1060112327 /nfs/dbraw/zinc/11/23/27/1060112327.db2.gz XIEYMKLTJYWSTD-UHFFFAOYSA-N 1 0 312.369 4.133 20 5 DIBDRO CC(C)[C@H](O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001560339820 1060125757 /nfs/dbraw/zinc/12/57/57/1060125757.db2.gz GFBVFDQPJWVWCU-OAQYLSRUSA-N 1 0 307.437 4.490 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccsc2Cl)cc1 ZINC001560362194 1060148365 /nfs/dbraw/zinc/14/83/65/1060148365.db2.gz ZCBAUTJMBDPCSY-UHFFFAOYSA-N 1 0 324.833 4.422 20 5 DIBDRO C[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC001560426422 1060211581 /nfs/dbraw/zinc/21/15/81/1060211581.db2.gz ICZPVFNOOPSAEE-OAHLLOKOSA-N 1 0 304.434 4.333 20 5 DIBDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC001560458201 1060249561 /nfs/dbraw/zinc/24/95/61/1060249561.db2.gz GHCRDUPGYJQVDM-RDJZCZTQSA-N 1 0 304.434 4.332 20 5 DIBDRO CC(C)C[C@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC001560458202 1060250799 /nfs/dbraw/zinc/25/07/99/1060250799.db2.gz GHCRDUPGYJQVDM-WBVHZDCISA-N 1 0 304.434 4.332 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C2CCC2)CCC1 ZINC001560494930 1060290625 /nfs/dbraw/zinc/29/06/25/1060290625.db2.gz DQVWSROLMBGPQF-UHFFFAOYSA-N 1 0 318.417 4.054 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC2CCC(F)CC2)cc1[N+](=O)[O-] ZINC001560521398 1060319494 /nfs/dbraw/zinc/31/94/94/1060319494.db2.gz DHAJSLNRGBKYBV-UHFFFAOYSA-N 1 0 308.397 4.336 20 5 DIBDRO CCc1cccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC001560521714 1060320274 /nfs/dbraw/zinc/32/02/74/1060320274.db2.gz MWELPDUHFLXWIM-XNTDXEJSSA-N 1 0 310.397 4.350 20 5 DIBDRO C[C@@H](C[NH2+]Cc1cscc1Cl)c1ccccc1[N+](=O)[O-] ZINC001560604364 1060416952 /nfs/dbraw/zinc/41/69/52/1060416952.db2.gz URQMMHIRKNSSBW-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO C[C@H](C[NH2+]Cc1cccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC001560604301 1060417937 /nfs/dbraw/zinc/41/79/37/1060417937.db2.gz RHZRHFKKPMEDHM-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CCC1CCCCC1 ZINC001560711414 1060566703 /nfs/dbraw/zinc/56/67/03/1060566703.db2.gz KMYCQGGASCKVGA-UHFFFAOYSA-N 1 0 310.825 4.351 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccccc1 ZINC001560736184 1060603655 /nfs/dbraw/zinc/60/36/55/1060603655.db2.gz NMBPFGAAODFAOP-JKSUJKDBSA-N 1 0 312.413 4.309 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2ncccc12)c1ccc([N+](=O)[O-])cc1 ZINC001560739208 1060608136 /nfs/dbraw/zinc/60/81/36/1060608136.db2.gz COVCXFMDUMSCEF-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO CC[C@H]1CCC[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001560825072 1060685154 /nfs/dbraw/zinc/68/51/54/1060685154.db2.gz AJRCKQSHLDLMPK-HOTGVXAUSA-N 1 0 304.434 4.286 20 5 DIBDRO CN1CC[NH+](CCCc2c3ccccc3cc3ccccc32)CC1 ZINC001250229688 1060707705 /nfs/dbraw/zinc/70/77/05/1060707705.db2.gz ZSXGAZPPADROLH-UHFFFAOYSA-N 1 0 318.464 4.173 20 5 DIBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001560878707 1060739149 /nfs/dbraw/zinc/73/91/49/1060739149.db2.gz CMNRHZQZFIATAW-NOZJJQNGSA-N 1 0 317.216 4.426 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C2CCC2)C2CCCCC2)cc1 ZINC001560901565 1060764600 /nfs/dbraw/zinc/76/46/00/1060764600.db2.gz WPJWNFIGAXEZLP-LJQANCHMSA-N 1 0 316.445 4.476 20 5 DIBDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001560995346 1060856234 /nfs/dbraw/zinc/85/62/34/1060856234.db2.gz JOEMSAURWNDMSB-ZIAGYGMSSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001561004727 1060863078 /nfs/dbraw/zinc/86/30/78/1060863078.db2.gz TVXPRLQMPBHFHE-WQVCFCJDSA-N 1 0 320.433 4.228 20 5 DIBDRO C[C@@H]([NH2+]CCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001561004842 1060864074 /nfs/dbraw/zinc/86/40/74/1060864074.db2.gz XHSJNJRSZZDALW-GFCCVEGCSA-N 1 0 320.339 4.156 20 5 DIBDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001473213484 1060987633 /nfs/dbraw/zinc/98/76/33/1060987633.db2.gz KTIFEBBYJWTKNC-NSHDSACASA-N 1 0 324.833 4.373 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12CCC2 ZINC001473310891 1061074147 /nfs/dbraw/zinc/07/41/47/1061074147.db2.gz CFWSUFUUOPYEGU-LBPRGKRZSA-N 1 0 308.809 4.260 20 5 DIBDRO CC(C)([NH2+]CCc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001462286462 1061078872 /nfs/dbraw/zinc/07/88/72/1061078872.db2.gz XMXOAPGTMGYDCI-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001473322486 1061084712 /nfs/dbraw/zinc/08/47/12/1061084712.db2.gz RSWWATZKTUVFTK-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO CCCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC001473367226 1061116387 /nfs/dbraw/zinc/11/63/87/1061116387.db2.gz PKMOVDVAINFIML-INIZCTEOSA-N 1 0 306.406 4.052 20 5 DIBDRO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC001473378382 1061121449 /nfs/dbraw/zinc/12/14/49/1061121449.db2.gz DCLYNYZIKYZKPV-NTCAYCPXSA-N 1 0 310.397 4.439 20 5 DIBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473411411 1061146547 /nfs/dbraw/zinc/14/65/47/1061146547.db2.gz ZFFRVFJDWODLMX-CJNGLKHVSA-N 1 0 306.406 4.002 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1F ZINC001473416564 1061148169 /nfs/dbraw/zinc/14/81/69/1061148169.db2.gz QGJCESTXSDXIJL-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO CC[C@@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001462416645 1061160751 /nfs/dbraw/zinc/16/07/51/1061160751.db2.gz RYJWPQRJDVPFHJ-SECBINFHSA-N 1 0 305.205 4.427 20 5 DIBDRO Cc1ccc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC001462418595 1061163189 /nfs/dbraw/zinc/16/31/89/1061163189.db2.gz TVBYIIZFHZFTCD-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC001462442499 1061175419 /nfs/dbraw/zinc/17/54/19/1061175419.db2.gz HOMWOQCOIZRZDW-XWJBARJFSA-N 1 0 314.429 4.084 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001462442246 1061175656 /nfs/dbraw/zinc/17/56/56/1061175656.db2.gz HOMWOQCOIZRZDW-PEZLKRJXSA-N 1 0 314.429 4.084 20 5 DIBDRO CCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC001473472906 1061180233 /nfs/dbraw/zinc/18/02/33/1061180233.db2.gz CQHAILRJEXSOLR-QZTJIDSGSA-N 1 0 320.433 4.155 20 5 DIBDRO CC1(C)CCC[C@@H]1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001462454539 1061183650 /nfs/dbraw/zinc/18/36/50/1061183650.db2.gz GXDJOJKIMPZTON-GFCCVEGCSA-N 1 0 317.389 4.042 20 5 DIBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473492978 1061187173 /nfs/dbraw/zinc/18/71/73/1061187173.db2.gz RHUHQJCHZQSKOR-GOSISDBHSA-N 1 0 320.433 4.264 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2cccc(Cl)c2C1 ZINC001473537937 1061228579 /nfs/dbraw/zinc/22/85/79/1061228579.db2.gz AKLCKIZWNICJRV-GFCCVEGCSA-N 1 0 316.788 4.368 20 5 DIBDRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001462556514 1061258560 /nfs/dbraw/zinc/25/85/60/1061258560.db2.gz UOVHURKLHBOBRJ-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001473576814 1061266805 /nfs/dbraw/zinc/26/68/05/1061266805.db2.gz BQGJNGJNZPSITR-HIFRSBDPSA-N 1 0 320.408 4.382 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001473576812 1061267095 /nfs/dbraw/zinc/26/70/95/1061267095.db2.gz BQGJNGJNZPSITR-DZGCQCFKSA-N 1 0 320.408 4.382 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001473621784 1061295734 /nfs/dbraw/zinc/29/57/34/1061295734.db2.gz QDDGQFYQWVXDJE-HNNXBMFYSA-N 1 0 318.417 4.006 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC001462636445 1061311030 /nfs/dbraw/zinc/31/10/30/1061311030.db2.gz OSHMZQMIOSYYEN-OAHLLOKOSA-N 1 0 320.751 4.164 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c(Cl)c1 ZINC001462644898 1061314823 /nfs/dbraw/zinc/31/48/23/1061314823.db2.gz RALNYITWNRCGSU-JTQLQIEISA-N 1 0 318.751 4.163 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)Cc1cccs1 ZINC001474031838 1061572145 /nfs/dbraw/zinc/57/21/45/1061572145.db2.gz YSCROILVWZKEIG-GFCCVEGCSA-N 1 0 318.442 4.242 20 5 DIBDRO CC[C@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001474032498 1061577431 /nfs/dbraw/zinc/57/74/31/1061577431.db2.gz MKPHLYONLIUIHN-RDJZCZTQSA-N 1 0 304.434 4.476 20 5 DIBDRO Cc1c(C[NH2+]C2(Cc3ccccc3)CCC2)cccc1[N+](=O)[O-] ZINC001474042084 1061589632 /nfs/dbraw/zinc/58/96/32/1061589632.db2.gz AQBZSWAXLGCNOZ-UHFFFAOYSA-N 1 0 310.397 4.158 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCCN1CCC1 ZINC001474099977 1061646153 /nfs/dbraw/zinc/64/61/53/1061646153.db2.gz ROJAFHXLVHPXPI-UHFFFAOYSA-N 1 0 304.437 4.178 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCCCCC1 ZINC001474147348 1061692887 /nfs/dbraw/zinc/69/28/87/1061692887.db2.gz DLHYOZUTIQUSOS-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001474192109 1061741937 /nfs/dbraw/zinc/74/19/37/1061741937.db2.gz KOCPFYRCUZFUFN-HHCQHNAWSA-N 1 0 322.408 4.391 20 5 DIBDRO C[C@H]([NH2+]Cc1c2ccccc2cc2ccccc21)C1(CO)CC1 ZINC001474205560 1061760460 /nfs/dbraw/zinc/76/04/60/1061760460.db2.gz UPXWYKLVVYLGQS-HNNXBMFYSA-N 1 0 305.421 4.244 20 5 DIBDRO Cn1cncc1CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001474223353 1061784094 /nfs/dbraw/zinc/78/40/94/1061784094.db2.gz HWFRLDFJUDGEHM-UHFFFAOYSA-N 1 0 315.420 4.059 20 5 DIBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001474341157 1061939000 /nfs/dbraw/zinc/93/90/00/1061939000.db2.gz MHHWTCBNKVIQIC-SFHVURJKSA-N 1 0 310.397 4.220 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001474405500 1062066289 /nfs/dbraw/zinc/06/62/89/1062066289.db2.gz WVHOJFBTDQWOPX-HOTGVXAUSA-N 1 0 302.418 4.224 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001474405501 1062069260 /nfs/dbraw/zinc/06/92/60/1062069260.db2.gz WVHOJFBTDQWOPX-HZPDHXFCSA-N 1 0 302.418 4.224 20 5 DIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC001459308980 1062077598 /nfs/dbraw/zinc/07/75/98/1062077598.db2.gz CFCFIYFMYNQZMU-MRXNPFEDSA-N 1 0 318.417 4.018 20 5 DIBDRO CCC[N@H+]([C@@H](C)CC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476352 1062122565 /nfs/dbraw/zinc/12/25/65/1062122565.db2.gz OKQHTDISWCUIOV-HNNXBMFYSA-N 1 0 319.449 4.074 20 5 DIBDRO Cc1ccc([C@H](C)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001474469967 1062148310 /nfs/dbraw/zinc/14/83/10/1062148310.db2.gz VKAAVHSNCQRBNY-MRXNPFEDSA-N 1 0 312.413 4.181 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC001459472553 1062157835 /nfs/dbraw/zinc/15/78/35/1062157835.db2.gz ZACINEGQFLSAHY-CHWSQXEVSA-N 1 0 306.406 4.002 20 5 DIBDRO CC(C)(C)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001459483704 1062161248 /nfs/dbraw/zinc/16/12/48/1062161248.db2.gz DAKYMARGWXVWJC-HNNXBMFYSA-N 1 0 320.433 4.122 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(F)F)c1 ZINC001254531232 1062163152 /nfs/dbraw/zinc/16/31/52/1062163152.db2.gz CEWNCGFTXGOVBF-LBPRGKRZSA-N 1 0 320.339 4.253 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001254535408 1062163302 /nfs/dbraw/zinc/16/33/02/1062163302.db2.gz JGDNGJONJATYIT-NEPJUHHUSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2ccccc21 ZINC001254530821 1062164422 /nfs/dbraw/zinc/16/44/22/1062164422.db2.gz BYXHYMDAQXZLSA-KBXCAEBGSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001254535409 1062165561 /nfs/dbraw/zinc/16/55/61/1062165561.db2.gz JGDNGJONJATYIT-RYUDHWBXSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001254533855 1062165624 /nfs/dbraw/zinc/16/56/24/1062165624.db2.gz PMRXTEGRRVVSPE-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC001254540049 1062167884 /nfs/dbraw/zinc/16/78/84/1062167884.db2.gz OTVJLDDYMNNGAL-IYOUNJFTSA-N 1 0 310.397 4.364 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001254540779 1062167904 /nfs/dbraw/zinc/16/79/04/1062167904.db2.gz WIWNFQHETVVLMJ-CYBMUJFWSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])C1CCCCCC1 ZINC001254539889 1062167966 /nfs/dbraw/zinc/16/79/66/1062167966.db2.gz LJMFFKNMGITEKM-CYBMUJFWSA-N 1 0 303.406 4.063 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001254543575 1062169403 /nfs/dbraw/zinc/16/94/03/1062169403.db2.gz TZRYJNVZTJBMPX-HOTGVXAUSA-N 1 0 312.413 4.493 20 5 DIBDRO Cc1cccc(C(C)(C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254546418 1062169593 /nfs/dbraw/zinc/16/95/93/1062169593.db2.gz SNTIUZMMSQWDCX-HNNXBMFYSA-N 1 0 312.413 4.359 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccc2)CCC1 ZINC001254542068 1062169925 /nfs/dbraw/zinc/16/99/25/1062169925.db2.gz LHFBUJHOIIKIRI-HNNXBMFYSA-N 1 0 310.397 4.195 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1c(F)cccc1F ZINC001254542893 1062171032 /nfs/dbraw/zinc/17/10/32/1062171032.db2.gz PRGOEDOJVSGRCC-RYUDHWBXSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1ccc(F)cc1 ZINC001254548239 1062173226 /nfs/dbraw/zinc/17/32/26/1062173226.db2.gz LXJVTRDHULPVQL-CYBMUJFWSA-N 1 0 316.376 4.190 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC001254548348 1062173530 /nfs/dbraw/zinc/17/35/30/1062173530.db2.gz HLFSHYSVSFDYDQ-KBPBESRZSA-N 1 0 316.376 4.324 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CC(F)(F)F ZINC001254548806 1062173624 /nfs/dbraw/zinc/17/36/24/1062173624.db2.gz MIMNITPXQLFKRL-NSHDSACASA-N 1 0 318.339 4.094 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001254550300 1062173947 /nfs/dbraw/zinc/17/39/47/1062173947.db2.gz HKFXDTUENJELLF-QAPCUYQASA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@H]([NH3+])c1cn([C@@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254550830 1062173985 /nfs/dbraw/zinc/17/39/85/1062173985.db2.gz RUOYGYJNMKLFAF-KBPBESRZSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccccc2)CC1 ZINC001254551787 1062174281 /nfs/dbraw/zinc/17/42/81/1062174281.db2.gz FTJORZXHPIULFK-INIZCTEOSA-N 1 0 324.424 4.405 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2[C@H]1C ZINC001254550824 1062174318 /nfs/dbraw/zinc/17/43/18/1062174318.db2.gz RSJTZKRDIJEMSY-HUUCEWRRSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(Cl)c1 ZINC001254558432 1062177335 /nfs/dbraw/zinc/17/73/35/1062177335.db2.gz AIOWBMITRORTQI-ZDUSSCGKSA-N 1 0 318.804 4.311 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccccc2)CC1 ZINC001254559166 1062179590 /nfs/dbraw/zinc/17/95/90/1062179590.db2.gz JBZNBARVKYKYDU-MRXNPFEDSA-N 1 0 322.408 4.315 20 5 DIBDRO Cc1cccc(CC[N@@H+](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254559875 1062180097 /nfs/dbraw/zinc/18/00/97/1062180097.db2.gz ODGKCFLJJOMYNL-INIZCTEOSA-N 1 0 312.413 4.009 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCc2ccccc21 ZINC001254571456 1062186124 /nfs/dbraw/zinc/18/61/24/1062186124.db2.gz VZCIHYUWXYDKRQ-LIRRHRJNSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCc2ccccc21 ZINC001254571455 1062187306 /nfs/dbraw/zinc/18/73/06/1062187306.db2.gz VZCIHYUWXYDKRQ-KUHUBIRLSA-N 1 0 310.397 4.145 20 5 DIBDRO CC(C)=CCC/C(C)=C/C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576580 1062187518 /nfs/dbraw/zinc/18/75/18/1062187518.db2.gz YBFGNJMTBIZAFT-DWCFMXGVSA-N 1 0 314.429 4.344 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C2 ZINC001254579894 1062189163 /nfs/dbraw/zinc/18/91/63/1062189163.db2.gz WUMWDKPNAYYKTC-QUCCMNQESA-N 1 0 322.408 4.193 20 5 DIBDRO CCC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC(F)(F)CC1 ZINC001254587256 1062189389 /nfs/dbraw/zinc/18/93/89/1062189389.db2.gz OHCVIDIXWMMDKD-CQSZACIVSA-N 1 0 324.371 4.010 20 5 DIBDRO CC(C)(C)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584587 1062189880 /nfs/dbraw/zinc/18/98/80/1062189880.db2.gz SLVLWCQRQYEKPB-HKUYNNGSSA-N 1 0 324.424 4.439 20 5 DIBDRO Cc1cccc(C2([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCC2)c1 ZINC001254585812 1062189968 /nfs/dbraw/zinc/18/99/68/1062189968.db2.gz GPDBZHCBVKLEIT-GOSISDBHSA-N 1 0 322.408 4.039 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1csc3ccccc13)C2 ZINC001254581118 1062190143 /nfs/dbraw/zinc/19/01/43/1062190143.db2.gz KOBGNJXEFHIKHD-OAHLLOKOSA-N 1 0 324.405 4.067 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCC1CCCCC1)C2 ZINC001254582718 1062190158 /nfs/dbraw/zinc/19/01/58/1062190158.db2.gz WBCKRSDHNLTPTL-KRWDZBQOSA-N 1 0 302.418 4.012 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3sccc31)C2 ZINC001254578205 1062190383 /nfs/dbraw/zinc/19/03/83/1062190383.db2.gz BNTZOVNZUMZQFD-HNNXBMFYSA-N 1 0 324.405 4.067 20 5 DIBDRO Cc1cccc([C@H]2CCC[N@@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254600170 1062196365 /nfs/dbraw/zinc/19/63/65/1062196365.db2.gz QHOJVAMTPITOAE-VQTJNVASSA-N 1 0 322.408 4.208 20 5 DIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595718 1062196510 /nfs/dbraw/zinc/19/65/10/1062196510.db2.gz YRVUYKXPTMESOS-QUCCMNQESA-N 1 0 322.408 4.208 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC001474560185 1062265792 /nfs/dbraw/zinc/26/57/92/1062265792.db2.gz HPMSKMAKQJFKTP-GQPJMJRUSA-N 1 0 300.402 4.119 20 5 DIBDRO CCC1(CC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001459648668 1062275109 /nfs/dbraw/zinc/27/51/09/1062275109.db2.gz KXEGIERRODJXEI-UHFFFAOYSA-N 1 0 320.433 4.394 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC2(CC=CC2)[C@@H]1C(C)C ZINC001474609148 1062320550 /nfs/dbraw/zinc/32/05/50/1062320550.db2.gz BMGWKTRXZJSOMC-SFHVURJKSA-N 1 0 314.429 4.388 20 5 DIBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)s1 ZINC001459823557 1062427775 /nfs/dbraw/zinc/42/77/75/1062427775.db2.gz ACXGDKWSUPGHSX-GFCCVEGCSA-N 1 0 304.415 4.432 20 5 DIBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC001459877472 1062465480 /nfs/dbraw/zinc/46/54/80/1062465480.db2.gz MQMLSXCGEKIHCQ-ZDUSSCGKSA-N 1 0 316.376 4.190 20 5 DIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459904749 1062486907 /nfs/dbraw/zinc/48/69/07/1062486907.db2.gz NZFJKFKICBCZJG-IUODEOHRSA-N 1 0 324.396 4.191 20 5 DIBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001459908872 1062490161 /nfs/dbraw/zinc/49/01/61/1062490161.db2.gz XMXMFPULJHPBOX-KRWDZBQOSA-N 1 0 316.426 4.254 20 5 DIBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459981932 1062544922 /nfs/dbraw/zinc/54/49/22/1062544922.db2.gz CQJBHOGFYYORGW-DOMZBBRYSA-N 1 0 324.396 4.191 20 5 DIBDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001460075045 1062618387 /nfs/dbraw/zinc/61/83/87/1062618387.db2.gz MNYBZKGAZHHRMF-KBRIMQKVSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001460159495 1062670034 /nfs/dbraw/zinc/67/00/34/1062670034.db2.gz GJUIXRVNPKTYSZ-QINHECLXSA-N 1 0 324.424 4.404 20 5 DIBDRO CC1(C2CC2)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001460178078 1062682293 /nfs/dbraw/zinc/68/22/93/1062682293.db2.gz TXPPHUSZYXLYBQ-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001460263527 1062738336 /nfs/dbraw/zinc/73/83/36/1062738336.db2.gz IKSLFXGDGHWJKU-HOCLYGCPSA-N 1 0 308.397 4.381 20 5 DIBDRO Cc1ccc(CC(C)(C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001460265675 1062741897 /nfs/dbraw/zinc/74/18/97/1062741897.db2.gz PCZCDZFMFNTRGL-UHFFFAOYSA-N 1 0 312.413 4.323 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)c(Cl)c1 ZINC001460342806 1062793861 /nfs/dbraw/zinc/79/38/61/1062793861.db2.gz MEKWENCMGVNAQG-INIZCTEOSA-N 1 0 308.809 4.403 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCC(CC)(CC)C2)ccc1[N+](=O)[O-] ZINC001460420045 1062849324 /nfs/dbraw/zinc/84/93/24/1062849324.db2.gz YIWKPBAMJQPMDY-UHFFFAOYSA-N 1 0 320.433 4.396 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC001460490120 1062881972 /nfs/dbraw/zinc/88/19/72/1062881972.db2.gz ZBVJXWGCQXPGIK-AWEZNQCLSA-N 1 0 306.381 4.279 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@]2(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001460683103 1062982226 /nfs/dbraw/zinc/98/22/26/1062982226.db2.gz GERFVBHIOCBZFN-GOSISDBHSA-N 1 0 302.418 4.448 20 5 DIBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001472762516 1063215681 /nfs/dbraw/zinc/21/56/81/1063215681.db2.gz MLLFHVLSCVFXLZ-UHFFFAOYSA-N 1 0 323.412 4.191 20 5 DIBDRO Cc1cccc(C(C)(C)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001461117841 1063267079 /nfs/dbraw/zinc/26/70/79/1063267079.db2.gz AKVHKXUHXMNSHU-UHFFFAOYSA-N 1 0 312.413 4.279 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC001461165164 1063301734 /nfs/dbraw/zinc/30/17/34/1063301734.db2.gz FDZZMZAPPLOREK-GDBMZVCRSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC001461253120 1063366298 /nfs/dbraw/zinc/36/62/98/1063366298.db2.gz DYTBHOZVSWSMDI-SNVBAGLBSA-N 1 0 324.302 4.171 20 5 DIBDRO CC(C)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001461266451 1063378275 /nfs/dbraw/zinc/37/82/75/1063378275.db2.gz RGVSWHMMSVSSOU-UHFFFAOYSA-N 1 0 314.385 4.381 20 5 DIBDRO CCOc1cc(C[N@H+](CC)CC(CC)CC)ccc1[N+](=O)[O-] ZINC001473104681 1063403346 /nfs/dbraw/zinc/40/33/46/1063403346.db2.gz XDSHDISNOKYJIG-UHFFFAOYSA-N 1 0 308.422 4.252 20 5 DIBDRO CC1CCC([N@H+](CCOc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC001473111966 1063413045 /nfs/dbraw/zinc/41/30/45/1063413045.db2.gz LECQCDOOOUFWHO-UHFFFAOYSA-N 1 0 318.417 4.017 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001473165434 1063469501 /nfs/dbraw/zinc/46/95/01/1063469501.db2.gz ALQJYPOLOWLYMP-OAHLLOKOSA-N 1 0 320.433 4.252 20 5 DIBDRO Cc1c(C[NH2+]CC2CC(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001461457644 1063518442 /nfs/dbraw/zinc/51/84/42/1063518442.db2.gz ZGMFNXOMSMSATN-UHFFFAOYSA-N 1 0 310.397 4.187 20 5 DIBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001461515044 1063547555 /nfs/dbraw/zinc/54/75/55/1063547555.db2.gz LDURAIGBBFCMLY-YWALDVPYSA-N 1 0 302.418 4.414 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(C(C)(C)C)C1 ZINC001461545543 1063571504 /nfs/dbraw/zinc/57/15/04/1063571504.db2.gz ZZUKJNYXBSWNRM-JYRVWZFOSA-N 1 0 302.418 4.412 20 5 DIBDRO Cc1ccc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1C ZINC001461619109 1063616731 /nfs/dbraw/zinc/61/67/31/1063616731.db2.gz DNCSCCKYDIUAHH-UHFFFAOYSA-N 1 0 312.413 4.161 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C=CCC3)s2)cc1 ZINC001461618830 1063617606 /nfs/dbraw/zinc/61/76/06/1063617606.db2.gz QOHHLJLGZQZKOU-CYBMUJFWSA-N 1 0 300.383 4.132 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1C[C@H](C)C[C@@H](C)C1 ZINC001461622100 1063619067 /nfs/dbraw/zinc/61/90/67/1063619067.db2.gz UABOMFRKGKYVAR-CHWSQXEVSA-N 1 0 304.434 4.374 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)s2)cc1 ZINC001461667044 1063646592 /nfs/dbraw/zinc/64/65/92/1063646592.db2.gz JITRFSZXMCTTAZ-SCAQPMJSSA-N 1 0 314.410 4.211 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC001461757737 1063699876 /nfs/dbraw/zinc/69/98/76/1063699876.db2.gz VBFLYZQTVKRKHY-JDZUMMNHSA-N 1 0 300.402 4.168 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC001461759244 1063700662 /nfs/dbraw/zinc/70/06/62/1063700662.db2.gz DOYIXFFPRFLZQN-VNNZXZIOSA-N 1 0 300.402 4.024 20 5 DIBDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001461911458 1063793953 /nfs/dbraw/zinc/79/39/53/1063793953.db2.gz HOBDJYBRVURUIF-LLVKDONJSA-N 1 0 324.833 4.373 20 5 DIBDRO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)C ZINC001461977943 1063854070 /nfs/dbraw/zinc/85/40/70/1063854070.db2.gz VXVUWXUDTOWKRY-UHFFFAOYSA-N 1 0 305.205 4.380 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC001461980231 1063855825 /nfs/dbraw/zinc/85/58/25/1063855825.db2.gz XFKCQZOXLSDWHP-OWQGQXMQSA-N 1 0 302.418 4.304 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC001461980227 1063856286 /nfs/dbraw/zinc/85/62/86/1063856286.db2.gz XFKCQZOXLSDWHP-FDQGKXFDSA-N 1 0 302.418 4.304 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(F)c1 ZINC001462031286 1063891559 /nfs/dbraw/zinc/89/15/59/1063891559.db2.gz NVTCFDUOVJVPQP-NTEUORMPSA-N 1 0 314.360 4.269 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccs1 ZINC001462108927 1063934813 /nfs/dbraw/zinc/93/48/13/1063934813.db2.gz XVKLFRUOIISZAE-OLZOCXBDSA-N 1 0 304.415 4.328 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCC(F)(F)F)C2)cc1 ZINC001262366626 1063965409 /nfs/dbraw/zinc/96/54/09/1063965409.db2.gz OUSBGNOYZGHROQ-ZDUSSCGKSA-N 1 0 316.323 4.117 20 5 DIBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC001306923782 1064719313 /nfs/dbraw/zinc/71/93/13/1064719313.db2.gz HPAFEUQTKZKNTM-KRWDZBQOSA-N 1 0 323.412 4.046 20 5 DIBDRO O=[N+]([O-])c1ccsc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC001306909791 1065201567 /nfs/dbraw/zinc/20/15/67/1065201567.db2.gz JAUSKOVPSXIVPT-UHFFFAOYSA-N 1 0 323.462 4.257 20 5 DIBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001307519006 1065457958 /nfs/dbraw/zinc/45/79/58/1065457958.db2.gz JIUGZKGUZWNBEL-BBRMVZONSA-N 1 0 316.426 4.109 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC001307557562 1065482228 /nfs/dbraw/zinc/48/22/28/1065482228.db2.gz FQPKKAWBKWXLQD-MRXNPFEDSA-N 1 0 320.433 4.394 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001307601348 1065505798 /nfs/dbraw/zinc/50/57/98/1065505798.db2.gz VHYLSAUFMWQBOS-OAHLLOKOSA-N 1 0 306.312 4.114 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2CF)C2CC2)cc1 ZINC001307647448 1065539432 /nfs/dbraw/zinc/53/94/32/1065539432.db2.gz DGXQEBKQHWXBSD-UHFFFAOYSA-N 1 0 314.360 4.229 20 5 DIBDRO Cc1ccc([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001307676147 1065555947 /nfs/dbraw/zinc/55/59/47/1065555947.db2.gz VIDLJTMRUVOXGC-WBVHZDCISA-N 1 0 310.397 4.454 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001307691209 1065565068 /nfs/dbraw/zinc/56/50/68/1065565068.db2.gz QYDXWOKXEWMERR-YJBOKZPZSA-N 1 0 320.433 4.168 20 5 DIBDRO COc1cc(C[NH+]2CCC(C)(C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001307701332 1065572872 /nfs/dbraw/zinc/57/28/72/1065572872.db2.gz UWILHHJCPANOJL-UHFFFAOYSA-N 1 0 324.396 4.001 20 5 DIBDRO CCCC1CCC([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307741902 1065597928 /nfs/dbraw/zinc/59/79/28/1065597928.db2.gz LWQKQOMOYZIHQC-UHFFFAOYSA-N 1 0 304.434 4.428 20 5 DIBDRO CC(C)c1cccc2c1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001307743119 1065598490 /nfs/dbraw/zinc/59/84/90/1065598490.db2.gz ZOYBTSFBEULNLP-UHFFFAOYSA-N 1 0 324.424 4.319 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001307783852 1065619844 /nfs/dbraw/zinc/61/98/44/1065619844.db2.gz OHDBJJNENANYFI-OAHLLOKOSA-N 1 0 314.360 4.114 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]1(C)CC(C)C ZINC001307786762 1065620045 /nfs/dbraw/zinc/62/00/45/1065620045.db2.gz IJMFTWMCIMCXCD-KRWDZBQOSA-N 1 0 306.406 4.004 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001307800780 1065627922 /nfs/dbraw/zinc/62/79/22/1065627922.db2.gz GDKNLTIXWQDOIQ-CLCXKQKWSA-N 1 0 310.397 4.361 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H](C)CCC1(C)C ZINC001307834561 1065645494 /nfs/dbraw/zinc/64/54/94/1065645494.db2.gz MCSJXRLXMREQPT-ZDUSSCGKSA-N 1 0 306.406 4.145 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001307851918 1065651265 /nfs/dbraw/zinc/65/12/65/1065651265.db2.gz GNBRGUXPFMEQHP-ZFWWWQNUSA-N 1 0 308.397 4.381 20 5 DIBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC001307885151 1065666468 /nfs/dbraw/zinc/66/64/68/1065666468.db2.gz XCJLKGXXLKAVLZ-UHFFFAOYSA-N 1 0 304.312 4.234 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCCC3)CC2)cc1F ZINC001307923026 1065684937 /nfs/dbraw/zinc/68/49/37/1065684937.db2.gz FTCMFUQYMSTPBV-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC001307927782 1065687040 /nfs/dbraw/zinc/68/70/40/1065687040.db2.gz TVBYLMVJHRKDCG-MRXNPFEDSA-N 1 0 306.381 4.327 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2CC2CCC2)cc1 ZINC001307951011 1065697171 /nfs/dbraw/zinc/69/71/71/1065697171.db2.gz BXGQEBVYSAKPDI-SFHVURJKSA-N 1 0 302.418 4.182 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)cc1C ZINC001308229441 1065836127 /nfs/dbraw/zinc/83/61/27/1065836127.db2.gz FUELQZQQNSZRCD-FOWTUZBSSA-N 1 0 324.424 4.447 20 5 DIBDRO CCC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001308254501 1065859556 /nfs/dbraw/zinc/85/95/56/1065859556.db2.gz SNTMSLMSDXGWNB-GOSISDBHSA-N 1 0 312.413 4.311 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001308265467 1065866561 /nfs/dbraw/zinc/86/65/61/1065866561.db2.gz DMCWIJRJADEQNO-INIZCTEOSA-N 1 0 310.397 4.031 20 5 DIBDRO CSC(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001308289689 1065887340 /nfs/dbraw/zinc/88/73/40/1065887340.db2.gz VUMOIOBXIMELJY-UHFFFAOYSA-N 1 0 320.414 4.086 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cncc3ccccc32)cc1[N+](=O)[O-] ZINC001308291548 1065888396 /nfs/dbraw/zinc/88/83/96/1065888396.db2.gz VFYOBDQGAUOSLG-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncc3ccccc32)cc1[N+](=O)[O-] ZINC001308291549 1065889020 /nfs/dbraw/zinc/88/90/20/1065889020.db2.gz VFYOBDQGAUOSLG-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccsc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001308296376 1065892811 /nfs/dbraw/zinc/89/28/11/1065892811.db2.gz VSTBDAJSCDBXAK-UHFFFAOYSA-N 1 0 304.415 4.077 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)C1CCCC1 ZINC001308334187 1065922334 /nfs/dbraw/zinc/92/23/34/1065922334.db2.gz VMULAOFXRCRWND-UHFFFAOYSA-N 1 0 320.433 4.300 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001308387617 1065956485 /nfs/dbraw/zinc/95/64/85/1065956485.db2.gz DUHNKGBJBIBBNU-QAQDUYKDSA-N 1 0 310.397 4.247 20 5 DIBDRO Cc1c(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC001308387512 1065957041 /nfs/dbraw/zinc/95/70/41/1065957041.db2.gz CWMDHGJSMGLOCH-SHTZXODSSA-N 1 0 314.360 4.078 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCCCCc2ccccc2)c1 ZINC001308464548 1066005834 /nfs/dbraw/zinc/00/58/34/1066005834.db2.gz DZECIWFFFWAEEE-UHFFFAOYSA-N 1 0 312.413 4.488 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001308471574 1066011133 /nfs/dbraw/zinc/01/11/33/1066011133.db2.gz PWPLDUNEVVIUKS-BMFZPTHFSA-N 1 0 302.418 4.244 20 5 DIBDRO CC(C)(F)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001308484857 1066022115 /nfs/dbraw/zinc/02/21/15/1066022115.db2.gz GVAIOCJWXMYASK-UHFFFAOYSA-N 1 0 308.378 4.161 20 5 DIBDRO Cc1ccc(CCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC001308491264 1066025119 /nfs/dbraw/zinc/02/51/19/1066025119.db2.gz ZMGNHNKKUSETPQ-UHFFFAOYSA-N 1 0 312.413 4.242 20 5 DIBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(C)(C)C ZINC001308579231 1066094784 /nfs/dbraw/zinc/09/47/84/1066094784.db2.gz ZAALYUAKPKKCQS-UHFFFAOYSA-N 1 0 304.312 4.092 20 5 DIBDRO CCc1ccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001308664326 1066144432 /nfs/dbraw/zinc/14/44/32/1066144432.db2.gz XUWGXENZNQHBQF-UHFFFAOYSA-N 1 0 324.424 4.364 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001308671676 1066147944 /nfs/dbraw/zinc/14/79/44/1066147944.db2.gz JASCIRATKWAYLU-UHFFFAOYSA-N 1 0 310.397 4.108 20 5 DIBDRO CC[C@@H]1CCCC[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001308712705 1066193703 /nfs/dbraw/zinc/19/37/03/1066193703.db2.gz QZYBDRYYVWWFFR-SJORKVTESA-N 1 0 304.434 4.286 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001308837053 1066312356 /nfs/dbraw/zinc/31/23/56/1066312356.db2.gz YYQICLQXRPBOPF-ATZDWAIDSA-N 1 0 324.424 4.309 20 5 DIBDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308887966 1066367761 /nfs/dbraw/zinc/36/77/61/1066367761.db2.gz XZPUQMBTRQJKCT-SNVBAGLBSA-N 1 0 316.323 4.282 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC([C@H]2CCC[C@H](C)C2)C1 ZINC001308911065 1066389673 /nfs/dbraw/zinc/38/96/73/1066389673.db2.gz DAEVDCFIUFAKJI-BBRMVZONSA-N 1 0 316.445 4.470 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CNc1ccc2c([nH+]1)CCCC2 ZINC001308928529 1066402520 /nfs/dbraw/zinc/40/25/20/1066402520.db2.gz QNEDCGVAQNKLCE-UHFFFAOYSA-N 1 0 317.776 4.134 20 5 DIBDRO CCCCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001308928871 1066403451 /nfs/dbraw/zinc/40/34/51/1066403451.db2.gz MNYBZKGAZHHRMF-XKQJLSEDSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@@H](C[NH2+]C1CC(C)(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001308959031 1066419506 /nfs/dbraw/zinc/41/95/06/1066419506.db2.gz PNBNVYFFJUQRPF-FVWXCPNNSA-N 1 0 324.424 4.408 20 5 DIBDRO C[C@H](C[NH2+]C1CC(C)(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001308959032 1066419834 /nfs/dbraw/zinc/41/98/34/1066419834.db2.gz PNBNVYFFJUQRPF-XRTORIHISA-N 1 0 324.424 4.408 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000078991756 185142153 /nfs/dbraw/zinc/14/21/53/185142153.db2.gz GGIKNENCVOJRTC-VXGBXAGGSA-N 1 0 318.348 4.154 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000078991742 185142506 /nfs/dbraw/zinc/14/25/06/185142506.db2.gz GGIKNENCVOJRTC-NEPJUHHUSA-N 1 0 318.348 4.154 20 5 DIBDRO COc1ccc(C[NH2+]Cc2cccc(C(C)C)c2)cc1[N+](=O)[O-] ZINC000479397837 541322455 /nfs/dbraw/zinc/32/24/55/541322455.db2.gz XPYJMJRFMPFRSQ-UHFFFAOYSA-N 1 0 314.385 4.017 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c(C)s1 ZINC000094773530 193396306 /nfs/dbraw/zinc/39/63/06/193396306.db2.gz DXQKFOJENUKHIK-JTQLQIEISA-N 1 0 308.378 4.263 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000061360084 184168845 /nfs/dbraw/zinc/16/88/45/184168845.db2.gz LAYKIBYXGOBANN-AWEZNQCLSA-N 1 0 302.399 4.132 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000271526471 129928425 /nfs/dbraw/zinc/92/84/25/129928425.db2.gz PDEXOSHNONVYCM-YSVLISHTSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000275803585 130388818 /nfs/dbraw/zinc/38/88/18/130388818.db2.gz WWUNCCUMGFXTQV-NSHDSACASA-N 1 0 306.312 4.383 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000281795398 130885699 /nfs/dbraw/zinc/88/56/99/130885699.db2.gz UXQKPGZYJUACBO-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]CCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000297441179 132015470 /nfs/dbraw/zinc/01/54/70/132015470.db2.gz WDTDIIDDGLXFRG-NSHDSACASA-N 1 0 316.348 4.080 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000121432251 132156011 /nfs/dbraw/zinc/15/60/11/132156011.db2.gz CHBPMNATQGZWNF-NSHDSACASA-N 1 0 322.311 4.047 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000320519245 335070566 /nfs/dbraw/zinc/07/05/66/335070566.db2.gz OBFLEXLLGVBDLC-MOPGFXCFSA-N 1 0 310.397 4.411 20 5 DIBDRO CC[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000556981663 331761111 /nfs/dbraw/zinc/76/11/11/331761111.db2.gz KHZWRSYFBFDZQK-BASYENTBSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] ZINC000537981333 332932946 /nfs/dbraw/zinc/93/29/46/332932946.db2.gz GXWYQEDNWUVDDH-UKRRQHHQSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000558632575 331930641 /nfs/dbraw/zinc/93/06/41/331930641.db2.gz WQRJKBHHJKKEOC-LBPRGKRZSA-N 1 0 312.360 4.379 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000559146720 331982118 /nfs/dbraw/zinc/98/21/18/331982118.db2.gz BWCGLYDZNLORNW-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000127922187 332009314 /nfs/dbraw/zinc/00/93/14/332009314.db2.gz BBSDOHQPAOFTCR-CYBMUJFWSA-N 1 0 322.817 4.477 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000128203902 332010653 /nfs/dbraw/zinc/01/06/53/332010653.db2.gz QLHGIPJIWZEYDA-LBPRGKRZSA-N 1 0 322.817 4.477 20 5 DIBDRO CCC[C@H]([NH2+]CC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000131171575 332027950 /nfs/dbraw/zinc/02/79/50/332027950.db2.gz YQQGHFWVFBEQCA-INIZCTEOSA-N 1 0 308.447 4.169 20 5 DIBDRO CC[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000409457004 332033907 /nfs/dbraw/zinc/03/39/07/332033907.db2.gz JBZRUTHEWDGGNW-GFCCVEGCSA-N 1 0 318.348 4.414 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(OC)c1 ZINC000518474193 332061264 /nfs/dbraw/zinc/06/12/64/332061264.db2.gz XVESNGJAJAGQMU-AWEZNQCLSA-N 1 0 314.385 4.187 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000091959861 332097205 /nfs/dbraw/zinc/09/72/05/332097205.db2.gz JWZHNOTWRKGOIN-IAQYHMDHSA-N 1 0 300.383 4.092 20 5 DIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000181274589 332189441 /nfs/dbraw/zinc/18/94/41/332189441.db2.gz VUAXVMHUDUQKGX-OWQGQXMQSA-N 1 0 320.433 4.229 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3(F)CCC3)o2)cc1 ZINC000561758274 332492446 /nfs/dbraw/zinc/49/24/46/332492446.db2.gz XFZYSXLASXWCFA-UHFFFAOYSA-N 1 0 318.348 4.227 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000053148081 332961809 /nfs/dbraw/zinc/96/18/09/332961809.db2.gz KKWZGBIBUKOXDW-INIZCTEOSA-N 1 0 304.777 4.489 20 5 DIBDRO COc1ccccc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302173632 332984408 /nfs/dbraw/zinc/98/44/08/332984408.db2.gz MLMJNWHTKNDRBM-UHFFFAOYSA-N 1 0 323.352 4.072 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000391813731 335117462 /nfs/dbraw/zinc/11/74/62/335117462.db2.gz TZFOTMXYRXZFNS-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO CC(C)(NCc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000313941421 333078439 /nfs/dbraw/zinc/07/84/39/333078439.db2.gz XJNKMFHNOWBPNF-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cc1 ZINC000500210933 333232021 /nfs/dbraw/zinc/23/20/21/333232021.db2.gz SMBRCFPFCLEUHF-MRXNPFEDSA-N 1 0 316.426 4.172 20 5 DIBDRO CCC[C@H]([NH2+]CCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000390227216 333250710 /nfs/dbraw/zinc/25/07/10/333250710.db2.gz CYJCDYAYWCNQGE-AWEZNQCLSA-N 1 0 300.349 4.461 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000194920124 333317370 /nfs/dbraw/zinc/31/73/70/333317370.db2.gz ATWSEIGHXCBJCU-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000040444244 333353322 /nfs/dbraw/zinc/35/33/22/333353322.db2.gz TYMHMFUYIBWFIY-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000182815662 333355977 /nfs/dbraw/zinc/35/59/77/333355977.db2.gz UVNSGGIFVOKMMY-LLVKDONJSA-N 1 0 316.323 4.239 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000323536936 333375116 /nfs/dbraw/zinc/37/51/16/333375116.db2.gz YVAKSZORIZQENJ-GOSISDBHSA-N 1 0 310.397 4.461 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000526063104 333384294 /nfs/dbraw/zinc/38/42/94/333384294.db2.gz WHGHYGDXZHBNPF-LBKOFNPBSA-N 1 0 323.396 4.230 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000021810536 333390267 /nfs/dbraw/zinc/39/02/67/333390267.db2.gz GTYKUJOCLZTMSQ-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000390841282 333398664 /nfs/dbraw/zinc/39/86/64/333398664.db2.gz CJEOMDRYJRRURP-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)sc2C)cc1[N+](=O)[O-] ZINC000098124399 333507872 /nfs/dbraw/zinc/50/78/72/333507872.db2.gz GVUQABURFFRGEU-NSHDSACASA-N 1 0 320.414 4.133 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000531724597 333544198 /nfs/dbraw/zinc/54/41/98/333544198.db2.gz ILHNXOIBQGDOMZ-GXTWGEPZSA-N 1 0 318.442 4.494 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000414119551 333906505 /nfs/dbraw/zinc/90/65/05/333906505.db2.gz DDYIXTLUVNSQPO-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO CC[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414514535 334003492 /nfs/dbraw/zinc/00/34/92/334003492.db2.gz IRZQSLFOKUDCTN-HOSRBBHYSA-N 1 0 316.323 4.176 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000571656026 334074947 /nfs/dbraw/zinc/07/49/47/334074947.db2.gz YMDWLYFYAJEJTH-HKUYNNGSSA-N 1 0 308.381 4.323 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CCCC1 ZINC000303298086 334306637 /nfs/dbraw/zinc/30/66/37/334306637.db2.gz YGPCSWPMIYCTMJ-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000049153258 334322275 /nfs/dbraw/zinc/32/22/75/334322275.db2.gz ILVXCWSUEMVRLS-MRXNPFEDSA-N 1 0 304.415 4.330 20 5 DIBDRO CCO[C@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000531983858 334358654 /nfs/dbraw/zinc/35/86/54/334358654.db2.gz CKWRZYJASGLGPX-WMLDXEAASA-N 1 0 308.422 4.005 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[NH+](C(C)C)C(C)C ZINC000531984188 334359043 /nfs/dbraw/zinc/35/90/43/334359043.db2.gz HTSFQCFWUYWJHI-MRXNPFEDSA-N 1 0 321.465 4.063 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCc2sccc21 ZINC000341558891 334452226 /nfs/dbraw/zinc/45/22/26/334452226.db2.gz FKBRLMYLBUEVBS-VOKGJARPSA-N 1 0 314.410 4.337 20 5 DIBDRO CC(C)OCCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417348609 334706302 /nfs/dbraw/zinc/70/63/02/334706302.db2.gz YMRZOJHYUUEVLX-SFHVURJKSA-N 1 0 320.433 4.157 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CC23CC3)c2ccccc2)c1 ZINC000417330096 334709251 /nfs/dbraw/zinc/70/92/51/334709251.db2.gz AGENACRAQYGWAE-AEFFLSMTSA-N 1 0 308.381 4.074 20 5 DIBDRO Cc1cc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000535369348 334721417 /nfs/dbraw/zinc/72/14/17/334721417.db2.gz SIPXPPHBWSSIEN-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO CC[C@H]([NH2+]CCCC(C)(C)COC)c1cccc([N+](=O)[O-])c1 ZINC000348388364 335587290 /nfs/dbraw/zinc/58/72/90/335587290.db2.gz GMGIIAPXXFOJEM-INIZCTEOSA-N 1 0 308.422 4.088 20 5 DIBDRO C[C@H]([NH2+]CCCn1ccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000323828545 335642759 /nfs/dbraw/zinc/64/27/59/335642759.db2.gz HFUANZYPOWKVRW-HNNXBMFYSA-N 1 0 323.396 4.290 20 5 DIBDRO CSCC1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000395322096 336095647 /nfs/dbraw/zinc/09/56/47/336095647.db2.gz BKSWTULGAJPOAG-DNOWBOINSA-N 1 0 308.447 4.167 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CC(C)(C)Cc3occc32)cccc1[N+](=O)[O-] ZINC000331790030 336148530 /nfs/dbraw/zinc/14/85/30/336148530.db2.gz HTWBJKBTBDRHQF-HNNXBMFYSA-N 1 0 314.385 4.300 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000351978400 336185083 /nfs/dbraw/zinc/18/50/83/336185083.db2.gz SAEFBJJEPFYJLW-AWEZNQCLSA-N 1 0 318.398 4.002 20 5 DIBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C)cc1 ZINC000352271586 336209247 /nfs/dbraw/zinc/20/92/47/336209247.db2.gz CICIPBVINZQAFB-HNNXBMFYSA-N 1 0 324.384 4.020 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(C4CC4)CC3)s2)cc1 ZINC000532373620 336243870 /nfs/dbraw/zinc/24/38/70/336243870.db2.gz UKOKJFRBZBEKOA-UHFFFAOYSA-N 1 0 314.410 4.356 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000532462996 336248860 /nfs/dbraw/zinc/24/88/60/336248860.db2.gz RLWBKGMEIXDGMD-SGTLLEGYSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000532478538 336251269 /nfs/dbraw/zinc/25/12/69/336251269.db2.gz NKTOZELVMOORMY-AAEUAGOBSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000532511778 336252943 /nfs/dbraw/zinc/25/29/43/336252943.db2.gz XFPIAGYRMBBYQO-KGLIPLIRSA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000532529299 336253702 /nfs/dbraw/zinc/25/37/02/336253702.db2.gz RABGHEPGIHCAOZ-DZGCQCFKSA-N 1 0 316.401 4.477 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cl)s1)CCC2 ZINC000192751467 336260545 /nfs/dbraw/zinc/26/05/45/336260545.db2.gz ISRBYSLDZAUCEQ-CQSZACIVSA-N 1 0 322.817 4.477 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000325221094 336281488 /nfs/dbraw/zinc/28/14/88/336281488.db2.gz OVKADZFVIGQHBD-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2[nH+]1 ZINC000301546542 336313963 /nfs/dbraw/zinc/31/39/63/336313963.db2.gz FDORBDPAOAIWQZ-UHFFFAOYSA-N 1 0 319.364 4.014 20 5 DIBDRO Cc1cccc(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000302505533 336360316 /nfs/dbraw/zinc/36/03/16/336360316.db2.gz QFZHSWRIZFTIRI-UHFFFAOYSA-N 1 0 317.433 4.112 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](COCC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000389756986 336891794 /nfs/dbraw/zinc/89/17/94/336891794.db2.gz RPVGXPVXXKZOPI-IRXDYDNUSA-N 1 0 308.422 4.087 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](F)C3)s2)cc1 ZINC000582598059 337111585 /nfs/dbraw/zinc/11/15/85/337111585.db2.gz LTNIXWZSESLSPI-QWHCGFSZSA-N 1 0 320.389 4.304 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181239604 337180397 /nfs/dbraw/zinc/18/03/97/337180397.db2.gz RRJKFEHWGZXMGQ-CGTJXYLNSA-N 1 0 320.433 4.087 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181239640 337180439 /nfs/dbraw/zinc/18/04/39/337180439.db2.gz RRJKFEHWGZXMGQ-KBAYOESNSA-N 1 0 320.433 4.087 20 5 DIBDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000395248738 337214759 /nfs/dbraw/zinc/21/47/59/337214759.db2.gz ZBDNQCYQXMDKOB-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000536824238 337604129 /nfs/dbraw/zinc/60/41/29/337604129.db2.gz AHSSJESWQWJBBV-VBQJREDUSA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000536857407 337746389 /nfs/dbraw/zinc/74/63/89/337746389.db2.gz KYJYWBGXBRPTOW-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000536868230 337751314 /nfs/dbraw/zinc/75/13/14/337751314.db2.gz GDQGGMPNCNVXIM-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000536869208 337751640 /nfs/dbraw/zinc/75/16/40/337751640.db2.gz KANPBNRLFQPSDB-CYBMUJFWSA-N 1 0 304.415 4.330 20 5 DIBDRO CC[NH+](CC)Cc1cccc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000122285342 337913678 /nfs/dbraw/zinc/91/36/78/337913678.db2.gz DBZHHSXVGHXULE-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO CC(C)C[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000537320103 337931048 /nfs/dbraw/zinc/93/10/48/337931048.db2.gz BEBIXIROOPKEBV-LBPRGKRZSA-N 1 0 319.430 4.243 20 5 DIBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000516197306 338006585 /nfs/dbraw/zinc/00/65/85/338006585.db2.gz ZHJSLHLVIROSDW-ZDUSSCGKSA-N 1 0 302.349 4.317 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430035635 338093988 /nfs/dbraw/zinc/09/39/88/338093988.db2.gz CBGLLSMEEREESU-VDBIKXPHSA-N 1 0 310.344 4.023 20 5 DIBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000430740236 338112942 /nfs/dbraw/zinc/11/29/42/338112942.db2.gz GBIAVZFSAXENAQ-NHYWBVRUSA-N 1 0 324.371 4.342 20 5 DIBDRO C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000432424129 338156163 /nfs/dbraw/zinc/15/61/63/338156163.db2.gz NJSJQEQOUQUOGO-CBCUQQMYSA-N 1 0 320.433 4.229 20 5 DIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433124455 338182526 /nfs/dbraw/zinc/18/25/26/338182526.db2.gz CNABZMSSJKPPRL-KRWDZBQOSA-N 1 0 314.360 4.246 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434493841 338218358 /nfs/dbraw/zinc/21/83/58/338218358.db2.gz BFXJALAUESKXOJ-UHFFFAOYSA-N 1 0 314.360 4.056 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000153233340 338220710 /nfs/dbraw/zinc/22/07/10/338220710.db2.gz JINLCTFLYLFFLZ-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000435789009 338249357 /nfs/dbraw/zinc/24/93/57/338249357.db2.gz HDMNPQANLVHGSZ-SHTZXODSSA-N 1 0 316.788 4.284 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000442780125 338430714 /nfs/dbraw/zinc/43/07/14/338430714.db2.gz NERPWVRPTYBHAS-CYBMUJFWSA-N 1 0 316.426 4.210 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000442801341 338432453 /nfs/dbraw/zinc/43/24/53/338432453.db2.gz OJNKDBWDNCLVOX-SFHVURJKSA-N 1 0 323.396 4.360 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000442870204 338436702 /nfs/dbraw/zinc/43/67/02/338436702.db2.gz FWBILVUNFKEAMJ-LKSINWNRSA-N 1 0 312.360 4.378 20 5 DIBDRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447518649 338553665 /nfs/dbraw/zinc/55/36/65/338553665.db2.gz DCQXFPKXSYNTEF-ACJLOTCBSA-N 1 0 314.385 4.176 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CF)CC3)o2)cc1 ZINC000449454792 338626078 /nfs/dbraw/zinc/62/60/78/338626078.db2.gz KBWUSBCNVCJUAW-UHFFFAOYSA-N 1 0 318.348 4.036 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000194619704 338646660 /nfs/dbraw/zinc/64/66/60/338646660.db2.gz SOQCKJWZXNKYMA-LLVKDONJSA-N 1 0 322.311 4.047 20 5 DIBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2sccc21 ZINC000453138551 338798601 /nfs/dbraw/zinc/79/86/01/338798601.db2.gz AOQHHXCCZFQMCN-IAQYHMDHSA-N 1 0 302.399 4.385 20 5 DIBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2sccc21 ZINC000453154245 338800452 /nfs/dbraw/zinc/80/04/52/338800452.db2.gz ROYMNERTOXECNV-FZMZJTMJSA-N 1 0 302.399 4.385 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000453232010 338811551 /nfs/dbraw/zinc/81/15/51/338811551.db2.gz IYBNGLBWXWPXRP-SGTLLEGYSA-N 1 0 314.360 4.462 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000462733358 339085451 /nfs/dbraw/zinc/08/54/51/339085451.db2.gz HVWVOXUGKZEQHD-IIAWOOMASA-N 1 0 318.417 4.052 20 5 DIBDRO COc1ccc(C[NH2+]CCCCC2CCCC2)cc1[N+](=O)[O-] ZINC000462746568 339086538 /nfs/dbraw/zinc/08/65/38/339086538.db2.gz QOXJYKKOHSIKBF-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000462766062 339087639 /nfs/dbraw/zinc/08/76/39/339087639.db2.gz IFIIDSKMIXOLES-UHFFFAOYSA-N 1 0 324.833 4.422 20 5 DIBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000462770359 339087736 /nfs/dbraw/zinc/08/77/36/339087736.db2.gz VNVQQNAAAHVIBA-UHFFFAOYSA-N 1 0 316.376 4.155 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C/C=C/c2ccccc2)cc1 ZINC000462770553 339087748 /nfs/dbraw/zinc/08/77/48/339087748.db2.gz WOKLRTIPROSLBQ-UXBLZVDNSA-N 1 0 310.397 4.221 20 5 DIBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463447850 339118103 /nfs/dbraw/zinc/11/81/03/339118103.db2.gz JGKRSXMZNBXNGN-OCCSQVGLSA-N 1 0 316.323 4.148 20 5 DIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000464781279 339153469 /nfs/dbraw/zinc/15/34/69/339153469.db2.gz XXAPCKZLKPPIAX-LSDHHAIUSA-N 1 0 308.447 4.009 20 5 DIBDRO COCC[C@H]1CCCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000467276372 339229749 /nfs/dbraw/zinc/22/97/49/339229749.db2.gz AUAXFRHKOHHJLV-HZPDHXFCSA-N 1 0 320.433 4.103 20 5 DIBDRO CCC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000467990188 339250500 /nfs/dbraw/zinc/25/05/00/339250500.db2.gz IXHUYAXLLVOAFO-HNNXBMFYSA-N 1 0 304.415 4.330 20 5 DIBDRO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468040804 339252315 /nfs/dbraw/zinc/25/23/15/339252315.db2.gz SDYZFFBXAMPLMD-MRVPVSSYSA-N 1 0 310.703 4.069 20 5 DIBDRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468385194 339261313 /nfs/dbraw/zinc/26/13/13/339261313.db2.gz UZVXYWQLZXZSOU-LSDHHAIUSA-N 1 0 316.401 4.120 20 5 DIBDRO CSCCCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468603033 339267011 /nfs/dbraw/zinc/26/70/11/339267011.db2.gz QRSREMXBDNPBIH-KAMYIIQDSA-N 1 0 308.447 4.121 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C2CC2)CCC1 ZINC000468608980 339267109 /nfs/dbraw/zinc/26/71/09/339267109.db2.gz OMXLVUDYBVRVJS-UVTDQMKNSA-N 1 0 300.402 4.168 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000468643609 339267797 /nfs/dbraw/zinc/26/77/97/339267797.db2.gz QWWBYYQUYHSFFV-LFYBBSHMSA-N 1 0 318.323 4.066 20 5 DIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000469774212 339298746 /nfs/dbraw/zinc/29/87/46/339298746.db2.gz DJRDLMSQBOBPDI-VBNZEHGJSA-N 1 0 308.447 4.310 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000470173321 339312721 /nfs/dbraw/zinc/31/27/21/339312721.db2.gz AQSCETHXYDUSFA-GPZRYRNASA-N 1 0 311.385 4.163 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000470173322 339312793 /nfs/dbraw/zinc/31/27/93/339312793.db2.gz AQSCETHXYDUSFA-RMHQSFGDSA-N 1 0 311.385 4.163 20 5 DIBDRO CC(C)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000470362272 339318165 /nfs/dbraw/zinc/31/81/65/339318165.db2.gz DDQIVJGNSKLUPR-JTQLQIEISA-N 1 0 304.312 4.138 20 5 DIBDRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000471612891 339349558 /nfs/dbraw/zinc/34/95/58/339349558.db2.gz HKCCCONBUXQHAG-GOSISDBHSA-N 1 0 310.397 4.379 20 5 DIBDRO Cc1ccc2[nH]c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000472041614 339360225 /nfs/dbraw/zinc/36/02/25/339360225.db2.gz OAHLQEFXKXWNTM-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc2ccccc2o1 ZINC000472259164 339367988 /nfs/dbraw/zinc/36/79/88/339367988.db2.gz FRJXMBCBQHFHNB-UHFFFAOYSA-N 1 0 310.353 4.016 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2cccc(F)c2o1 ZINC000473989414 339396400 /nfs/dbraw/zinc/39/64/00/339396400.db2.gz ZZYLFUQJITVUDF-NSHDSACASA-N 1 0 314.316 4.331 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475328478 339446671 /nfs/dbraw/zinc/44/66/71/339446671.db2.gz BUODRHRIDSJGRI-RHSMWYFYSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)cs1 ZINC000475335412 339447273 /nfs/dbraw/zinc/44/72/73/339447273.db2.gz HEHBYMLRVPVHDD-ZFWWWQNUSA-N 1 0 320.389 4.221 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000475343159 339448185 /nfs/dbraw/zinc/44/81/85/339448185.db2.gz QDASBBSUQWBLNG-WBVHZDCISA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1c(C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000478510803 339516865 /nfs/dbraw/zinc/51/68/65/339516865.db2.gz ZGBWFZZZVYZUCK-ADLMAVQZSA-N 1 0 314.360 4.065 20 5 DIBDRO Cc1cc2[nH]c(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cc2c(C)c1 ZINC000479431043 339534726 /nfs/dbraw/zinc/53/47/26/339534726.db2.gz XUVLVJUHEUUSHV-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCSc2ccccc2)cccc1[N+](=O)[O-] ZINC000479902420 339553194 /nfs/dbraw/zinc/55/31/94/339553194.db2.gz PAVYNEHQSQCSHG-AWEZNQCLSA-N 1 0 316.426 4.346 20 5 DIBDRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480247766 339565037 /nfs/dbraw/zinc/56/50/37/339565037.db2.gz MYUNFJYGHLQJHA-BDJLRTHQSA-N 1 0 302.399 4.458 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(Cc2ccccc2)CC1 ZINC000480658223 339581578 /nfs/dbraw/zinc/58/15/78/339581578.db2.gz AUUSRIONBULMOF-MRXNPFEDSA-N 1 0 324.424 4.281 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000481041345 339594004 /nfs/dbraw/zinc/59/40/04/339594004.db2.gz PLULKOFKWGWSRZ-TZMCWYRMSA-N 1 0 316.376 4.324 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000481837735 339615133 /nfs/dbraw/zinc/61/51/33/339615133.db2.gz PVFBARGCAYPVDG-DZGCQCFKSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CSc3ccccc32)cccc1[N+](=O)[O-] ZINC000483174547 339655197 /nfs/dbraw/zinc/65/51/97/339655197.db2.gz QZPNZNMIKYKARI-IUODEOHRSA-N 1 0 314.410 4.401 20 5 DIBDRO CC(C)([NH2+]Cc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000485706417 339710233 /nfs/dbraw/zinc/71/02/33/339710233.db2.gz AQZGLUFUFNLQIO-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2ncsc2c1 ZINC000485713813 339710812 /nfs/dbraw/zinc/71/08/12/339710812.db2.gz AGCSUOARGLWPBH-LLVKDONJSA-N 1 0 313.382 4.055 20 5 DIBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488453520 339783345 /nfs/dbraw/zinc/78/33/45/339783345.db2.gz ZXFSBKZICJOTTD-RDJZCZTQSA-N 1 0 322.474 4.037 20 5 DIBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000492371712 339898926 /nfs/dbraw/zinc/89/89/26/339898926.db2.gz ABQBJJODFNDOIN-CLFYSBASSA-N 1 0 314.360 4.272 20 5 DIBDRO CC(C)([NH2+]C[C@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000492397777 339899537 /nfs/dbraw/zinc/89/95/37/339899537.db2.gz LBTTVODISVGDFN-CVEARBPZSA-N 1 0 310.397 4.223 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000494482388 339950988 /nfs/dbraw/zinc/95/09/88/339950988.db2.gz FBVZFBBWYMMWOE-SECBINFHSA-N 1 0 304.312 4.138 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000495373777 339981990 /nfs/dbraw/zinc/98/19/90/339981990.db2.gz INPJMWONAWPZTI-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000495438168 339984632 /nfs/dbraw/zinc/98/46/32/339984632.db2.gz GDTHYGQJSTWSRY-QBUQCISBSA-N 1 0 322.408 4.219 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000499608223 340040734 /nfs/dbraw/zinc/04/07/34/340040734.db2.gz UTEGHRUKKDLBLX-HNNXBMFYSA-N 1 0 320.433 4.151 20 5 DIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000500233856 340053551 /nfs/dbraw/zinc/05/35/51/340053551.db2.gz UXSKTULMTPZFAA-LJQANCHMSA-N 1 0 310.397 4.149 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000500374402 340055966 /nfs/dbraw/zinc/05/59/66/340055966.db2.gz FQYNZBKLWUAFAJ-NRUITVPNSA-N 1 0 324.371 4.413 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000500374403 340056001 /nfs/dbraw/zinc/05/60/01/340056001.db2.gz FQYNZBKLWUAFAJ-ODDCISTRSA-N 1 0 324.371 4.413 20 5 DIBDRO C[C@@H]1C[C@]1([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000500394592 340056457 /nfs/dbraw/zinc/05/64/57/340056457.db2.gz FGESOMQHNLZSJO-SJKOYZFVSA-N 1 0 316.788 4.273 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000500404257 340057082 /nfs/dbraw/zinc/05/70/82/340057082.db2.gz QTAMBZODLOSPKA-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000500424537 340058023 /nfs/dbraw/zinc/05/80/23/340058023.db2.gz LCHLULBUBYGNTF-WXJAXGNASA-N 1 0 310.344 4.023 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC(F)(F)CC1 ZINC000500437529 340058707 /nfs/dbraw/zinc/05/87/07/340058707.db2.gz DBOFNMIHUSFTHT-LCYFTJDESA-N 1 0 324.371 4.413 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000500442567 340058878 /nfs/dbraw/zinc/05/88/78/340058878.db2.gz UXQKPGZYJUACBO-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000501868071 340090009 /nfs/dbraw/zinc/09/00/09/340090009.db2.gz ALBTXRJAVWLDBJ-SFHVURJKSA-N 1 0 310.397 4.110 20 5 DIBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000501950553 340091325 /nfs/dbraw/zinc/09/13/25/340091325.db2.gz SQHRDXGIWFXIJC-CYBMUJFWSA-N 1 0 318.804 4.184 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)CCC2 ZINC000502590875 340108624 /nfs/dbraw/zinc/10/86/24/340108624.db2.gz IBTNAESOWKKCCY-WBMJQRKESA-N 1 0 324.371 4.387 20 5 DIBDRO CC(C)([NH2+]C[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503037697 340119420 /nfs/dbraw/zinc/11/94/20/340119420.db2.gz STKDUHZSSGTVAH-QAPCUYQASA-N 1 0 310.397 4.223 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000503854413 340135154 /nfs/dbraw/zinc/13/51/54/340135154.db2.gz BJRWWJPAWXQFNO-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000504912227 340155942 /nfs/dbraw/zinc/15/59/42/340155942.db2.gz SIOQQJGOSBQRCP-UONOGXRCSA-N 1 0 304.390 4.000 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccsc1 ZINC000504920071 340156154 /nfs/dbraw/zinc/15/61/54/340156154.db2.gz MSRUNTNZZYZQLN-ZDUSSCGKSA-N 1 0 322.455 4.317 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(F)(F)F ZINC000504931332 340156513 /nfs/dbraw/zinc/15/65/13/340156513.db2.gz XJPULIFTRBKPPE-SNVBAGLBSA-N 1 0 322.352 4.008 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(F)(F)F ZINC000504931331 340156638 /nfs/dbraw/zinc/15/66/38/340156638.db2.gz XJPULIFTRBKPPE-JTQLQIEISA-N 1 0 322.352 4.008 20 5 DIBDRO CCC[NH+](CCC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505348170 340166664 /nfs/dbraw/zinc/16/66/64/340166664.db2.gz FXCYMZHLZAADQT-UHFFFAOYSA-N 1 0 319.430 4.340 20 5 DIBDRO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000506707026 340199887 /nfs/dbraw/zinc/19/98/87/340199887.db2.gz NGXNGKDPLVZMHF-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000507197958 340212841 /nfs/dbraw/zinc/21/28/41/340212841.db2.gz SXDOFWYDNOKTLQ-NVXWUHKLSA-N 1 0 310.397 4.454 20 5 DIBDRO C[C@H](c1ccccc1Cl)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000507214905 340213911 /nfs/dbraw/zinc/21/39/11/340213911.db2.gz RECZDONBDBPGNH-LLVKDONJSA-N 1 0 320.776 4.147 20 5 DIBDRO CC(C)[C@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000507225326 340214394 /nfs/dbraw/zinc/21/43/94/340214394.db2.gz CKFDOQWUSSGJCB-LBPRGKRZSA-N 1 0 319.430 4.195 20 5 DIBDRO Cc1sccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000507244409 340215188 /nfs/dbraw/zinc/21/51/88/340215188.db2.gz RKRVGMMRMXWXCK-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000507441501 340219758 /nfs/dbraw/zinc/21/97/58/340219758.db2.gz NYGZTTHYIACGSF-LBPRGKRZSA-N 1 0 300.358 4.085 20 5 DIBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000402563238 340243061 /nfs/dbraw/zinc/24/30/61/340243061.db2.gz LAJNVHLLLXJYAW-SECBINFHSA-N 1 0 324.730 4.316 20 5 DIBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000402626636 340249096 /nfs/dbraw/zinc/24/90/96/340249096.db2.gz WZAVIFCKHUAMHO-GHMZBOCLSA-N 1 0 304.312 4.224 20 5 DIBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1cccs1 ZINC000508708716 340251154 /nfs/dbraw/zinc/25/11/54/340251154.db2.gz DXHSUKPTSZINBI-VMPITWQZSA-N 1 0 316.426 4.234 20 5 DIBDRO C[N@H+](CCc1cccc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000303134193 340304211 /nfs/dbraw/zinc/30/42/11/340304211.db2.gz OVYAGXBTSZMWOD-UHFFFAOYSA-N 1 0 320.392 4.423 20 5 DIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000303523686 340330280 /nfs/dbraw/zinc/33/02/80/340330280.db2.gz DAAPPWINWSMBCC-GOSISDBHSA-N 1 0 310.397 4.110 20 5 DIBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000303528720 340330575 /nfs/dbraw/zinc/33/05/75/340330575.db2.gz DOWFHSGEHJCELE-IBGZPJMESA-N 1 0 310.397 4.149 20 5 DIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000303531876 340331291 /nfs/dbraw/zinc/33/12/91/340331291.db2.gz DYNBWARUXQPRJG-SFHVURJKSA-N 1 0 310.397 4.110 20 5 DIBDRO C[C@H](c1ccco1)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000511753126 340337124 /nfs/dbraw/zinc/33/71/24/340337124.db2.gz FIWHBZAWAYUFMI-HJHHMULASA-N 1 0 312.369 4.427 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)(F)F)CCC2)c(Cl)c1 ZINC000513022885 340388995 /nfs/dbraw/zinc/38/89/95/340388995.db2.gz ZGJVGRQGRMYWOQ-UHFFFAOYSA-N 1 0 322.714 4.070 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000089214371 340466528 /nfs/dbraw/zinc/46/65/28/340466528.db2.gz DZNUZUHZUOTFQP-XIKOKIGWSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000190860877 340547618 /nfs/dbraw/zinc/54/76/18/340547618.db2.gz MGAIAMQRUIHHCR-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3ncccc3c2)cccc1[N+](=O)[O-] ZINC000195149272 340575139 /nfs/dbraw/zinc/57/51/39/340575139.db2.gz NKUIJEURRJYDFZ-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000523391969 340623013 /nfs/dbraw/zinc/62/30/13/340623013.db2.gz VLYBBBGVIDVCAL-OLZOCXBDSA-N 1 0 302.374 4.379 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000524114947 340647732 /nfs/dbraw/zinc/64/77/32/340647732.db2.gz VXNZAXOVYUQTCT-CHWSQXEVSA-N 1 0 302.374 4.379 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000037562824 340785564 /nfs/dbraw/zinc/78/55/64/340785564.db2.gz DECGQBGYDOUALR-OAHLLOKOSA-N 1 0 308.378 4.282 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000537983335 340795436 /nfs/dbraw/zinc/79/54/36/340795436.db2.gz HEMKVWLIDFHOIQ-ZVZYQTTQSA-N 1 0 310.397 4.185 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000539084368 340871712 /nfs/dbraw/zinc/87/17/12/340871712.db2.gz SBGQRTFGTDLJBK-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000540160287 340918947 /nfs/dbraw/zinc/91/89/47/340918947.db2.gz BSGSEODOLALJPA-SFHVURJKSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cccc(F)c1F ZINC000540178416 340920981 /nfs/dbraw/zinc/92/09/81/340920981.db2.gz BSNULRAJKURNIX-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000540394675 340929389 /nfs/dbraw/zinc/92/93/89/340929389.db2.gz CEMCUWFUSXMOSE-KGLIPLIRSA-N 1 0 310.397 4.495 20 5 DIBDRO CS[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000544384797 341079537 /nfs/dbraw/zinc/07/95/37/341079537.db2.gz CYFSMAGPCHDOEO-IUODEOHRSA-N 1 0 310.463 4.332 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000546165501 341155365 /nfs/dbraw/zinc/15/53/65/341155365.db2.gz HJXKMUQSPRJRNB-WDEREUQCSA-N 1 0 304.312 4.285 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000564314072 341198252 /nfs/dbraw/zinc/19/82/52/341198252.db2.gz AYRZUAJKORMCCZ-RYBIEJRYSA-N 1 0 323.396 4.230 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000079121497 341253919 /nfs/dbraw/zinc/25/39/19/341253919.db2.gz QHSFMCYWTYXQPC-OLZOCXBDSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C2CCC2)o1 ZINC000548710727 341270221 /nfs/dbraw/zinc/27/02/21/341270221.db2.gz SECPSUPERMKFJH-SFHVURJKSA-N 1 0 314.385 4.170 20 5 DIBDRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000080242386 341271397 /nfs/dbraw/zinc/27/13/97/341271397.db2.gz ZHGGYRMTEOTVGZ-DGCLKSJQSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000548790420 341275811 /nfs/dbraw/zinc/27/58/11/341275811.db2.gz UDYWUEQENVSSFJ-OLZOCXBDSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000549221775 341288964 /nfs/dbraw/zinc/28/89/64/341288964.db2.gz BCROGHFYEQGZLJ-WBAXXEDZSA-N 1 0 310.397 4.185 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000549235698 341289376 /nfs/dbraw/zinc/28/93/76/341289376.db2.gz MDFGATZLPOOBDI-FZKCQIBNSA-N 1 0 320.433 4.148 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000550894882 341325951 /nfs/dbraw/zinc/32/59/51/341325951.db2.gz NHYKPQKFZIUTAA-YTQUADARSA-N 1 0 310.397 4.439 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000551274722 341336797 /nfs/dbraw/zinc/33/67/97/341336797.db2.gz VBRPQKUHAVDXFG-ZVZYQTTQSA-N 1 0 310.397 4.358 20 5 DIBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000554365577 341451469 /nfs/dbraw/zinc/45/14/69/341451469.db2.gz OEABSOAIABHLDD-WBMJQRKESA-N 1 0 320.458 4.050 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000556202135 341497091 /nfs/dbraw/zinc/49/70/91/341497091.db2.gz HSUGKACIURQHSZ-NUTKFTJISA-N 1 0 314.360 4.331 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1F ZINC000565218927 341520500 /nfs/dbraw/zinc/52/05/00/341520500.db2.gz QLRPFSCRVLOJJZ-MGPLVRAMSA-N 1 0 318.323 4.211 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)s1 ZINC000566002313 341545018 /nfs/dbraw/zinc/54/50/18/341545018.db2.gz GVCZBOHFECRMMO-VXGBXAGGSA-N 1 0 320.389 4.304 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@H](F)C2)s1 ZINC000566002312 341545119 /nfs/dbraw/zinc/54/51/19/341545119.db2.gz GVCZBOHFECRMMO-RYUDHWBXSA-N 1 0 320.389 4.304 20 5 DIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267470507 341591685 /nfs/dbraw/zinc/59/16/85/341591685.db2.gz XRWYWBDSPRLNGN-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Cl)s1 ZINC000567519998 341612022 /nfs/dbraw/zinc/61/20/22/341612022.db2.gz WSRBRMRGACCCRZ-LBPRGKRZSA-N 1 0 308.790 4.087 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H](C)C2 ZINC000577442866 341910103 /nfs/dbraw/zinc/91/01/03/341910103.db2.gz FWDMQLIGZHZPLW-BFUOFWGJSA-N 1 0 310.397 4.235 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000182128478 520780290 /nfs/dbraw/zinc/78/02/90/520780290.db2.gz TVNFKJNURQCSFC-MRXNPFEDSA-N 1 0 319.792 4.274 20 5 DIBDRO COCC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000338018999 521862331 /nfs/dbraw/zinc/86/23/31/521862331.db2.gz NWPGUXDORFTNQA-DLBZAZTESA-N 1 0 320.433 4.013 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127090075 522720803 /nfs/dbraw/zinc/72/08/03/522720803.db2.gz FLZMVNKGJFOCFH-WBVHZDCISA-N 1 0 318.417 4.127 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H](C)c1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000186581073 522847113 /nfs/dbraw/zinc/84/71/13/522847113.db2.gz STJKFPOILGRLEH-IAQYHMDHSA-N 1 0 319.430 4.204 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H](C)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000181630799 522847464 /nfs/dbraw/zinc/84/74/64/522847464.db2.gz MMOCDMLPHLGBGN-BDJLRTHQSA-N 1 0 317.389 4.044 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172974500 524784108 /nfs/dbraw/zinc/78/41/08/524784108.db2.gz MYBQOOGHCJHURT-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000249329603 525610754 /nfs/dbraw/zinc/61/07/54/525610754.db2.gz VVQSPABOZPLRGU-UHTWSYAYSA-N 1 0 316.323 4.367 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1[N+](=O)[O-] ZINC000266442096 525691483 /nfs/dbraw/zinc/69/14/83/525691483.db2.gz GZUZGDLXDKARCR-BZNIZROVSA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000191213890 525921497 /nfs/dbraw/zinc/92/14/97/525921497.db2.gz ZKBKAUOQVVEHCQ-STQMWFEESA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000126613212 526090508 /nfs/dbraw/zinc/09/05/08/526090508.db2.gz IWMCGECEVJTXNL-CHWSQXEVSA-N 1 0 300.358 4.021 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])c(C)s1 ZINC000049507054 1035522454 /nfs/dbraw/zinc/52/24/54/1035522454.db2.gz CFYSCVWLPOXNDD-SNVBAGLBSA-N 1 0 308.378 4.263 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)s1 ZINC000035253042 1035596074 /nfs/dbraw/zinc/59/60/74/1035596074.db2.gz SAULLVQSDQCBFY-GFCCVEGCSA-N 1 0 304.415 4.432 20 5 DIBDRO C[C@@H](C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000577903018 1035708445 /nfs/dbraw/zinc/70/84/45/1035708445.db2.gz WQRBUXFTQXRSIL-AWEZNQCLSA-N 1 0 323.396 4.012 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000610215757 1035751724 /nfs/dbraw/zinc/75/17/24/1035751724.db2.gz QEHJVDPMAYDTPL-HNNXBMFYSA-N 1 0 304.415 4.109 20 5 DIBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000610216017 1035751965 /nfs/dbraw/zinc/75/19/65/1035751965.db2.gz BMWCANNQKTXGEZ-KXBFYZLASA-N 1 0 310.397 4.220 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610215804 1035753408 /nfs/dbraw/zinc/75/34/08/1035753408.db2.gz ZOPFHKVANROFAO-HNNXBMFYSA-N 1 0 316.376 4.187 20 5 DIBDRO CCc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000226579013 1035845934 /nfs/dbraw/zinc/84/59/34/1035845934.db2.gz NWARBEXRXZXFJJ-GFCCVEGCSA-N 1 0 304.415 4.378 20 5 DIBDRO CCc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000226579009 1035848267 /nfs/dbraw/zinc/84/82/67/1035848267.db2.gz NWARBEXRXZXFJJ-LBPRGKRZSA-N 1 0 304.415 4.378 20 5 DIBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000261448009 1036205264 /nfs/dbraw/zinc/20/52/64/1036205264.db2.gz DCGVKOLEZLJMRQ-OAHLLOKOSA-N 1 0 302.399 4.302 20 5 DIBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001167227518 1036294440 /nfs/dbraw/zinc/29/44/40/1036294440.db2.gz RTDJELCWQUHBTF-DZGCQCFKSA-N 1 0 306.406 4.004 20 5 DIBDRO COc1cc(C[N@H+](C)CCC2CCCCC2)c([N+](=O)[O-])cc1F ZINC001167273307 1036354653 /nfs/dbraw/zinc/35/46/53/1036354653.db2.gz BDWXBROUIXPSMF-UHFFFAOYSA-N 1 0 324.396 4.145 20 5 DIBDRO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000323065691 1036472092 /nfs/dbraw/zinc/47/20/92/1036472092.db2.gz NMGWORVSACEAMJ-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000610002060 1036693203 /nfs/dbraw/zinc/69/32/03/1036693203.db2.gz ZRMQXQLALAIBIS-UKRRQHHQSA-N 1 0 306.406 4.004 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCSc1ccccc1 ZINC000579542983 1037052634 /nfs/dbraw/zinc/05/26/34/1037052634.db2.gz UBCQKGZTPGBTCL-AWEZNQCLSA-N 1 0 316.426 4.346 20 5 DIBDRO CC(C)[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001167424475 1037226718 /nfs/dbraw/zinc/22/67/18/1037226718.db2.gz KCHRTUGEZJLKSM-LBPRGKRZSA-N 1 0 312.360 4.131 20 5 DIBDRO CC[C@H]1CCCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001167457476 1037575945 /nfs/dbraw/zinc/57/59/45/1037575945.db2.gz BZQKGBVFCNRNLZ-HNNXBMFYSA-N 1 0 306.406 4.018 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000276258206 1037675672 /nfs/dbraw/zinc/67/56/72/1037675672.db2.gz APMMNRQIAQVVOE-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000276305866 1037691532 /nfs/dbraw/zinc/69/15/32/1037691532.db2.gz KYJKJRZTXDOCNN-KRWDZBQOSA-N 1 0 302.349 4.221 20 5 DIBDRO CCCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC001167474948 1037809423 /nfs/dbraw/zinc/80/94/23/1037809423.db2.gz UYXQXLFLLMMOBK-OAHLLOKOSA-N 1 0 313.401 4.353 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000060889824 1038089709 /nfs/dbraw/zinc/08/97/09/1038089709.db2.gz WNHWWCACFUEEPA-HNNXBMFYSA-N 1 0 306.406 4.004 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598956001 1038201370 /nfs/dbraw/zinc/20/13/70/1038201370.db2.gz UKHUGJRRNYPLII-NSHDSACASA-N 1 0 300.349 4.317 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000598994167 1038212603 /nfs/dbraw/zinc/21/26/03/1038212603.db2.gz WVTYIZZEGCUGIQ-FUKWUPMWSA-N 1 0 323.396 4.134 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000599035790 1038224725 /nfs/dbraw/zinc/22/47/25/1038224725.db2.gz NTKLIBPKTUJNCH-OAHLLOKOSA-N 1 0 320.751 4.164 20 5 DIBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000603856632 1038301408 /nfs/dbraw/zinc/30/14/08/1038301408.db2.gz OTNILZZIYVMUMD-GFCCVEGCSA-N 1 0 304.777 4.441 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC(F)(F)C3)o2)c1 ZINC000610787724 1038307068 /nfs/dbraw/zinc/30/70/68/1038307068.db2.gz GZMVBPKRNGGCMU-LBPRGKRZSA-N 1 0 322.311 4.132 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000603868539 1038308945 /nfs/dbraw/zinc/30/89/45/1038308945.db2.gz UCWWQRZTSWFXDX-KRWDZBQOSA-N 1 0 300.333 4.071 20 5 DIBDRO CC[NH+](CC)Cc1cccc(CNc2ccccc2[N+](=O)[O-])c1 ZINC000603865954 1038309829 /nfs/dbraw/zinc/30/98/29/1038309829.db2.gz BMPDGLDMCLMPRG-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO CCCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000603926134 1038319930 /nfs/dbraw/zinc/31/99/30/1038319930.db2.gz FUZYHOWNDQYWSZ-UHFFFAOYSA-N 1 0 302.349 4.146 20 5 DIBDRO CSCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610797039 1038327076 /nfs/dbraw/zinc/32/70/76/1038327076.db2.gz VHVXSSUBWAJUPV-LLVKDONJSA-N 1 0 322.455 4.337 20 5 DIBDRO C[C@@H](c1cccs1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012508 1038340697 /nfs/dbraw/zinc/34/06/97/1038340697.db2.gz JCONORIYUCQZNH-ZDUSSCGKSA-N 1 0 320.414 4.118 20 5 DIBDRO C[N@H+](CCC1CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000535805101 1038344530 /nfs/dbraw/zinc/34/45/30/1038344530.db2.gz HPSUIDOZZBIQEK-UHFFFAOYSA-N 1 0 300.358 4.087 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccn1 ZINC000610810431 1038352089 /nfs/dbraw/zinc/35/20/89/1038352089.db2.gz IQPQGURTCHIFFO-KDOFPFPSSA-N 1 0 313.401 4.490 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000610831183 1038373487 /nfs/dbraw/zinc/37/34/87/1038373487.db2.gz IEDIRINVSWFPTH-RDTXWAMCSA-N 1 0 313.401 4.224 20 5 DIBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610859429 1038381169 /nfs/dbraw/zinc/38/11/69/1038381169.db2.gz RSQWFWPHHXXANI-DOMZBBRYSA-N 1 0 317.389 4.137 20 5 DIBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610859430 1038381655 /nfs/dbraw/zinc/38/16/55/1038381655.db2.gz RSQWFWPHHXXANI-IUODEOHRSA-N 1 0 317.389 4.137 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000098161391 1038393630 /nfs/dbraw/zinc/39/36/30/1038393630.db2.gz PZKGFUPETZHPSK-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000061558063 1038407977 /nfs/dbraw/zinc/40/79/77/1038407977.db2.gz UHQHZUKUGYTSDY-KRWDZBQOSA-N 1 0 302.349 4.221 20 5 DIBDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000604435057 1038414916 /nfs/dbraw/zinc/41/49/16/1038414916.db2.gz WJBNLHDODHYNIT-UHFFFAOYSA-N 1 0 314.385 4.062 20 5 DIBDRO C[C@@H](c1ccccc1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000604492513 1038420699 /nfs/dbraw/zinc/42/06/99/1038420699.db2.gz QUPZXMHGFVGHFU-HNNXBMFYSA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538555356 1038481645 /nfs/dbraw/zinc/48/16/45/1038481645.db2.gz ZYXKUBYYKNWZLQ-LBPRGKRZSA-N 1 0 300.333 4.074 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539083478 1038520221 /nfs/dbraw/zinc/52/02/21/1038520221.db2.gz NHCKFJWXVDDJDC-RDTXWAMCSA-N 1 0 314.385 4.103 20 5 DIBDRO Cc1c(C[N@H+](Cc2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000051408272 1038565727 /nfs/dbraw/zinc/56/57/27/1038565727.db2.gz OEEBSYNDFYWHHU-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119828838 1038582409 /nfs/dbraw/zinc/58/24/09/1038582409.db2.gz AFARWHKCXGSAEI-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1ccc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000611583615 1038620825 /nfs/dbraw/zinc/62/08/25/1038620825.db2.gz LUGUHPWSASONJE-MRXNPFEDSA-N 1 0 312.413 4.495 20 5 DIBDRO CCC(CC)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])SC ZINC000230708286 1038622414 /nfs/dbraw/zinc/62/24/14/1038622414.db2.gz SMFIJDNXFCFBJR-UHFFFAOYSA-N 1 0 316.854 4.260 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000478510805 1038654396 /nfs/dbraw/zinc/65/43/96/1038654396.db2.gz ZGBWFZZZVYZUCK-VOJFVSQTSA-N 1 0 314.360 4.065 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000582400211 1038656096 /nfs/dbraw/zinc/65/60/96/1038656096.db2.gz NURQCXLUBGGZAR-LLVKDONJSA-N 1 0 322.792 4.351 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000230409302 1038675267 /nfs/dbraw/zinc/67/52/67/1038675267.db2.gz JMVZCPBRUWIUDW-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO CC[NH+](CC)Cc1ccc(CNc2ccsc2[N+](=O)[O-])cc1 ZINC000063256646 1038680587 /nfs/dbraw/zinc/68/05/87/1038680587.db2.gz RWTNFXUMAKGUCK-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO CC1(C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608836616 1038928937 /nfs/dbraw/zinc/92/89/37/1038928937.db2.gz YOYPHCZQVIUQBU-OAHLLOKOSA-N 1 0 302.399 4.211 20 5 DIBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836526 1038929040 /nfs/dbraw/zinc/92/90/40/1038929040.db2.gz ORJBLPGMNACTRJ-YPMHNXCESA-N 1 0 302.399 4.069 20 5 DIBDRO COc1ccc(C[NH+]2CCC3(CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000608833256 1038929346 /nfs/dbraw/zinc/92/93/46/1038929346.db2.gz GGKJLTQPLLXLMD-UHFFFAOYSA-N 1 0 318.417 4.150 20 5 DIBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836525 1038930355 /nfs/dbraw/zinc/93/03/55/1038930355.db2.gz ORJBLPGMNACTRJ-WCQYABFASA-N 1 0 302.399 4.069 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000608909319 1038937233 /nfs/dbraw/zinc/93/72/33/1038937233.db2.gz LBRSWGOYKHJHPH-SFHVURJKSA-N 1 0 310.397 4.192 20 5 DIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000064029306 1038940293 /nfs/dbraw/zinc/94/02/93/1038940293.db2.gz ICJAHZOSTUJJIT-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000178686409 1038975683 /nfs/dbraw/zinc/97/56/83/1038975683.db2.gz WKXZMDYKJWWMHT-HZMBPMFUSA-N 1 0 317.414 4.088 20 5 DIBDRO Cc1ccsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000534336842 1039038549 /nfs/dbraw/zinc/03/85/49/1039038549.db2.gz LEXAXNRICZBMDB-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000594507605 1039067404 /nfs/dbraw/zinc/06/74/04/1039067404.db2.gz OCABZBYWRBJTOI-SJORKVTESA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000122127691 1039096518 /nfs/dbraw/zinc/09/65/18/1039096518.db2.gz PWPTWKMANRVQFV-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089896904 1039288878 /nfs/dbraw/zinc/28/88/78/1039288878.db2.gz IEPPWZFXJXTHQJ-STQMWFEESA-N 1 0 315.373 4.013 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccc2)CC1 ZINC000539624608 1039305031 /nfs/dbraw/zinc/30/50/31/1039305031.db2.gz WAQMAWIPCNXQCW-OAHLLOKOSA-N 1 0 310.397 4.195 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000539657250 1039311412 /nfs/dbraw/zinc/31/14/12/1039311412.db2.gz VEOBIQNMHVXDAH-CYBMUJFWSA-N 1 0 314.360 4.382 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000321499547 1039490524 /nfs/dbraw/zinc/49/05/24/1039490524.db2.gz ZVHFKTOLNSBPSZ-ZBEGNZNMSA-N 1 0 317.389 4.392 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443348813 1039510700 /nfs/dbraw/zinc/51/07/00/1039510700.db2.gz SIAMYIMKCUTFHE-AWEZNQCLSA-N 1 0 318.417 4.079 20 5 DIBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000540557109 1039516960 /nfs/dbraw/zinc/51/69/60/1039516960.db2.gz CJDQROHSFWHBNO-JZTMSUKMSA-N 1 0 312.369 4.114 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000540608344 1039528162 /nfs/dbraw/zinc/52/81/62/1039528162.db2.gz UUVWFGLPGNXEIW-HWKANZROSA-N 1 0 312.344 4.026 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000540610298 1039528514 /nfs/dbraw/zinc/52/85/14/1039528514.db2.gz PXWPZMJGYJEJMN-GXSJLCMTSA-N 1 0 322.352 4.115 20 5 DIBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000601298629 1039677127 /nfs/dbraw/zinc/67/71/27/1039677127.db2.gz PCMDQLCNLKDQQH-VXGBXAGGSA-N 1 0 319.430 4.032 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000271846099 1039847616 /nfs/dbraw/zinc/84/76/16/1039847616.db2.gz WUAXUATZIQLEKY-STQMWFEESA-N 1 0 312.369 4.037 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2F)cc1[N+](=O)[O-] ZINC000491587124 1039866277 /nfs/dbraw/zinc/86/62/77/1039866277.db2.gz VCPGQXAPGXPJFR-UHFFFAOYSA-N 1 0 314.360 4.210 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC000491607521 1039866411 /nfs/dbraw/zinc/86/64/11/1039866411.db2.gz PAXBGLGYHZWEAR-LBPRGKRZSA-N 1 0 318.373 4.054 20 5 DIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc([N+](=O)[O-])cc1C ZINC000443856748 1039897673 /nfs/dbraw/zinc/89/76/73/1039897673.db2.gz SNAXETDTMCYBGZ-UHFFFAOYSA-N 1 0 323.396 4.407 20 5 DIBDRO CC(C)(NCc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC000492311422 1039947436 /nfs/dbraw/zinc/94/74/36/1039947436.db2.gz INXCIWLUXYNYIW-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492374719 1039958592 /nfs/dbraw/zinc/95/85/92/1039958592.db2.gz ICWCRTQGYVFNBN-AWEZNQCLSA-N 1 0 314.385 4.187 20 5 DIBDRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272093712 1040003374 /nfs/dbraw/zinc/00/33/74/1040003374.db2.gz XZXUTDDLBXVHIV-AWEZNQCLSA-N 1 0 313.401 4.138 20 5 DIBDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000492935815 1040042711 /nfs/dbraw/zinc/04/27/11/1040042711.db2.gz IAWFNZGLGBKUTP-CYBMUJFWSA-N 1 0 302.349 4.017 20 5 DIBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000612173514 1040474555 /nfs/dbraw/zinc/47/45/55/1040474555.db2.gz YUXMVHRFTZSDHC-OAHLLOKOSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1cccc([C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000612174327 1040478882 /nfs/dbraw/zinc/47/88/82/1040478882.db2.gz RITRKGDJFCPIHE-OAHLLOKOSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414282424 1041077889 /nfs/dbraw/zinc/07/78/89/1041077889.db2.gz NTAZAYJVMUPLOD-VXGBXAGGSA-N 1 0 318.339 4.094 20 5 DIBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000186757466 1041174479 /nfs/dbraw/zinc/17/44/79/1041174479.db2.gz SPIJPMRUGKKYGD-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CCOc1cccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000180708022 1041197984 /nfs/dbraw/zinc/19/79/84/1041197984.db2.gz RAAUWBGYLWEWFV-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO COCCOCC[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000809789855 1041258849 /nfs/dbraw/zinc/25/88/49/1041258849.db2.gz KDXGZUAJSNHZRH-UHFFFAOYSA-N 1 0 323.436 4.088 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC2(CCC2)C1 ZINC000809953069 1041284552 /nfs/dbraw/zinc/28/45/52/1041284552.db2.gz FRCYLONFLZOMKI-UHFFFAOYSA-N 1 0 315.200 4.278 20 5 DIBDRO Cc1ccc2cc(CN(C)Cc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000189667120 1041323772 /nfs/dbraw/zinc/32/37/72/1041323772.db2.gz AKOOZNCHBQTTSI-UHFFFAOYSA-N 1 0 321.380 4.083 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000122293115 1041387796 /nfs/dbraw/zinc/38/77/96/1041387796.db2.gz ISLGBNIXDUKGCZ-QGZVFWFLSA-N 1 0 314.360 4.210 20 5 DIBDRO CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000811483997 1041521718 /nfs/dbraw/zinc/52/17/18/1041521718.db2.gz UFXLYFSSIYFLMB-UHFFFAOYSA-N 1 0 303.189 4.181 20 5 DIBDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811493683 1041524167 /nfs/dbraw/zinc/52/41/67/1041524167.db2.gz MZBAXHNNXIUTQL-GZMMTYOYSA-N 1 0 303.189 4.180 20 5 DIBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000481086850 1041525229 /nfs/dbraw/zinc/52/52/29/1041525229.db2.gz CWLFOZCTYVZWHX-DGCLKSJQSA-N 1 0 317.389 4.040 20 5 DIBDRO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000811475624 1041527439 /nfs/dbraw/zinc/52/74/39/1041527439.db2.gz ISDYJZINMBKGSB-QMMMGPOBSA-N 1 0 303.189 4.037 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000417327066 1041656924 /nfs/dbraw/zinc/65/69/24/1041656924.db2.gz GTQJAVXTXGXBEG-VHDGCEQUSA-N 1 0 316.426 4.247 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000417354023 1041662703 /nfs/dbraw/zinc/66/27/03/1041662703.db2.gz YORBBUWZZDZJCZ-GVAFMPQTSA-N 1 0 316.426 4.499 20 5 DIBDRO Cc1ccc2oc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2c1 ZINC000566500184 1041696499 /nfs/dbraw/zinc/69/64/99/1041696499.db2.gz FDBFDHGVBVCKGS-QGZVFWFLSA-N 1 0 322.364 4.427 20 5 DIBDRO Cc1nnsc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000813790107 1041732876 /nfs/dbraw/zinc/73/28/76/1041732876.db2.gz GXTWYYQHAKQYQF-UHFFFAOYSA-N 1 0 319.433 4.443 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)cs1 ZINC000110633015 1041802355 /nfs/dbraw/zinc/80/23/55/1041802355.db2.gz OACCNLFNWXBINB-INIZCTEOSA-N 1 0 316.426 4.254 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1F ZINC000814642623 1041846566 /nfs/dbraw/zinc/84/65/66/1041846566.db2.gz JRMQIEVYAVOZPU-MRXNPFEDSA-N 1 0 314.360 4.114 20 5 DIBDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000815580485 1041965512 /nfs/dbraw/zinc/96/55/12/1041965512.db2.gz LEFAYFIIUPJVMQ-KBPBESRZSA-N 1 0 313.401 4.206 20 5 DIBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963622 1042053656 /nfs/dbraw/zinc/05/36/56/1042053656.db2.gz GOMCUETYEJLHJX-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO O[C@@H]1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000816667454 1042078351 /nfs/dbraw/zinc/07/83/51/1042078351.db2.gz NSIFIEAESORHOL-GOSISDBHSA-N 1 0 305.421 4.340 20 5 DIBDRO CON1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000817418681 1042108561 /nfs/dbraw/zinc/10/85/61/1042108561.db2.gz BLBSIBPZACYARZ-UHFFFAOYSA-N 1 0 320.436 4.108 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000072928425 1042191241 /nfs/dbraw/zinc/19/12/41/1042191241.db2.gz OMSSDWZORBNRHK-UHFFFAOYSA-N 1 0 316.323 4.053 20 5 DIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453070174 1042218077 /nfs/dbraw/zinc/21/80/77/1042218077.db2.gz MUZPTAGYOMIQAB-CABCVRRESA-N 1 0 313.401 4.052 20 5 DIBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001171019855 1042327400 /nfs/dbraw/zinc/32/74/00/1042327400.db2.gz XRNUWANITMOLBX-JKSUJKDBSA-N 1 0 316.426 4.424 20 5 DIBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001171019524 1042327955 /nfs/dbraw/zinc/32/79/55/1042327955.db2.gz XRNUWANITMOLBX-CVEARBPZSA-N 1 0 316.426 4.424 20 5 DIBDRO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000433239095 1042461376 /nfs/dbraw/zinc/46/13/76/1042461376.db2.gz JAFOLIIEFPWXFP-RNCFNFMXSA-N 1 0 316.323 4.105 20 5 DIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433294400 1042465466 /nfs/dbraw/zinc/46/54/66/1042465466.db2.gz LRRCOKGJERTCBI-NHYWBVRUSA-N 1 0 324.371 4.485 20 5 DIBDRO Cn1cc(C[NH2+]Cc2c3ccccc3cc3ccccc32)cn1 ZINC000067223474 1042474995 /nfs/dbraw/zinc/47/49/95/1042474995.db2.gz MTDGKNQFXWYEBK-UHFFFAOYSA-N 1 0 301.393 4.016 20 5 DIBDRO Nc1ccc(F)c(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c1 ZINC001211837102 1042519039 /nfs/dbraw/zinc/51/90/39/1042519039.db2.gz ALASAUUMURHPQB-UHFFFAOYSA-N 1 0 318.355 4.435 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951792 1042616312 /nfs/dbraw/zinc/61/63/12/1042616312.db2.gz RCVCNVMPUWBSCR-NWDGAFQWSA-N 1 0 316.323 4.320 20 5 DIBDRO Cc1oc2ccccc2c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183912870 1042684479 /nfs/dbraw/zinc/68/44/79/1042684479.db2.gz SMJRYWXTSKRCPT-UHFFFAOYSA-N 1 0 310.353 4.248 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cc(C)cc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC000423478285 1042714898 /nfs/dbraw/zinc/71/48/98/1042714898.db2.gz LAFNRYZONXJIBD-SFHVURJKSA-N 1 0 313.401 4.116 20 5 DIBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000514184801 1042771369 /nfs/dbraw/zinc/77/13/69/1042771369.db2.gz ZERMNAGVYXJHRQ-LJQANCHMSA-N 1 0 310.397 4.110 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000515137905 1042810594 /nfs/dbraw/zinc/81/05/94/1042810594.db2.gz IYFJDXARXZQHGE-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000515503101 1042824182 /nfs/dbraw/zinc/82/41/82/1042824182.db2.gz UTQGMKBBDRYJRT-INIZCTEOSA-N 1 0 318.417 4.148 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000266430270 1042952390 /nfs/dbraw/zinc/95/23/90/1042952390.db2.gz DBZCWPGYCHYNST-DOMZBBRYSA-N 1 0 314.410 4.483 20 5 DIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000120859028 1042985361 /nfs/dbraw/zinc/98/53/61/1042985361.db2.gz JPYYVXDHJCEKEF-IINYFYTJSA-N 1 0 320.439 4.372 20 5 DIBDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000441342238 1043039391 /nfs/dbraw/zinc/03/93/91/1043039391.db2.gz YDMKJBPULBSCJG-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000176812695 1043100398 /nfs/dbraw/zinc/10/03/98/1043100398.db2.gz QGTZWZVEKCWVRU-KDOFPFPSSA-N 1 0 313.401 4.080 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000178134377 1043123070 /nfs/dbraw/zinc/12/30/70/1043123070.db2.gz QVPIPZMOVIHTST-KBPBESRZSA-N 1 0 316.405 4.092 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649392 1043135043 /nfs/dbraw/zinc/13/50/43/1043135043.db2.gz KEIHGVVPZULQTE-PIGZYNQJSA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183957501 1043174183 /nfs/dbraw/zinc/17/41/83/1043174183.db2.gz PBJXTYRIZYZBIT-OLZOCXBDSA-N 1 0 319.430 4.156 20 5 DIBDRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266841739 1043175520 /nfs/dbraw/zinc/17/55/20/1043175520.db2.gz GYOQPKIIUMUMAD-ZIAGYGMSSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)C(C)(F)F)cccc1[N+](=O)[O-] ZINC000866541796 1043220980 /nfs/dbraw/zinc/22/09/80/1043220980.db2.gz AQEVAUVWIKQBHB-LLVKDONJSA-N 1 0 300.349 4.235 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000866607006 1043232476 /nfs/dbraw/zinc/23/24/76/1043232476.db2.gz MJQNPINDASVUBQ-ZLKJLUDKSA-N 1 0 314.307 4.143 20 5 DIBDRO CCCNc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000193358213 1043283828 /nfs/dbraw/zinc/28/38/28/1043283828.db2.gz VAWDMBQFJFTFLV-AWEZNQCLSA-N 1 0 313.401 4.268 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000268716620 1043324710 /nfs/dbraw/zinc/32/47/10/1043324710.db2.gz IUAQTHPDWHJIPJ-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000268716618 1043325593 /nfs/dbraw/zinc/32/55/93/1043325593.db2.gz IUAQTHPDWHJIPJ-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1cccc([N+](=O)[O-])c1 ZINC000268811583 1043333338 /nfs/dbraw/zinc/33/33/38/1043333338.db2.gz OCQZHPBTRHTCLK-OLZOCXBDSA-N 1 0 312.369 4.037 20 5 DIBDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000389587135 1043406070 /nfs/dbraw/zinc/40/60/70/1043406070.db2.gz NIMBFXITPYQUIR-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872054429 1043438120 /nfs/dbraw/zinc/43/81/20/1043438120.db2.gz VZGXUVSLBRTESY-WDEREUQCSA-N 1 0 304.312 4.367 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000872058434 1043440810 /nfs/dbraw/zinc/44/08/10/1043440810.db2.gz UNOJYXNMXUZVCW-VHSXEESVSA-N 1 0 316.373 4.155 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000872058432 1043441337 /nfs/dbraw/zinc/44/13/37/1043441337.db2.gz UNOJYXNMXUZVCW-NXEZZACHSA-N 1 0 316.373 4.155 20 5 DIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cccc([N+](=O)[O-])c1C ZINC000442878815 1043447739 /nfs/dbraw/zinc/44/77/39/1043447739.db2.gz UZHBDGNBGDJKEH-UHFFFAOYSA-N 1 0 323.396 4.407 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000872082500 1043453775 /nfs/dbraw/zinc/45/37/75/1043453775.db2.gz XEAAQOMAJQQONO-NXEZZACHSA-N 1 0 318.389 4.259 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872276850 1043488105 /nfs/dbraw/zinc/48/81/05/1043488105.db2.gz MYVQFQVLEYIMSS-KSSFIOAISA-N 1 0 318.417 4.079 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872276849 1043488720 /nfs/dbraw/zinc/48/87/20/1043488720.db2.gz MYVQFQVLEYIMSS-KDOFPFPSSA-N 1 0 318.417 4.079 20 5 DIBDRO CSc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000558486009 1043520227 /nfs/dbraw/zinc/52/02/27/1043520227.db2.gz PPEZEKFKVCCNJJ-UHFFFAOYSA-N 1 0 322.455 4.403 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000749839471 1043533560 /nfs/dbraw/zinc/53/35/60/1043533560.db2.gz CESIRSGHMAEJPS-STQMWFEESA-N 1 0 302.349 4.188 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(C)c1 ZINC000353501374 1043611392 /nfs/dbraw/zinc/61/13/92/1043611392.db2.gz HXCFOKFQQVMLED-QGZVFWFLSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCSC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000927040096 1043672494 /nfs/dbraw/zinc/67/24/94/1043672494.db2.gz WUJODSIXRIUKHZ-UONOGXRCSA-N 1 0 320.458 4.372 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3cccnc31)CCC2 ZINC000927061785 1043678314 /nfs/dbraw/zinc/67/83/14/1043678314.db2.gz SPXDAFLFNUJMKZ-QZTJIDSGSA-N 1 0 323.396 4.034 20 5 DIBDRO C[C@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(C)CC1 ZINC000559107187 1043701610 /nfs/dbraw/zinc/70/16/10/1043701610.db2.gz DMOXRKKMOMXDDI-JTQLQIEISA-N 1 0 316.323 4.234 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000291304386 1044055730 /nfs/dbraw/zinc/05/57/30/1044055730.db2.gz SQKVMNRZGCZPHP-SJCJKPOMSA-N 1 0 312.369 4.029 20 5 DIBDRO COCC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000932176704 1044107866 /nfs/dbraw/zinc/10/78/66/1044107866.db2.gz ABQUAUUSZGCOMG-KDOFPFPSSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000932559979 1044142404 /nfs/dbraw/zinc/14/24/04/1044142404.db2.gz PARBVBPLJIXZHZ-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO Cc1cccnc1[C@H](NCc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000934293458 1044236227 /nfs/dbraw/zinc/23/62/27/1044236227.db2.gz WIKPGBJALBXVCU-HNNXBMFYSA-N 1 0 319.430 4.237 20 5 DIBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000475155804 1044288290 /nfs/dbraw/zinc/28/82/90/1044288290.db2.gz KVFZOIAMOUAZIZ-UONOGXRCSA-N 1 0 317.389 4.040 20 5 DIBDRO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186219476 1044307064 /nfs/dbraw/zinc/30/70/64/1044307064.db2.gz CEQXCXQGCDOGRO-NWDGAFQWSA-N 1 0 320.414 4.385 20 5 DIBDRO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186219419 1044307107 /nfs/dbraw/zinc/30/71/07/1044307107.db2.gz CEQXCXQGCDOGRO-NEPJUHHUSA-N 1 0 320.414 4.385 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000035256531 1044320468 /nfs/dbraw/zinc/32/04/68/1044320468.db2.gz ICXNPMGCBOLDCF-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000475226458 1044327960 /nfs/dbraw/zinc/32/79/60/1044327960.db2.gz YRSAQGIYKUKPIV-LBPRGKRZSA-N 1 0 312.360 4.207 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001202560097 1044350009 /nfs/dbraw/zinc/35/00/09/1044350009.db2.gz AJPCERLSWBRWCJ-PKOBYXMFSA-N 1 0 310.397 4.268 20 5 DIBDRO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000294581918 1044433628 /nfs/dbraw/zinc/43/36/28/1044433628.db2.gz MREJPUMADKEWLQ-CQSZACIVSA-N 1 0 313.401 4.272 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)s1 ZINC000566002311 1044468790 /nfs/dbraw/zinc/46/87/90/1044468790.db2.gz GVCZBOHFECRMMO-NWDGAFQWSA-N 1 0 320.389 4.304 20 5 DIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000567272209 1044553986 /nfs/dbraw/zinc/55/39/86/1044553986.db2.gz HMHPFLQPNKJHOB-NSHDSACASA-N 1 0 315.398 4.031 20 5 DIBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(F)(F)F ZINC000840960562 1044570832 /nfs/dbraw/zinc/57/08/32/1044570832.db2.gz OOXPODAJODNBPT-VIFPVBQESA-N 1 0 324.730 4.316 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444669355 1044598252 /nfs/dbraw/zinc/59/82/52/1044598252.db2.gz FEKCCUMCSQINAF-HNNXBMFYSA-N 1 0 310.397 4.319 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000568067667 1044601905 /nfs/dbraw/zinc/60/19/05/1044601905.db2.gz DDLIXWGJXMRBQY-DFQSSKMNSA-N 1 0 322.408 4.146 20 5 DIBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000886064633 1044604720 /nfs/dbraw/zinc/60/47/20/1044604720.db2.gz GNIXHBMUFHKOBH-KRWDZBQOSA-N 1 0 311.385 4.011 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444708411 1044610733 /nfs/dbraw/zinc/61/07/33/1044610733.db2.gz QSCUDNFBSPOHGQ-RYUDHWBXSA-N 1 0 316.323 4.239 20 5 DIBDRO Cc1cccc([C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000886111485 1044615085 /nfs/dbraw/zinc/61/50/85/1044615085.db2.gz CFKPQBOTDGPZJR-MRXNPFEDSA-N 1 0 313.401 4.175 20 5 DIBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886111650 1044616283 /nfs/dbraw/zinc/61/62/83/1044616283.db2.gz GEIPLECLJHOTJV-KRWDZBQOSA-N 1 0 313.401 4.175 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523790732 1044685839 /nfs/dbraw/zinc/68/58/39/1044685839.db2.gz XGLDCEMPHYDTOB-QAPCUYQASA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000524425724 1044839902 /nfs/dbraw/zinc/83/99/02/1044839902.db2.gz CGMJAWZNVOFYFC-GFCCVEGCSA-N 1 0 320.339 4.109 20 5 DIBDRO CC(C)([NH2+]Cc1ccnc2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000574621233 1044961562 /nfs/dbraw/zinc/96/15/62/1044961562.db2.gz JEFSGMHGMUXTOV-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CC2)CC1 ZINC000446974921 1045076949 /nfs/dbraw/zinc/07/69/49/1045076949.db2.gz MXEISMARUVRFHR-CQSZACIVSA-N 1 0 302.418 4.228 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3occc32)cccc1[N+](=O)[O-] ZINC000152255627 1045077216 /nfs/dbraw/zinc/07/72/16/1045077216.db2.gz GDDWHSUJSQPCSX-SWLSCSKDSA-N 1 0 300.358 4.224 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000447594168 1045156744 /nfs/dbraw/zinc/15/67/44/1045156744.db2.gz XINLSCRSVJEVEQ-KRWDZBQOSA-N 1 0 314.429 4.228 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCc2cccc(F)c2F)cccc1[N+](=O)[O-] ZINC000557267936 1045163430 /nfs/dbraw/zinc/16/34/30/1045163430.db2.gz KGAMSQRRYTYWJT-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO C[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000577966985 1045193678 /nfs/dbraw/zinc/19/36/78/1045193678.db2.gz IKWQPOCSPQYHGU-KNSYAOBUSA-N 1 0 322.408 4.391 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3ncccc32)cc1[N+](=O)[O-] ZINC000601271830 1045209151 /nfs/dbraw/zinc/20/91/51/1045209151.db2.gz UXBAUTCSUQESPQ-DYVFJYSZSA-N 1 0 311.385 4.026 20 5 DIBDRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000601297756 1045211997 /nfs/dbraw/zinc/21/19/97/1045211997.db2.gz DBMPQOQFUPJCNY-MEBBXXQBSA-N 1 0 317.414 4.088 20 5 DIBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000601298628 1045212729 /nfs/dbraw/zinc/21/27/29/1045212729.db2.gz PCMDQLCNLKDQQH-RYUDHWBXSA-N 1 0 319.430 4.032 20 5 DIBDRO Cc1scc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1C ZINC000601292223 1045212931 /nfs/dbraw/zinc/21/29/31/1045212931.db2.gz MDXGZHRKHZHZKF-HNNXBMFYSA-N 1 0 302.399 4.050 20 5 DIBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000601298665 1045214185 /nfs/dbraw/zinc/21/41/85/1045214185.db2.gz QBGBRVIKTUBQKR-WDEREUQCSA-N 1 0 305.403 4.080 20 5 DIBDRO Cc1cc2cc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2[nH]1 ZINC000578642921 1045260306 /nfs/dbraw/zinc/26/03/06/1045260306.db2.gz GUZKKVACCRTPJR-SFHVURJKSA-N 1 0 321.380 4.162 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C2CC2)cc1 ZINC000579024857 1045289534 /nfs/dbraw/zinc/28/95/34/1045289534.db2.gz TWYXNDCBVSGXQR-SFHVURJKSA-N 1 0 308.381 4.249 20 5 DIBDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000779198447 1045369174 /nfs/dbraw/zinc/36/91/74/1045369174.db2.gz YEUZRRRXCWSORX-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(C2CC2)c1 ZINC000449352581 1045380827 /nfs/dbraw/zinc/38/08/27/1045380827.db2.gz VOTMGVYZKHZRMB-GFCCVEGCSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449357528 1045385471 /nfs/dbraw/zinc/38/54/71/1045385471.db2.gz AWYQLPPOXGLNJR-LOWVWBTDSA-N 1 0 316.323 4.146 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000450676667 1045550079 /nfs/dbraw/zinc/55/00/79/1045550079.db2.gz QHCZFFTZNYTBSZ-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC(F)(F)CC2)cc1Cl ZINC000800535413 1045639463 /nfs/dbraw/zinc/63/94/63/1045639463.db2.gz AHSFYVZSSWBINO-UHFFFAOYSA-N 1 0 318.751 4.163 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3cccc(F)c3)CC2)c1 ZINC000752094853 1045658258 /nfs/dbraw/zinc/65/82/58/1045658258.db2.gz WPDCSCJXUUQTRM-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)cc1 ZINC000752090097 1045658355 /nfs/dbraw/zinc/65/83/55/1045658355.db2.gz SMQXSWWLQCDMGM-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000752092822 1045658665 /nfs/dbraw/zinc/65/86/65/1045658665.db2.gz FJBKIGHBTASNML-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000801517761 1045727291 /nfs/dbraw/zinc/72/72/91/1045727291.db2.gz KWFQNCOKBDIOAQ-AWEZNQCLSA-N 1 0 316.376 4.105 20 5 DIBDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801514528 1045729069 /nfs/dbraw/zinc/72/90/69/1045729069.db2.gz VZIOFXAHWDFWNJ-UHFFFAOYSA-N 1 0 320.339 4.284 20 5 DIBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCc2ccccc21 ZINC000801523284 1045731862 /nfs/dbraw/zinc/73/18/62/1045731862.db2.gz NUZDLFWERMMDGP-SFHVURJKSA-N 1 0 314.360 4.075 20 5 DIBDRO COC1CCC(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000531171299 1045796924 /nfs/dbraw/zinc/79/69/24/1045796924.db2.gz IQDXQSJVCOHFAY-UHFFFAOYSA-N 1 0 320.433 4.013 20 5 DIBDRO CC(F)(F)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000296007901 1045817336 /nfs/dbraw/zinc/81/73/36/1045817336.db2.gz LJIMTTWPJQBWTE-UHFFFAOYSA-N 1 0 313.131 4.037 20 5 DIBDRO CC(C)C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000520172295 1045858599 /nfs/dbraw/zinc/85/85/99/1045858599.db2.gz ALGZFOQYOCHWBO-UHFFFAOYSA-N 1 0 304.415 4.315 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000531758693 1045918483 /nfs/dbraw/zinc/91/84/83/1045918483.db2.gz BJEXPKISHUARJC-ZDUSSCGKSA-N 1 0 312.360 4.386 20 5 DIBDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000453173578 1045965007 /nfs/dbraw/zinc/96/50/07/1045965007.db2.gz ZBOWEVNPIPKAPU-GJZGRUSLSA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000453232006 1045997569 /nfs/dbraw/zinc/99/75/69/1045997569.db2.gz IYBNGLBWXWPXRP-KZULUSFZSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCCC2(F)F)cccc1[N+](=O)[O-] ZINC000453250844 1046003733 /nfs/dbraw/zinc/00/37/33/1046003733.db2.gz MUCSMVKXKGDWEQ-QWHCGFSZSA-N 1 0 312.360 4.379 20 5 DIBDRO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453327668 1046039435 /nfs/dbraw/zinc/03/94/35/1046039435.db2.gz ZPYRZQISZUJVGW-JCGIZDLHSA-N 1 0 320.433 4.087 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000532205429 1046108770 /nfs/dbraw/zinc/10/87/70/1046108770.db2.gz YIZPGGZQQNHNIZ-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO CCOc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532207291 1046109731 /nfs/dbraw/zinc/10/97/31/1046109731.db2.gz KLZYMIYHLNUCFS-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO COc1cc([C@H](C)[NH2+]Cc2csc(C)c2C)cc([N+](=O)[O-])c1 ZINC000903208947 1046193926 /nfs/dbraw/zinc/19/39/26/1046193926.db2.gz BYFRSTJEQWSZLG-NSHDSACASA-N 1 0 320.414 4.133 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(Cl)nc1)c1ccccc1[N+](=O)[O-] ZINC000903246885 1046206736 /nfs/dbraw/zinc/20/67/36/1046206736.db2.gz YGVCPOQOURYVRC-NWDGAFQWSA-N 1 0 319.792 4.098 20 5 DIBDRO CC(C)[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000903246387 1046206853 /nfs/dbraw/zinc/20/68/53/1046206853.db2.gz UJOMTRUOJHTABZ-RDTXWAMCSA-N 1 0 313.401 4.080 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000903244721 1046207061 /nfs/dbraw/zinc/20/70/61/1046207061.db2.gz CAROHNVEHCUQBQ-VXGBXAGGSA-N 1 0 319.792 4.098 20 5 DIBDRO COc1c(Cl)cccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903251733 1046209038 /nfs/dbraw/zinc/20/90/38/1046209038.db2.gz XYYUHZOVVKNGMU-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000903288244 1046224207 /nfs/dbraw/zinc/22/42/07/1046224207.db2.gz VBISAHNRECJURC-MNOVXSKESA-N 1 0 321.327 4.339 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000903311867 1046233905 /nfs/dbraw/zinc/23/39/05/1046233905.db2.gz RUNCZOAMEWWVMX-FZMZJTMJSA-N 1 0 305.403 4.243 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccncc2)C2CC2)cccc1[N+](=O)[O-] ZINC000903430063 1046278827 /nfs/dbraw/zinc/27/88/27/1046278827.db2.gz XJMDVIDSIWQTRZ-UGSOOPFHSA-N 1 0 311.385 4.100 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccn1 ZINC000610810433 1046374128 /nfs/dbraw/zinc/37/41/28/1046374128.db2.gz IQPQGURTCHIFFO-RDTXWAMCSA-N 1 0 313.401 4.490 20 5 DIBDRO CC(C)(CC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000780587423 1046395913 /nfs/dbraw/zinc/39/59/13/1046395913.db2.gz MTMWLQPKQSGYPA-UHFFFAOYSA-N 1 0 310.703 4.069 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000748820108 1046405995 /nfs/dbraw/zinc/40/59/95/1046405995.db2.gz CLOOZZLNKXKHQK-MRXNPFEDSA-N 1 0 302.349 4.283 20 5 DIBDRO C[C@@H](C[NH2+]C1CCC(C(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000897463736 1046438239 /nfs/dbraw/zinc/43/82/39/1046438239.db2.gz HWGAHAHWGRZMHR-HIFPTAJRSA-N 1 0 312.360 4.112 20 5 DIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000261441553 1046549571 /nfs/dbraw/zinc/54/95/71/1046549571.db2.gz BSQLTSBCHSAFQW-HNNXBMFYSA-N 1 0 302.399 4.302 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)cc1Cl ZINC000783570414 1046610080 /nfs/dbraw/zinc/61/00/80/1046610080.db2.gz GNGVASYHSWBQGS-HNNXBMFYSA-N 1 0 316.788 4.065 20 5 DIBDRO CC(C)[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774580 1046685095 /nfs/dbraw/zinc/68/50/95/1046685095.db2.gz YJBIQWZTVJZGQP-UHFFFAOYSA-N 1 0 308.378 4.206 20 5 DIBDRO CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC(F)(F)CC1 ZINC000784620896 1046701469 /nfs/dbraw/zinc/70/14/69/1046701469.db2.gz CRBOTBBMAOYQTK-UHFFFAOYSA-N 1 0 318.751 4.306 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000303170834 1046885429 /nfs/dbraw/zinc/88/54/29/1046885429.db2.gz BKEFSJSMSFQELN-KRWDZBQOSA-N 1 0 318.417 4.147 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000303738874 1046954060 /nfs/dbraw/zinc/95/40/60/1046954060.db2.gz HRAJESARHQLOHM-WBVHZDCISA-N 1 0 310.397 4.281 20 5 DIBDRO CC[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000828703975 1047013200 /nfs/dbraw/zinc/01/32/00/1047013200.db2.gz MQYXCFSCZHDGAE-STQMWFEESA-N 1 0 317.216 4.219 20 5 DIBDRO CC(C)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116062340 1047103284 /nfs/dbraw/zinc/10/32/84/1047103284.db2.gz QSHYKFBMWTUESC-UHFFFAOYSA-N 1 0 308.765 4.254 20 5 DIBDRO Cc1c[nH+]c2ccccc2c1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001116271244 1047125532 /nfs/dbraw/zinc/12/55/32/1047125532.db2.gz ALLTZHOMFDNUHB-UHFFFAOYSA-N 1 0 319.364 4.014 20 5 DIBDRO CCc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc2[nH+]1 ZINC001116356967 1047132195 /nfs/dbraw/zinc/13/21/95/1047132195.db2.gz ZMORFXQFOGRGPQ-UHFFFAOYSA-N 1 0 319.364 4.226 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C/C=C/C2CC2)c2ccccc2)c1 ZINC001117751640 1047240352 /nfs/dbraw/zinc/24/03/52/1047240352.db2.gz VAPSIULLRPKDGM-ZMBJWTFHSA-N 1 0 308.381 4.240 20 5 DIBDRO C[C@@]1(O)CC[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1F ZINC001141722711 1047276014 /nfs/dbraw/zinc/27/60/14/1047276014.db2.gz FXGCCPGTRXMZPQ-LEWJYISDSA-N 1 0 323.411 4.288 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH+]1CC2(C1)CCCO2 ZINC001141722778 1047276246 /nfs/dbraw/zinc/27/62/46/1047276246.db2.gz IUEYNPOXTWMQBF-UHFFFAOYSA-N 1 0 303.405 4.358 20 5 DIBDRO C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCC1=O ZINC001141722712 1047276652 /nfs/dbraw/zinc/27/66/52/1047276652.db2.gz FYPSWDNXIVLPOV-HNNXBMFYSA-N 1 0 303.405 4.404 20 5 DIBDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141722908 1047278310 /nfs/dbraw/zinc/27/83/10/1047278310.db2.gz JTCNXBZBTATBQG-HXUWFJFHSA-N 1 0 319.404 4.130 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CN1CC([NH+]2CCCC2)C1 ZINC001141727966 1047280852 /nfs/dbraw/zinc/28/08/52/1047280852.db2.gz JMTOPPRWUGRWSH-UHFFFAOYSA-N 1 0 316.448 4.273 20 5 DIBDRO CN1CC[C@@H]([N@H+](C)Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727931 1047281414 /nfs/dbraw/zinc/28/14/14/1047281414.db2.gz ILEJIAZCVRSRMP-GOSISDBHSA-N 1 0 304.437 4.129 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001118559216 1047301472 /nfs/dbraw/zinc/30/14/72/1047301472.db2.gz VHYLSAUFMWQBOS-HNNXBMFYSA-N 1 0 306.312 4.114 20 5 DIBDRO Cc1ccc([C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000612173513 1047358471 /nfs/dbraw/zinc/35/84/71/1047358471.db2.gz YUXMVHRFTZSDHC-HNNXBMFYSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512039 1047387232 /nfs/dbraw/zinc/38/72/32/1047387232.db2.gz PZLLSHHWUOJPME-SGTLLEGYSA-N 1 0 314.360 4.147 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000089512288 1047387547 /nfs/dbraw/zinc/38/75/47/1047387547.db2.gz WIRRVCGARDNCCB-QGZVFWFLSA-N 1 0 314.385 4.234 20 5 DIBDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512034 1047392314 /nfs/dbraw/zinc/39/23/14/1047392314.db2.gz PZLLSHHWUOJPME-KPZWWZAWSA-N 1 0 314.360 4.147 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000537978841 1047648695 /nfs/dbraw/zinc/64/86/95/1047648695.db2.gz IUQUNHOGFSLFEX-SPKLELGKSA-N 1 0 310.397 4.487 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000537946651 1047648817 /nfs/dbraw/zinc/64/88/17/1047648817.db2.gz NQEFNEUVWFCWDC-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO CCC(CC)[C@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000537946149 1047649028 /nfs/dbraw/zinc/64/90/28/1047649028.db2.gz QSYUXMPFQAIJNF-DYVFJYSZSA-N 1 0 308.422 4.087 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000537946650 1047649075 /nfs/dbraw/zinc/64/90/75/1047649075.db2.gz NQEFNEUVWFCWDC-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CSc2ccccc21 ZINC000538400308 1047672213 /nfs/dbraw/zinc/67/22/13/1047672213.db2.gz OINGZALERZKWRZ-KEDPEKRHSA-N 1 0 312.394 4.045 20 5 DIBDRO COC1CCC(C)(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000479456302 1047898543 /nfs/dbraw/zinc/89/85/43/1047898543.db2.gz UKIBHDUHHBYXBY-MXWWQKGMSA-N 1 0 320.433 4.149 20 5 DIBDRO C[C@@H]([NH2+]CCCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000479514321 1047916858 /nfs/dbraw/zinc/91/68/58/1047916858.db2.gz WCRXFHHIDUILNM-CYBMUJFWSA-N 1 0 302.349 4.017 20 5 DIBDRO CC[NH2+]Cc1cccc(Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001159962469 1047958434 /nfs/dbraw/zinc/95/84/34/1047958434.db2.gz LBWZYCGPXWJPNA-UHFFFAOYSA-N 1 0 305.765 4.101 20 5 DIBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001184047064 1047995840 /nfs/dbraw/zinc/99/58/40/1047995840.db2.gz ZWPCZYPPMGOFKF-NVXWUHKLSA-N 1 0 312.413 4.309 20 5 DIBDRO CC(C)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001199118658 1048038579 /nfs/dbraw/zinc/03/85/79/1048038579.db2.gz PZLBDKYOHUGSFV-UHFFFAOYSA-N 1 0 302.374 4.381 20 5 DIBDRO CC1(C)CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001203194808 1048039066 /nfs/dbraw/zinc/03/90/66/1048039066.db2.gz OPIBSAXQAOUDSR-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)cccc1[N+](=O)[O-] ZINC000480086083 1048047694 /nfs/dbraw/zinc/04/76/94/1048047694.db2.gz WLQGMBWNSXIYCZ-GXTWGEPZSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1ccc2cc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC001199413041 1048063839 /nfs/dbraw/zinc/06/38/39/1048063839.db2.gz KWBAJBVXEDALLO-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO Cc1cc(NCCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])s1 ZINC001184873327 1048100647 /nfs/dbraw/zinc/10/06/47/1048100647.db2.gz BHXHROJHXGCZJG-GFCCVEGCSA-N 1 0 311.451 4.031 20 5 DIBDRO C/C=C\C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001175055254 1048114452 /nfs/dbraw/zinc/11/44/52/1048114452.db2.gz WAHPGZXJJWONPE-ZRMMWKCHSA-N 1 0 308.809 4.426 20 5 DIBDRO CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC001200864832 1048149425 /nfs/dbraw/zinc/14/94/25/1048149425.db2.gz YXCPFDPLLWFYRI-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO CCS[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001200924020 1048157642 /nfs/dbraw/zinc/15/76/42/1048157642.db2.gz YHBYYSKKXGMKLX-GJZGRUSLSA-N 1 0 308.447 4.057 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000480673069 1048213181 /nfs/dbraw/zinc/21/31/81/1048213181.db2.gz QITAEXUWZQUQCH-GWCFXTLKSA-N 1 0 304.312 4.224 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CC1CCCCCC1 ZINC001201695338 1048346605 /nfs/dbraw/zinc/34/66/05/1048346605.db2.gz YBIQPPJKTIIXMZ-UHFFFAOYSA-N 1 0 310.825 4.351 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCc2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000481319230 1048365592 /nfs/dbraw/zinc/36/55/92/1048365592.db2.gz XFJRALNOQKYADD-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cc3ccccc3s2)cs1 ZINC000555619118 1048409804 /nfs/dbraw/zinc/40/98/04/1048409804.db2.gz ZLTNQPLOWXDSRU-UHFFFAOYSA-N 1 0 318.423 4.203 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C(C)C)C(C)C ZINC001202058294 1048432024 /nfs/dbraw/zinc/43/20/24/1048432024.db2.gz NNTZXSKVFFRPFG-UHFFFAOYSA-N 1 0 308.422 4.011 20 5 DIBDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001175898473 1048477726 /nfs/dbraw/zinc/47/77/26/1048477726.db2.gz RICHIHLFOMKVCW-GDBMZVCRSA-N 1 0 310.397 4.366 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C(F)F ZINC000850443117 1048658315 /nfs/dbraw/zinc/65/83/15/1048658315.db2.gz AXGGBSGVPDQWNG-QMMMGPOBSA-N 1 0 306.740 4.018 20 5 DIBDRO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000775393159 1048746594 /nfs/dbraw/zinc/74/65/94/1048746594.db2.gz FQGXYYPAIOAKCA-KRWDZBQOSA-N 1 0 302.349 4.149 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001190529543 1048750841 /nfs/dbraw/zinc/75/08/41/1048750841.db2.gz SNWOFUYIDKAJGO-QLPKVWCKSA-N 1 0 320.433 4.009 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCNc2ccccc2)cc1[N+](=O)[O-] ZINC000483190923 1048753616 /nfs/dbraw/zinc/75/36/16/1048753616.db2.gz CRKNSOLCNGGESC-HNNXBMFYSA-N 1 0 313.401 4.056 20 5 DIBDRO CC(C)(C)c1ccc2c(c1)CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC001190699558 1048773298 /nfs/dbraw/zinc/77/32/98/1048773298.db2.gz JOQSGLHYBINDKZ-UHFFFAOYSA-N 1 0 324.424 4.451 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000483611776 1048825151 /nfs/dbraw/zinc/82/51/51/1048825151.db2.gz FGQVIONHBZCGDP-OCCSQVGLSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001177328990 1048872288 /nfs/dbraw/zinc/87/22/88/1048872288.db2.gz YPQYVSOIAXDHKU-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1c([C@H](C)NCCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000483865545 1048876002 /nfs/dbraw/zinc/87/60/02/1048876002.db2.gz QYQZRTMVXQIIEB-INIZCTEOSA-N 1 0 321.465 4.063 20 5 DIBDRO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001203409107 1048892174 /nfs/dbraw/zinc/89/21/74/1048892174.db2.gz TZGOXIYTPIFKIC-UHFFFAOYSA-N 1 0 316.401 4.392 20 5 DIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000484313979 1048925215 /nfs/dbraw/zinc/92/52/15/1048925215.db2.gz VKHGRKCGDCXPFB-UHOFOFEASA-N 1 0 308.447 4.310 20 5 DIBDRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000484465549 1048942423 /nfs/dbraw/zinc/94/24/23/1048942423.db2.gz HWXPGLNWEFAHRB-IVMMDQJWSA-N 1 0 308.447 4.310 20 5 DIBDRO CCO[C@H](CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000484477296 1048947645 /nfs/dbraw/zinc/94/76/45/1048947645.db2.gz XOUMCJTZXOLXFD-RDTXWAMCSA-N 1 0 320.433 4.231 20 5 DIBDRO CCO[C@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000484479378 1048949829 /nfs/dbraw/zinc/94/98/29/1048949829.db2.gz WROGMDQUNUFPGY-RDTXWAMCSA-N 1 0 320.433 4.231 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@H]1CCc3ccccc31)CC2 ZINC001191520689 1048957275 /nfs/dbraw/zinc/95/72/75/1048957275.db2.gz JNZOBBHTKPYIJR-QGZVFWFLSA-N 1 0 322.408 4.073 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCc2ccccc2)C2CC2)c1 ZINC001191682764 1048975262 /nfs/dbraw/zinc/97/52/62/1048975262.db2.gz SAQVKFVPQYXIPA-UHFFFAOYSA-N 1 0 310.397 4.192 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](CC2CC3(CCC3)C2)C2CC2)c1 ZINC001191681879 1048977149 /nfs/dbraw/zinc/97/71/49/1048977149.db2.gz JSPUOAINGRGAGJ-UHFFFAOYSA-N 1 0 300.402 4.140 20 5 DIBDRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001203734658 1048984322 /nfs/dbraw/zinc/98/43/22/1048984322.db2.gz TZPJVKGUIMLTGS-HJWRWDBZSA-N 1 0 320.776 4.476 20 5 DIBDRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001203734657 1048985029 /nfs/dbraw/zinc/98/50/29/1048985029.db2.gz TZPJVKGUIMLTGS-CMDGGOBGSA-N 1 0 320.776 4.476 20 5 DIBDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001178272285 1049010138 /nfs/dbraw/zinc/01/01/38/1049010138.db2.gz NMHCOSKMNQHKFI-CYBMUJFWSA-N 1 0 302.374 4.379 20 5 DIBDRO CSc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001203864636 1049019139 /nfs/dbraw/zinc/01/91/39/1049019139.db2.gz NOIIFYZMSQZBMA-CYBMUJFWSA-N 1 0 316.426 4.210 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C/C=C/c1ccccc1 ZINC001178326212 1049020394 /nfs/dbraw/zinc/02/03/94/1049020394.db2.gz DTXSFJRVFHVDDA-QPJJXVBHSA-N 1 0 316.788 4.094 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001178317790 1049021180 /nfs/dbraw/zinc/02/11/80/1049021180.db2.gz OOFOABGURMGYDM-AUUYWEPGSA-N 1 0 310.397 4.316 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C/C=C\c1ccccc1 ZINC001178326211 1049021216 /nfs/dbraw/zinc/02/12/16/1049021216.db2.gz DTXSFJRVFHVDDA-DAXSKMNVSA-N 1 0 316.788 4.094 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001178519162 1049050695 /nfs/dbraw/zinc/05/06/95/1049050695.db2.gz MEBFKDCRBMRBAJ-PKOBYXMFSA-N 1 0 324.424 4.404 20 5 DIBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001192173984 1049053775 /nfs/dbraw/zinc/05/37/75/1049053775.db2.gz NPNBACQFZOTYFL-DOMZBBRYSA-N 1 0 324.396 4.143 20 5 DIBDRO OC[C@@H]1CC[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204005533 1049059791 /nfs/dbraw/zinc/05/97/91/1049059791.db2.gz WSUWXNLBXDHLGB-OAHLLOKOSA-N 1 0 315.416 4.398 20 5 DIBDRO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C ZINC001192261327 1049069952 /nfs/dbraw/zinc/06/99/52/1049069952.db2.gz DBCXWYXXJOSJQA-QWRGUYRKSA-N 1 0 316.323 4.092 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000925490410 1049098825 /nfs/dbraw/zinc/09/88/25/1049098825.db2.gz BEUIIWCROBXNQP-RYUDHWBXSA-N 1 0 318.348 4.160 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C)c(F)c1 ZINC001192567742 1049115819 /nfs/dbraw/zinc/11/58/19/1049115819.db2.gz ZERRODUZTRQXBG-GOSISDBHSA-N 1 0 316.376 4.326 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC001192605052 1049121692 /nfs/dbraw/zinc/12/16/92/1049121692.db2.gz QSAFXFLVGMJKLU-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1c(C[NH2+]CC2CCc3ccccc3CC2)cccc1[N+](=O)[O-] ZINC001179237827 1049145638 /nfs/dbraw/zinc/14/56/38/1049145638.db2.gz BXXVBLIEHHUWEQ-UHFFFAOYSA-N 1 0 324.424 4.188 20 5 DIBDRO O=[N+]([O-])c1cccc(Nc2ccccc2C[NH+]2CCCCC2)c1 ZINC001204457350 1049165968 /nfs/dbraw/zinc/16/59/68/1049165968.db2.gz VNCXJAHGQKYZPT-UHFFFAOYSA-N 1 0 311.385 4.324 20 5 DIBDRO CCSc1ccccc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001179536875 1049174238 /nfs/dbraw/zinc/17/42/38/1049174238.db2.gz BVRJOCVIQGNRTC-UHFFFAOYSA-N 1 0 316.426 4.039 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2ccccc2)cc1 ZINC001193053267 1049175949 /nfs/dbraw/zinc/17/59/49/1049175949.db2.gz GHAQUFJMRIPDDD-IBGZPJMESA-N 1 0 310.397 4.365 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001179562780 1049177973 /nfs/dbraw/zinc/17/79/73/1049177973.db2.gz QCDUHJMBEXFURE-WCQYABFASA-N 1 0 316.323 4.006 20 5 DIBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C ZINC001193413028 1049210183 /nfs/dbraw/zinc/21/01/83/1049210183.db2.gz JWFZXHAJKWOWPB-QAPCUYQASA-N 1 0 320.433 4.264 20 5 DIBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001193459984 1049212265 /nfs/dbraw/zinc/21/22/65/1049212265.db2.gz JFFNSZZYBIAMLA-YJBOKZPZSA-N 1 0 320.433 4.264 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC001204681217 1049221385 /nfs/dbraw/zinc/22/13/85/1049221385.db2.gz ITYWLQUBJOKAGV-ZGUWOUCSSA-N 1 0 320.458 4.072 20 5 DIBDRO CC[C@H](C[N@H+](CC)Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001193593171 1049229444 /nfs/dbraw/zinc/22/94/44/1049229444.db2.gz JPMDXIHWFHAKMF-OAHLLOKOSA-N 1 0 313.401 4.006 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000858576841 1049281565 /nfs/dbraw/zinc/28/15/65/1049281565.db2.gz FRTBEXABYXSGCN-FZMZJTMJSA-N 1 0 305.403 4.243 20 5 DIBDRO COc1cc(C[N@H+](Cc2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000485716114 1049324286 /nfs/dbraw/zinc/32/42/86/1049324286.db2.gz KQUPUMMDGRNBIX-UHFFFAOYSA-N 1 0 314.385 4.014 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001194152906 1049329731 /nfs/dbraw/zinc/32/97/31/1049329731.db2.gz JMNNKDYBAVOUFQ-GUYCJALGSA-N 1 0 314.360 4.317 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCC12CCCC2 ZINC001205009045 1049340774 /nfs/dbraw/zinc/34/07/74/1049340774.db2.gz ZVEQBVLYXIXVQX-INIZCTEOSA-N 1 0 322.836 4.493 20 5 DIBDRO CSc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001180985574 1049430333 /nfs/dbraw/zinc/43/03/33/1049430333.db2.gz MEYDGUOLFSLEIE-UHFFFAOYSA-N 1 0 322.817 4.260 20 5 DIBDRO CO[C@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001205292226 1049431423 /nfs/dbraw/zinc/43/14/23/1049431423.db2.gz YGJRAPGEANMFGV-QGZVFWFLSA-N 1 0 320.433 4.015 20 5 DIBDRO C[C@@H]1CCNCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001205333102 1049440667 /nfs/dbraw/zinc/44/06/67/1049440667.db2.gz WIJUEXQWUBYOTA-MRXNPFEDSA-N 1 0 304.437 4.177 20 5 DIBDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181267156 1049458219 /nfs/dbraw/zinc/45/82/19/1049458219.db2.gz OEUCSMUQFZNCFQ-QWHCGFSZSA-N 1 0 318.421 4.022 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001181457695 1049478714 /nfs/dbraw/zinc/47/87/14/1049478714.db2.gz QRRDSOZYRTYAAM-OALUTQOASA-N 1 0 324.424 4.453 20 5 DIBDRO COc1cc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001195213888 1049497914 /nfs/dbraw/zinc/49/79/14/1049497914.db2.gz LNSXFHACOCORAI-GFCCVEGCSA-N 1 0 324.396 4.001 20 5 DIBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001205633066 1049516453 /nfs/dbraw/zinc/51/64/53/1049516453.db2.gz IGLMRZGCTQKODT-VHSXEESVSA-N 1 0 317.216 4.427 20 5 DIBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001205642869 1049520314 /nfs/dbraw/zinc/52/03/14/1049520314.db2.gz PIELQWXNMIYANM-YGRLFVJLSA-N 1 0 316.323 4.282 20 5 DIBDRO Cc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000487160615 1049521203 /nfs/dbraw/zinc/52/12/03/1049521203.db2.gz OMACJKPEEJJLGW-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC001195639029 1049548666 /nfs/dbraw/zinc/54/86/66/1049548666.db2.gz RASABOKHQZXOCR-INIZCTEOSA-N 1 0 318.417 4.018 20 5 DIBDRO C=Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001181947088 1049553215 /nfs/dbraw/zinc/55/32/15/1049553215.db2.gz XMFUAKUCPOSTEB-UHFFFAOYSA-N 1 0 316.788 4.224 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C(C)C)[C@H]1C(C)C ZINC001205788553 1049563894 /nfs/dbraw/zinc/56/38/94/1049563894.db2.gz CMAHNZCQLWJANK-CRAIPNDOSA-N 1 0 304.434 4.324 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001205875416 1049590250 /nfs/dbraw/zinc/59/02/50/1049590250.db2.gz JSOFFRDVTQLDSE-AMVALYDKSA-N 1 0 312.413 4.119 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c(Cl)c1 ZINC001182356888 1049635057 /nfs/dbraw/zinc/63/50/57/1049635057.db2.gz QDVICCZTAAITRX-WFASDCNBSA-N 1 0 308.809 4.164 20 5 DIBDRO CC1(C)CCC(C)(C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001196274523 1049637220 /nfs/dbraw/zinc/63/72/20/1049637220.db2.gz GUMWYOVAVIVLPJ-UHFFFAOYSA-N 1 0 312.360 4.274 20 5 DIBDRO CC[N@H+](CCc1cccs1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488322702 1049637927 /nfs/dbraw/zinc/63/79/27/1049637927.db2.gz KNMRYMWJIWMIDN-CYBMUJFWSA-N 1 0 304.415 4.282 20 5 DIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1=CCCCC1 ZINC001206048046 1049641540 /nfs/dbraw/zinc/64/15/40/1049641540.db2.gz OJINSBFCMDRODD-UHFFFAOYSA-N 1 0 314.307 4.204 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000175057230 1049648206 /nfs/dbraw/zinc/64/82/06/1049648206.db2.gz WSRNMOUEOQAKDB-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO CC(C)[C@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488453518 1049657559 /nfs/dbraw/zinc/65/75/59/1049657559.db2.gz ZXFSBKZICJOTTD-DOTOQJQBSA-N 1 0 322.474 4.037 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001206239186 1049687131 /nfs/dbraw/zinc/68/71/31/1049687131.db2.gz AYWJRFAKMKSLFF-WMLDXEAASA-N 1 0 304.434 4.474 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@]12C[C@H]1CCCC2 ZINC001196879758 1049694409 /nfs/dbraw/zinc/69/44/09/1049694409.db2.gz XNZYLBHYUNLSRG-GHJWDPDVSA-N 1 0 308.809 4.307 20 5 DIBDRO CC(C)[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CC=CC2 ZINC001182694397 1049702374 /nfs/dbraw/zinc/70/23/74/1049702374.db2.gz SXTNQIPVZSMBOR-MRXNPFEDSA-N 1 0 320.820 4.425 20 5 DIBDRO CC[C@H](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001206605674 1049766905 /nfs/dbraw/zinc/76/69/05/1049766905.db2.gz VQIRCEXCPPELEG-UXLLHSPISA-N 1 0 304.434 4.332 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCOc1ccccc1 ZINC000490097781 1049799318 /nfs/dbraw/zinc/79/93/18/1049799318.db2.gz BCMMLSGFNOUMKD-OAHLLOKOSA-N 1 0 314.385 4.057 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)CCc2ccsc2)cc1[N+](=O)[O-] ZINC001207152220 1049846491 /nfs/dbraw/zinc/84/64/91/1049846491.db2.gz ZPZVIDTXDMEONM-ZDUSSCGKSA-N 1 0 304.415 4.076 20 5 DIBDRO C[NH2+]CCN(C)Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001204720278 1049894102 /nfs/dbraw/zinc/89/41/02/1049894102.db2.gz CUQQXZOXKAEQKM-UHFFFAOYSA-N 1 0 312.844 4.298 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](c1cccs1)C1CC1 ZINC000571820821 1049967412 /nfs/dbraw/zinc/96/74/12/1049967412.db2.gz WTUZMRCEVVXYRK-YOEHRIQHSA-N 1 0 314.410 4.385 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000588232546 1049976440 /nfs/dbraw/zinc/97/64/40/1049976440.db2.gz MQKOYLYTOZJZKC-DUVNUKRYSA-N 1 0 324.371 4.083 20 5 DIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982852 1050016638 /nfs/dbraw/zinc/01/66/38/1050016638.db2.gz DKWHGNWAAHSCMT-BETUJISGSA-N 1 0 316.323 4.148 20 5 DIBDRO OCC1(CC[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000825040881 1050268751 /nfs/dbraw/zinc/26/87/51/1050268751.db2.gz XEQCEJANTJPFQL-UHFFFAOYSA-N 1 0 305.421 4.245 20 5 DIBDRO Cc1cccc(C2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)c1 ZINC000592146893 1050277535 /nfs/dbraw/zinc/27/75/35/1050277535.db2.gz VEIKFORSKGACOK-UHFFFAOYSA-N 1 0 302.399 4.134 20 5 DIBDRO Cc1c(C[NH2+]C2(c3cccc(F)c3)CCC2)cccc1[N+](=O)[O-] ZINC000592145637 1050278132 /nfs/dbraw/zinc/27/81/32/1050278132.db2.gz VNDMHYKGVJMGMQ-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO [NH3+]CC1CN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210546262 1050289765 /nfs/dbraw/zinc/28/97/65/1050289765.db2.gz VLXXYCNITZIYFX-UHFFFAOYSA-N 1 0 310.828 4.037 20 5 DIBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000592392496 1050291257 /nfs/dbraw/zinc/29/12/57/1050291257.db2.gz XZLPLVFZTGQSNZ-YGRLFVJLSA-N 1 0 312.360 4.198 20 5 DIBDRO C[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000735077186 1050343387 /nfs/dbraw/zinc/34/33/87/1050343387.db2.gz HFSSZYFPYXCIMB-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072475 1050383303 /nfs/dbraw/zinc/38/33/03/1050383303.db2.gz HQRKNUOIYNNMGZ-LBPRGKRZSA-N 1 0 310.344 4.085 20 5 DIBDRO CCCn1nccc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001210917334 1050412246 /nfs/dbraw/zinc/41/22/46/1050412246.db2.gz AADVYIOSSYBNTC-UHFFFAOYSA-N 1 0 317.396 4.320 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000058828875 1050427817 /nfs/dbraw/zinc/42/78/17/1050427817.db2.gz UHUKRVNCCJDSJT-UHFFFAOYSA-N 1 0 324.302 4.246 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000594517414 1050528207 /nfs/dbraw/zinc/52/82/07/1050528207.db2.gz BVBZWSGCXSORAT-HUUCEWRRSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594519337 1050531461 /nfs/dbraw/zinc/53/14/61/1050531461.db2.gz JSKQLANFEHCJCO-GOEBONIOSA-N 1 0 318.417 4.046 20 5 DIBDRO CC(C)(F)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000594973851 1050572550 /nfs/dbraw/zinc/57/25/50/1050572550.db2.gz WJUBYBFRWNVILZ-UHFFFAOYSA-N 1 0 306.337 4.083 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000059388074 1050574369 /nfs/dbraw/zinc/57/43/69/1050574369.db2.gz UCLXFLBJQKGJTJ-UHFFFAOYSA-N 1 0 316.788 4.413 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4cc(F)nc(F)c4)cc3[nH+]c2c1 ZINC001213082210 1050580507 /nfs/dbraw/zinc/58/05/07/1050580507.db2.gz FWHJRYAWLRZHRI-UHFFFAOYSA-N 1 0 322.318 4.387 20 5 DIBDRO CCc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008621 1050592472 /nfs/dbraw/zinc/59/24/72/1050592472.db2.gz OZDHDEDXTAIJCO-ZDUSSCGKSA-N 1 0 314.385 4.017 20 5 DIBDRO CCc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595046996 1050602313 /nfs/dbraw/zinc/60/23/13/1050602313.db2.gz PPKXOWHEBMKMRW-CYBMUJFWSA-N 1 0 314.385 4.017 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000595100469 1050607279 /nfs/dbraw/zinc/60/72/79/1050607279.db2.gz WFWRBLAGSPZUCI-WMEQCIOUSA-N 1 0 322.355 4.140 20 5 DIBDRO COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000595108071 1050608042 /nfs/dbraw/zinc/60/80/42/1050608042.db2.gz YHYCWILKYUNHOH-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CC(C)(F)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595082679 1050609669 /nfs/dbraw/zinc/60/96/69/1050609669.db2.gz CPYUQOMXUKZLNM-HIFRSBDPSA-N 1 0 308.397 4.034 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000595354286 1050629061 /nfs/dbraw/zinc/62/90/61/1050629061.db2.gz RSPQAJAHHPKEQR-KRWDZBQOSA-N 1 0 320.339 4.360 20 5 DIBDRO CSc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000595417694 1050630839 /nfs/dbraw/zinc/63/08/39/1050630839.db2.gz YHBBSODYANIVIQ-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]1(F)Cl ZINC000846035247 1050652905 /nfs/dbraw/zinc/65/29/05/1050652905.db2.gz TZIMNXZQSFLHCO-CHWSQXEVSA-N 1 0 321.179 4.043 20 5 DIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000059810354 1050668193 /nfs/dbraw/zinc/66/81/93/1050668193.db2.gz FSZLCCOFTGVPMW-IBGZPJMESA-N 1 0 310.397 4.283 20 5 DIBDRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000596052780 1050684190 /nfs/dbraw/zinc/68/41/90/1050684190.db2.gz YLNIZTMEIQTQRS-JTQLQIEISA-N 1 0 304.312 4.224 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1F ZINC000788480999 1050687520 /nfs/dbraw/zinc/68/75/20/1050687520.db2.gz NOIAKOXDJLFNRO-KRWDZBQOSA-N 1 0 304.365 4.056 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846186207 1050689113 /nfs/dbraw/zinc/68/91/13/1050689113.db2.gz AUDZWRWGKJQNJO-NILFDRSVSA-N 1 0 314.788 4.259 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(Cl)c1 ZINC000788488009 1050689768 /nfs/dbraw/zinc/68/97/68/1050689768.db2.gz GLDQSVVYHZTABC-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cccc1[N+](=O)[O-] ZINC000846186308 1050691326 /nfs/dbraw/zinc/69/13/26/1050691326.db2.gz BBALIJMWEXXFQR-CQDKDKBSSA-N 1 0 314.788 4.259 20 5 DIBDRO CCC[C@@H](NCc1cc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000169250933 1050704498 /nfs/dbraw/zinc/70/44/98/1050704498.db2.gz LMLKWUWZNPCUGW-MRXNPFEDSA-N 1 0 317.389 4.337 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc3[nH]ccc31)CCC2 ZINC000601320617 1050787038 /nfs/dbraw/zinc/78/70/38/1050787038.db2.gz HHSXEIDLWALKSL-IBGZPJMESA-N 1 0 321.380 4.243 20 5 DIBDRO C[N@H+](CCS/C=C\c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000789982495 1050902499 /nfs/dbraw/zinc/90/24/99/1050902499.db2.gz OFURLZKKCLQARQ-LUAWRHEFSA-N 1 0 318.398 4.024 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000037010414 1051105568 /nfs/dbraw/zinc/10/55/68/1051105568.db2.gz SMDYQNWWEBOHFJ-MRXNPFEDSA-N 1 0 304.777 4.489 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001171457338 1051139805 /nfs/dbraw/zinc/13/98/05/1051139805.db2.gz KIXWKYOBCVTFKR-HUUCEWRRSA-N 1 0 320.408 4.382 20 5 DIBDRO Cc1cccc(CCC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001170192660 1051148614 /nfs/dbraw/zinc/14/86/14/1051148614.db2.gz CZPSMXPRUDTHAW-UHFFFAOYSA-N 1 0 312.413 4.010 20 5 DIBDRO CCC1CCC([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170297941 1051177452 /nfs/dbraw/zinc/17/74/52/1051177452.db2.gz WFQBGYBTDGXSMM-VQCLRJIVSA-N 1 0 320.433 4.093 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+]CCC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170295607 1051177490 /nfs/dbraw/zinc/17/74/90/1051177490.db2.gz CHYBIYOBVBXVNT-AWEZNQCLSA-N 1 0 320.433 4.094 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+]CCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC001170304483 1051179333 /nfs/dbraw/zinc/17/93/33/1051179333.db2.gz CHSIKJDFUBKGAG-CQSZACIVSA-N 1 0 318.417 4.015 20 5 DIBDRO CCCCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305287 1051179695 /nfs/dbraw/zinc/17/96/95/1051179695.db2.gz IPEBMUWRWNHSMC-ZIAGYGMSSA-N 1 0 308.422 4.093 20 5 DIBDRO COc1ccc(C[C@H](C)[N@H+](C)[C@H]2CC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170355371 1051188179 /nfs/dbraw/zinc/18/81/79/1051188179.db2.gz BLXJRLMMBYPVLG-DZKIICNBSA-N 1 0 320.433 4.045 20 5 DIBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000792928147 1051231766 /nfs/dbraw/zinc/23/17/66/1051231766.db2.gz SFYAAJCXOFDOIQ-UHFFFAOYSA-N 1 0 302.349 4.101 20 5 DIBDRO CCCN(Cc1ccccc1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746143430 1051326868 /nfs/dbraw/zinc/32/68/68/1051326868.db2.gz GINZADCAFHKMLK-UHFFFAOYSA-N 1 0 320.339 4.285 20 5 DIBDRO [NH3+]Cc1ccc2ncn(-c3nc4ccccc4c4ccccc43)c2c1 ZINC001168846441 1051455859 /nfs/dbraw/zinc/45/58/59/1051455859.db2.gz OSDFWNKWMKXGJF-UHFFFAOYSA-N 1 0 324.387 4.186 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001168978359 1051475128 /nfs/dbraw/zinc/47/51/28/1051475128.db2.gz RHJBAVQIVYUDDS-GARJFASQSA-N 1 0 317.216 4.089 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168956595 1051479417 /nfs/dbraw/zinc/47/94/17/1051479417.db2.gz BYXLMQBVCLUKAR-HOSYDEDBSA-N 1 0 317.216 4.089 20 5 DIBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C ZINC001169042854 1051494129 /nfs/dbraw/zinc/49/41/29/1051494129.db2.gz GMVDZQSCVMWBHN-WDSOQIARSA-N 1 0 316.445 4.276 20 5 DIBDRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902103 1051551752 /nfs/dbraw/zinc/55/17/52/1051551752.db2.gz VERUMIDWBBVUBG-ZQIUZPCESA-N 1 0 304.434 4.257 20 5 DIBDRO C[C@@H]1CCC[C@@H](C)[NH+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905030 1051553045 /nfs/dbraw/zinc/55/30/45/1051553045.db2.gz BTQJKRBYSYSFGN-CKEIUWERSA-N 1 0 302.418 4.105 20 5 DIBDRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172896143 1051569101 /nfs/dbraw/zinc/56/91/01/1051569101.db2.gz MERSKHBHQWMCAO-XOKHGSTOSA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H]3CCC[C@H]31)CC2 ZINC001172916065 1051569991 /nfs/dbraw/zinc/56/99/91/1051569991.db2.gz QJIGORVIXBLBOA-SZVBFZGTSA-N 1 0 314.429 4.107 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C1CCC1)C(F)(F)F ZINC001169285300 1051570301 /nfs/dbraw/zinc/57/03/01/1051570301.db2.gz OCMAFAZZGQSEMV-INIZCTEOSA-N 1 0 315.403 4.426 20 5 DIBDRO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914187 1051570725 /nfs/dbraw/zinc/57/07/25/1051570725.db2.gz DSSUQMAUWRJXSY-IAGOWNOFSA-N 1 0 302.418 4.107 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC3(CCC3)C1)CC2 ZINC001172913198 1051582882 /nfs/dbraw/zinc/58/28/82/1051582882.db2.gz PYVMZZUNYTUCOG-KRWDZBQOSA-N 1 0 314.429 4.108 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSc2ccccc2)cc1Cl ZINC000761522429 1051584803 /nfs/dbraw/zinc/58/48/03/1051584803.db2.gz PWFQROCANRIMBL-UHFFFAOYSA-N 1 0 322.817 4.130 20 5 DIBDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522468 1051585079 /nfs/dbraw/zinc/58/50/79/1051585079.db2.gz ZCUODFGLUNDYPH-APPDUMDISA-N 1 0 316.788 4.271 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1Cl ZINC000761522409 1051585321 /nfs/dbraw/zinc/58/53/21/1051585321.db2.gz YTCLNOOUJSASPP-UHFFFAOYSA-N 1 0 316.788 4.284 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000761524111 1051585353 /nfs/dbraw/zinc/58/53/53/1051585353.db2.gz VEIAGZUJGSSLHH-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2cccc(F)c2)cc1Cl ZINC000761522215 1051588080 /nfs/dbraw/zinc/58/80/80/1051588080.db2.gz VVRPJYKSVJGODU-UHFFFAOYSA-N 1 0 322.767 4.110 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)ccc1Cl ZINC001173215693 1051633082 /nfs/dbraw/zinc/63/30/82/1051633082.db2.gz YQAHVNOIDSKZKY-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(C2CC2)c1 ZINC001173221214 1051636436 /nfs/dbraw/zinc/63/64/36/1051636436.db2.gz LOKAEUIYKPJKLD-AWEZNQCLSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1ccccc1F ZINC001173222630 1051636681 /nfs/dbraw/zinc/63/66/81/1051636681.db2.gz YCMIQSLJJAXPES-CYBMUJFWSA-N 1 0 316.376 4.190 20 5 DIBDRO C[NH2+]Cc1ccc2c(ccn2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173221432 1051636761 /nfs/dbraw/zinc/63/67/61/1051636761.db2.gz IJAQHIFWRCQZEI-CQSZACIVSA-N 1 0 323.396 4.073 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCc1ccccc1 ZINC001173221168 1051636765 /nfs/dbraw/zinc/63/67/65/1051636765.db2.gz LDROKJKXGYOXCT-MRXNPFEDSA-N 1 0 312.413 4.138 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCc1ccccc1 ZINC001173221167 1051636886 /nfs/dbraw/zinc/63/68/86/1051636886.db2.gz LDROKJKXGYOXCT-INIZCTEOSA-N 1 0 312.413 4.138 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCc2ccccc2CC1 ZINC001173223955 1051636919 /nfs/dbraw/zinc/63/69/19/1051636919.db2.gz CFRBFJBOUQGCJP-OAHLLOKOSA-N 1 0 324.424 4.063 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001173221345 1051636979 /nfs/dbraw/zinc/63/69/79/1051636979.db2.gz MHGUZNMKJYYTJX-RDTXWAMCSA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccccc2)CC1 ZINC001173220960 1051637149 /nfs/dbraw/zinc/63/71/49/1051637149.db2.gz DNMLDYLGLCMAOL-MRXNPFEDSA-N 1 0 324.424 4.405 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2)CCC1 ZINC001173220149 1051637407 /nfs/dbraw/zinc/63/74/07/1051637407.db2.gz UWULHIKBPOJYIE-HNNXBMFYSA-N 1 0 310.397 4.195 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001173221444 1051637488 /nfs/dbraw/zinc/63/74/88/1051637488.db2.gz ILVPWFGONIEELP-ZDUSSCGKSA-N 1 0 324.371 4.037 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC001173222893 1051637494 /nfs/dbraw/zinc/63/74/94/1051637494.db2.gz FVXLDKDVDUPSDQ-NWDGAFQWSA-N 1 0 320.339 4.155 20 5 DIBDRO Cc1cccc(C(C)(C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173225291 1051638316 /nfs/dbraw/zinc/63/83/16/1051638316.db2.gz RPSDVNZNYNPGAY-OAHLLOKOSA-N 1 0 312.413 4.359 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001173226767 1051638510 /nfs/dbraw/zinc/63/85/10/1051638510.db2.gz LFDVKNKYEGGHQV-LPHOPBHVSA-N 1 0 324.424 4.405 20 5 DIBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173225588 1051638574 /nfs/dbraw/zinc/63/85/74/1051638574.db2.gz SJMPDOHSLWJCLS-CVEARBPZSA-N 1 0 312.413 4.493 20 5 DIBDRO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231405 1051638772 /nfs/dbraw/zinc/63/87/72/1051638772.db2.gz CGSPINVLDPEICS-AWEZNQCLSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001173226316 1051639517 /nfs/dbraw/zinc/63/95/17/1051639517.db2.gz IDEILIOMEZKWEM-BEFAXECRSA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001173227115 1051639563 /nfs/dbraw/zinc/63/95/63/1051639563.db2.gz OEHMIHCUYFJSOY-QAPCUYQASA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001173232821 1051641306 /nfs/dbraw/zinc/64/13/06/1051641306.db2.gz IDVLISMZHJNSDM-NXVRBGIVSA-N 1 0 320.408 4.130 20 5 DIBDRO CC[N@H+](Cc1ccccc1F)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235772 1051641628 /nfs/dbraw/zinc/64/16/28/1051641628.db2.gz ZEHTYZWECBZCRF-AWEZNQCLSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1C1CC1 ZINC001173213881 1051648863 /nfs/dbraw/zinc/64/88/63/1051648863.db2.gz LOHZITKFJJGWHR-CQSZACIVSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001173210365 1051649926 /nfs/dbraw/zinc/64/99/26/1051649926.db2.gz JUHPYFXXDSVHDQ-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(Cl)cc1 ZINC001173214814 1051650922 /nfs/dbraw/zinc/65/09/22/1051650922.db2.gz QMQDAZSPAPOKRB-CYBMUJFWSA-N 1 0 318.804 4.012 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CC=CCC2)c2ccccc2)c1 ZINC000494039517 1051685653 /nfs/dbraw/zinc/68/56/53/1051685653.db2.gz PHYJACDVUSSVRG-HKUYNNGSSA-N 1 0 308.381 4.383 20 5 DIBDRO C[C@@H](C1CCCCC1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001169933600 1051730553 /nfs/dbraw/zinc/73/05/53/1051730553.db2.gz RHHXUYGEIICXKJ-HNNXBMFYSA-N 1 0 320.433 4.264 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000404690072 1051884861 /nfs/dbraw/zinc/88/48/61/1051884861.db2.gz OVPGZYCHVWBDHR-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@H]1CCC[NH2+]CC1 ZINC001217776231 1052139939 /nfs/dbraw/zinc/13/99/39/1052139939.db2.gz FAFUASNRFJEBGS-HNNXBMFYSA-N 1 0 306.409 4.047 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217781629 1052140836 /nfs/dbraw/zinc/14/08/36/1052140836.db2.gz MGWRPAZKECQRAD-VFNWGFHPSA-N 1 0 320.436 4.293 20 5 DIBDRO C[C@@H]1C[C@@H](OCc2c3ccccc3nc3ccccc32)CC[NH2+]1 ZINC001217787503 1052141839 /nfs/dbraw/zinc/14/18/39/1052141839.db2.gz BBLWUXFPABFIAF-CABCVRRESA-N 1 0 306.409 4.045 20 5 DIBDRO CC1(C)C[NH2+]CC[C@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217877379 1052161053 /nfs/dbraw/zinc/16/10/53/1052161053.db2.gz KROVRGHRBZMFNC-HXUWFJFHSA-N 1 0 320.436 4.293 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001217984173 1052180821 /nfs/dbraw/zinc/18/08/21/1052180821.db2.gz DYSDNWIEQCSUAQ-LIRRHRJNSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001217991875 1052182967 /nfs/dbraw/zinc/18/29/67/1052182967.db2.gz YLSYOWUBTINQOV-PBHICJAKSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H](Oc1nc2ccccc2c2ccccc21)C1CC[NH2+]CC1 ZINC001218003223 1052184092 /nfs/dbraw/zinc/18/40/92/1052184092.db2.gz PTIJEITWSSXYND-CQSZACIVSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218030539 1052188401 /nfs/dbraw/zinc/18/84/01/1052188401.db2.gz RYJXRALSXFKYHC-KUHUBIRLSA-N 1 0 321.420 4.466 20 5 DIBDRO Oc1c2ccccc2c(OC2CC3(C2)CC[NH2+]C3)c2ccccc12 ZINC001218061824 1052191469 /nfs/dbraw/zinc/19/14/69/1052191469.db2.gz YDYQKKQPRMBKMF-UHFFFAOYSA-N 1 0 319.404 4.220 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4CC[NH2+]C[C@H]4F)c3c2n1 ZINC001218073115 1052192981 /nfs/dbraw/zinc/19/29/81/1052192981.db2.gz YWURGIATTRTVRR-SJORKVTESA-N 1 0 324.399 4.084 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@H]3CCC[C@@]34CC[NH2+]C4)cc2c1 ZINC001218094732 1052196705 /nfs/dbraw/zinc/19/67/05/1052196705.db2.gz NLEKXJMRQXZORG-FPOVZHCZSA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001218098524 1052197819 /nfs/dbraw/zinc/19/78/19/1052197819.db2.gz BIJSGQAYGUDWRX-INIZCTEOSA-N 1 0 321.445 4.219 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2CC[C@]23CC[NH2+]C3)c2ccccc12 ZINC001218114212 1052199036 /nfs/dbraw/zinc/19/90/36/1052199036.db2.gz ASFQIBTXMZSUBD-WIYYLYMNSA-N 1 0 319.404 4.220 20 5 DIBDRO c1ccc2c(c1)nc(O[C@@H]1CCC[C@@H]3C[NH2+]C[C@@H]31)c1ccccc21 ZINC001218144389 1052200800 /nfs/dbraw/zinc/20/08/00/1052200800.db2.gz JRDFXPYMLJKWBF-HEFCMCLBSA-N 1 0 318.420 4.155 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)cc2c1 ZINC001218146945 1052201776 /nfs/dbraw/zinc/20/17/76/1052201776.db2.gz QALKZLYQOIXQNP-ZIFCJYIRSA-N 1 0 318.420 4.155 20 5 DIBDRO C[NH2+][C@H]1CC[C@H](Oc2nccc3c4ccccc4ccc32)CC1 ZINC001218188775 1052204613 /nfs/dbraw/zinc/20/46/13/1052204613.db2.gz JTLBISSISNCSRG-WKILWMFISA-N 1 0 306.409 4.297 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4CCC45C[NH2+]C5)c3c2n1 ZINC001218243700 1052211282 /nfs/dbraw/zinc/21/12/82/1052211282.db2.gz GTEKEPMOKMLDFL-SFHVURJKSA-N 1 0 318.420 4.136 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(OC4CC5(CC[NH2+]5)C4)c3c2n1 ZINC001218247663 1052211838 /nfs/dbraw/zinc/21/18/38/1052211838.db2.gz VMMDJKXLRRJHRY-UHFFFAOYSA-N 1 0 318.420 4.278 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@H]3CC[NH2+]C4(CCC4)C3)cc2c1 ZINC001218307910 1052221945 /nfs/dbraw/zinc/22/19/45/1052221945.db2.gz VYFHLXMXFQFCHD-KRWDZBQOSA-N 1 0 318.420 4.442 20 5 DIBDRO CCC(=O)[C@H]1C[C@@H](Oc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001218324599 1052225953 /nfs/dbraw/zinc/22/59/53/1052225953.db2.gz BCJWRCWCBZAKGN-VQIMIIECSA-N 1 0 319.404 4.081 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2C[NH2+]CCC23CC3)c2ccccc12 ZINC001218405658 1052235043 /nfs/dbraw/zinc/23/50/43/1052235043.db2.gz PBPHMHKYGGJRFD-SFHVURJKSA-N 1 0 319.404 4.220 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4CC[NH2+]C[C@@H]4C)c3c2n1 ZINC001218415185 1052236766 /nfs/dbraw/zinc/23/67/66/1052236766.db2.gz BANLOEUJDPIYDG-KSSFIOAISA-N 1 0 320.436 4.382 20 5 DIBDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000495154474 1052238365 /nfs/dbraw/zinc/23/83/65/1052238365.db2.gz CKDLUYVYPKUCBW-IBGZPJMESA-N 1 0 310.397 4.495 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4[C@@H]5CC[C@H]4[NH2+]C5)c3c2n1 ZINC001218450021 1052240602 /nfs/dbraw/zinc/24/06/02/1052240602.db2.gz UJWARVUTSNCNBL-QLVMHMETSA-N 1 0 318.420 4.134 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000193234382 1052260837 /nfs/dbraw/zinc/26/08/37/1052260837.db2.gz JCVSJNILFRAPHX-NSHDSACASA-N 1 0 322.311 4.047 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000315405523 1052337488 /nfs/dbraw/zinc/33/74/88/1052337488.db2.gz HRTHIYXFRJGWMC-HNNXBMFYSA-N 1 0 306.406 4.052 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CN1CC[C@]12CCC[NH2+]C2 ZINC001222196728 1052460287 /nfs/dbraw/zinc/46/02/87/1052460287.db2.gz BQDFMEIDEQHQGM-QFIPXVFZSA-N 1 0 316.448 4.321 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CN1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282084 1052473555 /nfs/dbraw/zinc/47/35/55/1052473555.db2.gz FQOUENQIWCSMLH-JOCHJYFZSA-N 1 0 316.448 4.321 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000193899957 1052510363 /nfs/dbraw/zinc/51/03/63/1052510363.db2.gz NPMPSEOWKVJQRW-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000193901950 1052510556 /nfs/dbraw/zinc/51/05/56/1052510556.db2.gz WREINBRPUHGLTJ-VXGBXAGGSA-N 1 0 318.348 4.154 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000194414954 1052543139 /nfs/dbraw/zinc/54/31/39/1052543139.db2.gz RVYXHSCKYKTMOF-LJQANCHMSA-N 1 0 322.364 4.110 20 5 DIBDRO C[C@H]([NH2+]C(C)(C)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000488063249 1052568376 /nfs/dbraw/zinc/56/83/76/1052568376.db2.gz BNCNTUJLEXJEAW-AWEZNQCLSA-N 1 0 313.401 4.136 20 5 DIBDRO Cc1c(COC2CC(C)(C)[NH+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001223330989 1052589110 /nfs/dbraw/zinc/58/91/10/1052589110.db2.gz FURLJHKQSMYELO-UHFFFAOYSA-N 1 0 320.433 4.071 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC001223430783 1052601157 /nfs/dbraw/zinc/60/11/57/1052601157.db2.gz PXLJTYXQTASMQU-KMANFZQXSA-N 1 0 318.417 4.076 20 5 DIBDRO CC1CCC([N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)CC1 ZINC000917064981 1052688441 /nfs/dbraw/zinc/68/84/41/1052688441.db2.gz NMTJDWGKIGVSOX-UHFFFAOYSA-N 1 0 306.381 4.277 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000917063761 1052688571 /nfs/dbraw/zinc/68/85/71/1052688571.db2.gz JAQQPPPPZIPLJL-KRWDZBQOSA-N 1 0 320.339 4.360 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000917086629 1052697395 /nfs/dbraw/zinc/69/73/95/1052697395.db2.gz GIMZEDKJNQJAMG-MRXNPFEDSA-N 1 0 318.323 4.210 20 5 DIBDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000194619352 1052792226 /nfs/dbraw/zinc/79/22/26/1052792226.db2.gz RKEFUUFXRCTFGS-CQSZACIVSA-N 1 0 314.385 4.234 20 5 DIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609288293 1052841560 /nfs/dbraw/zinc/84/15/60/1052841560.db2.gz OGESLRVWICCPDY-LSDHHAIUSA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000556444682 1052851826 /nfs/dbraw/zinc/85/18/26/1052851826.db2.gz USTCDUOIRFEGSV-DAYGRLMNSA-N 1 0 320.433 4.005 20 5 DIBDRO O[C@H]1CCC[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000920182946 1052926321 /nfs/dbraw/zinc/92/63/21/1052926321.db2.gz WDVOEUWLOHCUOV-ROUUACIJSA-N 1 0 305.421 4.386 20 5 DIBDRO O=[N+]([O-])c1ccc(NCCCCCCC[NH+]2CCCC2)cc1 ZINC000920337845 1052934726 /nfs/dbraw/zinc/93/47/26/1052934726.db2.gz RWOHKUPPSDPEMF-UHFFFAOYSA-N 1 0 305.422 4.053 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195321399 1052935418 /nfs/dbraw/zinc/93/54/18/1052935418.db2.gz TUZROPHNQUYCFO-AWEZNQCLSA-N 1 0 318.417 4.079 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cc(Br)ccc2c1 ZINC001226900802 1052943342 /nfs/dbraw/zinc/94/33/42/1052943342.db2.gz YVPXOJBREPQFQO-GFCCVEGCSA-N 1 0 323.254 4.076 20 5 DIBDRO CC[NH+]1CCC(Oc2nc3ccccc3c3ccccc32)CC1 ZINC001226993155 1052951894 /nfs/dbraw/zinc/95/18/94/1052951894.db2.gz UATNBMYDVXGCAO-UHFFFAOYSA-N 1 0 306.409 4.251 20 5 DIBDRO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCCC3)cc2)cn1 ZINC000920965000 1052957105 /nfs/dbraw/zinc/95/71/05/1052957105.db2.gz WTSMOGNRQPAMRO-UHFFFAOYSA-N 1 0 312.373 4.114 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609672580 1052986246 /nfs/dbraw/zinc/98/62/46/1052986246.db2.gz QQCHMEVSFCTPRU-DZGCQCFKSA-N 1 0 314.360 4.112 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000609919285 1052998853 /nfs/dbraw/zinc/99/88/53/1052998853.db2.gz YAMHTILBSYZGQQ-SFHVURJKSA-N 1 0 310.397 4.014 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC2(CCCC2)CC1 ZINC000610004478 1053002321 /nfs/dbraw/zinc/00/23/21/1053002321.db2.gz NCVQZSDTMQMDRT-UHFFFAOYSA-N 1 0 308.809 4.404 20 5 DIBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000237552844 1053011799 /nfs/dbraw/zinc/01/17/99/1053011799.db2.gz NJMRQURJAJGOHI-HOTGVXAUSA-N 1 0 307.437 4.490 20 5 DIBDRO Cc1c(C[NH2+]Cc2ccc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000237812781 1053029740 /nfs/dbraw/zinc/02/97/40/1053029740.db2.gz KSFSUVLPICQTOZ-UHFFFAOYSA-N 1 0 322.364 4.453 20 5 DIBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001228177222 1053050113 /nfs/dbraw/zinc/05/01/13/1053050113.db2.gz ZCNSENUBTQCTTE-QGZVFWFLSA-N 1 0 306.409 4.250 20 5 DIBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228519430 1053124005 /nfs/dbraw/zinc/12/40/05/1053124005.db2.gz OGDMWDKTJMZYLT-HNNXBMFYSA-N 1 0 321.424 4.035 20 5 DIBDRO CC[N@@H+]1CC[C@H](Oc2c3ccccc3c(O)c3ccccc32)C1 ZINC001229027808 1053228361 /nfs/dbraw/zinc/22/83/61/1053228361.db2.gz VHIJDHUZOAMAJF-AWEZNQCLSA-N 1 0 307.393 4.172 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2cnccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000618725882 1053353064 /nfs/dbraw/zinc/35/30/64/1053353064.db2.gz XUPMTMJLGLISDP-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO CC(=O)c1cccc(-c2ccccc2)c1O[C@@H](C)C[N+](C)(C)C ZINC001229571417 1053355009 /nfs/dbraw/zinc/35/50/09/1053355009.db2.gz OJYSWLVKSOVAHK-HNNXBMFYSA-N 1 0 312.433 4.030 20 5 DIBDRO C[C@H](c1ccc(O)cc1)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001229578976 1053358579 /nfs/dbraw/zinc/35/85/79/1053358579.db2.gz RUQAZISYFONZJV-JKSUJKDBSA-O 1 0 314.449 4.018 20 5 DIBDRO C[C@@H](Oc1cccc([C@H](C)[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC001229627712 1053368841 /nfs/dbraw/zinc/36/88/41/1053368841.db2.gz QYJMAEINMUYQHP-UONOGXRCSA-N 1 0 314.385 4.357 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000182211295 1053369201 /nfs/dbraw/zinc/36/92/01/1053369201.db2.gz VYKQSUMTHZUIBF-ZDUSSCGKSA-N 1 0 314.360 4.382 20 5 DIBDRO Cc1occc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618983551 1053412717 /nfs/dbraw/zinc/41/27/17/1053412717.db2.gz OWGXKXULWIZRPK-INIZCTEOSA-N 1 0 300.358 4.008 20 5 DIBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001230040696 1053461222 /nfs/dbraw/zinc/46/12/22/1053461222.db2.gz OOKLELOLKUXATO-VIFPVBQESA-N 1 0 321.204 4.011 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619754175 1053547390 /nfs/dbraw/zinc/54/73/90/1053547390.db2.gz LUKXPAZBTFQZCU-BZNIZROVSA-N 1 0 302.399 4.385 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000619781366 1053558150 /nfs/dbraw/zinc/55/81/50/1053558150.db2.gz NOZOBHZMVJUTLB-IRXDYDNUSA-N 1 0 318.417 4.127 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000037775650 1053563135 /nfs/dbraw/zinc/56/31/35/1053563135.db2.gz YHEMCFPTWVDCBE-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO CCC[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183992601 1053897203 /nfs/dbraw/zinc/89/72/03/1053897203.db2.gz IHAYRDLKQLSKQW-ROUUACIJSA-N 1 0 320.433 4.375 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCC34CCCC4)nc12 ZINC001232218587 1053992755 /nfs/dbraw/zinc/99/27/55/1053992755.db2.gz IWBBLUBTVLTJHT-UHFFFAOYSA-N 1 0 303.409 4.302 20 5 DIBDRO C[C@@]1(F)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232217884 1053993076 /nfs/dbraw/zinc/99/30/76/1053993076.db2.gz BCPWWMZSGPRYRE-HXUWFJFHSA-N 1 0 323.415 4.497 20 5 DIBDRO F[C@@H]1CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232217974 1053994210 /nfs/dbraw/zinc/99/42/10/1053994210.db2.gz CJFQSCSPSRUDBC-MRXNPFEDSA-N 1 0 309.388 4.107 20 5 DIBDRO C[C@@]1(F)CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219516 1053995326 /nfs/dbraw/zinc/99/53/26/1053995326.db2.gz VANKKDVMBIAOGK-HXUWFJFHSA-N 1 0 323.415 4.497 20 5 DIBDRO CC(C)[N@H+](CCCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001335390964 1054215456 /nfs/dbraw/zinc/21/54/56/1054215456.db2.gz AGSNGSVELNYLOS-UHFFFAOYSA-N 1 0 304.312 4.148 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCc1ccccc1)C1CC1 ZINC001473294577 1054514285 /nfs/dbraw/zinc/51/42/85/1054514285.db2.gz QSZGUHLMQZEHSV-UHFFFAOYSA-N 1 0 310.397 4.192 20 5 DIBDRO CC(C)c1cc(O[C@H](C)C[N+](C)(C)C)ccc1Br ZINC001234670281 1054573949 /nfs/dbraw/zinc/57/39/49/1054573949.db2.gz ZAANRPVHDUNIFE-GFCCVEGCSA-N 1 0 315.275 4.046 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H](C)C[NH+](C)C)c3c2n1 ZINC001234909281 1054617249 /nfs/dbraw/zinc/61/72/49/1054617249.db2.gz DCXFJPYLKPTBSJ-OAHLLOKOSA-N 1 0 308.425 4.334 20 5 DIBDRO CN(Cc1c2ccccc2c(Cl)c2ccccc21)[C@H]1CC[NH2+]C1 ZINC001235738108 1054796178 /nfs/dbraw/zinc/79/61/78/1054796178.db2.gz CIMBNMZHRYFJSA-AWEZNQCLSA-N 1 0 324.855 4.440 20 5 DIBDRO C[NH2+][C@@H]1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001235829222 1054815240 /nfs/dbraw/zinc/81/52/40/1054815240.db2.gz OYGKYNJUVOHNGF-LJQANCHMSA-N 1 0 314.432 4.378 20 5 DIBDRO [NH3+][C@@]12C[C@@H]1CN(Cc1c3ccccc3c(Cl)c3ccccc31)C2 ZINC001236032142 1054903166 /nfs/dbraw/zinc/90/31/66/1054903166.db2.gz VEQPHYYLNGBZDM-ZUOKHONESA-N 1 0 322.839 4.179 20 5 DIBDRO C[C@@H]1CN(Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1[NH3+] ZINC001236093455 1054940503 /nfs/dbraw/zinc/94/05/03/1054940503.db2.gz IFVRLKOACXPORI-VLIAUNLRSA-N 1 0 314.432 4.363 20 5 DIBDRO c1cnc2c(c1)ccc1c(-c3cccc4c3CC[NH2+]C4)ccnc12 ZINC001236359831 1055072773 /nfs/dbraw/zinc/07/27/73/1055072773.db2.gz OZGDNKOERZIVEV-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO CCCCC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001168531508 1055163921 /nfs/dbraw/zinc/16/39/21/1055163921.db2.gz SQRULGRITQTRGG-DLBZAZTESA-N 1 0 322.449 4.213 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)COc1ccccc1 ZINC000765440752 1055392702 /nfs/dbraw/zinc/39/27/02/1055392702.db2.gz SYCBSVRHSBIFGR-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000765440911 1055393091 /nfs/dbraw/zinc/39/30/91/1055393091.db2.gz VCPBOOYOXZALDG-KSSFIOAISA-N 1 0 314.385 4.103 20 5 DIBDRO CC(C)c1ccc(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001620862363 1055490398 /nfs/dbraw/zinc/49/03/98/1055490398.db2.gz ODHNAGJEXHOMFV-OAHLLOKOSA-N 1 0 312.413 4.439 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC001617390254 1055945849 /nfs/dbraw/zinc/94/58/49/1055945849.db2.gz JWEQSBGLXWNLAD-JKIFEVAISA-N 1 0 320.433 4.296 20 5 DIBDRO C[C@@H](Cc1ccccc1Cl)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000765775082 1055980234 /nfs/dbraw/zinc/98/02/34/1055980234.db2.gz OFRKHOQUYTVHME-ZDUSSCGKSA-N 1 0 318.804 4.012 20 5 DIBDRO Cc1cc(NCC2([NH+](C)C)CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC001611739581 1056184081 /nfs/dbraw/zinc/18/40/81/1056184081.db2.gz ACNDCUSDZXYSFR-UHFFFAOYSA-N 1 0 323.412 4.109 20 5 DIBDRO Cc1cc(Nc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])s1 ZINC001611754782 1056186272 /nfs/dbraw/zinc/18/62/72/1056186272.db2.gz CZANKUUMLAWWJA-UHFFFAOYSA-N 1 0 317.414 4.304 20 5 DIBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC001611889031 1056204209 /nfs/dbraw/zinc/20/42/09/1056204209.db2.gz FZOAHMZBDDKQKX-AWEZNQCLSA-N 1 0 323.412 4.109 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cncs1 ZINC000903309658 1056204670 /nfs/dbraw/zinc/20/46/70/1056204670.db2.gz GEMIODJUAVQTKG-IINYFYTJSA-N 1 0 317.414 4.125 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cncs1 ZINC000903309660 1056205692 /nfs/dbraw/zinc/20/56/92/1056205692.db2.gz GEMIODJUAVQTKG-YGRLFVJLSA-N 1 0 317.414 4.125 20 5 DIBDRO C[C@H]([NH2+]C(C)(C)CNc1ccsc1[N+](=O)[O-])c1ccccc1 ZINC001611936508 1056211226 /nfs/dbraw/zinc/21/12/26/1056211226.db2.gz DIKLELAQMJPXNO-LBPRGKRZSA-N 1 0 319.430 4.198 20 5 DIBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001611943140 1056212590 /nfs/dbraw/zinc/21/25/90/1056212590.db2.gz SITOWLGEQLNSOU-MRXNPFEDSA-N 1 0 317.433 4.051 20 5 DIBDRO C[C@H](NCc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000225258069 1056254873 /nfs/dbraw/zinc/25/48/73/1056254873.db2.gz KQVYPKXITOMANY-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCNc2ccccc21 ZINC001168643123 1056322500 /nfs/dbraw/zinc/32/25/00/1056322500.db2.gz BLBJOQWXDHUXOZ-FQEVSTJZSA-N 1 0 310.465 4.252 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC000094773535 1056335779 /nfs/dbraw/zinc/33/57/79/1056335779.db2.gz CTUOHVMDRLYSRB-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000554308899 1056353568 /nfs/dbraw/zinc/35/35/68/1056353568.db2.gz ISVDXWYVZFSBPW-QGZVFWFLSA-N 1 0 314.385 4.187 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC001615454483 1056512960 /nfs/dbraw/zinc/51/29/60/1056512960.db2.gz YVCPOBBAYQIGTP-UHFFFAOYSA-N 1 0 318.417 4.150 20 5 DIBDRO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001615846945 1056588099 /nfs/dbraw/zinc/58/80/99/1056588099.db2.gz SKGXUTIKSXJPCD-AWEZNQCLSA-N 1 0 322.408 4.203 20 5 DIBDRO c1ccc2cc3cc(-c4ncnc5c4C[NH2+]CC5)ccc3cc2c1 ZINC001240680653 1056636802 /nfs/dbraw/zinc/63/68/02/1056636802.db2.gz WHALIKFVHITAIF-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO c1ccc2cc3cc(-c4ncc5c(n4)CC[NH2+]C5)ccc3cc2c1 ZINC001240680164 1056637090 /nfs/dbraw/zinc/63/70/90/1056637090.db2.gz PSQJISGKWPHORC-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO Cc1cc(C)cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC001616477215 1056663093 /nfs/dbraw/zinc/66/30/93/1056663093.db2.gz UUSGRCRQHQLILJ-UHFFFAOYSA-N 1 0 310.397 4.376 20 5 DIBDRO CCCCC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001616646842 1056693620 /nfs/dbraw/zinc/69/36/20/1056693620.db2.gz UBLWXGIUODPDHC-SJORKVTESA-N 1 0 322.449 4.213 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC001616661803 1056697024 /nfs/dbraw/zinc/69/70/24/1056697024.db2.gz IZBDPEMFTSLDJL-AWEZNQCLSA-N 1 0 310.397 4.243 20 5 DIBDRO C[N@H+](CCCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001616958502 1056745946 /nfs/dbraw/zinc/74/59/46/1056745946.db2.gz SYLVUEJBZKHSRF-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001616981057 1056752905 /nfs/dbraw/zinc/75/29/05/1056752905.db2.gz IFPOMKPSJQTSTO-IBGZPJMESA-N 1 0 310.397 4.192 20 5 DIBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCc2ccccc21 ZINC001617464989 1056837199 /nfs/dbraw/zinc/83/71/99/1056837199.db2.gz MGLUSXNEQDDDTK-SFHVURJKSA-N 1 0 324.424 4.189 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC001618114113 1056923988 /nfs/dbraw/zinc/92/39/88/1056923988.db2.gz HVWYKZUGNKRKEA-MRXNPFEDSA-N 1 0 306.381 4.327 20 5 DIBDRO CCCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001618189766 1056930677 /nfs/dbraw/zinc/93/06/77/1056930677.db2.gz BCPYIMBMIPEYAF-UHFFFAOYSA-N 1 0 320.433 4.408 20 5 DIBDRO CC(C)([NH2+]CCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001618196893 1056933228 /nfs/dbraw/zinc/93/32/28/1056933228.db2.gz VGGOAKOUQNUGNY-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO CCCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC001618214870 1056936215 /nfs/dbraw/zinc/93/62/15/1056936215.db2.gz RGZSZDKKYCABGL-GOEBONIOSA-N 1 0 305.422 4.171 20 5 DIBDRO Cc1cc(F)ccc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000922667528 1057046449 /nfs/dbraw/zinc/04/64/49/1057046449.db2.gz NWZIYCGINSXQRA-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO CC1=C(c2ccco2)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000555338530 1057048902 /nfs/dbraw/zinc/04/89/02/1057048902.db2.gz HFJILDLFQFMHNX-DAXSKMNVSA-N 1 0 324.380 4.380 20 5 DIBDRO CCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000156289170 1057075911 /nfs/dbraw/zinc/07/59/11/1057075911.db2.gz IXXKPZWXPRQBHS-LBPRGKRZSA-N 1 0 304.415 4.378 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000029148670 1057135772 /nfs/dbraw/zinc/13/57/72/1057135772.db2.gz MDDIDPRQNWBACX-GOSISDBHSA-N 1 0 314.385 4.090 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000226760913 1057138046 /nfs/dbraw/zinc/13/80/46/1057138046.db2.gz IRNHFLRCBKDOOF-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO CCOc1ccccc1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132237011 1057142991 /nfs/dbraw/zinc/14/29/91/1057142991.db2.gz DACXBVYAYCTHMU-KRWDZBQOSA-N 1 0 314.385 4.234 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000219157602 1057194651 /nfs/dbraw/zinc/19/46/51/1057194651.db2.gz UMANYDBUVJRVFT-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000611299973 1057590946 /nfs/dbraw/zinc/59/09/46/1057590946.db2.gz UGRCVQHPUHWAHH-RDTXWAMCSA-N 1 0 313.401 4.490 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000611337284 1057591410 /nfs/dbraw/zinc/59/14/10/1057591410.db2.gz UQEFHCDRZWTBMU-YSVLISHTSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000611337283 1057591560 /nfs/dbraw/zinc/59/15/60/1057591560.db2.gz UQEFHCDRZWTBMU-QRTARXTBSA-N 1 0 302.418 4.084 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000611336816 1057591630 /nfs/dbraw/zinc/59/16/30/1057591630.db2.gz MIKLXFHYFASJDL-RHSMWYFYSA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1ncc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000611335962 1057591862 /nfs/dbraw/zinc/59/18/62/1057591862.db2.gz RGWBSQNAYQHWSN-GFCCVEGCSA-N 1 0 319.430 4.033 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)c(F)c1 ZINC000611395882 1057597491 /nfs/dbraw/zinc/59/74/91/1057597491.db2.gz XAEKOCMRGSJNOP-GOSISDBHSA-N 1 0 314.360 4.365 20 5 DIBDRO [NH3+]CCOc1cccc(-c2nc3ccccc3c3ccccc32)c1 ZINC001244321149 1057933809 /nfs/dbraw/zinc/93/38/09/1057933809.db2.gz PLWVCDRXLBNWRG-UHFFFAOYSA-N 1 0 314.388 4.393 20 5 DIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC001559538293 1059338512 /nfs/dbraw/zinc/33/85/12/1059338512.db2.gz USNCKFKZCXCOQW-LJQANCHMSA-N 1 0 324.424 4.419 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001559545983 1059347010 /nfs/dbraw/zinc/34/70/10/1059347010.db2.gz KXBSBFOPLPYMOU-MRXNPFEDSA-N 1 0 320.433 4.252 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC001559559954 1059377007 /nfs/dbraw/zinc/37/70/07/1059377007.db2.gz BCJCEPLRAYZYNE-KBPBESRZSA-N 1 0 306.406 4.002 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001559561411 1059382705 /nfs/dbraw/zinc/38/27/05/1059382705.db2.gz HIXDWBHOLTXHIC-UHFFFAOYSA-N 1 0 308.809 4.404 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC001559569906 1059401378 /nfs/dbraw/zinc/40/13/78/1059401378.db2.gz JGWZHDKPPSHSTG-SFHVURJKSA-N 1 0 312.413 4.356 20 5 DIBDRO CC[C@H](C)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001559580578 1059415133 /nfs/dbraw/zinc/41/51/33/1059415133.db2.gz ZKWPYQOIERMRMV-NSHDSACASA-N 1 0 318.339 4.482 20 5 DIBDRO C[C@H]1CCC[C@@H](CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001559595110 1059428406 /nfs/dbraw/zinc/42/84/06/1059428406.db2.gz YSZIULCOKWAMOO-GJZGRUSLSA-N 1 0 302.418 4.169 20 5 DIBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC001559632542 1059461262 /nfs/dbraw/zinc/46/12/62/1059461262.db2.gz JZWODIFXRJDVGH-DLBZAZTESA-N 1 0 320.433 4.010 20 5 DIBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001559647285 1059474073 /nfs/dbraw/zinc/47/40/73/1059474073.db2.gz DGKMYYZYATYBKK-ZFWWWQNUSA-N 1 0 306.406 4.004 20 5 DIBDRO CCC1(CC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001559753922 1059585475 /nfs/dbraw/zinc/58/54/75/1059585475.db2.gz XRLUAZSHOOSJFE-UHFFFAOYSA-N 1 0 320.433 4.396 20 5 DIBDRO CCOc1cc(C[NH+]2CCC(C)(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001559770599 1059606447 /nfs/dbraw/zinc/60/64/47/1059606447.db2.gz PGTBWUYLBWQVPF-UHFFFAOYSA-N 1 0 320.433 4.252 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001559772497 1059609695 /nfs/dbraw/zinc/60/96/95/1059609695.db2.gz BORUKJNTNLQIAF-MJGOQNOKSA-N 1 0 324.424 4.486 20 5 DIBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001559797585 1059632719 /nfs/dbraw/zinc/63/27/19/1059632719.db2.gz UNAPKMMEJJRWSI-QFBILLFUSA-N 1 0 324.424 4.324 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)cc1 ZINC001559848790 1059674032 /nfs/dbraw/zinc/67/40/32/1059674032.db2.gz CDRVVVJIUWDBSY-XLIONFOSSA-N 1 0 322.408 4.462 20 5 DIBDRO CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1ccsc1 ZINC001559919691 1059731735 /nfs/dbraw/zinc/73/17/35/1059731735.db2.gz OQRGRMVMBYWJRD-LBPRGKRZSA-N 1 0 320.414 4.334 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001559925507 1059742067 /nfs/dbraw/zinc/74/20/67/1059742067.db2.gz VAHWJIMLXMBGPL-ZDUSSCGKSA-N 1 0 308.809 4.260 20 5 DIBDRO [NH3+][C@@H]1CC[C@@H]1c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001248323904 1059781625 /nfs/dbraw/zinc/78/16/25/1059781625.db2.gz OUZKTMKVWWCNQR-FUHWJXTLSA-N 1 0 315.376 4.248 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001559977468 1059785818 /nfs/dbraw/zinc/78/58/18/1059785818.db2.gz WDVFVCPSNNFMEJ-CQSZACIVSA-N 1 0 306.381 4.136 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC001559982051 1059790664 /nfs/dbraw/zinc/79/06/64/1059790664.db2.gz GZBIGRVWZFCIGD-AWEZNQCLSA-N 1 0 314.385 4.437 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](C3CCC3)CC2)c(F)c1 ZINC001560091573 1059901937 /nfs/dbraw/zinc/90/19/37/1059901937.db2.gz MNBGUPOCBWKPAE-CYBMUJFWSA-N 1 0 324.371 4.275 20 5 DIBDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001560187234 1059971381 /nfs/dbraw/zinc/97/13/81/1059971381.db2.gz CEYJFEAMJSILKL-QGZVFWFLSA-N 1 0 310.397 4.363 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CCCCC1 ZINC001560263690 1060032895 /nfs/dbraw/zinc/03/28/95/1060032895.db2.gz KWHNMZZCPCKRBE-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC001560319285 1060104558 /nfs/dbraw/zinc/10/45/58/1060104558.db2.gz YKRUGBBQUWJXOS-GDBMZVCRSA-N 1 0 320.433 4.298 20 5 DIBDRO C[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC001560426421 1060211888 /nfs/dbraw/zinc/21/18/88/1060211888.db2.gz ICZPVFNOOPSAEE-HNNXBMFYSA-N 1 0 304.434 4.333 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCC(C)(C)CC1 ZINC001560429610 1060215425 /nfs/dbraw/zinc/21/54/25/1060215425.db2.gz UGTSAEUHQCOWTE-UHFFFAOYSA-N 1 0 320.433 4.300 20 5 DIBDRO CC(C)=CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001560439505 1060228526 /nfs/dbraw/zinc/22/85/26/1060228526.db2.gz NHMNVQXUFJMTMK-UHFFFAOYSA-N 1 0 302.399 4.379 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)o2)cc1 ZINC001560500841 1060295980 /nfs/dbraw/zinc/29/59/80/1060295980.db2.gz FRYXCYWMPRHEJI-COXVUDFISA-N 1 0 312.369 4.133 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC001560503517 1060299272 /nfs/dbraw/zinc/29/92/72/1060299272.db2.gz OYDYOZBASSEBMP-HZPDHXFCSA-N 1 0 302.418 4.128 20 5 DIBDRO CCc1cccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC001560521713 1060321635 /nfs/dbraw/zinc/32/16/35/1060321635.db2.gz MWELPDUHFLXWIM-GDNBJRDFSA-N 1 0 310.397 4.350 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C=CCC3)s2)cc1 ZINC001560571295 1060383301 /nfs/dbraw/zinc/38/33/01/1060383301.db2.gz NLANSIWUZKTXCE-CYBMUJFWSA-N 1 0 314.410 4.379 20 5 DIBDRO C[C@H](C[NH2+]C1CCc2ccccc2CC1)c1ccccc1[N+](=O)[O-] ZINC001560603926 1060417068 /nfs/dbraw/zinc/41/70/68/1060417068.db2.gz HYVWRHMGQPPINK-OAHLLOKOSA-N 1 0 324.424 4.236 20 5 DIBDRO CCCC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC001560658108 1060481001 /nfs/dbraw/zinc/48/10/01/1060481001.db2.gz MRMSEMCXGAXBQB-UHFFFAOYSA-N 1 0 316.323 4.378 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(C)cccc2C1 ZINC001560684581 1060531028 /nfs/dbraw/zinc/53/10/28/1060531028.db2.gz ROLWLOAZFBDXHY-RVDMUPIBSA-N 1 0 322.408 4.365 20 5 DIBDRO C[C@H](CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001560697652 1060552461 /nfs/dbraw/zinc/55/24/61/1060552461.db2.gz JJGRYUALKZPKQP-OAHLLOKOSA-N 1 0 310.397 4.147 20 5 DIBDRO CC[C@@H](C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001560719775 1060583561 /nfs/dbraw/zinc/58/35/61/1060583561.db2.gz WOOOTFKQJGSLAF-MRXNPFEDSA-N 1 0 312.413 4.438 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001560736182 1060604299 /nfs/dbraw/zinc/60/42/99/1060604299.db2.gz NMBPFGAAODFAOP-HOTGVXAUSA-N 1 0 312.413 4.309 20 5 DIBDRO CC1(C)CC(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001560764765 1060630124 /nfs/dbraw/zinc/63/01/24/1060630124.db2.gz PSAHXACMMOLDSK-UHFFFAOYSA-N 1 0 316.323 4.139 20 5 DIBDRO CC(C)C(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001560767133 1060631754 /nfs/dbraw/zinc/63/17/54/1060631754.db2.gz MJJZTLHWVAWCFV-UHFFFAOYSA-N 1 0 318.339 4.385 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)CCCC2 ZINC001560825685 1060685500 /nfs/dbraw/zinc/68/55/00/1060685500.db2.gz UGOAYKHCTNEXTG-UHFFFAOYSA-N 1 0 324.424 4.148 20 5 DIBDRO Cc1c(C[N@@H+]2CC3(CCCC3)[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001560883657 1060745642 /nfs/dbraw/zinc/74/56/42/1060745642.db2.gz BIGZLHWIUKRGNR-KRWDZBQOSA-N 1 0 302.418 4.304 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCCCC1 ZINC001560895767 1060758890 /nfs/dbraw/zinc/75/88/90/1060758890.db2.gz ZDJVZCUGJCCFRP-CABCVRRESA-N 1 0 304.434 4.474 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCCCC1 ZINC001560895768 1060759371 /nfs/dbraw/zinc/75/93/71/1060759371.db2.gz ZDJVZCUGJCCFRP-GJZGRUSLSA-N 1 0 304.434 4.474 20 5 DIBDRO C[C@H]1CC[C@@](C)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001560923519 1060788155 /nfs/dbraw/zinc/78/81/55/1060788155.db2.gz FILMWQNLVUCHLI-KSSFIOAISA-N 1 0 304.434 4.189 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001560937566 1060800643 /nfs/dbraw/zinc/80/06/43/1060800643.db2.gz HYIMTSLHLBKCIV-INIZCTEOSA-N 1 0 302.418 4.224 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001560995345 1060856333 /nfs/dbraw/zinc/85/63/33/1060856333.db2.gz JOEMSAURWNDMSB-UONOGXRCSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1[N+](=O)[O-] ZINC001560995579 1060856706 /nfs/dbraw/zinc/85/67/06/1060856706.db2.gz QLQCAUAGMPSMHA-IAQYHMDHSA-N 1 0 316.788 4.066 20 5 DIBDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001561005316 1060863067 /nfs/dbraw/zinc/86/30/67/1060863067.db2.gz MHJGCVSTOSGPKS-KGLIPLIRSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H](C[NH2+]C1CC(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001561026999 1060881819 /nfs/dbraw/zinc/88/18/19/1060881819.db2.gz RYHLQEIEORWCAJ-OOHWJJMZSA-N 1 0 310.397 4.234 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC001561027102 1060883172 /nfs/dbraw/zinc/88/31/72/1060883172.db2.gz VUFADKWRIGKPKF-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC001473273200 1061044978 /nfs/dbraw/zinc/04/49/78/1061044978.db2.gz MFQLURHWVXTKDH-CABCVRRESA-N 1 0 308.397 4.428 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001462250759 1061053690 /nfs/dbraw/zinc/05/36/90/1061053690.db2.gz XVEAUZZVLYAXQP-WGKHBADSSA-N 1 0 300.402 4.120 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCC2 ZINC001473312348 1061077880 /nfs/dbraw/zinc/07/78/80/1061077880.db2.gz IIFUHWTUSGJPQS-LBPRGKRZSA-N 1 0 308.809 4.260 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@H]1C(C)C ZINC001473319602 1061085549 /nfs/dbraw/zinc/08/55/49/1061085549.db2.gz XASWVXICRBGEKN-INIZCTEOSA-N 1 0 306.406 4.004 20 5 DIBDRO Cc1ccc(C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC001473379962 1061122707 /nfs/dbraw/zinc/12/27/07/1061122707.db2.gz CZJRXCXHIQRFGW-UHFFFAOYSA-N 1 0 322.767 4.328 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001462355719 1061126684 /nfs/dbraw/zinc/12/66/84/1061126684.db2.gz HTQPQAHZBZYFAQ-BPUTZDHNSA-N 1 0 304.434 4.330 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC001473391255 1061132587 /nfs/dbraw/zinc/13/25/87/1061132587.db2.gz NABOHGXDEYUDFZ-QUCCMNQESA-N 1 0 324.424 4.138 20 5 DIBDRO CCc1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001462399027 1061150166 /nfs/dbraw/zinc/15/01/66/1061150166.db2.gz XQCXLFZUEDXDSQ-UHFFFAOYSA-N 1 0 304.777 4.100 20 5 DIBDRO Cc1ccc([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC001473445298 1061163467 /nfs/dbraw/zinc/16/34/67/1061163467.db2.gz GYIBNIFCNOIUKQ-GOSISDBHSA-N 1 0 324.424 4.244 20 5 DIBDRO CC(C)C[C@]1(C)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001473492979 1061187281 /nfs/dbraw/zinc/18/72/81/1061187281.db2.gz RHUHQJCHZQSKOR-SFHVURJKSA-N 1 0 320.433 4.264 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@]12C[C@@H]1CCCC2 ZINC001462501526 1061215055 /nfs/dbraw/zinc/21/50/55/1061215055.db2.gz CMAAYSZUBHRTAN-DETPVDSQSA-N 1 0 308.809 4.307 20 5 DIBDRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001462511433 1061220930 /nfs/dbraw/zinc/22/09/30/1061220930.db2.gz KOQCAJREUSNIIC-LBPRGKRZSA-N 1 0 304.312 4.114 20 5 DIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001473539503 1061232381 /nfs/dbraw/zinc/23/23/81/1061232381.db2.gz PYHMIZLEEXNUMA-RBUKOAKNSA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001462556605 1061259304 /nfs/dbraw/zinc/25/93/04/1061259304.db2.gz MKKVRROJAXHFKK-XUJVJEKNSA-N 1 0 308.447 4.166 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001473576816 1061264882 /nfs/dbraw/zinc/26/48/82/1061264882.db2.gz BQGJNGJNZPSITR-UKRRQHHQSA-N 1 0 320.408 4.382 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC001473651166 1061317712 /nfs/dbraw/zinc/31/77/12/1061317712.db2.gz NPJANELGIXJZNM-LBPRGKRZSA-N 1 0 303.189 4.180 20 5 DIBDRO CC(C)[N@H+](CCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001251359506 1061332198 /nfs/dbraw/zinc/33/21/98/1061332198.db2.gz NDYUFRUSMADSKM-UHFFFAOYSA-N 1 0 304.415 4.109 20 5 DIBDRO CC[C@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001473706062 1061357337 /nfs/dbraw/zinc/35/73/37/1061357337.db2.gz HNYVOYRDWXDIMU-KRWDZBQOSA-N 1 0 302.349 4.149 20 5 DIBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001473745675 1061388493 /nfs/dbraw/zinc/38/84/93/1061388493.db2.gz QKAJTSZDNVCULP-SFHVURJKSA-N 1 0 318.417 4.018 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(C3CCCCC3)CC2)c1 ZINC001473871218 1061441586 /nfs/dbraw/zinc/44/15/86/1061441586.db2.gz VVYRFRIJIBGFAN-UHFFFAOYSA-N 1 0 308.809 4.451 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccsc3)o2)cc1 ZINC001473932773 1061480298 /nfs/dbraw/zinc/48/02/98/1061480298.db2.gz ZDSQCPBIYMITPQ-UHFFFAOYSA-N 1 0 314.366 4.206 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC(C)CC1 ZINC001473958651 1061498166 /nfs/dbraw/zinc/49/81/66/1061498166.db2.gz AZXRXEVGJVQPKG-GDNBJRDFSA-N 1 0 302.418 4.414 20 5 DIBDRO CCc1cccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001474088547 1061633478 /nfs/dbraw/zinc/63/34/78/1061633478.db2.gz JHXXONPYHOWEKI-UHFFFAOYSA-N 1 0 318.804 4.143 20 5 DIBDRO Cc1cc(F)ccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474088812 1061634363 /nfs/dbraw/zinc/63/43/63/1061634363.db2.gz UGWYWRDPQKKCDE-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC001458225728 1061643788 /nfs/dbraw/zinc/64/37/88/1061643788.db2.gz ABLWNEBGPKFYJV-UHFFFAOYSA-N 1 0 317.433 4.112 20 5 DIBDRO CS[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)(C)C ZINC001474109880 1061658279 /nfs/dbraw/zinc/65/82/79/1061658279.db2.gz SKCVBBGDJXNEGO-HNNXBMFYSA-N 1 0 310.463 4.079 20 5 DIBDRO CC(C)C1CCC(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC001474131514 1061676672 /nfs/dbraw/zinc/67/66/72/1061676672.db2.gz LMCIXBIWKOGAHH-UHFFFAOYSA-N 1 0 304.434 4.189 20 5 DIBDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC001474132109 1061678651 /nfs/dbraw/zinc/67/86/51/1061678651.db2.gz YDLJQZUKUMOLJY-WBVHZDCISA-N 1 0 304.434 4.332 20 5 DIBDRO CC(C)CC[C@H]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC001474132108 1061679225 /nfs/dbraw/zinc/67/92/25/1061679225.db2.gz YDLJQZUKUMOLJY-RDJZCZTQSA-N 1 0 304.434 4.332 20 5 DIBDRO CC1(C2([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)CC1 ZINC001474145833 1061690796 /nfs/dbraw/zinc/69/07/96/1061690796.db2.gz XFVAVSIPBMXWGX-UHFFFAOYSA-N 1 0 312.369 4.277 20 5 DIBDRO Cc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])s1 ZINC001458312868 1061692347 /nfs/dbraw/zinc/69/23/47/1061692347.db2.gz YCCJZCSCBKVCLD-QWHCGFSZSA-N 1 0 323.462 4.030 20 5 DIBDRO Cn1cnc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)c1 ZINC001474174459 1061722291 /nfs/dbraw/zinc/72/22/91/1061722291.db2.gz IJKWHFLXIXKFRK-UHFFFAOYSA-N 1 0 315.420 4.059 20 5 DIBDRO CC[C@@H](C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001474203855 1061757322 /nfs/dbraw/zinc/75/73/22/1061757322.db2.gz WBONADLTLLHYCB-CYBMUJFWSA-N 1 0 302.374 4.381 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H]1C=CCC1 ZINC001474254983 1061821599 /nfs/dbraw/zinc/82/15/99/1061821599.db2.gz UOQYKSKUTBKNHY-IRVMHKCDSA-N 1 0 300.402 4.334 20 5 DIBDRO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001474256893 1061827895 /nfs/dbraw/zinc/82/78/95/1061827895.db2.gz YPXZZUXQDGNTOT-ZFDPJTLLSA-N 1 0 300.333 4.098 20 5 DIBDRO CC[NH+](CC)C[C@@H](O)CNc1ccc2cc3ccccc3cc2c1 ZINC001253198798 1061828976 /nfs/dbraw/zinc/82/89/76/1061828976.db2.gz IAPQAFVNUODRTP-NRFANRHFSA-N 1 0 322.452 4.108 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1(c2ccccc2)CC1 ZINC001474272097 1061838765 /nfs/dbraw/zinc/83/87/65/1061838765.db2.gz PQATZOKNSWNBEQ-UHFFFAOYSA-N 1 0 324.424 4.423 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)CCCCC3)cc1Cl ZINC001474311947 1061882582 /nfs/dbraw/zinc/88/25/82/1061882582.db2.gz BCVQRAVJEHWPPZ-UHFFFAOYSA-N 1 0 308.809 4.404 20 5 DIBDRO CC(C)(C)[NH2+]C[C@@H](O)CNc1cccc2cc3ccccc3cc21 ZINC001253400348 1061886723 /nfs/dbraw/zinc/88/67/23/1061886723.db2.gz VBMBVTGUKLWRHU-SFHVURJKSA-N 1 0 322.452 4.154 20 5 DIBDRO C[C@H]([N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(C)CC1 ZINC001474330478 1061917082 /nfs/dbraw/zinc/91/70/82/1061917082.db2.gz XGASIJTXFAUXQY-JTQLQIEISA-N 1 0 316.323 4.234 20 5 DIBDRO CC(C)[N@H+](Cc1cccn1C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001474365525 1061996272 /nfs/dbraw/zinc/99/62/72/1061996272.db2.gz JNTZYYFTIWHUBT-UHFFFAOYSA-N 1 0 323.343 4.202 20 5 DIBDRO CC1(C)CCC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001474380874 1062027900 /nfs/dbraw/zinc/02/79/00/1062027900.db2.gz FNOHLSJEDAYEBT-AWEZNQCLSA-N 1 0 302.418 4.169 20 5 DIBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC001474383085 1062031938 /nfs/dbraw/zinc/03/19/38/1062031938.db2.gz LNNBARYROILCGS-OLMNPRSZSA-N 1 0 302.418 4.038 20 5 DIBDRO CCCC(CCC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467056 1062123160 /nfs/dbraw/zinc/12/31/60/1062123160.db2.gz USCLIQZHPITSAB-UHFFFAOYSA-N 1 0 319.449 4.122 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC001474445480 1062124593 /nfs/dbraw/zinc/12/45/93/1062124593.db2.gz GAQZJCDVZGAHPL-VYDXJSESSA-N 1 0 304.434 4.474 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCCCCCC1 ZINC001459431843 1062141323 /nfs/dbraw/zinc/14/13/23/1062141323.db2.gz GZHMYAJNMIYSGI-UHFFFAOYSA-N 1 0 306.406 4.148 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C(F)F ZINC001254531608 1062163884 /nfs/dbraw/zinc/16/38/84/1062163884.db2.gz FMOFETORHSIIFQ-GFCCVEGCSA-N 1 0 320.339 4.253 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(F)cccc1Cl ZINC001254534690 1062164112 /nfs/dbraw/zinc/16/41/12/1062164112.db2.gz BBPHYAQOMHVPGE-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H]([NH3+])c1ccc2c(ccn2[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254532240 1062164194 /nfs/dbraw/zinc/16/41/94/1062164194.db2.gz LVTMSLCXDZAMTJ-UONOGXRCSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(Cl)c1 ZINC001254531343 1062164531 /nfs/dbraw/zinc/16/45/31/1062164531.db2.gz DRYYPCLBZRTUHR-ZDUSSCGKSA-N 1 0 318.804 4.012 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)ccc1Cl ZINC001254535479 1062164907 /nfs/dbraw/zinc/16/49/07/1062164907.db2.gz KLDQUPBTFWNYBA-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001254532239 1062165706 /nfs/dbraw/zinc/16/57/06/1062165706.db2.gz LVTMSLCXDZAMTJ-KGLIPLIRSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(F)c1Cl ZINC001254539322 1062166551 /nfs/dbraw/zinc/16/65/51/1062166551.db2.gz HDCNNDKCYRNDPA-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540949 1062166712 /nfs/dbraw/zinc/16/67/12/1062166712.db2.gz XEAVQNLEZLECLW-KSSFIOAISA-N 1 0 310.397 4.111 20 5 DIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540948 1062167938 /nfs/dbraw/zinc/16/79/38/1062167938.db2.gz XEAVQNLEZLECLW-KDOFPFPSSA-N 1 0 310.397 4.111 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC001254540211 1062168223 /nfs/dbraw/zinc/16/82/23/1062168223.db2.gz QHKBCSXREVNCSI-NWDGAFQWSA-N 1 0 320.339 4.155 20 5 DIBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254544151 1062171061 /nfs/dbraw/zinc/17/10/61/1062171061.db2.gz HZTYZBZYPSSPNK-HOTGVXAUSA-N 1 0 312.413 4.493 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254548208 1062173307 /nfs/dbraw/zinc/17/33/07/1062173307.db2.gz ZOIUVOZLNQMYRJ-LSDHHAIUSA-N 1 0 312.413 4.439 20 5 DIBDRO Cc1ccc(Cl)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254548781 1062173475 /nfs/dbraw/zinc/17/34/75/1062173475.db2.gz PSVBYZMDZGLWEA-ZDUSSCGKSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCc2ccccc2CC1 ZINC001254550993 1062173670 /nfs/dbraw/zinc/17/36/70/1062173670.db2.gz VAJHBOKNEUQPOK-HNNXBMFYSA-N 1 0 324.424 4.063 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001254550552 1062173886 /nfs/dbraw/zinc/17/38/86/1062173886.db2.gz LREDUEPWZWSOHO-HUUCEWRRSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001254550299 1062174004 /nfs/dbraw/zinc/17/40/04/1062174004.db2.gz HKFXDTUENJELLF-MAUKXSAKSA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001254550017 1062174364 /nfs/dbraw/zinc/17/43/64/1062174364.db2.gz ZDOVTALRYHTRQM-QAPCUYQASA-N 1 0 324.424 4.236 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001254559232 1062179403 /nfs/dbraw/zinc/17/94/03/1062179403.db2.gz JTMXFHPVUKBITD-VYDXJSESSA-N 1 0 302.418 4.180 20 5 DIBDRO Cc1ccc(CC[N@@H+](C)[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254560411 1062179808 /nfs/dbraw/zinc/17/98/08/1062179808.db2.gz RWSMXIZCUGTFIU-MRXNPFEDSA-N 1 0 312.413 4.009 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001254568462 1062184288 /nfs/dbraw/zinc/18/42/88/1062184288.db2.gz ZVDJBOYXZXPUHA-BHYGNILZSA-N 1 0 322.408 4.113 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(C)cc1 ZINC001254576170 1062185611 /nfs/dbraw/zinc/18/56/11/1062185611.db2.gz VAYDOXZGDATHJO-IEBWSBKVSA-N 1 0 310.397 4.111 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254572641 1062186515 /nfs/dbraw/zinc/18/65/15/1062186515.db2.gz RGGMAPFLZFSWBS-ZBFHGGJFSA-N 1 0 316.426 4.255 20 5 DIBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC001254572350 1062186840 /nfs/dbraw/zinc/18/68/40/1062186840.db2.gz LJEFIECIBUANGY-RISCZKNCSA-N 1 0 316.788 4.066 20 5 DIBDRO CC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(C)cc1 ZINC001254576156 1062187055 /nfs/dbraw/zinc/18/70/55/1062187055.db2.gz VAYDOXZGDATHJO-HKUYNNGSSA-N 1 0 310.397 4.111 20 5 DIBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581550 1062190302 /nfs/dbraw/zinc/19/03/02/1062190302.db2.gz OESNTOHUKTUEKY-WMLDXEAASA-N 1 0 310.397 4.030 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC001254581383 1062190343 /nfs/dbraw/zinc/19/03/43/1062190343.db2.gz JPWHAVROGQCQTL-LJQANCHMSA-N 1 0 318.376 4.005 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H](CC1CC1)c1ccccc1)C2 ZINC001254588155 1062192110 /nfs/dbraw/zinc/19/21/10/1062192110.db2.gz VPIUVFXSWOSJFS-QUCCMNQESA-N 1 0 322.408 4.193 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCCc3ccccc31)C2 ZINC001254590022 1062192791 /nfs/dbraw/zinc/19/27/91/1062192791.db2.gz SSZKDIKOWORWAA-PXNSSMCTSA-N 1 0 322.408 4.119 20 5 DIBDRO Cc1ccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C ZINC001459614437 1062245953 /nfs/dbraw/zinc/24/59/53/1062245953.db2.gz OOFUTVKINYQLPX-UHFFFAOYSA-N 1 0 324.424 4.419 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCSC1CCCCC1)CC2 ZINC001459657869 1062281643 /nfs/dbraw/zinc/28/16/43/1062281643.db2.gz QRRUVVFBMZDLJA-UHFFFAOYSA-N 1 0 320.458 4.019 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC2(CC=CC2)[C@H]1C(C)C ZINC001474609147 1062321144 /nfs/dbraw/zinc/32/11/44/1062321144.db2.gz BMGWKTRXZJSOMC-GOSISDBHSA-N 1 0 314.429 4.388 20 5 DIBDRO CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001474609096 1062323357 /nfs/dbraw/zinc/32/33/57/1062323357.db2.gz AITBARVSIXXIFX-YSVLISHTSA-N 1 0 322.474 4.180 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC001255360010 1062415918 /nfs/dbraw/zinc/41/59/18/1062415918.db2.gz KRACIJLKFYNASR-UHFFFAOYSA-N 1 0 306.312 4.131 20 5 DIBDRO C[C@@H]([NH2+]CCc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001459842362 1062441429 /nfs/dbraw/zinc/44/14/29/1062441429.db2.gz ITGYTTNYMUAODA-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)cc1Cl ZINC001255473361 1062454489 /nfs/dbraw/zinc/45/44/89/1062454489.db2.gz CQFQGFZRIBNLAR-UHFFFAOYSA-N 1 0 316.788 4.027 20 5 DIBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459967960 1062535081 /nfs/dbraw/zinc/53/50/81/1062535081.db2.gz MJBAQBWNXACROH-DOMZBBRYSA-N 1 0 324.396 4.143 20 5 DIBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459981937 1062543230 /nfs/dbraw/zinc/54/32/30/1062543230.db2.gz CQJBHOGFYYORGW-WFASDCNBSA-N 1 0 324.396 4.191 20 5 DIBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459981934 1062544364 /nfs/dbraw/zinc/54/43/64/1062544364.db2.gz CQJBHOGFYYORGW-IUODEOHRSA-N 1 0 324.396 4.191 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)Cc1ccsc1 ZINC001459999512 1062557837 /nfs/dbraw/zinc/55/78/37/1062557837.db2.gz ZNDBBECRKXVNMC-ZDUSSCGKSA-N 1 0 318.442 4.418 20 5 DIBDRO Cc1cccc2c1CC(C)(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001460139431 1062656962 /nfs/dbraw/zinc/65/69/62/1062656962.db2.gz LSDAMGGNDVLEDR-UHFFFAOYSA-N 1 0 324.424 4.283 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001460159489 1062670554 /nfs/dbraw/zinc/67/05/54/1062670554.db2.gz GJUIXRVNPKTYSZ-GQIGUUNPSA-N 1 0 324.424 4.404 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001460295351 1062763541 /nfs/dbraw/zinc/76/35/41/1062763541.db2.gz IKKMDUDRZFVEOY-XJKSGUPXSA-N 1 0 320.408 4.382 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c(Cl)c1 ZINC001460342828 1062791556 /nfs/dbraw/zinc/79/15/56/1062791556.db2.gz MEKWENCMGVNAQG-MRXNPFEDSA-N 1 0 308.809 4.403 20 5 DIBDRO COc1ccc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001460675174 1062979296 /nfs/dbraw/zinc/97/92/96/1062979296.db2.gz VYTGOFJIGFBTFA-INIZCTEOSA-N 1 0 318.417 4.006 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC001460870718 1063109683 /nfs/dbraw/zinc/10/96/83/1063109683.db2.gz HQFQFMFSGQVFNM-JYBLJSLWSA-N 1 0 308.381 4.273 20 5 DIBDRO CC(C)[NH+](CCCNc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC001472716576 1063177863 /nfs/dbraw/zinc/17/78/63/1063177863.db2.gz KSYKOHZJLMLVFE-UHFFFAOYSA-N 1 0 313.829 4.169 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3ccsc3)o2)c1 ZINC001461042740 1063208556 /nfs/dbraw/zinc/20/85/56/1063208556.db2.gz KVSNONRIWQNQQF-UHFFFAOYSA-N 1 0 314.366 4.206 20 5 DIBDRO CC(C)c1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC001461064348 1063229369 /nfs/dbraw/zinc/22/93/69/1063229369.db2.gz PDQYUCXSGLEZLD-LLVKDONJSA-N 1 0 305.403 4.026 20 5 DIBDRO CCC1(CC)CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001461168535 1063305958 /nfs/dbraw/zinc/30/59/58/1063305958.db2.gz CKDWYRUJLZJOHQ-UHFFFAOYSA-N 1 0 304.434 4.476 20 5 DIBDRO COc1ccc(C[NH2+]C[C@H](C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001461175609 1063312028 /nfs/dbraw/zinc/31/20/28/1063312028.db2.gz SNSOWLAVONVBBH-CQSZACIVSA-N 1 0 320.433 4.300 20 5 DIBDRO CSCC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461216365 1063339444 /nfs/dbraw/zinc/33/94/44/1063339444.db2.gz CMUVUYRLTCAKOJ-GFCCVEGCSA-N 1 0 320.414 4.086 20 5 DIBDRO Cc1cc(C)cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001461262579 1063375091 /nfs/dbraw/zinc/37/50/91/1063375091.db2.gz IUQCSAJAXQSCTE-UHFFFAOYSA-N 1 0 312.413 4.324 20 5 DIBDRO Cc1ccc(C)c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001461261082 1063375464 /nfs/dbraw/zinc/37/54/64/1063375464.db2.gz FBTJQAYITVUGRL-UHFFFAOYSA-N 1 0 312.413 4.324 20 5 DIBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CCCCC1 ZINC001473120456 1063421963 /nfs/dbraw/zinc/42/19/63/1063421963.db2.gz JOYKZMXQDOEYLK-UHFFFAOYSA-N 1 0 320.433 4.396 20 5 DIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C)C(C)C ZINC001473130094 1063436375 /nfs/dbraw/zinc/43/63/75/1063436375.db2.gz MFZOLQQKZICOHU-NSHDSACASA-N 1 0 318.339 4.480 20 5 DIBDRO CC(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001473129397 1063436455 /nfs/dbraw/zinc/43/64/55/1063436455.db2.gz CGOOSHKKHDDUQG-UHFFFAOYSA-N 1 0 312.413 4.296 20 5 DIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H](C)C(C)C ZINC001473129691 1063436850 /nfs/dbraw/zinc/43/68/50/1063436850.db2.gz GZYTYJBIAFGZDY-AWEZNQCLSA-N 1 0 308.422 4.248 20 5 DIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)C(C)C ZINC001473130091 1063437737 /nfs/dbraw/zinc/43/77/37/1063437737.db2.gz MFZOLQQKZICOHU-LLVKDONJSA-N 1 0 318.339 4.480 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001473165433 1063468842 /nfs/dbraw/zinc/46/88/42/1063468842.db2.gz ALQJYPOLOWLYMP-HNNXBMFYSA-N 1 0 320.433 4.252 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc3ccccc32)c1 ZINC001461405638 1063477495 /nfs/dbraw/zinc/47/74/95/1063477495.db2.gz RAOIOSHCOQVELA-UHFFFAOYSA-N 1 0 306.365 4.080 20 5 DIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001473175355 1063483356 /nfs/dbraw/zinc/48/33/56/1063483356.db2.gz JUNDIORTZYDTAK-IRXDYDNUSA-N 1 0 320.433 4.010 20 5 DIBDRO Cc1c(C[NH2+]C[C@@H](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC001461438810 1063505161 /nfs/dbraw/zinc/50/51/61/1063505161.db2.gz ZUJSNDWQCVFTMZ-HNNXBMFYSA-N 1 0 312.413 4.262 20 5 DIBDRO Cc1c(C[NH2+]C[C@H](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC001461438813 1063505804 /nfs/dbraw/zinc/50/58/04/1063505804.db2.gz ZUJSNDWQCVFTMZ-OAHLLOKOSA-N 1 0 312.413 4.262 20 5 DIBDRO Cc1cc(C)c(/C=C\C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1C ZINC001461459774 1063519867 /nfs/dbraw/zinc/51/98/67/1063519867.db2.gz DTQSIWPGRNAVER-VURMDHGXSA-N 1 0 324.424 4.366 20 5 DIBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001461515038 1063547496 /nfs/dbraw/zinc/54/74/96/1063547496.db2.gz LDURAIGBBFCMLY-PNUWANSTSA-N 1 0 302.418 4.414 20 5 DIBDRO Cc1scc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1C ZINC001461542132 1063571756 /nfs/dbraw/zinc/57/17/56/1063571756.db2.gz JEWDQXQVKOKLRB-UHFFFAOYSA-N 1 0 304.415 4.298 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001461622102 1063618677 /nfs/dbraw/zinc/61/86/77/1063618677.db2.gz UABOMFRKGKYVAR-VIKVFOODSA-N 1 0 304.434 4.374 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CC=CC3)s2)cc1 ZINC001461648120 1063634254 /nfs/dbraw/zinc/63/42/54/1063634254.db2.gz NTZOBOXMPSPHJX-UHFFFAOYSA-N 1 0 314.410 4.379 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001461712473 1063673556 /nfs/dbraw/zinc/67/35/56/1063673556.db2.gz HTRDDZDPHSCWSC-HNNXBMFYSA-N 1 0 320.433 4.013 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001461757027 1063699527 /nfs/dbraw/zinc/69/95/27/1063699527.db2.gz YFBGNCFTFPCJRV-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC=CCCC1 ZINC001461811143 1063730584 /nfs/dbraw/zinc/73/05/84/1063730584.db2.gz MTJNAAVAVBOMHY-MRXNPFEDSA-N 1 0 302.418 4.438 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ccsc1 ZINC001461833143 1063740463 /nfs/dbraw/zinc/74/04/63/1063740463.db2.gz XHOFZUWLTILTCO-UVTDQMKNSA-N 1 0 316.426 4.282 20 5 DIBDRO CSC(C)(C)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001461869989 1063764233 /nfs/dbraw/zinc/76/42/33/1063764233.db2.gz OMXQUYHHLSFVNP-UHFFFAOYSA-N 1 0 308.447 4.091 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001462015466 1063877498 /nfs/dbraw/zinc/87/74/98/1063877498.db2.gz UOMPTOLEWFQZFA-ZIAGYGMSSA-N 1 0 310.825 4.205 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001462120715 1063937677 /nfs/dbraw/zinc/93/76/77/1063937677.db2.gz XKNFXYYFDJDRIH-RBUKOAKNSA-N 1 0 324.424 4.138 20 5 DIBDRO Cc1ccc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001306929984 1065209814 /nfs/dbraw/zinc/20/98/14/1065209814.db2.gz FENGHAHDYMTPLI-GOSISDBHSA-N 1 0 319.449 4.072 20 5 DIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC001307426410 1065386882 /nfs/dbraw/zinc/38/68/82/1065386882.db2.gz IPMPAQJFPASVED-GOSISDBHSA-N 1 0 314.360 4.379 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC001307512805 1065453144 /nfs/dbraw/zinc/45/31/44/1065453144.db2.gz GNECOHYELDTWHO-CYBMUJFWSA-N 1 0 304.415 4.028 20 5 DIBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307548173 1065476954 /nfs/dbraw/zinc/47/69/54/1065476954.db2.gz PNIMMYJWAJOMPN-QAPCUYQASA-N 1 0 320.433 4.264 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001307576589 1065491152 /nfs/dbraw/zinc/49/11/52/1065491152.db2.gz YKLFXMNRRPYDHP-ZFWWWQNUSA-N 1 0 308.397 4.428 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC001307581907 1065496702 /nfs/dbraw/zinc/49/67/02/1065496702.db2.gz DKLHHOWKPVXDOJ-ZDUSSCGKSA-N 1 0 324.396 4.001 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(C)c(F)c1 ZINC001307610375 1065514455 /nfs/dbraw/zinc/51/44/55/1065514455.db2.gz AYPQTRSLAPOMJC-QGZVFWFLSA-N 1 0 320.339 4.422 20 5 DIBDRO Cc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001307676144 1065555996 /nfs/dbraw/zinc/55/59/96/1065555996.db2.gz VIDLJTMRUVOXGC-DOTOQJQBSA-N 1 0 310.397 4.454 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001307691207 1065566134 /nfs/dbraw/zinc/56/61/34/1065566134.db2.gz QYDXWOKXEWMERR-QAPCUYQASA-N 1 0 320.433 4.168 20 5 DIBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC001307709453 1065577771 /nfs/dbraw/zinc/57/77/71/1065577771.db2.gz PKVFMTMRXIVUHI-AWEZNQCLSA-N 1 0 318.442 4.418 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCCC12CCCC2 ZINC001307793551 1065623588 /nfs/dbraw/zinc/62/35/88/1065623588.db2.gz RCZGMAILVWCZKH-KRWDZBQOSA-N 1 0 318.417 4.196 20 5 DIBDRO CCc1ccc([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001307800081 1065627496 /nfs/dbraw/zinc/62/74/96/1065627496.db2.gz QFGQSWRFSRBLHE-IBGZPJMESA-N 1 0 324.424 4.189 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001307800788 1065628143 /nfs/dbraw/zinc/62/81/43/1065628143.db2.gz GDKNLTIXWQDOIQ-ZRGWGRIASA-N 1 0 310.397 4.361 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(c2ccccc2)CC1 ZINC001308197068 1065806072 /nfs/dbraw/zinc/80/60/72/1065806072.db2.gz HAEUOBXFVZGQSL-FOWTUZBSSA-N 1 0 322.408 4.320 20 5 DIBDRO CCC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001308254503 1065859523 /nfs/dbraw/zinc/85/95/23/1065859523.db2.gz SNTMSLMSDXGWNB-SFHVURJKSA-N 1 0 312.413 4.311 20 5 DIBDRO Cc1cccc2c(CC[NH2+]Cc3cccc([N+](=O)[O-])c3C)c[nH]c21 ZINC001308277994 1065875761 /nfs/dbraw/zinc/87/57/61/1065875761.db2.gz UJHGWVNTQBPNRA-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO CS[C@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001308295944 1065892142 /nfs/dbraw/zinc/89/21/42/1065892142.db2.gz OZOKCZWBFTUICH-WBVHZDCISA-N 1 0 322.474 4.181 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001308295940 1065893348 /nfs/dbraw/zinc/89/33/48/1065893348.db2.gz OZOKCZWBFTUICH-DOTOQJQBSA-N 1 0 322.474 4.181 20 5 DIBDRO CCC(CC)[C@@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC001308339768 1065924639 /nfs/dbraw/zinc/92/46/39/1065924639.db2.gz KKXNRTGGZQILCN-GOSISDBHSA-N 1 0 322.449 4.143 20 5 DIBDRO CC(C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001308376065 1065949562 /nfs/dbraw/zinc/94/95/62/1065949562.db2.gz CADDGMFPNZIKCY-GOSISDBHSA-N 1 0 312.413 4.199 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CC[C@H]4C[C@H]4C3)o2)c1 ZINC001308456313 1066000732 /nfs/dbraw/zinc/00/07/32/1066000732.db2.gz FKSUHUZDNMDOIM-AEGPPILISA-N 1 0 312.369 4.133 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1C[C@@H](C)C[C@H](C)C1 ZINC001308459637 1066002397 /nfs/dbraw/zinc/00/23/97/1066002397.db2.gz IXLAFXLDOASPJH-KBPBESRZSA-N 1 0 320.433 4.155 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1C ZINC000903286587 1066100919 /nfs/dbraw/zinc/10/09/19/1066100919.db2.gz BOAMBJKLIHTGMD-KGLIPLIRSA-N 1 0 314.385 4.329 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000903289821 1066103958 /nfs/dbraw/zinc/10/39/58/1066103958.db2.gz YEYLPKBFFNFMOG-ZIAGYGMSSA-N 1 0 313.401 4.073 20 5 DIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001308660616 1066142016 /nfs/dbraw/zinc/14/20/16/1066142016.db2.gz MGEPYCSFHFCSFL-SFHVURJKSA-N 1 0 314.360 4.379 20 5 DIBDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308700882 1066187080 /nfs/dbraw/zinc/18/70/80/1066187080.db2.gz DHESGBXEBYJNDS-LLVKDONJSA-N 1 0 316.323 4.378 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C(C1CCC1)C1CCC1 ZINC001308754754 1066226645 /nfs/dbraw/zinc/22/66/45/1066226645.db2.gz KGQJAHJAGXJWMT-AWEZNQCLSA-N 1 0 316.445 4.474 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC001308856668 1066335743 /nfs/dbraw/zinc/33/57/43/1066335743.db2.gz JGWLSTKQGORGDG-ZRGWGRIASA-N 1 0 324.424 4.234 20 5 DIBDRO Cc1ccc(CC2C[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)cc1 ZINC001308867121 1066349703 /nfs/dbraw/zinc/34/97/03/1066349703.db2.gz JTJJWTHQYXXXAR-UHFFFAOYSA-N 1 0 324.424 4.195 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001308983423 1066431833 /nfs/dbraw/zinc/43/18/33/1066431833.db2.gz DBOCZECHPZAPGL-DZGCQCFKSA-N 1 0 308.809 4.164 20 5 DIBDRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182772179 335001694 /nfs/dbraw/zinc/00/16/94/335001694.db2.gz SIQCBHRAQJBUHH-DOTOQJQBSA-N 1 0 320.433 4.245 20 5 DIBDRO Cc1ccsc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278279351 130677270 /nfs/dbraw/zinc/67/72/70/130677270.db2.gz PXBYQHJJBYHLLB-HNNXBMFYSA-N 1 0 302.399 4.132 20 5 DIBDRO CSCc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000284946858 131125601 /nfs/dbraw/zinc/12/56/01/131125601.db2.gz BOOCCTHQMKRMMW-CYBMUJFWSA-N 1 0 316.426 4.309 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000297211755 132004155 /nfs/dbraw/zinc/00/41/55/132004155.db2.gz GQXKWVKKYLLXNZ-SJCJKPOMSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000297348279 132011481 /nfs/dbraw/zinc/01/14/81/132011481.db2.gz OYRBXRZKEQVOEW-UWVGGRQHSA-N 1 0 324.302 4.424 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1sc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000119854926 132138551 /nfs/dbraw/zinc/13/85/51/132138551.db2.gz YYDNCYYLULFPHF-OAHLLOKOSA-N 1 0 319.430 4.299 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000172831374 332818481 /nfs/dbraw/zinc/81/84/81/332818481.db2.gz OVYWJCCNEVHARN-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000035253703 331490653 /nfs/dbraw/zinc/49/06/53/331490653.db2.gz HGMOVCSWUSBMHY-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1C(C)C ZINC000538019460 331564174 /nfs/dbraw/zinc/56/41/74/331564174.db2.gz RXBMBJAKNPPOIO-MPGHIAIKSA-N 1 0 320.433 4.005 20 5 DIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000078974400 331678697 /nfs/dbraw/zinc/67/86/97/331678697.db2.gz ADHXPHMELQNDOG-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H]3C(F)F)s2)cc1 ZINC000558132258 331878750 /nfs/dbraw/zinc/87/87/50/331878750.db2.gz OZPCELKWBLGMGN-STQMWFEESA-N 1 0 324.352 4.067 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000537958046 331894840 /nfs/dbraw/zinc/89/48/40/331894840.db2.gz DWMGBRGBLFJFGB-SJORKVTESA-N 1 0 312.369 4.078 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000518272738 332004374 /nfs/dbraw/zinc/00/43/74/332004374.db2.gz IFTURQZNPDDZOL-CQSZACIVSA-N 1 0 316.401 4.422 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000409632794 332042819 /nfs/dbraw/zinc/04/28/19/332042819.db2.gz QWMWCDZCUJKOBD-UHFFFAOYSA-N 1 0 300.358 4.277 20 5 DIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000181274555 332189250 /nfs/dbraw/zinc/18/92/50/332189250.db2.gz VUAXVMHUDUQKGX-XCRHUMRWSA-N 1 0 320.433 4.229 20 5 DIBDRO COc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000102535266 332226061 /nfs/dbraw/zinc/22/60/61/332226061.db2.gz BEPZRAMDRIDSBG-GOSISDBHSA-N 1 0 314.385 4.090 20 5 DIBDRO Cc1c(C[NH2+]C2CC(c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000323147152 332352610 /nfs/dbraw/zinc/35/26/10/332352610.db2.gz CWMDHGJSMGLOCH-UHFFFAOYSA-N 1 0 314.360 4.078 20 5 DIBDRO C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000560908483 332393269 /nfs/dbraw/zinc/39/32/69/332393269.db2.gz KGBGBFGMIRLGHX-OAHLLOKOSA-N 1 0 310.397 4.268 20 5 DIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000323221852 332405639 /nfs/dbraw/zinc/40/56/39/332405639.db2.gz ZKWCVYKHZMCUTC-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CCC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000561527706 332459406 /nfs/dbraw/zinc/45/94/06/332459406.db2.gz NETNWMJUCFWFQV-UHFFFAOYSA-N 1 0 320.433 4.015 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(F)c1 ZINC000318448938 332730462 /nfs/dbraw/zinc/73/04/62/332730462.db2.gz BGURFONEACPUIQ-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1cc(N[C@@H](C)c2cccc(O)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302882037 332986833 /nfs/dbraw/zinc/98/68/33/332986833.db2.gz JNEIZOCWYXMUGG-LBPRGKRZSA-N 1 0 323.352 4.330 20 5 DIBDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000522716711 333175151 /nfs/dbraw/zinc/17/51/51/333175151.db2.gz QFKKGQYJFLHEJV-CABCVRRESA-N 1 0 322.474 4.482 20 5 DIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000531202365 333330664 /nfs/dbraw/zinc/33/06/64/333330664.db2.gz ULQRNEXDGQSTCL-IUODEOHRSA-N 1 0 302.399 4.034 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000531213146 333335032 /nfs/dbraw/zinc/33/50/32/333335032.db2.gz SZBDBYMUKCDAKK-WCQYABFASA-N 1 0 316.323 4.053 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000323536937 333374990 /nfs/dbraw/zinc/37/49/90/333374990.db2.gz YVAKSZORIZQENJ-SFHVURJKSA-N 1 0 310.397 4.461 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000319661414 333394099 /nfs/dbraw/zinc/39/40/99/333394099.db2.gz FSGQLCMUWHOHNH-CQSZACIVSA-N 1 0 310.397 4.324 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000390856927 333400202 /nfs/dbraw/zinc/40/02/02/333400202.db2.gz ADDPHCGHHQDQNK-KBPBESRZSA-N 1 0 310.397 4.495 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000268783049 333994158 /nfs/dbraw/zinc/99/41/58/333994158.db2.gz JFXJOZBRTDLGJZ-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO CSCCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000467555270 334267939 /nfs/dbraw/zinc/26/79/39/334267939.db2.gz UPBWFCUXNVDBLK-UHFFFAOYSA-N 1 0 320.414 4.040 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000531947895 334302660 /nfs/dbraw/zinc/30/26/60/334302660.db2.gz JWZRPSLTZHVRND-KBPBESRZSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000531947896 334302668 /nfs/dbraw/zinc/30/26/68/334302668.db2.gz JWZRPSLTZHVRND-KGLIPLIRSA-N 1 0 302.374 4.168 20 5 DIBDRO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000535084931 334367030 /nfs/dbraw/zinc/36/70/30/334367030.db2.gz GLPMRQGTTUTAKC-UHFFFAOYSA-N 1 0 314.385 4.014 20 5 DIBDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188114419 334642511 /nfs/dbraw/zinc/64/25/11/334642511.db2.gz GKRGVZSTYJRCDY-NWDGAFQWSA-N 1 0 320.414 4.009 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCC(F)(F)F)CCCC2 ZINC000417318215 334707963 /nfs/dbraw/zinc/70/79/63/334707963.db2.gz YGIGIIXVHJBGHE-CQSZACIVSA-N 1 0 316.323 4.294 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2occc21 ZINC000344473624 335251870 /nfs/dbraw/zinc/25/18/70/335251870.db2.gz FVUIJZWTNQYWRJ-CJNGLKHVSA-N 1 0 314.385 4.176 20 5 DIBDRO CC[NH+](CC)Cc1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000514518426 335645964 /nfs/dbraw/zinc/64/59/64/335645964.db2.gz JBBMYZIWOUJKSX-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000326905351 335651264 /nfs/dbraw/zinc/65/12/64/335651264.db2.gz LVSMXVFDZFXWQR-CQSZACIVSA-N 1 0 323.396 4.246 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C4CCC3CC4)s2)cc1 ZINC000535780351 335766773 /nfs/dbraw/zinc/76/67/73/335766773.db2.gz WWWYCGDROWBEFM-UHFFFAOYSA-N 1 0 314.410 4.450 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000194384386 338517003 /nfs/dbraw/zinc/51/70/03/338517003.db2.gz NFZPKLVTDNRDQO-WDEREUQCSA-N 1 0 319.430 4.388 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000532442621 336247670 /nfs/dbraw/zinc/24/76/70/336247670.db2.gz WNWRUDLVDLEPSA-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000532462998 336248849 /nfs/dbraw/zinc/24/88/49/336248849.db2.gz RLWBKGMEIXDGMD-XIKOKIGWSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000532465538 336249286 /nfs/dbraw/zinc/24/92/86/336249286.db2.gz TZZRQNWDEVXRHK-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO Cc1cccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000532492257 336250556 /nfs/dbraw/zinc/25/05/56/336250556.db2.gz OLHXYDINFGKZBC-LJQANCHMSA-N 1 0 324.424 4.057 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000532529300 336253710 /nfs/dbraw/zinc/25/37/10/336253710.db2.gz RABGHEPGIHCAOZ-HIFRSBDPSA-N 1 0 316.401 4.477 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000192757439 336260619 /nfs/dbraw/zinc/26/06/19/336260619.db2.gz MBFZFMMUQCHPIA-CXAGYDPISA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000527042037 336280658 /nfs/dbraw/zinc/28/06/58/336280658.db2.gz CLYWIGNLIRYCEF-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000389494196 336396710 /nfs/dbraw/zinc/39/67/10/336396710.db2.gz TXJYFWVCAGAJLU-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(C2CC2)cc1 ZINC000418115318 336822006 /nfs/dbraw/zinc/82/20/06/336822006.db2.gz ONXUQNBNGKNFRU-GFCCVEGCSA-N 1 0 314.360 4.462 20 5 DIBDRO CC(C)([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000429249725 337146162 /nfs/dbraw/zinc/14/61/62/337146162.db2.gz CFWVOCGSVLTDPJ-LBPRGKRZSA-N 1 0 312.360 4.245 20 5 DIBDRO C[C@H]1CCCC[C@H]1OCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429262114 337156600 /nfs/dbraw/zinc/15/66/00/337156600.db2.gz DJXZQCAEOZAOBU-WMLDXEAASA-N 1 0 320.433 4.015 20 5 DIBDRO CCOCCC1(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000181359527 337181555 /nfs/dbraw/zinc/18/15/55/337181555.db2.gz NJTZPOFYDBSFNG-KRWDZBQOSA-N 1 0 320.433 4.232 20 5 DIBDRO CCC[C@@H]([NH2+]CCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000181484621 337182363 /nfs/dbraw/zinc/18/23/63/337182363.db2.gz HBCPSHXAESMDOU-GOSISDBHSA-N 1 0 313.401 4.053 20 5 DIBDRO CC[C@@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000181776383 337184538 /nfs/dbraw/zinc/18/45/38/337184538.db2.gz VWOMDVIIMSKVPW-HZPDHXFCSA-N 1 0 317.389 4.392 20 5 DIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000583170313 337250657 /nfs/dbraw/zinc/25/06/57/337250657.db2.gz UATNNXCRPYZWGG-QGZVFWFLSA-N 1 0 314.385 4.187 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000186932192 337260515 /nfs/dbraw/zinc/26/05/15/337260515.db2.gz ZLBLGBRCFSWSSI-UHFFFAOYSA-N 1 0 302.399 4.036 20 5 DIBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000583314842 337314092 /nfs/dbraw/zinc/31/40/92/337314092.db2.gz WAHAZVNHDXGELC-MRXNPFEDSA-N 1 0 300.358 4.133 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000161786607 337597237 /nfs/dbraw/zinc/59/72/37/337597237.db2.gz NPSVJSCDMGVPGB-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CCOCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000161879729 337598359 /nfs/dbraw/zinc/59/83/59/337598359.db2.gz FQPDOUBAKHTUJP-GFCCVEGCSA-N 1 0 320.414 4.010 20 5 DIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433294398 337728337 /nfs/dbraw/zinc/72/83/37/337728337.db2.gz LRRCOKGJERTCBI-ABAIWWIYSA-N 1 0 324.371 4.485 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000536832931 337734877 /nfs/dbraw/zinc/73/48/77/337734877.db2.gz MALHFIVYHGLERB-GFCCVEGCSA-N 1 0 304.415 4.166 20 5 DIBDRO Cc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000536867191 337749627 /nfs/dbraw/zinc/74/96/27/337749627.db2.gz CGGHWLQWNPRSCK-IBGZPJMESA-N 1 0 324.424 4.057 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC34CC4)o2)c(Cl)c1 ZINC000424186334 337802065 /nfs/dbraw/zinc/80/20/65/337802065.db2.gz RWTRMVKUDSCLIT-OAHLLOKOSA-N 1 0 318.760 4.150 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000119404999 337859341 /nfs/dbraw/zinc/85/93/41/337859341.db2.gz WYIZCDFIRUUVOQ-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000122274660 337913539 /nfs/dbraw/zinc/91/35/39/337913539.db2.gz CZLHISPDKWJWNH-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO CC(C)C[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000537320101 337930899 /nfs/dbraw/zinc/93/08/99/337930899.db2.gz BEBIXIROOPKEBV-GFCCVEGCSA-N 1 0 319.430 4.243 20 5 DIBDRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000537452768 337937187 /nfs/dbraw/zinc/93/71/87/337937187.db2.gz BKXCXNMHCBMJQT-GFCCVEGCSA-N 1 0 300.333 4.074 20 5 DIBDRO CCC(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000428550306 338056035 /nfs/dbraw/zinc/05/60/35/338056035.db2.gz QUABBAVXCSDOOL-UHFFFAOYSA-N 1 0 319.430 4.244 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430035636 338094011 /nfs/dbraw/zinc/09/40/11/338094011.db2.gz CBGLLSMEEREESU-WEKMIXOTSA-N 1 0 310.344 4.023 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000430193779 338100472 /nfs/dbraw/zinc/10/04/72/338100472.db2.gz AVUHPPKDMMQQOZ-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CC1(C)C[C@H]([NH2+]CC2CCSCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433116411 338182211 /nfs/dbraw/zinc/18/22/11/338182211.db2.gz KWFPUVPXCUTWID-INIZCTEOSA-N 1 0 320.458 4.050 20 5 DIBDRO Cc1ccccc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433125871 338182462 /nfs/dbraw/zinc/18/24/62/338182462.db2.gz MESJIOWRQRJAEQ-SFHVURJKSA-N 1 0 310.397 4.415 20 5 DIBDRO Cc1ccsc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433155196 338183308 /nfs/dbraw/zinc/18/33/08/338183308.db2.gz WWXQDOKQEJKQAI-OAHLLOKOSA-N 1 0 316.426 4.477 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]C(C2CC2)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433178225 338184267 /nfs/dbraw/zinc/18/42/67/338184267.db2.gz WFUUSJVRQQARMS-MRXNPFEDSA-N 1 0 300.402 4.095 20 5 DIBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285092 338189201 /nfs/dbraw/zinc/18/92/01/338189201.db2.gz LBJSJJCAHRVYJN-WBMJQRKESA-N 1 0 320.433 4.110 20 5 DIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000434894088 338226976 /nfs/dbraw/zinc/22/69/76/338226976.db2.gz DGOFRAVZBBHROH-BEFAXECRSA-N 1 0 310.397 4.015 20 5 DIBDRO CSc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000435777154 338248716 /nfs/dbraw/zinc/24/87/16/338248716.db2.gz CGXBWPUVBXNHEM-ZDUSSCGKSA-N 1 0 316.426 4.210 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000437099225 338300770 /nfs/dbraw/zinc/30/07/70/338300770.db2.gz QKNLIOHXRGUWAK-GXFFZTMASA-N 1 0 304.312 4.222 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)CCC2 ZINC000447587074 338559779 /nfs/dbraw/zinc/55/97/79/338559779.db2.gz OJACXLWKPWIDQY-RBUKOAKNSA-N 1 0 323.396 4.108 20 5 DIBDRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449163033 338598243 /nfs/dbraw/zinc/59/82/43/338598243.db2.gz UTEAQQVBVXHKME-STQMWFEESA-N 1 0 318.442 4.117 20 5 DIBDRO Cc1csc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000449481927 338629358 /nfs/dbraw/zinc/62/93/58/338629358.db2.gz WSEVSIKBKPHRKX-UHFFFAOYSA-N 1 0 304.415 4.378 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000453247854 338813881 /nfs/dbraw/zinc/81/38/81/338813881.db2.gz BGJBNZMQINBJEJ-GFCCVEGCSA-N 1 0 314.360 4.462 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000459787850 339048548 /nfs/dbraw/zinc/04/85/48/339048548.db2.gz PCWKMPXQNVFTAN-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000462543681 339080895 /nfs/dbraw/zinc/08/08/95/339080895.db2.gz USAGZGLEPJICNX-SJCJKPOMSA-N 1 0 316.426 4.460 20 5 DIBDRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000462542537 339081020 /nfs/dbraw/zinc/08/10/20/339081020.db2.gz NDZULZWYQYCTKV-AUUYWEPGSA-N 1 0 310.397 4.398 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000462760695 339087259 /nfs/dbraw/zinc/08/72/59/339087259.db2.gz KYVGOFXVVBCHDA-UHFFFAOYSA-N 1 0 324.380 4.454 20 5 DIBDRO Cc1cc(F)ccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000462770829 339087718 /nfs/dbraw/zinc/08/77/18/339087718.db2.gz ZFTMTTYSNDSOIJ-UHFFFAOYSA-N 1 0 316.376 4.155 20 5 DIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000464781277 339153385 /nfs/dbraw/zinc/15/33/85/339153385.db2.gz XXAPCKZLKPPIAX-GJZGRUSLSA-N 1 0 308.447 4.009 20 5 DIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCC3CCCC3)CC2)cc1 ZINC000464783450 339153612 /nfs/dbraw/zinc/15/36/12/339153612.db2.gz KZVJWNCOXXGHHU-UHFFFAOYSA-N 1 0 318.417 4.018 20 5 DIBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000464849776 339157773 /nfs/dbraw/zinc/15/77/73/339157773.db2.gz IQYLYRVVVDPGQN-YOEHRIQHSA-N 1 0 314.385 4.204 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000466402218 339202634 /nfs/dbraw/zinc/20/26/34/339202634.db2.gz SLZFTQXLOWWNGR-QAQDUYKDSA-N 1 0 310.397 4.247 20 5 DIBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000467189507 339227516 /nfs/dbraw/zinc/22/75/16/339227516.db2.gz DXQSCENFCKTLGW-HUUCEWRRSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000467209575 339228375 /nfs/dbraw/zinc/22/83/75/339228375.db2.gz XPCFSGZUNYIVHL-RHSMWYFYSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@H]([NH2+]CCSCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000467847421 339247583 /nfs/dbraw/zinc/24/75/83/339247583.db2.gz YBUJXFUXXGMWSJ-AWEZNQCLSA-N 1 0 316.426 4.179 20 5 DIBDRO Cc1cccc2c(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000467851490 339247628 /nfs/dbraw/zinc/24/76/28/339247628.db2.gz NMOHDTGDUKXMPK-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467863508 339248020 /nfs/dbraw/zinc/24/80/20/339248020.db2.gz NXWZEDDSFJFQJG-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000467969976 339250242 /nfs/dbraw/zinc/25/02/42/339250242.db2.gz OIFRHJILQJTODE-CYBMUJFWSA-N 1 0 310.353 4.234 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000467979405 339250311 /nfs/dbraw/zinc/25/03/11/339250311.db2.gz ACQSUXVSJAAJTH-OAHLLOKOSA-N 1 0 312.413 4.093 20 5 DIBDRO C[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000467999064 339250726 /nfs/dbraw/zinc/25/07/26/339250726.db2.gz WFGTZLRAZXHCQS-CYBMUJFWSA-N 1 0 318.804 4.184 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000468005004 339250964 /nfs/dbraw/zinc/25/09/64/339250964.db2.gz OBLYACWCNXRCFV-MRXNPFEDSA-N 1 0 302.349 4.017 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCc1ccco1 ZINC000468385191 339261265 /nfs/dbraw/zinc/26/12/65/339261265.db2.gz UZVXYWQLZXZSOU-CABCVRRESA-N 1 0 316.401 4.120 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ccccc1 ZINC000468643273 339267799 /nfs/dbraw/zinc/26/77/99/339267799.db2.gz XVTMPAAKOZPYFE-DTQAZKPQSA-N 1 0 310.397 4.221 20 5 DIBDRO C[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000470361466 339318243 /nfs/dbraw/zinc/31/82/43/339318243.db2.gz DJAOVNANHNCGRB-CYBMUJFWSA-N 1 0 318.804 4.184 20 5 DIBDRO Cc1ccc(SC[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000472151756 339364448 /nfs/dbraw/zinc/36/44/48/339364448.db2.gz GHPDCGGWICSPOV-LBPRGKRZSA-N 1 0 322.455 4.235 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCC4(CC4)C3)o2)c1 ZINC000473072736 339380969 /nfs/dbraw/zinc/38/09/69/339380969.db2.gz NDBZMSLJTLRYAR-UHFFFAOYSA-N 1 0 312.369 4.231 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000474014841 339397053 /nfs/dbraw/zinc/39/70/53/339397053.db2.gz KLLRBKAVIBWJKY-NSHDSACASA-N 1 0 314.316 4.331 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000474067922 339400568 /nfs/dbraw/zinc/40/05/68/339400568.db2.gz UWGDVGKYQZHMEA-NWDGAFQWSA-N 1 0 312.360 4.459 20 5 DIBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCc2ccccc21 ZINC000478271814 339512182 /nfs/dbraw/zinc/51/21/82/339512182.db2.gz GVIFSPTUZYNTHT-GOSISDBHSA-N 1 0 314.360 4.075 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000479567547 339541496 /nfs/dbraw/zinc/54/14/96/339541496.db2.gz NWMDZIMQFHXZEM-KRWDZBQOSA-N 1 0 316.788 4.068 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000481311099 339600786 /nfs/dbraw/zinc/60/07/86/339600786.db2.gz KLVCZQGPEVIOEM-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)cs1 ZINC000481820730 339614594 /nfs/dbraw/zinc/61/45/94/339614594.db2.gz YAYUPOJSDCTHLI-QWHCGFSZSA-N 1 0 320.389 4.221 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CSc3ccccc32)cccc1[N+](=O)[O-] ZINC000483174548 339655142 /nfs/dbraw/zinc/65/51/42/339655142.db2.gz QZPNZNMIKYKARI-SWLSCSKDSA-N 1 0 314.410 4.401 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000483870633 339677408 /nfs/dbraw/zinc/67/74/08/339677408.db2.gz KLXDXEFCNPTPPG-PBHICJAKSA-N 1 0 308.422 4.005 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000484496250 339688015 /nfs/dbraw/zinc/68/80/15/339688015.db2.gz YGTSEAUVHZSXIY-QGZVFWFLSA-N 1 0 320.339 4.156 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485831255 339713939 /nfs/dbraw/zinc/71/39/39/339713939.db2.gz GMVNWXSRPZCZLQ-LLVKDONJSA-N 1 0 313.382 4.055 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000486717815 339732392 /nfs/dbraw/zinc/73/23/92/339732392.db2.gz AYTKFKBZAFSOHL-LLVKDONJSA-N 1 0 313.332 4.066 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000491595624 339868337 /nfs/dbraw/zinc/86/83/37/339868337.db2.gz BYKSQVLJJMMPAJ-CYBMUJFWSA-N 1 0 312.360 4.208 20 5 DIBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000491906428 339886534 /nfs/dbraw/zinc/88/65/34/339886534.db2.gz BDBITVGTGXMZSK-LBTNJELSSA-N 1 0 314.385 4.022 20 5 DIBDRO Cc1ccc(F)cc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000491997804 339888796 /nfs/dbraw/zinc/88/87/96/339888796.db2.gz ISTKFOWKUMXQEX-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000492223314 339894667 /nfs/dbraw/zinc/89/46/67/339894667.db2.gz HBMFVAZAOBGAGO-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000492237394 339895049 /nfs/dbraw/zinc/89/50/49/339895049.db2.gz BCLDCGKCSIGXTF-GOSISDBHSA-N 1 0 310.397 4.379 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000494450014 339949582 /nfs/dbraw/zinc/94/95/82/339949582.db2.gz ZIVWADCGIZLWAI-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO Cc1cscc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000494472906 339950547 /nfs/dbraw/zinc/95/05/47/339950547.db2.gz OUXXEVHPKQDYKG-CYBMUJFWSA-N 1 0 304.415 4.076 20 5 DIBDRO CCC[N@H+](CCc1cccc(F)c1)Cc1csc([N+](=O)[O-])c1 ZINC000500234719 340053728 /nfs/dbraw/zinc/05/37/28/340053728.db2.gz XWVNSOOEVKFKGU-UHFFFAOYSA-N 1 0 322.405 4.250 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCC3)o2)c(Cl)c1 ZINC000501365882 340079207 /nfs/dbraw/zinc/07/92/07/340079207.db2.gz WUGBKVOTBPNCTH-UHFFFAOYSA-N 1 0 306.749 4.150 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000502579879 340108437 /nfs/dbraw/zinc/10/84/37/340108437.db2.gz QRWKXGJDYWTMEP-QWHCGFSZSA-N 1 0 312.360 4.379 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)CCC2 ZINC000502590873 340108693 /nfs/dbraw/zinc/10/86/93/340108693.db2.gz IBTNAESOWKKCCY-LRDDRELGSA-N 1 0 324.371 4.387 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000503709578 340134096 /nfs/dbraw/zinc/13/40/96/340134096.db2.gz QCNPNMKRLMFTBR-HNNXBMFYSA-N 1 0 314.360 4.032 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C(C1CC1)C1CC1 ZINC000504912158 340155928 /nfs/dbraw/zinc/15/59/28/340155928.db2.gz RILHFFMBALNWIO-AWEZNQCLSA-N 1 0 320.458 4.244 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C(C1CC1)C1CC1 ZINC000504912159 340155978 /nfs/dbraw/zinc/15/59/78/340155978.db2.gz RILHFFMBALNWIO-CQSZACIVSA-N 1 0 320.458 4.244 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000504912228 340155990 /nfs/dbraw/zinc/15/59/90/340155990.db2.gz SIOQQJGOSBQRCP-ZIAGYGMSSA-N 1 0 304.390 4.000 20 5 DIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505868509 340180229 /nfs/dbraw/zinc/18/02/29/340180229.db2.gz OCVLHBBFXMZJCS-QGZVFWFLSA-N 1 0 314.360 4.379 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](Cc1cccs1)C1CC1 ZINC000506618177 340197919 /nfs/dbraw/zinc/19/79/19/340197919.db2.gz SJOPDZNEGMQHRB-UTCJRWHESA-N 1 0 314.410 4.334 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000506720903 340200173 /nfs/dbraw/zinc/20/01/73/340200173.db2.gz VMFBTSHTTMPSEE-JTQLQIEISA-N 1 0 324.302 4.205 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000507169235 340210720 /nfs/dbraw/zinc/21/07/20/340210720.db2.gz UXNHKBKLFBVCBG-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc3cc[nH]c32)C2CC2)cc1 ZINC000507169932 340210944 /nfs/dbraw/zinc/21/09/44/340210944.db2.gz LAVXIMFOURGJDY-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000507174827 340211166 /nfs/dbraw/zinc/21/11/66/340211166.db2.gz SPYKLTXEXFIMCF-OAHLLOKOSA-N 1 0 302.399 4.302 20 5 DIBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000507434861 340219411 /nfs/dbraw/zinc/21/94/11/340219411.db2.gz UTRHXHDLAVZENF-GFCCVEGCSA-N 1 0 300.358 4.085 20 5 DIBDRO C[C@@H](c1cccs1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000507442263 340219763 /nfs/dbraw/zinc/21/97/63/340219763.db2.gz OBPSXGPPHFHHEV-UJZCVKTISA-N 1 0 302.399 4.363 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000510665839 340305681 /nfs/dbraw/zinc/30/56/81/340305681.db2.gz RZWISLQCUBTDCZ-IBGZPJMESA-N 1 0 308.381 4.247 20 5 DIBDRO C[C@H](c1ccc(F)cc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511080257 340320265 /nfs/dbraw/zinc/32/02/65/340320265.db2.gz IGBJIFKURFEYQL-GFCCVEGCSA-N 1 0 320.339 4.109 20 5 DIBDRO CSc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000511166218 340323154 /nfs/dbraw/zinc/32/31/54/340323154.db2.gz BHVNNQMBGLPWNG-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000512101956 340348597 /nfs/dbraw/zinc/34/85/97/340348597.db2.gz WQECZTCQOLNFDN-PCAWENJQSA-N 1 0 318.323 4.237 20 5 DIBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513073588 340392112 /nfs/dbraw/zinc/39/21/12/340392112.db2.gz CRCGPPJUBMVDLD-MEBBXXQBSA-N 1 0 320.776 4.396 20 5 DIBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513106946 340393663 /nfs/dbraw/zinc/39/36/63/340393663.db2.gz SFDPJMIIPWZCKE-IAQYHMDHSA-N 1 0 302.399 4.211 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000513786354 340424998 /nfs/dbraw/zinc/42/49/98/340424998.db2.gz DZRXERMWMHYXEM-WBVHZDCISA-N 1 0 314.429 4.084 20 5 DIBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000524114952 340647788 /nfs/dbraw/zinc/64/77/88/340647788.db2.gz VXNZAXOVYUQTCT-STQMWFEESA-N 1 0 302.374 4.379 20 5 DIBDRO Cc1c(C[NH2+]Cc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000237604667 340672632 /nfs/dbraw/zinc/67/26/32/340672632.db2.gz QGAHJUJPBUUCCN-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)c21 ZINC000237768955 340673770 /nfs/dbraw/zinc/67/37/70/340673770.db2.gz CESAHRHHNMLEBL-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000237768602 340673843 /nfs/dbraw/zinc/67/38/43/340673843.db2.gz LHMDRMSKJABIKU-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO C[C@H]([NH2+]CCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000037904138 340787926 /nfs/dbraw/zinc/78/79/26/340787926.db2.gz KWLBLGFELWRNOC-ZDUSSCGKSA-N 1 0 302.399 4.038 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000530359073 340789291 /nfs/dbraw/zinc/78/92/91/340789291.db2.gz AVSHQFXNWKMBDF-GDBMZVCRSA-N 1 0 318.417 4.046 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)o1 ZINC000538727805 340843001 /nfs/dbraw/zinc/84/30/01/340843001.db2.gz YLMCYHBCRGMHKQ-ZIAGYGMSSA-N 1 0 312.369 4.087 20 5 DIBDRO C[C@@H]([NH2+]CCc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000539076219 340871045 /nfs/dbraw/zinc/87/10/45/340871045.db2.gz MSDODIJSUYVKKT-CYBMUJFWSA-N 1 0 310.353 4.234 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000539084369 340871741 /nfs/dbraw/zinc/87/17/41/340871741.db2.gz SBGQRTFGTDLJBK-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000539084370 340871793 /nfs/dbraw/zinc/87/17/93/340871793.db2.gz SBGQRTFGTDLJBK-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000539088961 340872441 /nfs/dbraw/zinc/87/24/41/340872441.db2.gz GDPGAGWTNOELCU-CQSZACIVSA-N 1 0 302.374 4.170 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000540150325 340917443 /nfs/dbraw/zinc/91/74/43/340917443.db2.gz INNOKMQUCLUNLF-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000540192269 340922606 /nfs/dbraw/zinc/92/26/06/340922606.db2.gz CEQFNINMKPCXHR-INIZCTEOSA-N 1 0 316.788 4.415 20 5 DIBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000540557110 340935966 /nfs/dbraw/zinc/93/59/66/340935966.db2.gz CJDQROHSFWHBNO-LNRYFFFSSA-N 1 0 312.369 4.114 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000540610038 340938783 /nfs/dbraw/zinc/93/87/83/340938783.db2.gz JMGXXMLKUKZHRH-YPMHNXCESA-N 1 0 316.323 4.053 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000069783648 340982173 /nfs/dbraw/zinc/98/21/73/340982173.db2.gz MNXULLCIINDURI-UHFFFAOYSA-N 1 0 308.337 4.145 20 5 DIBDRO Cc1csc([C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000543599548 341050402 /nfs/dbraw/zinc/05/04/02/341050402.db2.gz ZMGDYPMTVUCIMP-WCQYABFASA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1cccs1)C1CC1 ZINC000543631023 341052110 /nfs/dbraw/zinc/05/21/10/341052110.db2.gz YYHWSQZJMGDIEF-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO CS[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000544384799 341079541 /nfs/dbraw/zinc/07/95/41/341079541.db2.gz CYFSMAGPCHDOEO-WFASDCNBSA-N 1 0 310.463 4.332 20 5 DIBDRO C[C@H](Cc1ccsc1)[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000545167994 341111115 /nfs/dbraw/zinc/11/11/15/341111115.db2.gz SUGMWNKROVBHRY-GFCCVEGCSA-N 1 0 304.415 4.112 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000132436447 341123121 /nfs/dbraw/zinc/12/31/21/341123121.db2.gz OUNYBAULUNUBKI-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000546165499 341155382 /nfs/dbraw/zinc/15/53/82/341155382.db2.gz HJXKMUQSPRJRNB-QWRGUYRKSA-N 1 0 304.312 4.285 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000546871459 341184381 /nfs/dbraw/zinc/18/43/81/341184381.db2.gz KFGBDYDOIBQHQB-DGCLKSJQSA-N 1 0 318.339 4.237 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000546873232 341184675 /nfs/dbraw/zinc/18/46/75/341184675.db2.gz QYKGDHJEZNCXBA-GHMZBOCLSA-N 1 0 304.312 4.285 20 5 DIBDRO Cc1ccccc1CC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000237718652 341219076 /nfs/dbraw/zinc/21/90/76/341219076.db2.gz BHHRRSALGHAHDO-UHFFFAOYSA-N 1 0 304.415 4.076 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000547726911 341228987 /nfs/dbraw/zinc/22/89/87/341228987.db2.gz YVPIEBRRHPIXBQ-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000547739549 341229639 /nfs/dbraw/zinc/22/96/39/341229639.db2.gz UKPYVWHHZXPRFI-GOSISDBHSA-N 1 0 314.360 4.017 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000547739554 341229647 /nfs/dbraw/zinc/22/96/47/341229647.db2.gz UKPYVWHHZXPRFI-SFHVURJKSA-N 1 0 314.360 4.017 20 5 DIBDRO C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174402 341288038 /nfs/dbraw/zinc/28/80/38/341288038.db2.gz ZWWXVZMXUZKZGF-LBPRGKRZSA-N 1 0 320.339 4.109 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000550895027 341326065 /nfs/dbraw/zinc/32/60/65/341326065.db2.gz JQWGZRGOFVEOBS-WBAXXEDZSA-N 1 0 310.397 4.358 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000247052211 341360439 /nfs/dbraw/zinc/36/04/39/341360439.db2.gz NONARSBPFJSWHW-YSVLISHTSA-N 1 0 320.433 4.087 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000552339811 341387759 /nfs/dbraw/zinc/38/77/59/341387759.db2.gz DPHHQRRFGHZBRN-QWHCGFSZSA-N 1 0 324.384 4.191 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000553002890 341412406 /nfs/dbraw/zinc/41/24/06/341412406.db2.gz OQMDLBWHPHFSHJ-UHFFFAOYSA-N 1 0 316.788 4.070 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000564423729 341501565 /nfs/dbraw/zinc/50/15/65/341501565.db2.gz LNVJMUOOQIREMP-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267470504 341591675 /nfs/dbraw/zinc/59/16/75/341591675.db2.gz XRWYWBDSPRLNGN-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000175985722 341855026 /nfs/dbraw/zinc/85/50/26/341855026.db2.gz FJIWHZKEZAZVNI-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000577564681 341918066 /nfs/dbraw/zinc/91/80/66/341918066.db2.gz RUIZUYUIYITGFV-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000178043132 341942264 /nfs/dbraw/zinc/94/22/64/341942264.db2.gz TVZKCJHFGXDOID-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000480708220 518188890 /nfs/dbraw/zinc/18/88/90/518188890.db2.gz IJHWDUWUXGCJFL-INIZCTEOSA-N 1 0 316.426 4.076 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccs1 ZINC000182551820 519782135 /nfs/dbraw/zinc/78/21/35/519782135.db2.gz CQKYEHQFVVFNGJ-GFCCVEGCSA-N 1 0 320.414 4.294 20 5 DIBDRO CC[C@H]([NH2+][C@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180845422 522748236 /nfs/dbraw/zinc/74/82/36/522748236.db2.gz KOVCMCMKOTWZRT-ZWKOTPCHSA-N 1 0 314.385 4.023 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000181392363 525535209 /nfs/dbraw/zinc/53/52/09/525535209.db2.gz ZQIBHAHXFQTKNS-QWRGUYRKSA-N 1 0 305.765 4.055 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000181392406 525615317 /nfs/dbraw/zinc/61/53/17/525615317.db2.gz ZQIBHAHXFQTKNS-WDEREUQCSA-N 1 0 305.765 4.055 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1[N+](=O)[O-] ZINC000266435054 525692887 /nfs/dbraw/zinc/69/28/87/525692887.db2.gz FAXQSGFLICLKBB-BZNIZROVSA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000237606717 525728303 /nfs/dbraw/zinc/72/83/03/525728303.db2.gz JIMCHJAVINDYTA-CHWSQXEVSA-N 1 0 316.323 4.114 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000181635307 525728562 /nfs/dbraw/zinc/72/85/62/525728562.db2.gz LEACPRYGWKDSMY-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000191213873 525899847 /nfs/dbraw/zinc/89/98/47/525899847.db2.gz ZKBKAUOQVVEHCQ-QWHCGFSZSA-N 1 0 316.405 4.092 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000297441173 535411251 /nfs/dbraw/zinc/41/12/51/535411251.db2.gz WDTDIIDDGLXFRG-LLVKDONJSA-N 1 0 316.348 4.080 20 5 DIBDRO CC[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000297490111 535802899 /nfs/dbraw/zinc/80/28/99/535802899.db2.gz ZXQMJRPXRQPJMK-MRXNPFEDSA-N 1 0 313.401 4.008 20 5 DIBDRO CC[C@H]([NH2+][C@@H](CCOC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000272534480 535931396 /nfs/dbraw/zinc/93/13/96/535931396.db2.gz JPMGTTKAVNMYRY-HOTGVXAUSA-N 1 0 318.373 4.006 20 5 DIBDRO C[C@@H]([NH2+]CCCF)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127013870 1035796720 /nfs/dbraw/zinc/79/67/20/1035796720.db2.gz BIQIKUNMQHCZKX-LLVKDONJSA-N 1 0 308.378 4.334 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000609705379 1036028448 /nfs/dbraw/zinc/02/84/48/1036028448.db2.gz XKYXTOONWBLSOX-CQSZACIVSA-N 1 0 316.788 4.238 20 5 DIBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CCCC1 ZINC001167178945 1036246243 /nfs/dbraw/zinc/24/62/43/1036246243.db2.gz PZDNVDLKJVUARF-SFHVURJKSA-N 1 0 320.433 4.010 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC(C)(C)O1 ZINC001167188238 1036253773 /nfs/dbraw/zinc/25/37/73/1036253773.db2.gz YPQUYVHYBUBSCB-KRWDZBQOSA-N 1 0 320.433 4.153 20 5 DIBDRO Cc1ccc(C[N@H+](Cc2ccccc2F)C(C)C)cc1[N+](=O)[O-] ZINC001167248414 1036318167 /nfs/dbraw/zinc/31/81/67/1036318167.db2.gz QEWRNSPZXJSRKC-UHFFFAOYSA-N 1 0 316.376 4.453 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000610271950 1036407580 /nfs/dbraw/zinc/40/75/80/1036407580.db2.gz LLDQZCMSTUSJJA-UHFFFAOYSA-N 1 0 302.418 4.244 20 5 DIBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255677319 1037240966 /nfs/dbraw/zinc/24/09/66/1037240966.db2.gz UWGSTIYXRNIHQY-PIZKADEWSA-N 1 0 312.369 4.007 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCSCC2)cc1[N+](=O)[O-] ZINC000187360691 1037430470 /nfs/dbraw/zinc/43/04/70/1037430470.db2.gz OKLLJGMZUXTSQP-OLZOCXBDSA-N 1 0 308.447 4.086 20 5 DIBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582169 1037643497 /nfs/dbraw/zinc/64/34/97/1037643497.db2.gz FMNRXWVGYZTTOT-IUODEOHRSA-N 1 0 317.389 4.137 20 5 DIBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000119380529 1037688153 /nfs/dbraw/zinc/68/81/53/1037688153.db2.gz FTHPQLSJCBCRJV-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000834883733 1037695426 /nfs/dbraw/zinc/69/54/26/1037695426.db2.gz GRNGABMQGQTNAU-MFKMUULPSA-N 1 0 317.216 4.138 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000834883731 1037696528 /nfs/dbraw/zinc/69/65/28/1037696528.db2.gz GRNGABMQGQTNAU-GWCFXTLKSA-N 1 0 317.216 4.138 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000610511609 1037768744 /nfs/dbraw/zinc/76/87/44/1037768744.db2.gz OQPITDYSHOWCBV-JSGCOSHPSA-N 1 0 316.323 4.053 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610517751 1037810505 /nfs/dbraw/zinc/81/05/05/1037810505.db2.gz ORYNMALVPHTWOX-CQSZACIVSA-N 1 0 313.401 4.007 20 5 DIBDRO CCCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC001167474947 1037810935 /nfs/dbraw/zinc/81/09/35/1037810935.db2.gz UYXQXLFLLMMOBK-HNNXBMFYSA-N 1 0 313.401 4.353 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 ZINC000090909938 1037966256 /nfs/dbraw/zinc/96/62/56/1037966256.db2.gz BLZSRVHJKYVGED-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000602807356 1038092869 /nfs/dbraw/zinc/09/28/69/1038092869.db2.gz YBWQMCIONAQJDI-CQSZACIVSA-N 1 0 313.401 4.074 20 5 DIBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582555 1038203485 /nfs/dbraw/zinc/20/34/85/1038203485.db2.gz XTEIMDQGGIYWLA-SWLSCSKDSA-N 1 0 317.389 4.137 20 5 DIBDRO Cc1csc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000599033555 1038217684 /nfs/dbraw/zinc/21/76/84/1038217684.db2.gz WUTUMJKYCXBMTC-CYBMUJFWSA-N 1 0 319.430 4.033 20 5 DIBDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599064326 1038227192 /nfs/dbraw/zinc/22/71/92/1038227192.db2.gz ATOBQDZNFPRNSC-SCLBCKFNSA-N 1 0 311.385 4.182 20 5 DIBDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599064328 1038228527 /nfs/dbraw/zinc/22/85/27/1038228527.db2.gz ATOBQDZNFPRNSC-UGSOOPFHSA-N 1 0 311.385 4.182 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599069721 1038232238 /nfs/dbraw/zinc/23/22/38/1038232238.db2.gz VIGOZDDYDFDIID-APWZRJJASA-N 1 0 323.396 4.108 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599082510 1038235057 /nfs/dbraw/zinc/23/50/57/1038235057.db2.gz YANRLHMKRCAKMW-ZDUSSCGKSA-N 1 0 312.360 4.243 20 5 DIBDRO C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599086153 1038237147 /nfs/dbraw/zinc/23/71/47/1038237147.db2.gz JTXSYHGBBQPLMN-NSHDSACASA-N 1 0 316.323 4.368 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000603837282 1038292761 /nfs/dbraw/zinc/29/27/61/1038292761.db2.gz RPOFETDRCCQJGQ-IBGZPJMESA-N 1 0 310.397 4.413 20 5 DIBDRO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000603851229 1038301066 /nfs/dbraw/zinc/30/10/66/1038301066.db2.gz YNBNXRFOMLSJAP-GOSISDBHSA-N 1 0 316.376 4.263 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000603855832 1038303138 /nfs/dbraw/zinc/30/31/38/1038303138.db2.gz VZDCUPMFRSURMG-GOSISDBHSA-N 1 0 310.397 4.192 20 5 DIBDRO C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000610805793 1038350974 /nfs/dbraw/zinc/35/09/74/1038350974.db2.gz SXNQQLGDVCYGEA-SJCJKPOMSA-N 1 0 314.410 4.234 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000061558060 1038408268 /nfs/dbraw/zinc/40/82/68/1038408268.db2.gz BPVFOWHMWQBKOA-QGZVFWFLSA-N 1 0 302.349 4.221 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000038092354 1038411154 /nfs/dbraw/zinc/41/11/54/1038411154.db2.gz LFUKKGGJZZZGIN-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc(C[NH2+]CCC(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000604419139 1038414066 /nfs/dbraw/zinc/41/40/66/1038414066.db2.gz RDTOYJQOOQWSIA-UHFFFAOYSA-N 1 0 312.413 4.361 20 5 DIBDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604435028 1038415790 /nfs/dbraw/zinc/41/57/90/1038415790.db2.gz MZOQRWGDEVWLFV-UHFFFAOYSA-N 1 0 314.385 4.062 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000061581015 1038416991 /nfs/dbraw/zinc/41/69/91/1038416991.db2.gz OAGCHGPCNLDAPS-UHFFFAOYSA-N 1 0 316.376 4.190 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000604484478 1038418812 /nfs/dbraw/zinc/41/88/12/1038418812.db2.gz UFBJBWNNFVYILG-HXUWFJFHSA-N 1 0 322.408 4.289 20 5 DIBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000604532642 1038424480 /nfs/dbraw/zinc/42/44/80/1038424480.db2.gz IMWCYZKDWVJKQY-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000538411154 1038468978 /nfs/dbraw/zinc/46/89/78/1038468978.db2.gz UNYKZGSLZNCQCZ-STQMWFEESA-N 1 0 316.323 4.053 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H](OC)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000381113529 1038565780 /nfs/dbraw/zinc/56/57/80/1038565780.db2.gz CPEAGHQFAGESTR-JQFCIGGWSA-N 1 0 308.422 4.087 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H](OC)[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000381113533 1038566151 /nfs/dbraw/zinc/56/61/51/1038566151.db2.gz CPEAGHQFAGESTR-XOKHGSTOSA-N 1 0 308.422 4.087 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000051626809 1038642575 /nfs/dbraw/zinc/64/25/75/1038642575.db2.gz SLAGHNRWGAEACG-MRXNPFEDSA-N 1 0 304.777 4.489 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCSc2ccccc2)cccc1[N+](=O)[O-] ZINC000479902421 1038749237 /nfs/dbraw/zinc/74/92/37/1038749237.db2.gz PAVYNEHQSQCSHG-CQSZACIVSA-N 1 0 316.426 4.346 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000075756158 1038822345 /nfs/dbraw/zinc/82/23/45/1038822345.db2.gz ROQZQDKXJUACME-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccsc1[N+](=O)[O-] ZINC000608778805 1038920171 /nfs/dbraw/zinc/92/01/71/1038920171.db2.gz CTWCEGYNJFMVDZ-UHFFFAOYSA-N 1 0 319.430 4.109 20 5 DIBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608836694 1038929323 /nfs/dbraw/zinc/92/93/23/1038929323.db2.gz FPSGVYYSQBTJQB-OLZOCXBDSA-N 1 0 302.374 4.379 20 5 DIBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608836376 1038930027 /nfs/dbraw/zinc/93/00/27/1038930027.db2.gz ATHFXJFIAOQZIE-NWDGAFQWSA-N 1 0 302.399 4.069 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000178729202 1039054224 /nfs/dbraw/zinc/05/42/24/1039054224.db2.gz GVUPWGBREWRXPY-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000178728568 1039054416 /nfs/dbraw/zinc/05/44/16/1039054416.db2.gz GDGXGAMRGFLECI-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000027537193 1039093762 /nfs/dbraw/zinc/09/37/62/1039093762.db2.gz XDNNEWWYXYPSOW-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000152770552 1039242718 /nfs/dbraw/zinc/24/27/18/1039242718.db2.gz XHYDXYGQPYIDGS-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000152791697 1039262838 /nfs/dbraw/zinc/26/28/38/1039262838.db2.gz JTIDPFYZAJDKBY-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000539519290 1039283892 /nfs/dbraw/zinc/28/38/92/1039283892.db2.gz XNAKEHSDVJYSEX-DYLGSBMWSA-N 1 0 314.385 4.120 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052454728 1039386831 /nfs/dbraw/zinc/38/68/31/1039386831.db2.gz ZAMUBAISFBCUPB-MRXNPFEDSA-N 1 0 300.333 4.071 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cc(C)ccn1 ZINC000601277848 1039393485 /nfs/dbraw/zinc/39/34/85/1039393485.db2.gz JQRLNSMXMZTZRH-INIZCTEOSA-N 1 0 313.401 4.238 20 5 DIBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000566646232 1039422061 /nfs/dbraw/zinc/42/20/61/1039422061.db2.gz FFZCKOVFEWWKNO-GQCTYLIASA-N 1 0 310.344 4.118 20 5 DIBDRO CCC(CC)[C@@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000540146553 1039423981 /nfs/dbraw/zinc/42/39/81/1039423981.db2.gz ICUXNRSHBRCWJT-SUMWQHHRSA-N 1 0 308.422 4.087 20 5 DIBDRO COCCC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000122355883 1039493615 /nfs/dbraw/zinc/49/36/15/1039493615.db2.gz YUSADDWGHYOIAS-HNNXBMFYSA-N 1 0 320.433 4.151 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000540610303 1039527708 /nfs/dbraw/zinc/52/77/08/1039527708.db2.gz PXWPZMJGYJEJMN-ONGXEEELSA-N 1 0 322.352 4.115 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000540778382 1039565046 /nfs/dbraw/zinc/56/50/46/1039565046.db2.gz AXRHEWFQFFGLTR-ZMSDIMECSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000271846084 1039846427 /nfs/dbraw/zinc/84/64/27/1039846427.db2.gz WUAXUATZIQLEKY-CHWSQXEVSA-N 1 0 312.369 4.037 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2occc2c1)c1ccccc1[N+](=O)[O-] ZINC000492221345 1039936121 /nfs/dbraw/zinc/93/61/21/1039936121.db2.gz AOYBWSVIQWRFBW-UHFFFAOYSA-N 1 0 310.353 4.366 20 5 DIBDRO CC(C)([NH2+]Cc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000492227773 1039936562 /nfs/dbraw/zinc/93/65/62/1039936562.db2.gz SGWSSEFHCQXRNR-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000492375706 1039957274 /nfs/dbraw/zinc/95/72/74/1039957274.db2.gz KEVIXHPARXFZBP-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000492624607 1039986542 /nfs/dbraw/zinc/98/65/42/1039986542.db2.gz DNZYZFJCJWJQEW-GFCCVEGCSA-N 1 0 302.399 4.084 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000782543680 1040226557 /nfs/dbraw/zinc/22/65/57/1040226557.db2.gz NADKAUVWWWRADM-GFCCVEGCSA-N 1 0 324.730 4.315 20 5 DIBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614187243 1040515158 /nfs/dbraw/zinc/51/51/58/1040515158.db2.gz QSNKNPFHHZETHG-OCCSQVGLSA-N 1 0 317.389 4.185 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411871452 1040638836 /nfs/dbraw/zinc/63/88/36/1040638836.db2.gz RQQBTARKNVOLNZ-CYBMUJFWSA-N 1 0 306.431 4.017 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC2(CCC2)CC1 ZINC000411869399 1040639174 /nfs/dbraw/zinc/63/91/74/1040639174.db2.gz MUTPCVWVSAUUJY-CYBMUJFWSA-N 1 0 306.431 4.017 20 5 DIBDRO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414223953 1041018146 /nfs/dbraw/zinc/01/81/46/1041018146.db2.gz GYTDQUXDIJAQCR-ZDUSSCGKSA-N 1 0 313.401 4.138 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414282420 1041078741 /nfs/dbraw/zinc/07/87/41/1041078741.db2.gz NTAZAYJVMUPLOD-NWDGAFQWSA-N 1 0 318.339 4.094 20 5 DIBDRO CC(C)Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000892621104 1041141434 /nfs/dbraw/zinc/14/14/34/1041141434.db2.gz HATHFHXWLLAZOE-AWEZNQCLSA-N 1 0 313.401 4.039 20 5 DIBDRO [NH3+]Cc1nn(-c2nc3ccccc3c3ccccc32)c2ccccc12 ZINC001167699790 1041163520 /nfs/dbraw/zinc/16/35/20/1041163520.db2.gz ACEFNWABTBWJCG-UHFFFAOYSA-N 1 0 324.387 4.186 20 5 DIBDRO C[C@H](C1CC1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809933903 1041275626 /nfs/dbraw/zinc/27/56/26/1041275626.db2.gz ZRBUJFUQBOMVNF-MRVPVSSYSA-N 1 0 303.189 4.132 20 5 DIBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809933904 1041274628 /nfs/dbraw/zinc/27/46/28/1041274628.db2.gz ZRBUJFUQBOMVNF-QMMMGPOBSA-N 1 0 303.189 4.132 20 5 DIBDRO CC(C)[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809935828 1041274931 /nfs/dbraw/zinc/27/49/31/1041274931.db2.gz MUPUOPWYDOUZBI-UHFFFAOYSA-N 1 0 303.189 4.274 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F ZINC000813791813 1041732729 /nfs/dbraw/zinc/73/27/29/1041732729.db2.gz FYWISHNBMOGLJI-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO CC[C@H]([NH2+]C1CCC(OC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181650720 1041797400 /nfs/dbraw/zinc/79/74/00/1041797400.db2.gz LLSHXBDKTRYWAG-VJFUWPCTSA-N 1 0 320.433 4.372 20 5 DIBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000815566055 1041964044 /nfs/dbraw/zinc/96/40/44/1041964044.db2.gz HPEOIYVHAUVBDP-QWHCGFSZSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000815580486 1041966119 /nfs/dbraw/zinc/96/61/19/1041966119.db2.gz LEFAYFIIUPJVMQ-KGLIPLIRSA-N 1 0 313.401 4.206 20 5 DIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815586077 1041968030 /nfs/dbraw/zinc/96/80/30/1041968030.db2.gz YPDNBHKOEZIYRL-IHRRRGAJSA-N 1 0 313.401 4.020 20 5 DIBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963623 1042054081 /nfs/dbraw/zinc/05/40/81/1042054081.db2.gz GOMCUETYEJLHJX-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000067011170 1042141366 /nfs/dbraw/zinc/14/13/66/1042141366.db2.gz QTRODTFXFUCIGP-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H](C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000396878341 1042148970 /nfs/dbraw/zinc/14/89/70/1042148970.db2.gz GGJRVPKSULPJII-ZWNOBZJWSA-N 1 0 304.312 4.224 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000314642511 1042163988 /nfs/dbraw/zinc/16/39/88/1042163988.db2.gz CEABAVAMWNTASR-SJKOYZFVSA-N 1 0 314.410 4.234 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000822822144 1042303018 /nfs/dbraw/zinc/30/30/18/1042303018.db2.gz FOCBZKWJEYWQGG-ZYHUDNBSSA-N 1 0 317.216 4.138 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000067248274 1042489034 /nfs/dbraw/zinc/48/90/34/1042489034.db2.gz VWCRKJODHINXKA-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000513467132 1042545040 /nfs/dbraw/zinc/54/50/40/1042545040.db2.gz QIJAWDCIMRDHRG-INIZCTEOSA-N 1 0 314.360 4.032 20 5 DIBDRO CC[C@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000183200749 1042580796 /nfs/dbraw/zinc/58/07/96/1042580796.db2.gz MGNYJZUNJSYQDF-NHYWBVRUSA-N 1 0 319.430 4.204 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000420957380 1042617702 /nfs/dbraw/zinc/61/77/02/1042617702.db2.gz ZNPIEJSLPKZBEW-GFCCVEGCSA-N 1 0 316.323 4.068 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CC(F)F)c2ccccc2)cc1 ZINC000420988522 1042618927 /nfs/dbraw/zinc/61/89/27/1042618927.db2.gz USEJKKKIQACRDB-HNNXBMFYSA-N 1 0 306.312 4.081 20 5 DIBDRO Cc1cc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc(C)n1 ZINC000421383294 1042635026 /nfs/dbraw/zinc/63/50/26/1042635026.db2.gz NVQZWMFHNRXSCH-UHFFFAOYSA-N 1 0 313.401 4.020 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)CCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000231883569 1042668008 /nfs/dbraw/zinc/66/80/08/1042668008.db2.gz VJTBTIQDDNBVRD-JTQLQIEISA-N 1 0 304.312 4.114 20 5 DIBDRO CN(Cc1ccc(C(F)F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000183920461 1042684459 /nfs/dbraw/zinc/68/44/59/1042684459.db2.gz XSSYTHJVKULOFO-UHFFFAOYSA-N 1 0 306.312 4.164 20 5 DIBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000514178340 1042772453 /nfs/dbraw/zinc/77/24/53/1042772453.db2.gz LXNHUGFEMUTWIK-SFHVURJKSA-N 1 0 310.397 4.110 20 5 DIBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000514178338 1042772554 /nfs/dbraw/zinc/77/25/54/1042772554.db2.gz LXIKFJVGEPNSJH-HXUWFJFHSA-N 1 0 324.424 4.153 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2nccc3ccccc32)cccc1[N+](=O)[O-] ZINC000515492866 1042823659 /nfs/dbraw/zinc/82/36/59/1042823659.db2.gz AJUHMLCNLDLWOP-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266428989 1042952299 /nfs/dbraw/zinc/95/22/99/1042952299.db2.gz CSGOQVVTKRWCEA-UONOGXRCSA-N 1 0 314.385 4.405 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266487786 1042971315 /nfs/dbraw/zinc/97/13/15/1042971315.db2.gz RSMLMNBYPKEJMC-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(C)C)C1CCCC1 ZINC000519908500 1043007869 /nfs/dbraw/zinc/00/78/69/1043007869.db2.gz ANTFRGZKQBFTHV-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000441326308 1043036075 /nfs/dbraw/zinc/03/60/75/1043036075.db2.gz DZPVDVJVLPOKND-INIZCTEOSA-N 1 0 318.442 4.418 20 5 DIBDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000865417074 1043092823 /nfs/dbraw/zinc/09/28/23/1043092823.db2.gz XCMMSBPASUDUFR-UHFFFAOYSA-N 1 0 314.385 4.062 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649410 1043134526 /nfs/dbraw/zinc/13/45/26/1043134526.db2.gz KEIHGVVPZULQTE-GTNSWQLSSA-N 1 0 300.333 4.072 20 5 DIBDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178651311 1043135510 /nfs/dbraw/zinc/13/55/10/1043135510.db2.gz PLAQSKLGORRNNW-ZIAGYGMSSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000179404635 1043144496 /nfs/dbraw/zinc/14/44/96/1043144496.db2.gz KFXDZZZETWMBJN-ZIAGYGMSSA-N 1 0 313.401 4.073 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1N(C)C ZINC000179404627 1043145333 /nfs/dbraw/zinc/14/53/33/1043145333.db2.gz KFXDZZZETWMBJN-UONOGXRCSA-N 1 0 313.401 4.073 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H](C)c1ncc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000183200773 1043157327 /nfs/dbraw/zinc/15/73/27/1043157327.db2.gz MGNYJZUNJSYQDF-XHDPSFHLSA-N 1 0 319.430 4.204 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183957484 1043174224 /nfs/dbraw/zinc/17/42/24/1043174224.db2.gz PBJXTYRIZYZBIT-CHWSQXEVSA-N 1 0 319.430 4.156 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000441487925 1043177575 /nfs/dbraw/zinc/17/75/75/1043177575.db2.gz PRQWEVQEDCUNML-VKJFTORMSA-N 1 0 318.417 4.017 20 5 DIBDRO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000866452194 1043204467 /nfs/dbraw/zinc/20/44/67/1043204467.db2.gz YKWYKTLIEPXBCM-KTAKPFMOSA-N 1 0 320.433 4.372 20 5 DIBDRO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000866452193 1043205157 /nfs/dbraw/zinc/20/51/57/1043205157.db2.gz YKWYKTLIEPXBCM-BZOOQXSSSA-N 1 0 320.433 4.372 20 5 DIBDRO Cc1csc([C@@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000186560085 1043230185 /nfs/dbraw/zinc/23/01/85/1043230185.db2.gz QQCIIFNHFXKORO-WCQYABFASA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000866607849 1043233260 /nfs/dbraw/zinc/23/32/60/1043233260.db2.gz VQRJKFJMVMXYCY-CYZMBNFOSA-N 1 0 314.307 4.143 20 5 DIBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000186764474 1043233932 /nfs/dbraw/zinc/23/39/32/1043233932.db2.gz CVMYGWTZZQNUPG-AAEUAGOBSA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000266887416 1043252215 /nfs/dbraw/zinc/25/22/15/1043252215.db2.gz QIARANFNISSMLJ-TUAOUCFPSA-N 1 0 316.323 4.367 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000192352584 1043270537 /nfs/dbraw/zinc/27/05/37/1043270537.db2.gz ULVWWKCBSAWBAI-SJCJKPOMSA-N 1 0 312.369 4.029 20 5 DIBDRO CCCNc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000193363500 1043284549 /nfs/dbraw/zinc/28/45/49/1043284549.db2.gz PGDATJJVUHSBMP-AWEZNQCLSA-N 1 0 313.401 4.268 20 5 DIBDRO CCCNc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000193363515 1043284930 /nfs/dbraw/zinc/28/49/30/1043284930.db2.gz PGDATJJVUHSBMP-CQSZACIVSA-N 1 0 313.401 4.268 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000248461382 1043326347 /nfs/dbraw/zinc/32/63/47/1043326347.db2.gz PBJXTYRIZYZBIT-STQMWFEESA-N 1 0 319.430 4.156 20 5 DIBDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521309669 1043382779 /nfs/dbraw/zinc/38/27/79/1043382779.db2.gz QLDBLJZSALZQAQ-WBVHZDCISA-N 1 0 315.417 4.033 20 5 DIBDRO CC(C)[N@H+](Cc1ccc(CF)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000777560063 1043414554 /nfs/dbraw/zinc/41/45/54/1043414554.db2.gz OCWQORKNHZHVCS-UHFFFAOYSA-N 1 0 316.376 4.475 20 5 DIBDRO CSCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872039931 1043430947 /nfs/dbraw/zinc/43/09/47/1043430947.db2.gz WNEJEGJUUSPUAP-LLVKDONJSA-N 1 0 314.476 4.111 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000872058435 1043442333 /nfs/dbraw/zinc/44/23/33/1043442333.db2.gz UNOJYXNMXUZVCW-ZJUUUORDSA-N 1 0 316.373 4.155 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000872086147 1043454596 /nfs/dbraw/zinc/45/45/96/1043454596.db2.gz SPAMUIFRGXKCHN-RNCFNFMXSA-N 1 0 316.373 4.013 20 5 DIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000873183455 1043523414 /nfs/dbraw/zinc/52/34/14/1043523414.db2.gz OSKXULNYBDQOKK-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(F)(F)C1 ZINC000873198221 1043527320 /nfs/dbraw/zinc/52/73/20/1043527320.db2.gz ZCKLWPYNHPXMFQ-UHFFFAOYSA-N 1 0 322.311 4.132 20 5 DIBDRO CC1=C(c2ccco2)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000558733563 1043583086 /nfs/dbraw/zinc/58/30/86/1043583086.db2.gz HQSCIAOPDZXMLC-AWEZNQCLSA-N 1 0 312.369 4.428 20 5 DIBDRO Cc1cccc2c1OCC[C@@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353234882 1043592638 /nfs/dbraw/zinc/59/26/38/1043592638.db2.gz ZGYZRUUUAZVCOY-AFCDSYGPSA-N 1 0 324.380 4.030 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000522268095 1043594429 /nfs/dbraw/zinc/59/44/29/1043594429.db2.gz IWUNLRYNBILVON-GOSISDBHSA-N 1 0 314.360 4.114 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000353628336 1043628119 /nfs/dbraw/zinc/62/81/19/1043628119.db2.gz WWJCPVWBBNOWLR-QGZVFWFLSA-N 1 0 324.384 4.102 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000353970133 1043666390 /nfs/dbraw/zinc/66/63/90/1043666390.db2.gz BXBFGGQYZCGTRF-YVEFUNNKSA-N 1 0 324.384 4.273 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCSC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000927040095 1043672039 /nfs/dbraw/zinc/67/20/39/1043672039.db2.gz WUJODSIXRIUKHZ-KGLIPLIRSA-N 1 0 320.458 4.372 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CF)cc2)cc1[N+](=O)[O-] ZINC000777725189 1043784523 /nfs/dbraw/zinc/78/45/23/1043784523.db2.gz HGQOKCXEHJITJV-CYBMUJFWSA-N 1 0 302.349 4.224 20 5 DIBDRO Cc1nc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000358208506 1044035596 /nfs/dbraw/zinc/03/55/96/1044035596.db2.gz VICFTWDNNJGNNE-GFCCVEGCSA-N 1 0 319.430 4.033 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(Cc1cccs1)C1CC1 ZINC000522536295 1044039242 /nfs/dbraw/zinc/03/92/42/1044039242.db2.gz HQEMEEGIRHAVCU-UHFFFAOYSA-N 1 0 322.817 4.474 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)CC(F)F)cccc1[N+](=O)[O-] ZINC000883258905 1044249940 /nfs/dbraw/zinc/24/99/40/1044249940.db2.gz UCGKJGSOVPYEEW-LLVKDONJSA-N 1 0 300.349 4.235 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2c(cc(Cl)cc2Cl)s1 ZINC001227581477 1044298284 /nfs/dbraw/zinc/29/82/84/1044298284.db2.gz VSOMPEQEULAYNM-QMMMGPOBSA-N 1 0 320.265 4.077 20 5 DIBDRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186219457 1044306487 /nfs/dbraw/zinc/30/64/87/1044306487.db2.gz CEQXCXQGCDOGRO-VXGBXAGGSA-N 1 0 320.414 4.385 20 5 DIBDRO CCC[C@@H]([NH2+]CC1(CC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000323786841 1044442055 /nfs/dbraw/zinc/44/20/55/1044442055.db2.gz CBVCIGKPBRIFRZ-QGZVFWFLSA-N 1 0 320.433 4.232 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000475560028 1044500450 /nfs/dbraw/zinc/50/04/50/1044500450.db2.gz RBXPEQWVPPUNPD-DOTOQJQBSA-N 1 0 314.360 4.160 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1c(Br)ccc2ccccc21 ZINC001227835183 1044508963 /nfs/dbraw/zinc/50/89/63/1044508963.db2.gz JIZXWGXGRJXJDU-GFCCVEGCSA-N 1 0 323.254 4.076 20 5 DIBDRO CC(C)SCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000566992161 1044532017 /nfs/dbraw/zinc/53/20/17/1044532017.db2.gz JSNMEMYWAORYPB-GOEBONIOSA-N 1 0 322.474 4.037 20 5 DIBDRO CSc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000567974346 1044594460 /nfs/dbraw/zinc/59/44/60/1044594460.db2.gz PYVZUTZQMLMKNQ-UHFFFAOYSA-N 1 0 322.455 4.053 20 5 DIBDRO CC(C)(C)C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886107320 1044615723 /nfs/dbraw/zinc/61/57/23/1044615723.db2.gz PAJOCPJRYDFHOR-MRXNPFEDSA-N 1 0 313.401 4.257 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000077467925 1044699301 /nfs/dbraw/zinc/69/93/01/1044699301.db2.gz AKDYIFBSGUCWGT-UHFFFAOYSA-N 1 0 302.761 4.027 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000089553225 1044741875 /nfs/dbraw/zinc/74/18/75/1044741875.db2.gz NYZKCMXDYBMNNI-ZIAGYGMSSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918707 1044750915 /nfs/dbraw/zinc/75/09/15/1044750915.db2.gz UCNZQNUALHVSSX-DYVFJYSZSA-N 1 0 316.405 4.174 20 5 DIBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000525636364 1045102257 /nfs/dbraw/zinc/10/22/57/1045102257.db2.gz SYLBAZCQRMSIFZ-UZLBHIALSA-N 1 0 324.424 4.263 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CC[C@@H](F)C2)c2ccccc2)c1 ZINC000577239114 1045109384 /nfs/dbraw/zinc/10/93/84/1045109384.db2.gz LXXHDARKXRNGQC-SOLBZPMBSA-N 1 0 314.360 4.164 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000467859041 1045135294 /nfs/dbraw/zinc/13/52/94/1045135294.db2.gz OFXOWISLWIBCLN-QWHCGFSZSA-N 1 0 304.415 4.186 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000447535771 1045141785 /nfs/dbraw/zinc/14/17/85/1045141785.db2.gz IHCOKJILVQTWPU-SFHVURJKSA-N 1 0 314.360 4.210 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447609981 1045160487 /nfs/dbraw/zinc/16/04/87/1045160487.db2.gz ZVIRAIHMXPMEPC-FZMZJTMJSA-N 1 0 316.323 4.293 20 5 DIBDRO CC[NH+](CC)C[C@H](C)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001228153084 1045168906 /nfs/dbraw/zinc/16/89/06/1045168906.db2.gz AVHIWUUNCDWEKJ-VIFPVBQESA-N 1 0 321.204 4.011 20 5 DIBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000601299312 1045214275 /nfs/dbraw/zinc/21/42/75/1045214275.db2.gz YWJDJCPDQJRQBZ-QWRGUYRKSA-N 1 0 305.403 4.080 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(Cl)s1 ZINC000449093817 1045348797 /nfs/dbraw/zinc/34/87/97/1045348797.db2.gz YSTDLBQQZRISTK-NSHDSACASA-N 1 0 324.833 4.073 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449284815 1045370677 /nfs/dbraw/zinc/37/06/77/1045370677.db2.gz OXAYWDDWQQFNDF-RYUDHWBXSA-N 1 0 318.339 4.237 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCCC1(F)F ZINC000449380539 1045387402 /nfs/dbraw/zinc/38/74/02/1045387402.db2.gz WIFRPGMNSULHLP-BRLPQQTGSA-N 1 0 310.344 4.023 20 5 DIBDRO O=[N+]([O-])c1ccc(CNc2cccc3ccncc32)cc1Cl ZINC000783653598 1045388164 /nfs/dbraw/zinc/38/81/64/1045388164.db2.gz CWCRQVQJGWWBSX-UHFFFAOYSA-N 1 0 313.744 4.409 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000450676668 1045550227 /nfs/dbraw/zinc/55/02/27/1045550227.db2.gz QHCZFFTZNYTBSZ-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000190844625 1045619640 /nfs/dbraw/zinc/61/96/40/1045619640.db2.gz SUYCCDYIVUEAGH-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000800493132 1045632219 /nfs/dbraw/zinc/63/22/19/1045632219.db2.gz TWWHHQSSLAUXOA-OAHLLOKOSA-N 1 0 319.792 4.193 20 5 DIBDRO C[N@@H+](Cc1c2ccccc2cc2ccccc21)CC1CC(O)C1 ZINC000191166047 1045661309 /nfs/dbraw/zinc/66/13/09/1045661309.db2.gz IMJKGGHAAGSNME-UHFFFAOYSA-N 1 0 305.421 4.196 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)cc1 ZINC000451543413 1045694927 /nfs/dbraw/zinc/69/49/27/1045694927.db2.gz BJOXQISTYIVXFQ-UKRRQHHQSA-N 1 0 324.371 4.210 20 5 DIBDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801522333 1045730059 /nfs/dbraw/zinc/73/00/59/1045730059.db2.gz RKGDXCIETWGPOF-CYBMUJFWSA-N 1 0 314.360 4.460 20 5 DIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801522048 1045730882 /nfs/dbraw/zinc/73/08/82/1045730882.db2.gz XZRDHSVIBFGBQR-BBRMVZONSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801522334 1045731196 /nfs/dbraw/zinc/73/11/96/1045731196.db2.gz RKGDXCIETWGPOF-ZDUSSCGKSA-N 1 0 314.360 4.460 20 5 DIBDRO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801551187 1045736819 /nfs/dbraw/zinc/73/68/19/1045736819.db2.gz IXYIWILZMAHOGC-GXDHUFHOSA-N 1 0 314.360 4.269 20 5 DIBDRO CSCCCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000753735573 1045797313 /nfs/dbraw/zinc/79/73/13/1045797313.db2.gz RUTZJGFRUYSTKF-CQSZACIVSA-N 1 0 310.463 4.477 20 5 DIBDRO CSCC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753967686 1045827519 /nfs/dbraw/zinc/82/75/19/1045827519.db2.gz GMWQAKKQDZNEJS-DZKIICNBSA-N 1 0 322.474 4.037 20 5 DIBDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000520173280 1045861410 /nfs/dbraw/zinc/86/14/10/1045861410.db2.gz BBMLXFDFJZLYAM-UHFFFAOYSA-N 1 0 302.349 4.146 20 5 DIBDRO Cc1c(C[N@@H+](Cc2ccccc2F)C(C)C)cccc1[N+](=O)[O-] ZINC000520173101 1045861961 /nfs/dbraw/zinc/86/19/61/1045861961.db2.gz LAUMUBTZASYUHB-UHFFFAOYSA-N 1 0 316.376 4.453 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CC=CCC3)o2)c1 ZINC000520217372 1045893800 /nfs/dbraw/zinc/89/38/00/1045893800.db2.gz XFOPTEVVIOPDQA-CQSZACIVSA-N 1 0 312.369 4.301 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000531703518 1045898922 /nfs/dbraw/zinc/89/89/22/1045898922.db2.gz IPIYHHSVOXZWSR-QWHCGFSZSA-N 1 0 302.349 4.188 20 5 DIBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2sccc21 ZINC000453138552 1045955260 /nfs/dbraw/zinc/95/52/60/1045955260.db2.gz AOQHHXCCZFQMCN-NHYWBVRUSA-N 1 0 302.399 4.385 20 5 DIBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000453156758 1045961354 /nfs/dbraw/zinc/96/13/54/1045961354.db2.gz WRYSNPHVHNCQFO-GOSISDBHSA-N 1 0 313.401 4.053 20 5 DIBDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453225198 1045992653 /nfs/dbraw/zinc/99/26/53/1045992653.db2.gz NSVULWATRGVKNS-GJZGRUSLSA-N 1 0 313.401 4.052 20 5 DIBDRO CC(F)(F)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453229238 1045994338 /nfs/dbraw/zinc/99/43/38/1045994338.db2.gz GMQJDIGOFFONPN-CQSZACIVSA-N 1 0 312.360 4.342 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000532212492 1046114828 /nfs/dbraw/zinc/11/48/28/1046114828.db2.gz PLYGLOKFDWWPBF-STQMWFEESA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000532224212 1046119647 /nfs/dbraw/zinc/11/96/47/1046119647.db2.gz VGCWKLVBPRMBBS-DOMZBBRYSA-N 1 0 314.410 4.401 20 5 DIBDRO CCc1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000084200114 1046141155 /nfs/dbraw/zinc/14/11/55/1046141155.db2.gz ODIFVAVCZCHKBV-UHFFFAOYSA-N 1 0 304.777 4.100 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000756900237 1046149576 /nfs/dbraw/zinc/14/95/76/1046149576.db2.gz LAWIQFSQHGQVRW-UHFFFAOYSA-N 1 0 315.760 4.019 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000037668485 1046163162 /nfs/dbraw/zinc/16/31/62/1046163162.db2.gz YHDPILSIDHZRAR-UHFFFAOYSA-N 1 0 311.168 4.191 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000903247213 1046206282 /nfs/dbraw/zinc/20/62/82/1046206282.db2.gz ZZKRWNAMYIWAAL-TZMCWYRMSA-N 1 0 313.401 4.061 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccnc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000903246373 1046207836 /nfs/dbraw/zinc/20/78/36/1046207836.db2.gz UDRSUIOTVWELLE-NWDGAFQWSA-N 1 0 319.792 4.098 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)CCC2 ZINC000903334974 1046245656 /nfs/dbraw/zinc/24/56/56/1046245656.db2.gz JHYPCFIQMRVGRF-PKOBYXMFSA-N 1 0 323.396 4.108 20 5 DIBDRO C[C@@H](CO)CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000758587067 1046279163 /nfs/dbraw/zinc/27/91/63/1046279163.db2.gz NBZMUBPNKYQOSE-MRXNPFEDSA-N 1 0 307.437 4.491 20 5 DIBDRO CN1CC[C@@H]([NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000729681853 1046576361 /nfs/dbraw/zinc/57/63/61/1046576361.db2.gz LFJPJOVNMVWTAH-CQSZACIVSA-N 1 0 324.855 4.440 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3ccccc3)CC2)cc1Cl ZINC000783596933 1046613923 /nfs/dbraw/zinc/61/39/23/1046613923.db2.gz ZENOZUAIVYGHFV-UHFFFAOYSA-N 1 0 316.788 4.070 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000783639585 1046616739 /nfs/dbraw/zinc/61/67/39/1046616739.db2.gz SYTDCTQORAQKAQ-LLVKDONJSA-N 1 0 322.792 4.261 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783739993 1046629968 /nfs/dbraw/zinc/62/99/68/1046629968.db2.gz FZJNAJACEZVIJM-NSHDSACASA-N 1 0 324.730 4.315 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000834814200 1046673674 /nfs/dbraw/zinc/67/36/74/1046673674.db2.gz GLBMZVFKJIMGFE-WDEREUQCSA-N 1 0 305.765 4.055 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C23CCC(CC2)C3)o1 ZINC000784640739 1046704931 /nfs/dbraw/zinc/70/49/31/1046704931.db2.gz PNWJGGCPCYZRDV-UHFFFAOYSA-N 1 0 312.369 4.277 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCOc1ccccc1 ZINC000302768278 1046801959 /nfs/dbraw/zinc/80/19/59/1046801959.db2.gz XCMJLYNRPNKISA-OAHLLOKOSA-N 1 0 314.385 4.057 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000303170835 1046884712 /nfs/dbraw/zinc/88/47/12/1046884712.db2.gz BKEFSJSMSFQELN-QGZVFWFLSA-N 1 0 318.417 4.147 20 5 DIBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000237389520 1046887691 /nfs/dbraw/zinc/88/76/91/1046887691.db2.gz NJMRQURJAJGOHI-JKSUJKDBSA-N 1 0 307.437 4.490 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000303738873 1046953243 /nfs/dbraw/zinc/95/32/43/1046953243.db2.gz HRAJESARHQLOHM-RDJZCZTQSA-N 1 0 310.397 4.281 20 5 DIBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000303908583 1047001747 /nfs/dbraw/zinc/00/17/47/1047001747.db2.gz UEWDDLYKYYUZBE-ZDUSSCGKSA-N 1 0 318.804 4.311 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccccc1 ZINC000536873075 1047116615 /nfs/dbraw/zinc/11/66/15/1047116615.db2.gz WBEYGLCQINPVJG-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1cc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000537222570 1047155862 /nfs/dbraw/zinc/15/58/62/1047155862.db2.gz ATOSWPXEGATJJU-INIZCTEOSA-N 1 0 320.389 4.345 20 5 DIBDRO Cc1ccccc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000536854503 1047243695 /nfs/dbraw/zinc/24/36/95/1047243695.db2.gz UKVHZGZSHDUTTE-IBGZPJMESA-N 1 0 324.424 4.057 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001141722725 1047276778 /nfs/dbraw/zinc/27/67/78/1047276778.db2.gz GMPWQCXRVGPHCX-MOPGFXCFSA-N 1 0 317.432 4.461 20 5 DIBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141723430 1047277870 /nfs/dbraw/zinc/27/78/70/1047277870.db2.gz XPRGRQJUAZWTTM-QAPCUYQASA-N 1 0 305.421 4.196 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCCC12COC2 ZINC001141727682 1047278060 /nfs/dbraw/zinc/27/80/60/1047278060.db2.gz BUTZMHOKSAREDR-UHFFFAOYSA-N 1 0 303.405 4.358 20 5 DIBDRO O[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1F ZINC001141723047 1047278943 /nfs/dbraw/zinc/27/89/43/1047278943.db2.gz NMISYZGZPPGVOL-NHCUHLMSSA-N 1 0 323.411 4.288 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001141728107 1047280471 /nfs/dbraw/zinc/28/04/71/1047280471.db2.gz LRYCPBGTQUYUDL-LAUBAEHRSA-N 1 0 303.405 4.214 20 5 DIBDRO CN1CC[C@H]([N@H+](C)Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727932 1047280650 /nfs/dbraw/zinc/28/06/50/1047280650.db2.gz ILEJIAZCVRSRMP-SFHVURJKSA-N 1 0 304.437 4.129 20 5 DIBDRO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000841062870 1047377731 /nfs/dbraw/zinc/37/77/31/1047377731.db2.gz CZBBNIPFKAAUCK-YCRPNKLZSA-N 1 0 304.437 4.081 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC001168309649 1047408198 /nfs/dbraw/zinc/40/81/98/1047408198.db2.gz NPZMLFAZVPUXST-AWEZNQCLSA-N 1 0 324.371 4.385 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCCCC1(F)F)C1CC1 ZINC001168309651 1047409216 /nfs/dbraw/zinc/40/92/16/1047409216.db2.gz NPZMLFAZVPUXST-CQSZACIVSA-N 1 0 324.371 4.385 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000152606075 1047449495 /nfs/dbraw/zinc/44/94/95/1047449495.db2.gz ZBAYUWJCJWLSSS-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000537623774 1047477082 /nfs/dbraw/zinc/47/70/82/1047477082.db2.gz PKEAUJBUIJICFG-UHFFFAOYSA-N 1 0 300.358 4.229 20 5 DIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192706435 1047599118 /nfs/dbraw/zinc/59/91/18/1047599118.db2.gz FXRFSIPQLGBWQV-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000537980250 1047650104 /nfs/dbraw/zinc/65/01/04/1047650104.db2.gz ORUUZGXBNHEBGD-XIKOKIGWSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1C(C)C ZINC000538019458 1047654811 /nfs/dbraw/zinc/65/48/11/1047654811.db2.gz RXBMBJAKNPPOIO-DAYGRLMNSA-N 1 0 320.433 4.005 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000927036511 1047766908 /nfs/dbraw/zinc/76/69/08/1047766908.db2.gz ILGAJBYTKOGEKD-OCCSQVGLSA-N 1 0 306.431 4.064 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(F)(F)CC1 ZINC000552925046 1047806294 /nfs/dbraw/zinc/80/62/94/1047806294.db2.gz UNCYQENJQUWNPT-GFCCVEGCSA-N 1 0 312.360 4.083 20 5 DIBDRO O=[N+]([O-])c1ccc(Nc2ccccc2C[NH+]2CCCCC2)cc1 ZINC001174478695 1047850721 /nfs/dbraw/zinc/85/07/21/1047850721.db2.gz WIWYLNBQIHXZKK-UHFFFAOYSA-N 1 0 311.385 4.324 20 5 DIBDRO C[NH+]1CCC(c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001174478401 1047851562 /nfs/dbraw/zinc/85/15/62/1047851562.db2.gz XMFNEQBGMVOYBN-UHFFFAOYSA-N 1 0 311.385 4.148 20 5 DIBDRO Nc1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c(F)c1 ZINC001174482252 1047853613 /nfs/dbraw/zinc/85/36/13/1047853613.db2.gz UKYPJVUMNIQRIT-UHFFFAOYSA-N 1 0 318.355 4.435 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC(C2CCC2)C2CCC2)c(F)c1 ZINC001183046367 1047879156 /nfs/dbraw/zinc/87/91/56/1047879156.db2.gz WUVXRXIIUSUIGY-UHFFFAOYSA-N 1 0 306.381 4.040 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccccc3)CC2)c(Cl)c1 ZINC000479395078 1047880038 /nfs/dbraw/zinc/88/00/38/1047880038.db2.gz SNCNUFYICQHDFZ-UHFFFAOYSA-N 1 0 316.788 4.113 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1CCC(F)CC1 ZINC001183083300 1047880835 /nfs/dbraw/zinc/88/08/35/1047880835.db2.gz DJAZSHPCMSVEQA-LXTOLFJKSA-N 1 0 322.424 4.422 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC001183083297 1047881258 /nfs/dbraw/zinc/88/12/58/1047881258.db2.gz DJAZSHPCMSVEQA-FSOQPWQOSA-N 1 0 322.424 4.422 20 5 DIBDRO C[C@H](COCC1CCCCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001198000662 1047911813 /nfs/dbraw/zinc/91/18/13/1047911813.db2.gz IQYOZCKCQXWWPD-CABCVRRESA-N 1 0 320.433 4.231 20 5 DIBDRO C[C@H](COCC1CCCCC1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001198000664 1047912000 /nfs/dbraw/zinc/91/20/00/1047912000.db2.gz IQYOZCKCQXWWPD-HUUCEWRRSA-N 1 0 320.433 4.231 20 5 DIBDRO CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000553856538 1047953124 /nfs/dbraw/zinc/95/31/24/1047953124.db2.gz CWYFYHGILDZFID-UHFFFAOYSA-N 1 0 320.776 4.398 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001183780220 1047964438 /nfs/dbraw/zinc/96/44/38/1047964438.db2.gz UXJOFIVWUGHWIF-NWDGAFQWSA-N 1 0 320.339 4.327 20 5 DIBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccccc2C2=CC[NH2+]CC2)cc1 ZINC001160022082 1047971446 /nfs/dbraw/zinc/97/14/46/1047971446.db2.gz WLCRPQCOJRFMNP-SDNWHVSQSA-N 1 0 321.380 4.054 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001199059704 1048031819 /nfs/dbraw/zinc/03/18/19/1048031819.db2.gz FRGVTCLRTFHINC-UKTHLTGXSA-N 1 0 316.788 4.441 20 5 DIBDRO CCC[NH+](CCC)CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC001184491788 1048041873 /nfs/dbraw/zinc/04/18/73/1048041873.db2.gz WINZUIVWZOYTNT-UHFFFAOYSA-N 1 0 313.829 4.172 20 5 DIBDRO Cc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC001184873328 1048099577 /nfs/dbraw/zinc/09/95/77/1048099577.db2.gz BHXHROJHXGCZJG-LBPRGKRZSA-N 1 0 311.451 4.031 20 5 DIBDRO CC(C)CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000776025064 1048102240 /nfs/dbraw/zinc/10/22/40/1048102240.db2.gz NJEOAAWGZJRQJN-DLBZAZTESA-N 1 0 322.449 4.069 20 5 DIBDRO CC(C)CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000776025167 1048102294 /nfs/dbraw/zinc/10/22/94/1048102294.db2.gz NJEOAAWGZJRQJN-SJORKVTESA-N 1 0 322.449 4.069 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(C)c1 ZINC001199972475 1048128396 /nfs/dbraw/zinc/12/83/96/1048128396.db2.gz SZYHXKAERFJDNB-FOWTUZBSSA-N 1 0 310.397 4.139 20 5 DIBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCCCC1 ZINC000776100300 1048145521 /nfs/dbraw/zinc/14/55/21/1048145521.db2.gz OGQWHGDZHMUAAG-UHFFFAOYSA-N 1 0 316.405 4.016 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(F)(F)F ZINC000554720964 1048166278 /nfs/dbraw/zinc/16/62/78/1048166278.db2.gz JOXWUSXMNJZZLQ-LLVKDONJSA-N 1 0 318.339 4.094 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000480661459 1048205073 /nfs/dbraw/zinc/20/50/73/1048205073.db2.gz RMHXFIDIKQJJMI-VIFPVBQESA-N 1 0 324.730 4.459 20 5 DIBDRO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001175240171 1048213260 /nfs/dbraw/zinc/21/32/60/1048213260.db2.gz XFLJXQASMMYPQG-KRWDZBQOSA-N 1 0 320.339 4.288 20 5 DIBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC001162074197 1048222908 /nfs/dbraw/zinc/22/29/08/1048222908.db2.gz UWYFTJFFBYELHW-KRWDZBQOSA-N 1 0 323.412 4.046 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCSCC(C)C ZINC001201482627 1048298713 /nfs/dbraw/zinc/29/87/13/1048298713.db2.gz YCYARPBKHLYEFR-UHFFFAOYSA-N 1 0 310.463 4.081 20 5 DIBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001175643048 1048387061 /nfs/dbraw/zinc/38/70/61/1048387061.db2.gz JOVNPKXSVKMSLD-GOSISDBHSA-N 1 0 302.418 4.182 20 5 DIBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001175643049 1048389796 /nfs/dbraw/zinc/38/97/96/1048389796.db2.gz JOVNPKXSVKMSLD-SFHVURJKSA-N 1 0 302.418 4.182 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001175613228 1048396554 /nfs/dbraw/zinc/39/65/54/1048396554.db2.gz WZWDQFVZHCHXQU-QGZVFWFLSA-N 1 0 302.418 4.305 20 5 DIBDRO Cc1ccsc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000481421722 1048400075 /nfs/dbraw/zinc/40/00/75/1048400075.db2.gz QVYVYMKNDRUTDE-OAHLLOKOSA-N 1 0 316.426 4.076 20 5 DIBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001175737186 1048429797 /nfs/dbraw/zinc/42/97/97/1048429797.db2.gz WEJXGXSIFMAQHM-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO Cc1c(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481718821 1048464323 /nfs/dbraw/zinc/46/43/23/1048464323.db2.gz BAMXARALXBNZCC-WCQYABFASA-N 1 0 316.323 4.066 20 5 DIBDRO CC(C)Cc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC001202226714 1048488522 /nfs/dbraw/zinc/48/85/22/1048488522.db2.gz GZFVKVOVVWJRLC-UHFFFAOYSA-N 1 0 312.413 4.126 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)c1 ZINC000481815702 1048495228 /nfs/dbraw/zinc/49/52/28/1048495228.db2.gz NYDUFLAZKPHYFT-LSDHHAIUSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000481832166 1048498872 /nfs/dbraw/zinc/49/88/72/1048498872.db2.gz NUGULJJOQWRHDJ-GJZGRUSLSA-N 1 0 314.360 4.160 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000066236804 1048556188 /nfs/dbraw/zinc/55/61/88/1048556188.db2.gz BPVFOWHMWQBKOA-KRWDZBQOSA-N 1 0 302.349 4.221 20 5 DIBDRO Cc1ccccc1OCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000482559537 1048634079 /nfs/dbraw/zinc/63/40/79/1048634079.db2.gz XZDSNOXNURDMBN-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000482648174 1048653632 /nfs/dbraw/zinc/65/36/32/1048653632.db2.gz DEYXRJGXONJOAO-CQSZACIVSA-N 1 0 323.396 4.360 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c(F)c1 ZINC001190399012 1048726646 /nfs/dbraw/zinc/72/66/46/1048726646.db2.gz GKPKMHCXSMBFLR-QGZVFWFLSA-N 1 0 324.371 4.418 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483098202 1048731979 /nfs/dbraw/zinc/73/19/79/1048731979.db2.gz OOTRJUQKTIODPC-XJKSGUPXSA-N 1 0 314.360 4.284 20 5 DIBDRO Cc1cc(C)nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC001190527150 1048749556 /nfs/dbraw/zinc/74/95/56/1048749556.db2.gz DSKBJQZVPDYSEU-UHFFFAOYSA-N 1 0 313.401 4.017 20 5 DIBDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001176654850 1048764605 /nfs/dbraw/zinc/76/46/05/1048764605.db2.gz BVIGLQMZVVUNQU-KRWDZBQOSA-N 1 0 310.397 4.363 20 5 DIBDRO CSc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000852095528 1048823880 /nfs/dbraw/zinc/82/38/80/1048823880.db2.gz AKPFYPUOYFQLHT-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483660622 1048832669 /nfs/dbraw/zinc/83/26/69/1048832669.db2.gz MOMLUUZURAMZHK-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1F ZINC000852448677 1048842884 /nfs/dbraw/zinc/84/28/84/1048842884.db2.gz MRTYESDYCYJLFU-KRWDZBQOSA-N 1 0 320.339 4.360 20 5 DIBDRO Cc1cc(C)c(/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001177416096 1048887437 /nfs/dbraw/zinc/88/74/37/1048887437.db2.gz HZDKIOGRWNSCOE-SNAWJCMRSA-N 1 0 310.397 4.323 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC001177576327 1048917662 /nfs/dbraw/zinc/91/76/62/1048917662.db2.gz VVOLBHMFJOHONE-OHZIQAAMSA-N 1 0 302.418 4.414 20 5 DIBDRO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001203559234 1048929274 /nfs/dbraw/zinc/92/92/74/1048929274.db2.gz FWZZLGJKIJRCMF-RXNFCKPNSA-N 1 0 318.323 4.237 20 5 DIBDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001203565675 1048931491 /nfs/dbraw/zinc/93/14/91/1048931491.db2.gz HQDSEDDLAWFEKQ-UHFFFAOYSA-N 1 0 314.385 4.062 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(CC3CCC3)c2)cc1 ZINC001177737563 1048939498 /nfs/dbraw/zinc/93/94/98/1048939498.db2.gz RHFQQDVVRMRMCO-UHFFFAOYSA-N 1 0 324.424 4.270 20 5 DIBDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000484465548 1048942254 /nfs/dbraw/zinc/94/22/54/1048942254.db2.gz HWXPGLNWEFAHRB-DUVNUKRYSA-N 1 0 308.447 4.310 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)c1ccccc1[N+](=O)[O-] ZINC001203863876 1049018460 /nfs/dbraw/zinc/01/84/60/1049018460.db2.gz HHFBHVRKCBFPBT-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc2ncccc2c1)c1ccccc1[N+](=O)[O-] ZINC001203863877 1049019489 /nfs/dbraw/zinc/01/94/89/1049019489.db2.gz HHFBHVRKCBFPBT-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001192201824 1049051610 /nfs/dbraw/zinc/05/16/10/1049051610.db2.gz XOPPAPSDKBRNMD-OAHLLOKOSA-N 1 0 306.406 4.018 20 5 DIBDRO CC[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001192224979 1049063875 /nfs/dbraw/zinc/06/38/75/1049063875.db2.gz VCVDBHSXEXZCOC-CQSZACIVSA-N 1 0 316.323 4.236 20 5 DIBDRO CC(C)([NH3+])c1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000904470643 1049074996 /nfs/dbraw/zinc/07/49/96/1049074996.db2.gz OBRSGCSXOJKPLP-UHFFFAOYSA-N 1 0 319.792 4.054 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000776881998 1049090875 /nfs/dbraw/zinc/09/08/75/1049090875.db2.gz DEONWNKLBTWYRH-DZKIICNBSA-N 1 0 302.418 4.084 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000925490406 1049097596 /nfs/dbraw/zinc/09/75/96/1049097596.db2.gz BEUIIWCROBXNQP-NWDGAFQWSA-N 1 0 318.348 4.160 20 5 DIBDRO CCCc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000856789638 1049105933 /nfs/dbraw/zinc/10/59/33/1049105933.db2.gz MKIPWVSIFYIMPO-LBPRGKRZSA-N 1 0 304.415 4.460 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC001179044713 1049122659 /nfs/dbraw/zinc/12/26/59/1049122659.db2.gz OPAIMYGMTBRRFG-FUHWJXTLSA-N 1 0 320.433 4.156 20 5 DIBDRO C[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC001204261287 1049122812 /nfs/dbraw/zinc/12/28/12/1049122812.db2.gz AFZPSGPMEZIFIP-HNNXBMFYSA-N 1 0 310.397 4.363 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C2CC2)cc1 ZINC001204262012 1049123696 /nfs/dbraw/zinc/12/36/96/1049123696.db2.gz UPPJOWBEAQNENB-FXAWDEMLSA-N 1 0 322.408 4.363 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857083109 1049127558 /nfs/dbraw/zinc/12/75/58/1049127558.db2.gz TVHNETMYGVYACF-QWRGUYRKSA-N 1 0 317.216 4.138 20 5 DIBDRO CC[C@@H](C)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001179105667 1049131587 /nfs/dbraw/zinc/13/15/87/1049131587.db2.gz KXHCLPWMBQGOCI-GFCCVEGCSA-N 1 0 319.430 4.244 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC001179386592 1049161942 /nfs/dbraw/zinc/16/19/42/1049161942.db2.gz PGHWWHAILRTXLS-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173368918 1049189458 /nfs/dbraw/zinc/18/94/58/1049189458.db2.gz JXAREXWFQKJUJC-DYVFJYSZSA-N 1 0 312.369 4.159 20 5 DIBDRO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001193372884 1049204076 /nfs/dbraw/zinc/20/40/76/1049204076.db2.gz FSMNBSJTYNKCHE-RVDMUPIBSA-N 1 0 310.397 4.439 20 5 DIBDRO Clc1c2ccccc2c(CN2CC[NH2+]CC2)c2ccccc12 ZINC001204630726 1049206359 /nfs/dbraw/zinc/20/63/59/1049206359.db2.gz SIBCDXVFIAWVPF-UHFFFAOYSA-N 1 0 310.828 4.052 20 5 DIBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001193448507 1049207978 /nfs/dbraw/zinc/20/79/78/1049207978.db2.gz PWWHFEUNUJTUSP-LSDHHAIUSA-N 1 0 306.406 4.004 20 5 DIBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001193459981 1049211430 /nfs/dbraw/zinc/21/14/30/1049211430.db2.gz JFFNSZZYBIAMLA-CRAIPNDOSA-N 1 0 320.433 4.264 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000858320797 1049242219 /nfs/dbraw/zinc/24/22/19/1049242219.db2.gz JBNHICBRPVTJRP-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(CC)CC ZINC001193661448 1049244779 /nfs/dbraw/zinc/24/47/79/1049244779.db2.gz HPUSQBBXEGNARA-RRQGHBQHSA-N 1 0 320.433 4.229 20 5 DIBDRO CC(C)CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001180165287 1049302288 /nfs/dbraw/zinc/30/22/88/1049302288.db2.gz GSXAKECVAANZIG-UHFFFAOYSA-N 1 0 304.312 4.092 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000485718202 1049323520 /nfs/dbraw/zinc/32/35/20/1049323520.db2.gz RFVXHAQRIUISNJ-AWEZNQCLSA-N 1 0 318.398 4.002 20 5 DIBDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001204975850 1049328439 /nfs/dbraw/zinc/32/84/39/1049328439.db2.gz MMDNJRPMVPJAJC-KUHUBIRLSA-N 1 0 310.397 4.051 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001180317318 1049329282 /nfs/dbraw/zinc/32/92/82/1049329282.db2.gz DKBMLSWRFTXCLT-DHSIGJKJSA-N 1 0 302.418 4.222 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000485736738 1049331058 /nfs/dbraw/zinc/33/10/58/1049331058.db2.gz IVIHAWHHBDDIPD-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173402802 1049331475 /nfs/dbraw/zinc/33/14/75/1049331475.db2.gz BYGQMKQZPZLOHI-ZJUUUORDSA-N 1 0 324.302 4.424 20 5 DIBDRO CCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485812626 1049346727 /nfs/dbraw/zinc/34/67/27/1049346727.db2.gz HXHFZXORMSNNMD-UHFFFAOYSA-N 1 0 314.385 4.016 20 5 DIBDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001194259888 1049349811 /nfs/dbraw/zinc/34/98/11/1049349811.db2.gz ABYKPCJWYUGDFK-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCc2ccccc2CC1 ZINC001194392726 1049368128 /nfs/dbraw/zinc/36/81/28/1049368128.db2.gz BYMYHUPFDWYQNK-OAHLLOKOSA-N 1 0 310.397 4.147 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3CC4(CCC4)C3)C2)cc1 ZINC001194478405 1049380921 /nfs/dbraw/zinc/38/09/21/1049380921.db2.gz VAUVVYASCJFBJL-QGZVFWFLSA-N 1 0 314.429 4.355 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCCC3)CC2)c(Cl)c1 ZINC001194599469 1049396749 /nfs/dbraw/zinc/39/67/49/1049396749.db2.gz NEMNMTJMOKTZKZ-UHFFFAOYSA-N 1 0 308.809 4.404 20 5 DIBDRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001180850418 1049411405 /nfs/dbraw/zinc/41/14/05/1049411405.db2.gz YMEOZEMRQUSNPL-GDBMZVCRSA-N 1 0 304.434 4.332 20 5 DIBDRO CC(C)([NH2+]CCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC001194684944 1049412773 /nfs/dbraw/zinc/41/27/73/1049412773.db2.gz YYUHPEHRCKHAQQ-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C2CCC2)CCC1 ZINC001195002636 1049460706 /nfs/dbraw/zinc/46/07/06/1049460706.db2.gz KZQJEOGXADTTRK-UHFFFAOYSA-N 1 0 318.417 4.194 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001205402627 1049462097 /nfs/dbraw/zinc/46/20/97/1049462097.db2.gz JJUJKXKNUDBKGM-ROUUACIJSA-N 1 0 310.397 4.329 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001205402626 1049462364 /nfs/dbraw/zinc/46/23/64/1049462364.db2.gz JJUJKXKNUDBKGM-QZTJIDSGSA-N 1 0 310.397 4.329 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC001205435016 1049469697 /nfs/dbraw/zinc/46/96/97/1049469697.db2.gz UDIUACJBBHXFNB-XBNGYDHASA-N 1 0 302.418 4.366 20 5 DIBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001195257757 1049501536 /nfs/dbraw/zinc/50/15/36/1049501536.db2.gz JBUCTPXUZPHHJD-QGZVFWFLSA-N 1 0 310.397 4.363 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2CC2CCCC2)cc1 ZINC001195639594 1049549760 /nfs/dbraw/zinc/54/97/60/1049549760.db2.gz WEAITRJDJCONNT-SFHVURJKSA-N 1 0 302.418 4.182 20 5 DIBDRO Cc1cccc2[nH]c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc21 ZINC001205755878 1049554701 /nfs/dbraw/zinc/55/47/01/1049554701.db2.gz PEISLHMNAFPGEN-UHFFFAOYSA-N 1 0 323.396 4.059 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001205875417 1049590006 /nfs/dbraw/zinc/59/00/06/1049590006.db2.gz JSOFFRDVTQLDSE-LZZACLKFSA-N 1 0 312.413 4.119 20 5 DIBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001195955117 1049598993 /nfs/dbraw/zinc/59/89/93/1049598993.db2.gz NCZOANJHKBTQTB-MEDUHNTESA-N 1 0 316.788 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c(Cl)c1 ZINC001182356886 1049635005 /nfs/dbraw/zinc/63/50/05/1049635005.db2.gz QDVICCZTAAITRX-IUODEOHRSA-N 1 0 308.809 4.164 20 5 DIBDRO COc1ccc(C[N@@H+]2CC(C)(C)CCC2(C)C)cc1[N+](=O)[O-] ZINC001196276844 1049636519 /nfs/dbraw/zinc/63/65/19/1049636519.db2.gz WVVJOTHZNMLSCF-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO CC(C)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001196321736 1049640221 /nfs/dbraw/zinc/64/02/21/1049640221.db2.gz CBVPJIYRSQNNDQ-UHFFFAOYSA-N 1 0 316.323 4.282 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000488445732 1049656617 /nfs/dbraw/zinc/65/66/17/1049656617.db2.gz RZEMVJYIMAOUKD-DUVNUKRYSA-N 1 0 322.474 4.474 20 5 DIBDRO COc1ccc(C[N@@H+]2CC[C@]2(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001197241083 1049732009 /nfs/dbraw/zinc/73/20/09/1049732009.db2.gz YNZFPQYLUABSGZ-GOSISDBHSA-N 1 0 318.417 4.148 20 5 DIBDRO C[C@@H]1c2sccc2CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001197431968 1049752633 /nfs/dbraw/zinc/75/26/33/1049752633.db2.gz MDSBLZHIYJRAKG-SNVBAGLBSA-N 1 0 322.817 4.429 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000150880426 1049776396 /nfs/dbraw/zinc/77/63/96/1049776396.db2.gz UHWWIGVFTLELPW-QGZVFWFLSA-N 1 0 320.339 4.360 20 5 DIBDRO O=[N+]([O-])c1ccc(CN(Cc2cc(F)ccc2F)C2CC2)cc1 ZINC000490803274 1049866160 /nfs/dbraw/zinc/86/61/60/1049866160.db2.gz QRMATVWZUIIIJY-UHFFFAOYSA-N 1 0 318.323 4.038 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000760651297 1049907034 /nfs/dbraw/zinc/90/70/34/1049907034.db2.gz LYQDMUGCDOMBPM-SECBINFHSA-N 1 0 310.703 4.069 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000588232548 1049976792 /nfs/dbraw/zinc/97/67/92/1049976792.db2.gz MQKOYLYTOZJZKC-NOLJZWGESA-N 1 0 324.371 4.083 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(C4CC4)C3)s2)cc1 ZINC000589736686 1050057837 /nfs/dbraw/zinc/05/78/37/1050057837.db2.gz APWGOINWQWMTMP-UHFFFAOYSA-N 1 0 314.410 4.165 20 5 DIBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000591553718 1050176602 /nfs/dbraw/zinc/17/66/02/1050176602.db2.gz HQHZJMYFEPDNTH-LLVKDONJSA-N 1 0 306.312 4.066 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734488142 1050277558 /nfs/dbraw/zinc/27/75/58/1050277558.db2.gz ZLMOEVGNEKBXGO-UKRRQHHQSA-N 1 0 314.360 4.112 20 5 DIBDRO Cc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CCC2)cc1 ZINC000592186774 1050290496 /nfs/dbraw/zinc/29/04/96/1050290496.db2.gz FYRMWWTUGXASMU-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000592392493 1050293141 /nfs/dbraw/zinc/29/31/41/1050293141.db2.gz XZLPLVFZTGQSNZ-HZMBPMFUSA-N 1 0 312.360 4.198 20 5 DIBDRO C[NH2+]CC1CN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001210561930 1050294923 /nfs/dbraw/zinc/29/49/23/1050294923.db2.gz YIJNEJZGJYKMCY-UHFFFAOYSA-N 1 0 314.432 4.235 20 5 DIBDRO Cc1cccc(F)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000766215189 1050463756 /nfs/dbraw/zinc/46/37/56/1050463756.db2.gz FUHNQVHJUUTYRK-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583952 1050496209 /nfs/dbraw/zinc/49/62/09/1050496209.db2.gz RTHQUQPEAJGYLN-ROUUACIJSA-N 1 0 308.381 4.168 20 5 DIBDRO CSc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000574563699 1050498094 /nfs/dbraw/zinc/49/80/94/1050498094.db2.gz OGTDIRYPSRVPSI-UHFFFAOYSA-N 1 0 322.455 4.053 20 5 DIBDRO COc1c(C)cccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594512620 1050525425 /nfs/dbraw/zinc/52/54/25/1050525425.db2.gz XNGLDRUPNXIRPZ-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc(C)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000594508480 1050526225 /nfs/dbraw/zinc/52/62/25/1050526225.db2.gz CFUXLXAJXYBYQV-QGZVFWFLSA-N 1 0 314.385 4.153 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000594516146 1050526709 /nfs/dbraw/zinc/52/67/09/1050526709.db2.gz UFLQIEBKCLKKEE-KBXCAEBGSA-N 1 0 313.401 4.052 20 5 DIBDRO Cc1ccc([C@@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000738435798 1050533561 /nfs/dbraw/zinc/53/35/61/1050533561.db2.gz MCBOZEAVDJPRNK-ZDUSSCGKSA-N 1 0 318.804 4.450 20 5 DIBDRO Cc1cc(C[NH2+]Cc2c3ccccc3cc3ccccc32)[nH]n1 ZINC000738430700 1050534368 /nfs/dbraw/zinc/53/43/68/1050534368.db2.gz INZARVXQULLPES-UHFFFAOYSA-N 1 0 301.393 4.314 20 5 DIBDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000594927144 1050566037 /nfs/dbraw/zinc/56/60/37/1050566037.db2.gz YHMMNEUPORHROT-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000595019341 1050585291 /nfs/dbraw/zinc/58/52/91/1050585291.db2.gz VSDJYIXXPJGKCC-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000595016258 1050585843 /nfs/dbraw/zinc/58/58/43/1050585843.db2.gz JGZGRPDHKSVXHU-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO CSCC1(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000595064576 1050597377 /nfs/dbraw/zinc/59/73/77/1050597377.db2.gz CDSLIMHHWVJJQE-ZDUSSCGKSA-N 1 0 308.447 4.087 20 5 DIBDRO CSCC1(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595075016 1050606824 /nfs/dbraw/zinc/60/68/24/1050606824.db2.gz WNKOPVXPHCQQPS-INIZCTEOSA-N 1 0 320.458 4.095 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ccccc31)CCC2 ZINC000595076300 1050607473 /nfs/dbraw/zinc/60/74/73/1050607473.db2.gz HXJPFVYXYCHWTB-RBUKOAKNSA-N 1 0 308.381 4.249 20 5 DIBDRO COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000595108073 1050608329 /nfs/dbraw/zinc/60/83/29/1050608329.db2.gz YHYCWILKYUNHOH-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595096583 1050613555 /nfs/dbraw/zinc/61/35/55/1050613555.db2.gz CBVGGORWWAKRTC-ZOODHJKOSA-N 1 0 310.344 4.213 20 5 DIBDRO COc1ccc([C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000595413755 1050631375 /nfs/dbraw/zinc/63/13/75/1050631375.db2.gz HEOQGLOOFGOKNI-KBPBESRZSA-N 1 0 314.385 4.058 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595424257 1050632970 /nfs/dbraw/zinc/63/29/70/1050632970.db2.gz PYEHGTUPEAYJEB-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO CSc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000595420503 1050633743 /nfs/dbraw/zinc/63/37/43/1050633743.db2.gz GRTDETPLGKNEJY-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO C[C@]1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000846031438 1050651068 /nfs/dbraw/zinc/65/10/68/1050651068.db2.gz CAJXDKAZEKBJNA-QWHCGFSZSA-N 1 0 321.179 4.043 20 5 DIBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(F)Cl ZINC000846035248 1050654085 /nfs/dbraw/zinc/65/40/85/1050654085.db2.gz TZIMNXZQSFLHCO-OLZOCXBDSA-N 1 0 321.179 4.043 20 5 DIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788479508 1050688154 /nfs/dbraw/zinc/68/81/54/1050688154.db2.gz UXFNOGHJJUDOGL-KRWDZBQOSA-N 1 0 314.360 4.379 20 5 DIBDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788582062 1050707542 /nfs/dbraw/zinc/70/75/42/1050707542.db2.gz GFYGSVKFMLWKEB-AXAPSJFSSA-N 1 0 320.458 4.191 20 5 DIBDRO CSCC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788582116 1050707868 /nfs/dbraw/zinc/70/78/68/1050707868.db2.gz HZBPPFNNWLBVFI-XHDPSFHLSA-N 1 0 308.447 4.048 20 5 DIBDRO CSCC[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788582114 1050708109 /nfs/dbraw/zinc/70/81/09/1050708109.db2.gz HZBPPFNNWLBVFI-NHYWBVRUSA-N 1 0 308.447 4.048 20 5 DIBDRO C[C@@H](Cc1ccco1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788574900 1050708124 /nfs/dbraw/zinc/70/81/24/1050708124.db2.gz CYONAYXWHHWTQL-SJCJKPOMSA-N 1 0 314.385 4.131 20 5 DIBDRO CSCC[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788582105 1050709713 /nfs/dbraw/zinc/70/97/13/1050709713.db2.gz HZBPPFNNWLBVFI-ABAIWWIYSA-N 1 0 308.447 4.048 20 5 DIBDRO Cc1ccc(Nc2c[nH+]ccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC001213665574 1050712289 /nfs/dbraw/zinc/71/22/89/1050712289.db2.gz AARGZTDUUABCGI-UHFFFAOYSA-N 1 0 312.373 4.032 20 5 DIBDRO COc1ccc2c(NCc3cccc([N+](=O)[O-])c3C)cc[nH+]c2c1 ZINC000790788031 1050995137 /nfs/dbraw/zinc/99/51/37/1050995137.db2.gz YGXBPDIWBKNMMB-UHFFFAOYSA-N 1 0 323.352 4.072 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CC2CCCC2)cc1[N+](=O)[O-] ZINC001171632301 1051174095 /nfs/dbraw/zinc/17/40/95/1051174095.db2.gz XIFLZPWIXDLPCZ-KRWDZBQOSA-N 1 0 302.418 4.448 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC001170313011 1051183287 /nfs/dbraw/zinc/18/32/87/1051183287.db2.gz IJJAJMPKIWZETN-CYBMUJFWSA-N 1 0 320.433 4.093 20 5 DIBDRO CCC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)CC ZINC001170326658 1051184970 /nfs/dbraw/zinc/18/49/70/1051184970.db2.gz BHRNESOJOBRUHJ-UONOGXRCSA-N 1 0 308.422 4.045 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170324668 1051186401 /nfs/dbraw/zinc/18/64/01/1051186401.db2.gz SANKHCSSIOOGSW-CXAGYDPISA-N 1 0 320.433 4.093 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3cccs3)C2)cc1 ZINC001170411493 1051203321 /nfs/dbraw/zinc/20/33/21/1051203321.db2.gz NCOHJRXSKQXVFO-HNNXBMFYSA-N 1 0 316.426 4.078 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3cccs3)C2)cc1 ZINC001170411494 1051203647 /nfs/dbraw/zinc/20/36/47/1051203647.db2.gz NCOHJRXSKQXVFO-OAHLLOKOSA-N 1 0 316.426 4.078 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC001168775175 1051237813 /nfs/dbraw/zinc/23/78/13/1051237813.db2.gz NJJOFJQXZIBGEG-MRXNPFEDSA-N 1 0 314.385 4.234 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC001168813312 1051445138 /nfs/dbraw/zinc/44/51/38/1051445138.db2.gz PYZRFDREDCXHOS-CYBMUJFWSA-N 1 0 316.376 4.190 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CCC2)c2ccc(F)cc2)C1 ZINC001168998030 1051485426 /nfs/dbraw/zinc/48/54/26/1051485426.db2.gz HJEDHNQYPAZQGM-ZTFGCOKTSA-N 1 0 320.408 4.092 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+](C2CCCCC2)C2CCCCC2)C1 ZINC001169007654 1051487322 /nfs/dbraw/zinc/48/73/22/1051487322.db2.gz OXIOANXJAGETIR-YJBOKZPZSA-N 1 0 308.466 4.399 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC001169011043 1051487597 /nfs/dbraw/zinc/48/75/97/1051487597.db2.gz HNTIEZDEBKFBHL-HKUYNNGSSA-N 1 0 316.445 4.267 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001168988369 1051491598 /nfs/dbraw/zinc/49/15/98/1051491598.db2.gz RHJBAVQIVYUDDS-VWYCJHECSA-N 1 0 317.216 4.089 20 5 DIBDRO CC1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172898013 1051549973 /nfs/dbraw/zinc/54/99/73/1051549973.db2.gz HMRGVVYAOWTPMY-QWFMPGPPSA-N 1 0 302.418 4.011 20 5 DIBDRO C=Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172899617 1051551153 /nfs/dbraw/zinc/55/11/53/1051551153.db2.gz BBJJRJSYEMOIBG-LJQANCHMSA-N 1 0 322.408 4.275 20 5 DIBDRO C[C@@]1(F)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902820 1051551364 /nfs/dbraw/zinc/55/13/64/1051551364.db2.gz CUEAOHCGKNLEBY-FUHWJXTLSA-N 1 0 320.408 4.056 20 5 DIBDRO CCCC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172903030 1051551567 /nfs/dbraw/zinc/55/15/67/1051551567.db2.gz DETZGSIXKXNQJL-INIZCTEOSA-N 1 0 302.418 4.155 20 5 DIBDRO C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901350 1051551900 /nfs/dbraw/zinc/55/19/00/1051551900.db2.gz HMRGVVYAOWTPMY-XKQJLSEDSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901352 1051551974 /nfs/dbraw/zinc/55/19/74/1051551974.db2.gz HMRGVVYAOWTPMY-XOKHGSTOSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@]1(F)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907472 1051552687 /nfs/dbraw/zinc/55/26/87/1051552687.db2.gz FHECJJHGUNJEKK-WMZOPIPTSA-N 1 0 320.408 4.056 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(CC3CC3)CC1)CC2 ZINC001172905355 1051552908 /nfs/dbraw/zinc/55/29/08/1051552908.db2.gz JDGFIFGQOVCDSP-KRWDZBQOSA-N 1 0 314.429 4.012 20 5 DIBDRO C[C@@]1(F)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907470 1051553369 /nfs/dbraw/zinc/55/33/69/1051553369.db2.gz FHECJJHGUNJEKK-FUHWJXTLSA-N 1 0 320.408 4.056 20 5 DIBDRO Cc1csc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172895205 1051568513 /nfs/dbraw/zinc/56/85/13/1051568513.db2.gz AUIHWWZZSVBVTP-OAHLLOKOSA-N 1 0 316.426 4.002 20 5 DIBDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172896140 1051568598 /nfs/dbraw/zinc/56/85/98/1051568598.db2.gz MERSKHBHQWMCAO-COXVUDFISA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172896142 1051568777 /nfs/dbraw/zinc/56/87/77/1051568777.db2.gz MERSKHBHQWMCAO-KBRIMQKVSA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(C1)CCCCC3)CC2 ZINC001172920932 1051571984 /nfs/dbraw/zinc/57/19/84/1051571984.db2.gz MLNPBAAFWSRWFN-QGZVFWFLSA-N 1 0 314.429 4.108 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]1c1ccccc1)CC2 ZINC001172922203 1051572030 /nfs/dbraw/zinc/57/20/30/1051572030.db2.gz XGGGUZOUUVWIGS-QUCCMNQESA-N 1 0 322.408 4.289 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1C3CCCC1CCC3)CC2 ZINC001172921682 1051572552 /nfs/dbraw/zinc/57/25/52/1051572552.db2.gz QUBFETSAHDYHKC-ABHNRTSZSA-N 1 0 314.429 4.249 20 5 DIBDRO CC1(C)CCC[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912052 1051581172 /nfs/dbraw/zinc/58/11/72/1051581172.db2.gz LNPFQTQQGCWCJF-DOTOQJQBSA-N 1 0 302.418 4.011 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000761506927 1051583689 /nfs/dbraw/zinc/58/36/89/1051583689.db2.gz PWSYYTCMOYETSF-MRXNPFEDSA-N 1 0 316.788 4.368 20 5 DIBDRO Cc1ccc(Cl)cc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215779 1051633418 /nfs/dbraw/zinc/63/34/18/1051633418.db2.gz ZPYHACGBUGMVBD-CYBMUJFWSA-N 1 0 318.804 4.277 20 5 DIBDRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001170479335 1051634137 /nfs/dbraw/zinc/63/41/37/1051634137.db2.gz IMNSEJXCOMKBCA-INIZCTEOSA-N 1 0 312.360 4.274 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001173216631 1051634690 /nfs/dbraw/zinc/63/46/90/1051634690.db2.gz DQQOVQZNRXLZHR-ACJLOTCBSA-N 1 0 316.376 4.406 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001173217828 1051635543 /nfs/dbraw/zinc/63/55/43/1051635543.db2.gz MQFFYCUPIZZDAA-CYBMUJFWSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cccc(F)c1F ZINC001173222894 1051636499 /nfs/dbraw/zinc/63/64/99/1051636499.db2.gz FVXLDKDVDUPSDQ-VXGBXAGGSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001173220645 1051636717 /nfs/dbraw/zinc/63/67/17/1051636717.db2.gz DQUPOAWBEMLJCE-DOMZBBRYSA-N 1 0 324.371 4.083 20 5 DIBDRO Cc1ccc(Cl)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173222744 1051636747 /nfs/dbraw/zinc/63/67/47/1051636747.db2.gz YXHOHYLTUYTZBN-ZDUSSCGKSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC001173220350 1051637029 /nfs/dbraw/zinc/63/70/29/1051637029.db2.gz YRTFTMSXYJIGGE-RYUDHWBXSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001173223943 1051637136 /nfs/dbraw/zinc/63/71/36/1051637136.db2.gz BXDVNRITODJNJD-GJZGRUSLSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001173221443 1051637368 /nfs/dbraw/zinc/63/73/68/1051637368.db2.gz ILVPWFGONIEELP-CYBMUJFWSA-N 1 0 324.371 4.037 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001173219669 1051637464 /nfs/dbraw/zinc/63/74/64/1051637464.db2.gz PDFXYFNMYDYPBT-CVEARBPZSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(Cl)s1 ZINC001173230100 1051638144 /nfs/dbraw/zinc/63/81/44/1051638144.db2.gz QMPANIBKCQIMTC-NSHDSACASA-N 1 0 324.833 4.073 20 5 DIBDRO Cc1cccc(C2([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173230175 1051638198 /nfs/dbraw/zinc/63/81/98/1051638198.db2.gz RLCAZVCETLCAOI-HNNXBMFYSA-N 1 0 310.397 4.113 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCc1ccccc1 ZINC001173227090 1051638698 /nfs/dbraw/zinc/63/86/98/1051638698.db2.gz NXJAHUJUYUZARR-MRXNPFEDSA-N 1 0 312.413 4.090 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC001173231436 1051639237 /nfs/dbraw/zinc/63/92/37/1051639237.db2.gz ZHZASXNADOUSBP-LLVKDONJSA-N 1 0 318.339 4.094 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001173234018 1051641157 /nfs/dbraw/zinc/64/11/57/1051641157.db2.gz OANFVBDVLBAIAD-UWWQBHOKSA-N 1 0 302.418 4.180 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001173231946 1051641506 /nfs/dbraw/zinc/64/15/06/1051641506.db2.gz PCGMTYPGZPFEOR-DJIMGWMZSA-N 1 0 302.418 4.038 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(F)c1Cl ZINC001173233880 1051641557 /nfs/dbraw/zinc/64/15/57/1051641557.db2.gz KNNMDRMKQVLYRY-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001173213798 1051649404 /nfs/dbraw/zinc/64/94/04/1051649404.db2.gz KOELHTQHPOHPGT-ACJLOTCBSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001173212630 1051649522 /nfs/dbraw/zinc/64/95/22/1051649522.db2.gz BSFBUOHURUCBIX-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001173212339 1051650285 /nfs/dbraw/zinc/65/02/85/1051650285.db2.gz ZRCSXQJUCPSYEX-GFCCVEGCSA-N 1 0 320.339 4.253 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(Cl)cc1 ZINC001173214815 1051651598 /nfs/dbraw/zinc/65/15/98/1051651598.db2.gz QMQDAZSPAPOKRB-ZDUSSCGKSA-N 1 0 318.804 4.012 20 5 DIBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCC1CCCCCC1 ZINC001169667259 1051669201 /nfs/dbraw/zinc/66/92/01/1051669201.db2.gz UKGWENWKSGTZLH-UHFFFAOYSA-N 1 0 304.434 4.430 20 5 DIBDRO [NH3+]Cc1ccn(-c2cnc3c4ccccc4c4ccccc4c3n2)c1 ZINC001169716174 1051681289 /nfs/dbraw/zinc/68/12/89/1051681289.db2.gz FXLOYMPMSOKSOW-UHFFFAOYSA-N 1 0 324.387 4.186 20 5 DIBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001216483841 1051785295 /nfs/dbraw/zinc/78/52/95/1051785295.db2.gz OZDNJSAFFXAUCA-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000609204285 1051892769 /nfs/dbraw/zinc/89/27/69/1051892769.db2.gz DARBXSGNSWGNMO-QWHCGFSZSA-N 1 0 306.406 4.002 20 5 DIBDRO COc1ncccc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001174042508 1051962456 /nfs/dbraw/zinc/96/24/56/1051962456.db2.gz OZWFCUFYGQGXFX-UHFFFAOYSA-N 1 0 316.364 4.117 20 5 DIBDRO Cc1n[nH]c(C)c1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001174216482 1052054681 /nfs/dbraw/zinc/05/46/81/1052054681.db2.gz IEKNVHSWJSJDTF-UHFFFAOYSA-N 1 0 303.369 4.054 20 5 DIBDRO C[C@H]1C[C@@H](OCc2c3ccccc3nc3ccccc32)CC[NH2+]1 ZINC001217787506 1052141299 /nfs/dbraw/zinc/14/12/99/1052141299.db2.gz BBLWUXFPABFIAF-GJZGRUSLSA-N 1 0 306.409 4.045 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001217812225 1052147224 /nfs/dbraw/zinc/14/72/24/1052147224.db2.gz FHSLIEBFURMXPP-LZJOCLMNSA-N 1 0 303.405 4.260 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000494847982 1052150385 /nfs/dbraw/zinc/15/03/85/1052150385.db2.gz QTAQGPCNTNAOKK-LLVKDONJSA-N 1 0 304.312 4.114 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1C[C@H]2C[NH2+]C[C@H]21 ZINC001217880714 1052162600 /nfs/dbraw/zinc/16/26/00/1052162600.db2.gz ISXWSJIDCBYFTE-LDQXTDLNSA-N 1 0 303.405 4.118 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2CCCC[NH2+]C2)c2ccccc12 ZINC001217970651 1052178385 /nfs/dbraw/zinc/17/83/85/1052178385.db2.gz OSTZGBQEGIWJAC-AWEZNQCLSA-N 1 0 307.393 4.220 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001217989534 1052181360 /nfs/dbraw/zinc/18/13/60/1052181360.db2.gz MQRNCLBJGRTQBM-AUUYWEPGSA-N 1 0 321.420 4.466 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001217991878 1052182580 /nfs/dbraw/zinc/18/25/80/1052182580.db2.gz YLSYOWUBTINQOV-YOEHRIQHSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H](Oc1cccc2ccc3cccnc3c21)C1CC[NH2+]CC1 ZINC001218002802 1052183921 /nfs/dbraw/zinc/18/39/21/1052183921.db2.gz KWQCWWWWFZSKJW-CQSZACIVSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218028322 1052186376 /nfs/dbraw/zinc/18/63/76/1052186376.db2.gz FGYLGVINYAPMFI-IFXJQAMLSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218028324 1052186836 /nfs/dbraw/zinc/18/68/36/1052186836.db2.gz FGYLGVINYAPMFI-LIRRHRJNSA-N 1 0 306.409 4.155 20 5 DIBDRO c1ccc2c(c1)nc(O[C@H]1CCC13CC[NH2+]CC3)c1ccccc21 ZINC001218078557 1052194087 /nfs/dbraw/zinc/19/40/87/1052194087.db2.gz CMBAZBDQRCGLFU-IBGZPJMESA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@@H]3CCC[C@@]34CC[NH2+]C4)cc2c1 ZINC001218094725 1052196159 /nfs/dbraw/zinc/19/61/59/1052196159.db2.gz NLEKXJMRQXZORG-CTNGQTDRSA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218097250 1052196188 /nfs/dbraw/zinc/19/61/88/1052196188.db2.gz SFJSDLXASMDADW-PZJWPPBQSA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218097248 1052196425 /nfs/dbraw/zinc/19/64/25/1052196425.db2.gz SFJSDLXASMDADW-CTNGQTDRSA-N 1 0 318.420 4.299 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c2ccccc12 ZINC001218251268 1052212867 /nfs/dbraw/zinc/21/28/67/1052212867.db2.gz RYCXHXNOVPJRTH-PJIJBLCYSA-N 1 0 319.404 4.218 20 5 DIBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218311424 1052223032 /nfs/dbraw/zinc/22/30/32/1052223032.db2.gz KMTBJTOADDCFPW-KRWDZBQOSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1CC[C@H](Oc2c3ccccc3c(O)c3ccccc32)C[NH2+]1 ZINC001218406803 1052235595 /nfs/dbraw/zinc/23/55/95/1052235595.db2.gz NRDPFZMPEQUEDK-KGLIPLIRSA-N 1 0 307.393 4.218 20 5 DIBDRO CC1(C)C[C@H](Oc2cccc3ccc4cccnc4c32)CC[NH2+]1 ZINC001218471219 1052243332 /nfs/dbraw/zinc/24/33/32/1052243332.db2.gz IHAUQTZFHJWBJT-MRXNPFEDSA-N 1 0 306.409 4.297 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000193900003 1052511045 /nfs/dbraw/zinc/51/10/45/1052511045.db2.gz NPMPSEOWKVJQRW-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000193900948 1052511256 /nfs/dbraw/zinc/51/12/56/1052511256.db2.gz ZHSOPGIUEYCQEK-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO CC(C)[N@@H+]1CC[C@H](OCc2c3ccccc3nc3ccccc32)C1 ZINC001223336743 1052590425 /nfs/dbraw/zinc/59/04/25/1052590425.db2.gz RZVMYILFBZTYSY-INIZCTEOSA-N 1 0 320.436 4.387 20 5 DIBDRO Cc1c(O[C@@H](CC[NH+](C)C)c2cccs2)cccc1[N+](=O)[O-] ZINC001225690193 1052817361 /nfs/dbraw/zinc/81/73/61/1052817361.db2.gz SWSOHMITDBSXLN-HNNXBMFYSA-N 1 0 320.414 4.037 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000498483279 1052840798 /nfs/dbraw/zinc/84/07/98/1052840798.db2.gz CVZMCGQLXQCSRK-VXGBXAGGSA-N 1 0 318.348 4.154 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195321406 1052935725 /nfs/dbraw/zinc/93/57/25/1052935725.db2.gz TUZROPHNQUYCFO-CQSZACIVSA-N 1 0 318.417 4.079 20 5 DIBDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705208 1052988323 /nfs/dbraw/zinc/98/83/23/1052988323.db2.gz FUKSYQXVVJOFKV-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000609705183 1052988764 /nfs/dbraw/zinc/98/87/64/1052988764.db2.gz ATBKIIHRMHWHRW-MRXNPFEDSA-N 1 0 316.788 4.368 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000609895473 1052998619 /nfs/dbraw/zinc/99/86/19/1052998619.db2.gz XVGZFXMVYCXZCK-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC3CC3)o2)cc1 ZINC000609902139 1052999240 /nfs/dbraw/zinc/99/92/40/1052999240.db2.gz JIUKHQXPAVWLCB-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO CC[NH+](CC)C[C@H](C)Oc1cccc2ccc3cccnc3c21 ZINC001227763617 1053014584 /nfs/dbraw/zinc/01/45/84/1053014584.db2.gz FNVCCBSQGFYJIQ-HNNXBMFYSA-N 1 0 308.425 4.497 20 5 DIBDRO Cc1ccc(C[NH2+]C2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000237760759 1053024855 /nfs/dbraw/zinc/02/48/55/1053024855.db2.gz XBYOUYIUIQUYSZ-UHFFFAOYSA-N 1 0 310.397 4.462 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000237751671 1053025081 /nfs/dbraw/zinc/02/50/81/1053025081.db2.gz GYYPWBPXNVMGEK-QWHCGFSZSA-N 1 0 316.323 4.114 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC001228090919 1053042678 /nfs/dbraw/zinc/04/26/78/1053042678.db2.gz QTZDZQZTJXNXCO-JTQLQIEISA-N 1 0 314.236 4.015 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCCC3)s2)cc1 ZINC000237988342 1053045046 /nfs/dbraw/zinc/04/50/46/1053045046.db2.gz XFIQSPAVQUGQKD-UHFFFAOYSA-N 1 0 302.399 4.356 20 5 DIBDRO O[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)c1ccco1 ZINC000238059106 1053049391 /nfs/dbraw/zinc/04/93/91/1053049391.db2.gz XRIFDABIHSZZLS-FQEVSTJZSA-N 1 0 317.388 4.409 20 5 DIBDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001228177221 1053050299 /nfs/dbraw/zinc/05/02/99/1053050299.db2.gz ZCNSENUBTQCTTE-KRWDZBQOSA-N 1 0 306.409 4.250 20 5 DIBDRO CC[N@@H+]1CCC[C@@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001228175261 1053050388 /nfs/dbraw/zinc/05/03/88/1053050388.db2.gz AXTKLGYGNLIIJL-QGZVFWFLSA-N 1 0 306.409 4.251 20 5 DIBDRO C[N@@H+]1CCC[C@@H](Oc2c3ccccc3c(O)c3ccccc32)C1 ZINC001229025399 1053228729 /nfs/dbraw/zinc/22/87/29/1053228729.db2.gz OEIYWCQNFHTKOA-CQSZACIVSA-N 1 0 307.393 4.172 20 5 DIBDRO C[N@@H+]1CCC[C@H](Oc2c3ccccc3c(O)c3ccccc32)C1 ZINC001229025398 1053228895 /nfs/dbraw/zinc/22/88/95/1053228895.db2.gz OEIYWCQNFHTKOA-AWEZNQCLSA-N 1 0 307.393 4.172 20 5 DIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2(C)CC2)cc1[N+](=O)[O-] ZINC001319951930 1053288566 /nfs/dbraw/zinc/28/85/66/1053288566.db2.gz SKCFROCEFJYQRF-UHFFFAOYSA-N 1 0 311.385 4.005 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000069783666 1053294763 /nfs/dbraw/zinc/29/47/63/1053294763.db2.gz LCKZWQJAUIOCPE-UHFFFAOYSA-N 1 0 308.337 4.145 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3cnccc3c2)cc1[N+](=O)[O-] ZINC000618725858 1053354190 /nfs/dbraw/zinc/35/41/90/1053354190.db2.gz WKMOMJQNIBIXHH-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([C@H](C)c2ccc(O)cc2)cc1 ZINC001229578975 1053358463 /nfs/dbraw/zinc/35/84/63/1053358463.db2.gz RUQAZISYFONZJV-HZPDHXFCSA-O 1 0 314.449 4.018 20 5 DIBDRO C[C@@H](Oc1cccc([C@H](C)[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC001229628706 1053369069 /nfs/dbraw/zinc/36/90/69/1053369069.db2.gz WHIBIXDAGDJXIJ-UONOGXRCSA-N 1 0 314.385 4.357 20 5 DIBDRO CS[C@@H]1CC[C@@H]([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001321750169 1053432702 /nfs/dbraw/zinc/43/27/02/1053432702.db2.gz ZNMZZQYDCIYNPZ-ZMRGCFQXSA-N 1 0 320.458 4.214 20 5 DIBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001230040695 1053460549 /nfs/dbraw/zinc/46/05/49/1053460549.db2.gz OOKLELOLKUXATO-SECBINFHSA-N 1 0 321.204 4.011 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000619611341 1053518890 /nfs/dbraw/zinc/51/88/90/1053518890.db2.gz PWIHURGIGVVJPA-XJKSGUPXSA-N 1 0 311.385 4.026 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(Cl)c1[N+](=O)[O-])C2 ZINC001230914410 1053623767 /nfs/dbraw/zinc/62/37/67/1053623767.db2.gz IGZPVXMZIKGYCZ-ITGUQSILSA-N 1 0 324.808 4.031 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ccc(F)cc2F)cc1 ZINC001230958714 1053636884 /nfs/dbraw/zinc/63/68/84/1053636884.db2.gz FGDNSCMIMKRXQY-CYBMUJFWSA-N 1 0 306.376 4.105 20 5 DIBDRO CCc1ccc(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC001200640603 1053842396 /nfs/dbraw/zinc/84/23/96/1053842396.db2.gz WJNHEEIJHFNLOJ-SSZFMOIBSA-N 1 0 324.424 4.393 20 5 DIBDRO Clc1c2ccccc2c(C[NH+]2CC3(COC3)C2)c2ccccc12 ZINC001231826389 1053879172 /nfs/dbraw/zinc/87/91/72/1053879172.db2.gz HCYRPGRVSHZKJU-UHFFFAOYSA-N 1 0 323.823 4.479 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@@H](C)C1 ZINC001232221733 1053995710 /nfs/dbraw/zinc/99/57/10/1053995710.db2.gz DKJYEZFQCXJBQO-CABCVRRESA-N 1 0 305.425 4.403 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C/C=C\c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001200810688 1053998203 /nfs/dbraw/zinc/99/82/03/1053998203.db2.gz AAMYRGILJFACSN-NQHOJNORSA-N 1 0 314.360 4.406 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(C(F)F)c1 ZINC001329742251 1054006393 /nfs/dbraw/zinc/00/63/93/1054006393.db2.gz BDCXHAZGQMHFQM-UHFFFAOYSA-N 1 0 320.339 4.439 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1F ZINC000848556471 1054148157 /nfs/dbraw/zinc/14/81/57/1054148157.db2.gz YNXNHAJEQBPOGJ-BDJLRTHQSA-N 1 0 317.364 4.118 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CF)cc1[N+](=O)[O-] ZINC001335613644 1054221275 /nfs/dbraw/zinc/22/12/75/1054221275.db2.gz PMXDPCQUEYPGPI-CYBMUJFWSA-N 1 0 302.349 4.224 20 5 DIBDRO Cc1cc(F)c(OC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001234058516 1054426380 /nfs/dbraw/zinc/42/63/80/1054426380.db2.gz FMAZRFQVBLBGDV-UHFFFAOYSA-N 1 0 324.396 4.073 20 5 DIBDRO CC(C)c1cc(Br)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234310008 1054494850 /nfs/dbraw/zinc/49/48/50/1054494850.db2.gz CZUYDGUSQCAGBL-GFCCVEGCSA-N 1 0 315.275 4.046 20 5 DIBDRO [NH3+][C@H]1CCN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001235363609 1054710640 /nfs/dbraw/zinc/71/06/40/1054710640.db2.gz SQDDVZDCUKKBAV-ZDUSSCGKSA-N 1 0 310.828 4.179 20 5 DIBDRO CCN(Cc1c2ccccc2cc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001235969718 1054876911 /nfs/dbraw/zinc/87/69/11/1054876911.db2.gz FJOQZMDOQMIUQE-GOSISDBHSA-N 1 0 304.437 4.177 20 5 DIBDRO C[NH2+][C@@H]1CCN1Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001236169366 1054979801 /nfs/dbraw/zinc/97/98/01/1054979801.db2.gz ZMUYBCHHOYSJAO-IBGZPJMESA-N 1 0 300.405 4.335 20 5 DIBDRO c1ccc2cc3c(cc2c1)ncnc3-c1cccc2c1CC[NH2+]C2 ZINC001236340928 1055068007 /nfs/dbraw/zinc/06/80/07/1055068007.db2.gz OEULGHJGOIXVNE-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnc(Cl)c1 ZINC000765336267 1055366266 /nfs/dbraw/zinc/36/62/66/1055366266.db2.gz HSOHAYMXZQWRDV-WDEREUQCSA-N 1 0 305.765 4.055 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000765336262 1055367440 /nfs/dbraw/zinc/36/74/40/1055367440.db2.gz HSOHAYMXZQWRDV-GHMZBOCLSA-N 1 0 305.765 4.055 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](C)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000765435953 1055388467 /nfs/dbraw/zinc/38/84/67/1055388467.db2.gz DZFFYTIRIRSDGX-HIFRSBDPSA-N 1 0 314.385 4.021 20 5 DIBDRO CC(C)(C)c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC001620888758 1055512898 /nfs/dbraw/zinc/51/28/98/1055512898.db2.gz RSEZKQWUTSWTMM-UHFFFAOYSA-N 1 0 318.442 4.286 20 5 DIBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001620923528 1055543672 /nfs/dbraw/zinc/54/36/72/1055543672.db2.gz LDJLIFVGGKWZJV-KBPBESRZSA-N 1 0 314.385 4.381 20 5 DIBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001168570317 1055656335 /nfs/dbraw/zinc/65/63/35/1055656335.db2.gz MNEAUPBZKTYTCE-JQWIXIFHSA-N 1 0 316.323 4.377 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000078358667 1055686942 /nfs/dbraw/zinc/68/69/42/1055686942.db2.gz YNVZBOOPEAOPTO-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2cc(C)sc2C)ccc1[N+](=O)[O-] ZINC000347566013 1055831982 /nfs/dbraw/zinc/83/19/82/1055831982.db2.gz QKILSGDMXPFFOI-LLVKDONJSA-N 1 0 320.414 4.133 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc2cccnc21 ZINC001620757052 1055927187 /nfs/dbraw/zinc/92/71/87/1055927187.db2.gz VUEKTKHMBHQYMR-UHFFFAOYSA-N 1 0 321.380 4.050 20 5 DIBDRO C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000073432045 1055939770 /nfs/dbraw/zinc/93/97/70/1055939770.db2.gz XFKCWBJHGZFVJR-LLVKDONJSA-N 1 0 306.312 4.066 20 5 DIBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001620786185 1055959691 /nfs/dbraw/zinc/95/96/91/1055959691.db2.gz ACECFXCYXFFQAH-YCRPNKLZSA-N 1 0 307.437 4.490 20 5 DIBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001620786183 1055960257 /nfs/dbraw/zinc/96/02/57/1055960257.db2.gz ACECFXCYXFFQAH-QVKFZJNVSA-N 1 0 307.437 4.490 20 5 DIBDRO Cc1c(C[N@@H+]2CCc3ccsc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC001620547450 1055964832 /nfs/dbraw/zinc/96/48/32/1055964832.db2.gz PDJIDDKUHHFPNP-LBPRGKRZSA-N 1 0 302.399 4.084 20 5 DIBDRO CC(C)C[C@@H](CO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001620997064 1055966327 /nfs/dbraw/zinc/96/63/27/1055966327.db2.gz VVUOOFWLKWNXNF-SFHVURJKSA-N 1 0 307.437 4.490 20 5 DIBDRO Cc1ccc(C[NH2+]CC2CCc3ccccc3CC2)cc1[N+](=O)[O-] ZINC001621016912 1055983003 /nfs/dbraw/zinc/98/30/03/1055983003.db2.gz CMLWIHBGOMSFLP-UHFFFAOYSA-N 1 0 324.424 4.188 20 5 DIBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1(C)C ZINC001620812631 1056005877 /nfs/dbraw/zinc/00/58/77/1056005877.db2.gz OEWUWAROGUIYLH-SJLPKXTDSA-N 1 0 320.433 4.011 20 5 DIBDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001621055037 1056012061 /nfs/dbraw/zinc/01/20/61/1056012061.db2.gz FWAZAGUYPIRFSS-AWEZNQCLSA-N 1 0 314.385 4.234 20 5 DIBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001168601503 1056019517 /nfs/dbraw/zinc/01/95/17/1056019517.db2.gz RUIVEQOSVRFFAS-WMZOPIPTSA-N 1 0 313.401 4.033 20 5 DIBDRO Cc1c(C[NH+]2CC(c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001621340776 1056047565 /nfs/dbraw/zinc/04/75/65/1056047565.db2.gz VBZFFEVXJOJAAF-UHFFFAOYSA-N 1 0 316.788 4.156 20 5 DIBDRO O=[N+]([O-])c1sccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001611945174 1056212186 /nfs/dbraw/zinc/21/21/86/1056212186.db2.gz QLELEEBHIGVABJ-UHFFFAOYSA-N 1 0 317.414 4.038 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC001621087152 1056424920 /nfs/dbraw/zinc/42/49/20/1056424920.db2.gz ZQLVBTZKUAVZHP-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO CC(C)C[N@H+](CCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001615280006 1056486540 /nfs/dbraw/zinc/48/65/40/1056486540.db2.gz HWFTWLBFFRTEBN-UHFFFAOYSA-N 1 0 318.442 4.357 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CC)ccc1[N+](=O)[O-] ZINC001615600239 1056542233 /nfs/dbraw/zinc/54/22/33/1056542233.db2.gz HGXCGINHLSYPLW-GDBMZVCRSA-N 1 0 320.433 4.394 20 5 DIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001615584014 1056542960 /nfs/dbraw/zinc/54/29/60/1056542960.db2.gz OUUZUBHMYJSLOQ-INIZCTEOSA-N 1 0 312.413 4.275 20 5 DIBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001615601410 1056543115 /nfs/dbraw/zinc/54/31/15/1056543115.db2.gz UTWJHPPKGHAGKB-BDJLRTHQSA-N 1 0 312.360 4.274 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC001615640086 1056554470 /nfs/dbraw/zinc/55/44/70/1056554470.db2.gz QUNZSJYTUCZPJT-KGLIPLIRSA-N 1 0 306.406 4.002 20 5 DIBDRO C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001615806293 1056578441 /nfs/dbraw/zinc/57/84/41/1056578441.db2.gz QNVHMCAOZNEZCL-HXUWFJFHSA-N 1 0 324.424 4.440 20 5 DIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001615804481 1056578906 /nfs/dbraw/zinc/57/89/06/1056578906.db2.gz DTOUCILLYKKXSM-GUYCJALGSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001615804477 1056579338 /nfs/dbraw/zinc/57/93/38/1056579338.db2.gz DTOUCILLYKKXSM-DYVFJYSZSA-N 1 0 314.360 4.112 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC001616295596 1056629785 /nfs/dbraw/zinc/62/97/85/1056629785.db2.gz QJXAGCLSSPXTHG-HZPDHXFCSA-N 1 0 320.433 4.298 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC001616295594 1056629797 /nfs/dbraw/zinc/62/97/97/1056629797.db2.gz QJXAGCLSSPXTHG-CVEARBPZSA-N 1 0 320.433 4.298 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC001616333100 1056635929 /nfs/dbraw/zinc/63/59/29/1056635929.db2.gz WPEIHJWUIPPUDM-OAHLLOKOSA-N 1 0 306.406 4.148 20 5 DIBDRO C/C(=C\c1ccccc1)CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001617183081 1056789172 /nfs/dbraw/zinc/78/91/72/1056789172.db2.gz QRVPUPXTTPRDLW-GXDHUFHOSA-N 1 0 314.360 4.269 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001617272373 1056805909 /nfs/dbraw/zinc/80/59/09/1056805909.db2.gz AMPFFNJMOIFWDZ-WMZOPIPTSA-N 1 0 304.434 4.332 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCc2ccccc2CC1 ZINC001617968892 1056909000 /nfs/dbraw/zinc/90/90/00/1056909000.db2.gz NCUNLVOXAVZERH-INIZCTEOSA-N 1 0 324.424 4.455 20 5 DIBDRO CCCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001618214873 1056936266 /nfs/dbraw/zinc/93/62/66/1056936266.db2.gz RGZSZDKKYCABGL-HOCLYGCPSA-N 1 0 305.422 4.171 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C)CCCC(C)(C)O ZINC001168713177 1056976263 /nfs/dbraw/zinc/97/62/63/1056976263.db2.gz YNZUXPGIWPCLQN-MRXNPFEDSA-N 1 0 307.502 4.025 20 5 DIBDRO Cc1cc(F)ccc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000922667600 1057046053 /nfs/dbraw/zinc/04/60/53/1057046053.db2.gz NWZIYCGINSXQRA-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922845011 1057069486 /nfs/dbraw/zinc/06/94/86/1057069486.db2.gz KADQCUYLASUFKT-VFQAQYNWSA-N 1 0 318.442 4.016 20 5 DIBDRO COc1cccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1 ZINC000302212714 1057103070 /nfs/dbraw/zinc/10/30/70/1057103070.db2.gz ZAMYKIUPZHZMHO-UHFFFAOYSA-N 1 0 323.352 4.072 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000282434362 1057119900 /nfs/dbraw/zinc/11/99/00/1057119900.db2.gz HQYAZCGHEQFGHL-LLVKDONJSA-N 1 0 320.389 4.307 20 5 DIBDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000603926154 1057159664 /nfs/dbraw/zinc/15/96/64/1057159664.db2.gz NLCZMXTZCSBNCQ-UHFFFAOYSA-N 1 0 314.385 4.016 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000171762444 1057240728 /nfs/dbraw/zinc/24/07/28/1057240728.db2.gz CGCQEZWQAFVAFC-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000040675968 1057310930 /nfs/dbraw/zinc/31/09/30/1057310930.db2.gz KDKWZOZNQNLARI-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccoc1C ZINC000611248195 1057586030 /nfs/dbraw/zinc/58/60/30/1057586030.db2.gz JPPITVWWUCJVCI-CQSZACIVSA-N 1 0 320.414 4.157 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000611265466 1057587513 /nfs/dbraw/zinc/58/75/13/1057587513.db2.gz SSTWOYIHGTXBGI-HNSSHINMSA-N 1 0 324.380 4.151 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000611336837 1057591342 /nfs/dbraw/zinc/59/13/42/1057591342.db2.gz PNDITGVIHZUDPZ-WMLDXEAASA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000611337221 1057591617 /nfs/dbraw/zinc/59/16/17/1057591617.db2.gz NCZQSYUZSOZXJN-UQPPLGOBSA-N 1 0 320.433 4.290 20 5 DIBDRO CC[NH+](CC)Cc1ccc(CNc2sccc2[N+](=O)[O-])cc1 ZINC000611411417 1057598094 /nfs/dbraw/zinc/59/80/94/1057598094.db2.gz URAUGOTVKBQXLU-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000611433771 1057599072 /nfs/dbraw/zinc/59/90/72/1057599072.db2.gz SJWBVKSLQKRMMJ-CQSZACIVSA-N 1 0 317.389 4.185 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000611475763 1057603081 /nfs/dbraw/zinc/60/30/81/1057603081.db2.gz GVUPPMPAOQHWAD-AEGPPILISA-N 1 0 324.371 4.083 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000611475767 1057603254 /nfs/dbraw/zinc/60/32/54/1057603254.db2.gz GVUPPMPAOQHWAD-NWANDNLSSA-N 1 0 324.371 4.083 20 5 DIBDRO Cc1ccc(C[NH2+]C2CC(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000731453897 1057744736 /nfs/dbraw/zinc/74/47/36/1057744736.db2.gz SAGPMTMSNZPLET-UHFFFAOYSA-N 1 0 314.360 4.078 20 5 DIBDRO C[NH2+]Cc1cccc(-c2cnc3c(ccc4cccnc43)c2)c1F ZINC001244860902 1058059193 /nfs/dbraw/zinc/05/91/93/1058059193.db2.gz CJYPICJMIAEGOX-UHFFFAOYSA-N 1 0 317.367 4.309 20 5 DIBDRO CC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001559502119 1059289865 /nfs/dbraw/zinc/28/98/65/1059289865.db2.gz DJEPLCRONCVFLF-UHFFFAOYSA-N 1 0 324.833 4.374 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001559527913 1059324304 /nfs/dbraw/zinc/32/43/04/1059324304.db2.gz QDNRPMWFDQJIOK-IBGZPJMESA-N 1 0 324.424 4.092 20 5 DIBDRO CC(C)(C)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001559541384 1059344261 /nfs/dbraw/zinc/34/42/61/1059344261.db2.gz OVBNHANWBRYZJJ-INIZCTEOSA-N 1 0 304.434 4.286 20 5 DIBDRO CC(C)Cc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001559593825 1059429064 /nfs/dbraw/zinc/42/90/64/1059429064.db2.gz FCOHBOWFBOMJQN-UHFFFAOYSA-N 1 0 324.424 4.352 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](CC[C@@H]2CCCC2(F)F)C2CC2)c1 ZINC001559607547 1059439416 /nfs/dbraw/zinc/43/94/16/1059439416.db2.gz POIBDCBXQSBWQN-AWEZNQCLSA-N 1 0 324.371 4.385 20 5 DIBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001559647283 1059474979 /nfs/dbraw/zinc/47/49/79/1059474979.db2.gz DGKMYYZYATYBKK-HIFRSBDPSA-N 1 0 306.406 4.004 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)c(Cl)c1 ZINC001559682873 1059511219 /nfs/dbraw/zinc/51/12/19/1059511219.db2.gz SCPBYMQKIZCHKR-QGZVFWFLSA-N 1 0 316.788 4.489 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001559697288 1059526094 /nfs/dbraw/zinc/52/60/94/1059526094.db2.gz YOGOXONYGCMHAK-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001559703417 1059532044 /nfs/dbraw/zinc/53/20/44/1059532044.db2.gz XBFFWZVQRYFVAA-KRWDZBQOSA-N 1 0 309.369 4.317 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001559703660 1059532895 /nfs/dbraw/zinc/53/28/95/1059532895.db2.gz JGNDGORWRAVHGT-DLBZAZTESA-N 1 0 318.417 4.127 20 5 DIBDRO CCCC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCC1 ZINC001559737523 1059569051 /nfs/dbraw/zinc/56/90/51/1059569051.db2.gz YMSIBVNJZCFJOT-HNNXBMFYSA-N 1 0 324.396 4.191 20 5 DIBDRO CC(C)(C)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001559754432 1059584885 /nfs/dbraw/zinc/58/48/85/1059584885.db2.gz VBRXMRCZHHYNRG-UHFFFAOYSA-N 1 0 320.433 4.122 20 5 DIBDRO Cc1cccc(CCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001559782012 1059618044 /nfs/dbraw/zinc/61/80/44/1059618044.db2.gz BDWPMSUYZYHFTE-UHFFFAOYSA-N 1 0 312.413 4.010 20 5 DIBDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC001559811551 1059646133 /nfs/dbraw/zinc/64/61/33/1059646133.db2.gz LKOVEMBRAQAMKY-NSNWQYSKSA-N 1 0 320.433 4.085 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1CC2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001559869139 1059690242 /nfs/dbraw/zinc/69/02/42/1059690242.db2.gz LCXCPIKWBYMRLS-NRXISQOPSA-N 1 0 302.418 4.246 20 5 DIBDRO CCOc1cc(C[NH2+][C@@]2(C)CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001559892922 1059709147 /nfs/dbraw/zinc/70/91/47/1059709147.db2.gz CYZTWNCUCUBJDF-DYVFJYSZSA-N 1 0 306.406 4.052 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001559911061 1059724609 /nfs/dbraw/zinc/72/46/09/1059724609.db2.gz DNECCBKKZADNDL-YCPHGPKFSA-N 1 0 320.433 4.298 20 5 DIBDRO [NH3+][C@H]1CC[C@@H]1c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001248327606 1059782850 /nfs/dbraw/zinc/78/28/50/1059782850.db2.gz OUZKTMKVWWCNQR-WMZOPIPTSA-N 1 0 315.376 4.248 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC001560017166 1059825403 /nfs/dbraw/zinc/82/54/03/1059825403.db2.gz AQZQPOAGKZPFFR-MRXNPFEDSA-N 1 0 318.417 4.148 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](C3CCC3)CC2)c(F)c1 ZINC001560091574 1059903281 /nfs/dbraw/zinc/90/32/81/1059903281.db2.gz MNBGUPOCBWKPAE-ZDUSSCGKSA-N 1 0 324.371 4.275 20 5 DIBDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001560326719 1060112755 /nfs/dbraw/zinc/11/27/55/1060112755.db2.gz IYICTLMASMBRQG-GFCCVEGCSA-N 1 0 316.426 4.459 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC001560503518 1060299866 /nfs/dbraw/zinc/29/98/66/1060299866.db2.gz OYDYOZBASSEBMP-JKSUJKDBSA-N 1 0 302.418 4.128 20 5 DIBDRO Cc1c(C[NH2+][C@H](C2CCC2)C2CCCC2)cccc1[N+](=O)[O-] ZINC001560514319 1060311272 /nfs/dbraw/zinc/31/12/72/1060311272.db2.gz NPFUSORAOKBNKH-SFHVURJKSA-N 1 0 302.418 4.352 20 5 DIBDRO CC1(C)C[C@]1(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001560540139 1060345608 /nfs/dbraw/zinc/34/56/08/1060345608.db2.gz DREPJFHISZWNIQ-KRWDZBQOSA-N 1 0 300.358 4.133 20 5 DIBDRO CC1(C)C[C@@]1(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001560540140 1060347460 /nfs/dbraw/zinc/34/74/60/1060347460.db2.gz DREPJFHISZWNIQ-QGZVFWFLSA-N 1 0 300.358 4.133 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)C[C@H]2C[C@H]2C1 ZINC001560552692 1060364355 /nfs/dbraw/zinc/36/43/55/1060364355.db2.gz KASLSLMYKLFINS-HABVDFCKSA-N 1 0 300.402 4.024 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc2scnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001560587394 1060400002 /nfs/dbraw/zinc/40/00/02/1060400002.db2.gz KVAQLCODDGKHAI-LLVKDONJSA-N 1 0 313.382 4.055 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]23C[C@H]2CCC3)o1 ZINC001560598774 1060412982 /nfs/dbraw/zinc/41/29/82/1060412982.db2.gz NLWINSDIEKECDX-ACJLOTCBSA-N 1 0 312.369 4.135 20 5 DIBDRO C/C(=C/c1ccccc1)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001560603733 1060417374 /nfs/dbraw/zinc/41/73/74/1060417374.db2.gz FFKVMESJWYOVLW-IRVMHKCDSA-N 1 0 310.397 4.391 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H]43)o2)c1 ZINC001560615641 1060429056 /nfs/dbraw/zinc/42/90/56/1060429056.db2.gz WXFPDGFHTQKTHD-OAUYIBNBSA-N 1 0 312.369 4.133 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC001560705725 1060562978 /nfs/dbraw/zinc/56/29/78/1060562978.db2.gz PVYZBUKIOWBWRF-ZLDLUXBVSA-N 1 0 308.809 4.259 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\c1ccccc1 ZINC001560708447 1060564153 /nfs/dbraw/zinc/56/41/53/1060564153.db2.gz KRMJPDBPEFCOEF-BSDKJSHOSA-N 1 0 310.397 4.219 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/c1ccccc1 ZINC001560708449 1060564786 /nfs/dbraw/zinc/56/47/86/1060564786.db2.gz KRMJPDBPEFCOEF-OJXHRBAXSA-N 1 0 310.397 4.219 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccccc1 ZINC001560736183 1060603080 /nfs/dbraw/zinc/60/30/80/1060603080.db2.gz NMBPFGAAODFAOP-HZPDHXFCSA-N 1 0 312.413 4.309 20 5 DIBDRO CS[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001560752390 1060618829 /nfs/dbraw/zinc/61/88/29/1060618829.db2.gz CQCAVRNPKGTHEJ-ZDUSSCGKSA-N 1 0 316.854 4.116 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001560895770 1060758928 /nfs/dbraw/zinc/75/89/28/1060758928.db2.gz ZDJVZCUGJCCFRP-LSDHHAIUSA-N 1 0 304.434 4.474 20 5 DIBDRO Cc1c(C[NH+]2CC([C@@H]3CCC[C@@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC001560977763 1060842279 /nfs/dbraw/zinc/84/22/79/1060842279.db2.gz JSPLBKBJOZAVBN-UKRRQHHQSA-N 1 0 302.418 4.161 20 5 DIBDRO CCCCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001560995446 1060856584 /nfs/dbraw/zinc/85/65/84/1060856584.db2.gz MNYBZKGAZHHRMF-COXVUDFISA-N 1 0 320.433 4.229 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCc1ccsc1 ZINC001561051984 1060901629 /nfs/dbraw/zinc/90/16/29/1060901629.db2.gz OLDBKNJDSAYACN-UHFFFAOYSA-N 1 0 310.806 4.032 20 5 DIBDRO CC[C@@H](C)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473204488 1060971811 /nfs/dbraw/zinc/97/18/11/1060971811.db2.gz SMDMDIOOABQGCK-CQSZACIVSA-N 1 0 308.422 4.250 20 5 DIBDRO Cc1ccc(F)cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001473232952 1061012609 /nfs/dbraw/zinc/01/26/09/1061012609.db2.gz AXVSBLSJVNXGSZ-UHFFFAOYSA-N 1 0 314.360 4.207 20 5 DIBDRO CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001462218803 1061035371 /nfs/dbraw/zinc/03/53/71/1061035371.db2.gz GRKWOPPNWBMUFJ-WBVHZDCISA-N 1 0 302.418 4.062 20 5 DIBDRO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001462218797 1061035859 /nfs/dbraw/zinc/03/58/59/1061035859.db2.gz GRKWOPPNWBMUFJ-DOTOQJQBSA-N 1 0 302.418 4.062 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](CC)C2CCCCC2)ccc1[N+](=O)[O-] ZINC001473312712 1061077601 /nfs/dbraw/zinc/07/76/01/1061077601.db2.gz RLDOCDFHCWEACB-INIZCTEOSA-N 1 0 320.433 4.442 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001462337377 1061115815 /nfs/dbraw/zinc/11/58/15/1061115815.db2.gz BXJWUJQCIAUKRS-QXSWTLKVSA-N 1 0 300.402 4.120 20 5 DIBDRO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC001473378383 1061122483 /nfs/dbraw/zinc/12/24/83/1061122483.db2.gz DCLYNYZIKYZKPV-QINSGFPZSA-N 1 0 310.397 4.439 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001473391254 1061132511 /nfs/dbraw/zinc/13/25/11/1061132511.db2.gz NABOHGXDEYUDFZ-ICSRJNTNSA-N 1 0 324.424 4.138 20 5 DIBDRO Cc1cc(C)c2c(c1)C[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC001473397588 1061134364 /nfs/dbraw/zinc/13/43/64/1061134364.db2.gz MNFXGQFWWPRCTN-HNNXBMFYSA-N 1 0 310.397 4.331 20 5 DIBDRO Cc1c(C[N@@H+]2CC3(CC=CC3)[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001462395412 1061147944 /nfs/dbraw/zinc/14/79/44/1061147944.db2.gz NHEXGOKWEWWVFI-KRWDZBQOSA-N 1 0 300.402 4.080 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001462396913 1061148807 /nfs/dbraw/zinc/14/88/07/1061148807.db2.gz RYGHBPYQSAQLOD-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001473493277 1061186789 /nfs/dbraw/zinc/18/67/89/1061186789.db2.gz YKLBTQSONSIRDF-HNNXBMFYSA-N 1 0 314.360 4.114 20 5 DIBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001473565485 1061253481 /nfs/dbraw/zinc/25/34/81/1061253481.db2.gz TUCNQYMMLJAPBZ-XJKSGUPXSA-N 1 0 308.397 4.381 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001462556601 1061258870 /nfs/dbraw/zinc/25/88/70/1061258870.db2.gz MKKVRROJAXHFKK-TYNCELHUSA-N 1 0 308.447 4.166 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001462632407 1061308559 /nfs/dbraw/zinc/30/85/59/1061308559.db2.gz VXOCUQJWIKGMOW-KBPBESRZSA-N 1 0 316.376 4.058 20 5 DIBDRO CC(C)(C)[N@H+](Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC001473634887 1061309086 /nfs/dbraw/zinc/30/90/86/1061309086.db2.gz XBUIPSMDYYMROU-UHFFFAOYSA-N 1 0 304.415 4.457 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC=CCCC1 ZINC001462656167 1061323801 /nfs/dbraw/zinc/32/38/01/1061323801.db2.gz GBQUOZCIHAPKRG-ZDUSSCGKSA-N 1 0 308.809 4.474 20 5 DIBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001473818833 1061423488 /nfs/dbraw/zinc/42/34/88/1061423488.db2.gz XGDJNHHLSQXEES-CJNGLKHVSA-N 1 0 316.426 4.424 20 5 DIBDRO CCC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473859007 1061436935 /nfs/dbraw/zinc/43/69/35/1061436935.db2.gz ARLGAJPLQNQUPJ-OAHLLOKOSA-N 1 0 306.406 4.147 20 5 DIBDRO CCC[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001473877905 1061447133 /nfs/dbraw/zinc/44/71/33/1061447133.db2.gz LMKIKVPLMCPVGD-IBGZPJMESA-N 1 0 312.413 4.442 20 5 DIBDRO CCc1ccc2c(c1)CC[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC001473902707 1061451977 /nfs/dbraw/zinc/45/19/77/1061451977.db2.gz VTCBZXBFSXXCIQ-CQSZACIVSA-N 1 0 310.397 4.277 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001251894755 1061527885 /nfs/dbraw/zinc/52/78/85/1061527885.db2.gz CVHUIOZIZQNSPV-QWHCGFSZSA-N 1 0 308.809 4.260 20 5 DIBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC001458082562 1061562049 /nfs/dbraw/zinc/56/20/49/1061562049.db2.gz IEYIXXVTUCGLCE-GOSISDBHSA-N 1 0 319.449 4.216 20 5 DIBDRO Cc1ccc(F)cc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001474033080 1061575445 /nfs/dbraw/zinc/57/54/45/1061575445.db2.gz XGYKVFZYDLLBTN-UHFFFAOYSA-N 1 0 316.376 4.155 20 5 DIBDRO Cc1cc(NCCCCC[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001458200865 1061628545 /nfs/dbraw/zinc/62/85/45/1061628545.db2.gz WIEPXYHTQHERDM-UHFFFAOYSA-N 1 0 323.412 4.110 20 5 DIBDRO CC(C)[C@H](CO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001474138386 1061684449 /nfs/dbraw/zinc/68/44/49/1061684449.db2.gz YHCHRUDEBPYOOE-SFHVURJKSA-N 1 0 307.437 4.347 20 5 DIBDRO C[C@H](CCO)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001474157719 1061698262 /nfs/dbraw/zinc/69/82/62/1061698262.db2.gz PJZVOVSZFRBRRQ-INIZCTEOSA-N 1 0 307.437 4.491 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC001474177853 1061725371 /nfs/dbraw/zinc/72/53/71/1061725371.db2.gz ZUFQSOHUDAGGJW-JKSUJKDBSA-N 1 0 320.433 4.298 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001474192110 1061742379 /nfs/dbraw/zinc/74/23/79/1061742379.db2.gz KOCPFYRCUZFUFN-SLEKKXSGSA-N 1 0 322.408 4.391 20 5 DIBDRO C[C@@H]([NH2+]Cc1c2ccccc2cc2ccccc21)C1(CO)CC1 ZINC001474205561 1061759301 /nfs/dbraw/zinc/75/93/01/1061759301.db2.gz UPXWYKLVVYLGQS-OAHLLOKOSA-N 1 0 305.421 4.244 20 5 DIBDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001474206133 1061759621 /nfs/dbraw/zinc/75/96/21/1061759621.db2.gz WWNDZTUVHGLFFL-KRWDZBQOSA-N 1 0 316.376 4.153 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC001474215683 1061770698 /nfs/dbraw/zinc/77/06/98/1061770698.db2.gz GJPSRUNVBVXNOT-SFHVURJKSA-N 1 0 314.385 4.379 20 5 DIBDRO CCC[C@@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001474252883 1061820795 /nfs/dbraw/zinc/82/07/95/1061820795.db2.gz ZOLBHNSAZSVIKS-LLVKDONJSA-N 1 0 316.348 4.112 20 5 DIBDRO Cc1cccc2[nH]c(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])cc21 ZINC001474256617 1061822280 /nfs/dbraw/zinc/82/22/80/1061822280.db2.gz SONXIBPYJNKQRR-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC001474268637 1061836717 /nfs/dbraw/zinc/83/67/17/1061836717.db2.gz CXPJPTGCFAEVTK-ZOBUZTSGSA-N 1 0 302.418 4.244 20 5 DIBDRO CCS[C@@H]1CCCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001474316173 1061887560 /nfs/dbraw/zinc/88/75/60/1061887560.db2.gz KEODPEYAOXBBIO-OAHLLOKOSA-N 1 0 322.474 4.319 20 5 DIBDRO CC(C)C1CCC(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001474381760 1062026381 /nfs/dbraw/zinc/02/63/81/1062026381.db2.gz PIMVPXCSQJKXHV-UHFFFAOYSA-N 1 0 316.445 4.415 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(F)cc1 ZINC001474414966 1062082928 /nfs/dbraw/zinc/08/29/28/1062082928.db2.gz JMEAHWPDSSLNPO-UVTDQMKNSA-N 1 0 314.360 4.269 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC001474423763 1062097322 /nfs/dbraw/zinc/09/73/22/1062097322.db2.gz BKQMGFHQPFEQPW-UHFFFAOYSA-N 1 0 309.369 4.101 20 5 DIBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC001459472560 1062158708 /nfs/dbraw/zinc/15/87/08/1062158708.db2.gz ZACINEGQFLSAHY-QWHCGFSZSA-N 1 0 306.406 4.002 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC001254534715 1062163282 /nfs/dbraw/zinc/16/32/82/1062163282.db2.gz BWSWAEGDMKHVOI-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1F ZINC001254534714 1062163599 /nfs/dbraw/zinc/16/35/99/1062163599.db2.gz BWSWAEGDMKHVOI-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(Cl)cc1 ZINC001254537028 1062164172 /nfs/dbraw/zinc/16/41/72/1062164172.db2.gz VUSYXQAVVRAMOY-CYBMUJFWSA-N 1 0 318.804 4.012 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001254535797 1062164238 /nfs/dbraw/zinc/16/42/38/1062164238.db2.gz LAGAOWVINGCJJM-SUMWQHHRSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2occc2c1 ZINC001254537450 1062165640 /nfs/dbraw/zinc/16/56/40/1062165640.db2.gz DZGXIRFNSKDJCD-CYBMUJFWSA-N 1 0 310.353 4.062 20 5 DIBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532020 1062165695 /nfs/dbraw/zinc/16/56/95/1062165695.db2.gz INAQTTVCNPAMMQ-CYBMUJFWSA-N 1 0 323.396 4.120 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC001254540052 1062167659 /nfs/dbraw/zinc/16/76/59/1062167659.db2.gz OTVJLDDYMNNGAL-PMUMKWKESA-N 1 0 310.397 4.364 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1cccc(F)c1 ZINC001254540144 1062167948 /nfs/dbraw/zinc/16/79/48/1062167948.db2.gz PBNQZJDTIQJNRJ-ZDUSSCGKSA-N 1 0 316.376 4.190 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(Cc2ccccc2)CC1 ZINC001254546391 1062169861 /nfs/dbraw/zinc/16/98/61/1062169861.db2.gz SBQURSPDOVIABJ-INIZCTEOSA-N 1 0 324.424 4.138 20 5 DIBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254542910 1062170212 /nfs/dbraw/zinc/17/02/12/1062170212.db2.gz PTBCGSYUCUAIKI-HOTGVXAUSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001254542945 1062170323 /nfs/dbraw/zinc/17/03/23/1062170323.db2.gz QKVXGOKYOUJMJZ-NWDGAFQWSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001254542767 1062170776 /nfs/dbraw/zinc/17/07/76/1062170776.db2.gz ASVQOXPAPJUUKF-WFASDCNBSA-N 1 0 324.371 4.083 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CC1CCC1 ZINC001254547785 1062170839 /nfs/dbraw/zinc/17/08/39/1062170839.db2.gz WRNWRTJALQUHHS-AWEZNQCLSA-N 1 0 304.434 4.332 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001254546455 1062171192 /nfs/dbraw/zinc/17/11/92/1062171192.db2.gz FVDAYIPDNSBTBR-RHSMWYFYSA-N 1 0 313.401 4.052 20 5 DIBDRO Cc1ccccc1C(C)(C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254549796 1062172821 /nfs/dbraw/zinc/17/28/21/1062172821.db2.gz WNKRKCBTQZPTPB-OAHLLOKOSA-N 1 0 312.413 4.359 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001254552379 1062173736 /nfs/dbraw/zinc/17/37/36/1062173736.db2.gz KZGZYCJXVTXBCT-CYBMUJFWSA-N 1 0 324.371 4.037 20 5 DIBDRO Cc1cccc(C2([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001254548711 1062174080 /nfs/dbraw/zinc/17/40/80/1062174080.db2.gz LAUUJBHAMBEBHE-OAHLLOKOSA-N 1 0 310.397 4.113 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCc2ccccc21 ZINC001254550016 1062174466 /nfs/dbraw/zinc/17/44/66/1062174466.db2.gz ZDOVTALRYHTRQM-MAUKXSAKSA-N 1 0 324.424 4.236 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(Cl)c1 ZINC001254558421 1062176916 /nfs/dbraw/zinc/17/69/16/1062176916.db2.gz AIOWBMITRORTQI-CYBMUJFWSA-N 1 0 318.804 4.311 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001254559218 1062180191 /nfs/dbraw/zinc/18/01/91/1062180191.db2.gz JTMXFHPVUKBITD-BFYDXBDKSA-N 1 0 302.418 4.180 20 5 DIBDRO CC[N@H+](Cc1ccccc1F)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560925 1062180508 /nfs/dbraw/zinc/18/05/08/1062180508.db2.gz ZSOFYOFSWKQFDF-CQSZACIVSA-N 1 0 316.376 4.187 20 5 DIBDRO CC[N@H+](Cc1cccs1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565343 1062180723 /nfs/dbraw/zinc/18/07/23/1062180723.db2.gz OHIRAMMZMADCME-CYBMUJFWSA-N 1 0 304.415 4.109 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001254562394 1062180801 /nfs/dbraw/zinc/18/08/01/1062180801.db2.gz LNKOCDQVBGEQOO-AEFFLSMTSA-N 1 0 324.424 4.090 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C/C=C/c1ccccc1 ZINC001254559567 1062180837 /nfs/dbraw/zinc/18/08/37/1062180837.db2.gz KXRUGVMKLLLDHB-YCABEKBOSA-N 1 0 310.397 4.171 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001254566920 1062183232 /nfs/dbraw/zinc/18/32/32/1062183232.db2.gz VDJMLSSWSNVUAX-MXWWQKGMSA-N 1 0 320.408 4.130 20 5 DIBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC001254572351 1062185470 /nfs/dbraw/zinc/18/54/70/1062185470.db2.gz LJEFIECIBUANGY-SMDDNHRTSA-N 1 0 316.788 4.066 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1C ZINC001254580921 1062189044 /nfs/dbraw/zinc/18/90/44/1062189044.db2.gz HZZCQXWXKPNONF-QFBILLFUSA-N 1 0 310.397 4.111 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC001254581380 1062189285 /nfs/dbraw/zinc/18/92/85/1062189285.db2.gz JPWHAVROGQCQTL-IBGZPJMESA-N 1 0 318.376 4.005 20 5 DIBDRO CC(C)c1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254584203 1062190448 /nfs/dbraw/zinc/19/04/48/1062190448.db2.gz FZEDHNXVVYPECA-LJQANCHMSA-N 1 0 324.424 4.018 20 5 DIBDRO CC(C)(C)[N@H+](Cc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600679 1062196595 /nfs/dbraw/zinc/19/65/95/1062196595.db2.gz UZLBGCMNLVMUFQ-LJQANCHMSA-N 1 0 324.424 4.363 20 5 DIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001459623600 1062259466 /nfs/dbraw/zinc/25/94/66/1062259466.db2.gz MEHJQNHWXLJYLV-DYVFJYSZSA-N 1 0 314.360 4.112 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC001474619143 1062338502 /nfs/dbraw/zinc/33/85/02/1062338502.db2.gz OHOLGGCCVSHBDS-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001459818704 1062424616 /nfs/dbraw/zinc/42/46/16/1062424616.db2.gz UTUJRQNNRYPYFS-MRXNPFEDSA-N 1 0 320.339 4.422 20 5 DIBDRO CC(C)(C)C[NH+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC001459893046 1062478447 /nfs/dbraw/zinc/47/84/47/1062478447.db2.gz SWJCSWBDAOCIEI-UHFFFAOYSA-N 1 0 322.449 4.368 20 5 DIBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459981935 1062543776 /nfs/dbraw/zinc/54/37/76/1062543776.db2.gz CQJBHOGFYYORGW-SWLSCSKDSA-N 1 0 324.396 4.191 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)Cc1ccsc1 ZINC001459999505 1062555931 /nfs/dbraw/zinc/55/59/31/1062555931.db2.gz ZNDBBECRKXVNMC-CYBMUJFWSA-N 1 0 318.442 4.418 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC001460079416 1062622673 /nfs/dbraw/zinc/62/26/73/1062622673.db2.gz MPJHVYKCUHBMOV-KBPBESRZSA-N 1 0 320.433 4.296 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001460159493 1062671334 /nfs/dbraw/zinc/67/13/34/1062671334.db2.gz GJUIXRVNPKTYSZ-JXXFODFXSA-N 1 0 324.424 4.404 20 5 DIBDRO CC(C)CC1(C)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001460198679 1062696711 /nfs/dbraw/zinc/69/67/11/1062696711.db2.gz VNEXQFXTKBANJM-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO Cc1cccc(Cl)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001460767351 1063051283 /nfs/dbraw/zinc/05/12/83/1063051283.db2.gz QWAKDXHPGLZORJ-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(Cl)c1 ZINC001461001651 1063177126 /nfs/dbraw/zinc/17/71/26/1063177126.db2.gz YFAUGIUIFSNPPS-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO O=[N+]([O-])c1c(Nc2ccc3nccn3c2)cccc1C(F)(F)F ZINC001472838262 1063274755 /nfs/dbraw/zinc/27/47/55/1063274755.db2.gz TVGYFZIICAFDBL-UHFFFAOYSA-N 1 0 322.246 4.005 20 5 DIBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC001461254213 1063367953 /nfs/dbraw/zinc/36/79/53/1063367953.db2.gz HPWFSZZWAIXPGX-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2C2CCCC2)c(F)c1 ZINC001473117514 1063418919 /nfs/dbraw/zinc/41/89/19/1063418919.db2.gz VRXPCQBCBCQQGJ-INIZCTEOSA-N 1 0 310.344 4.028 20 5 DIBDRO C/C(=C\c1ccccc1)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001461339476 1063426440 /nfs/dbraw/zinc/42/64/40/1063426440.db2.gz GPQDKDMCMWTDLI-UKTHLTGXSA-N 1 0 316.788 4.441 20 5 DIBDRO CCOc1cc(C[N@H+](CC(C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC001473125687 1063430524 /nfs/dbraw/zinc/43/05/24/1063430524.db2.gz RUKUFRVRMJBEHF-UHFFFAOYSA-N 1 0 320.433 4.394 20 5 DIBDRO CC1(C)CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001473141570 1063450487 /nfs/dbraw/zinc/45/04/87/1063450487.db2.gz SCBIRLVTZOLENJ-UHFFFAOYSA-N 1 0 316.323 4.236 20 5 DIBDRO CC[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001473169160 1063473017 /nfs/dbraw/zinc/47/30/17/1063473017.db2.gz WRMFLGAMABITIH-SNVBAGLBSA-N 1 0 304.312 4.092 20 5 DIBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC001473173110 1063477005 /nfs/dbraw/zinc/47/70/05/1063477005.db2.gz HXOUEFPZYOETIQ-LJQANCHMSA-N 1 0 324.424 4.419 20 5 DIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001473177986 1063484433 /nfs/dbraw/zinc/48/44/33/1063484433.db2.gz UICSSOVQEVAGLA-CQSZACIVSA-N 1 0 316.376 4.105 20 5 DIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001473177985 1063484501 /nfs/dbraw/zinc/48/45/01/1063484501.db2.gz UICSSOVQEVAGLA-AWEZNQCLSA-N 1 0 316.376 4.105 20 5 DIBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001461515042 1063547583 /nfs/dbraw/zinc/54/75/83/1063547583.db2.gz LDURAIGBBFCMLY-QYRJGMMTSA-N 1 0 302.418 4.414 20 5 DIBDRO OC/C=C\C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001461617510 1063614960 /nfs/dbraw/zinc/61/49/60/1063614960.db2.gz DAOIETGUOKESPU-WAYWQWQTSA-N 1 0 311.812 4.285 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc2cccnc12 ZINC001461756676 1063699667 /nfs/dbraw/zinc/69/96/67/1063699667.db2.gz WDKXXJFHLJMART-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@H](C[NH2+]Cc1cccc2cnccc21)c1ccccc1[N+](=O)[O-] ZINC001461785670 1063717045 /nfs/dbraw/zinc/71/70/45/1063717045.db2.gz CYJBCJQYIHNRGA-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO Cc1ccc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C ZINC001461864750 1063761456 /nfs/dbraw/zinc/76/14/56/1063761456.db2.gz IYHGMLGOMKWKGJ-UHFFFAOYSA-N 1 0 324.424 4.419 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(F)c1 ZINC001462031289 1063892547 /nfs/dbraw/zinc/89/25/47/1063892547.db2.gz NVTCFDUOVJVPQP-ZROIWOOFSA-N 1 0 314.360 4.269 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307479712 1065425995 /nfs/dbraw/zinc/42/59/95/1065425995.db2.gz QFBZOOPDXZYBPA-OHUAYANFSA-N 1 0 310.344 4.026 20 5 DIBDRO C[N@H+](CCCc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001307571742 1065488242 /nfs/dbraw/zinc/48/82/42/1065488242.db2.gz NYBDNAGNUMQJCA-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC001307581906 1065495326 /nfs/dbraw/zinc/49/53/26/1065495326.db2.gz DKLHHOWKPVXDOJ-CYBMUJFWSA-N 1 0 324.396 4.001 20 5 DIBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001307636539 1065532840 /nfs/dbraw/zinc/53/28/40/1065532840.db2.gz JBNYNXXXXIYDBC-KRWDZBQOSA-N 1 0 316.376 4.091 20 5 DIBDRO CCC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001307638043 1065534554 /nfs/dbraw/zinc/53/45/54/1065534554.db2.gz KPSSKVDUDUOMGC-GOSISDBHSA-N 1 0 314.385 4.105 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001307691205 1065566630 /nfs/dbraw/zinc/56/66/30/1065566630.db2.gz QYDXWOKXEWMERR-MAUKXSAKSA-N 1 0 320.433 4.168 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001307691203 1065566754 /nfs/dbraw/zinc/56/67/54/1065566754.db2.gz QYDXWOKXEWMERR-CRAIPNDOSA-N 1 0 320.433 4.168 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCCC12CCCCC2 ZINC001307927780 1065686935 /nfs/dbraw/zinc/68/69/35/1065686935.db2.gz TVBYLMVJHRKDCG-INIZCTEOSA-N 1 0 306.381 4.327 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2CC2CCC2)cc1 ZINC001307951009 1065698086 /nfs/dbraw/zinc/69/80/86/1065698086.db2.gz BXGQEBVYSAKPDI-GOSISDBHSA-N 1 0 302.418 4.182 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC(F)CC1 ZINC001307964041 1065702781 /nfs/dbraw/zinc/70/27/81/1065702781.db2.gz IMCWMEQCKXRXEI-ZBOXLXRLSA-N 1 0 314.788 4.255 20 5 DIBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc2cccnc12 ZINC001308207492 1065815904 /nfs/dbraw/zinc/81/59/04/1065815904.db2.gz ADROFVUAOWSRIX-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001308295942 1065893115 /nfs/dbraw/zinc/89/31/15/1065893115.db2.gz OZOKCZWBFTUICH-NVXWUHKLSA-N 1 0 322.474 4.181 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CC(C)C)CC1 ZINC001308328029 1065916141 /nfs/dbraw/zinc/91/61/41/1065916141.db2.gz XQSGQUZTRZWQJC-OQLLNIDSSA-N 1 0 302.418 4.414 20 5 DIBDRO CCc1cccc2cc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)oc21 ZINC001308357075 1065938196 /nfs/dbraw/zinc/93/81/96/1065938196.db2.gz NBXQUWZOPSTGNV-UHFFFAOYSA-N 1 0 324.380 4.236 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CC)CCCCC1 ZINC001308362798 1065940383 /nfs/dbraw/zinc/94/03/83/1065940383.db2.gz GJTVLVWPLYUBIB-UHFFFAOYSA-N 1 0 320.433 4.444 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001308366623 1065944013 /nfs/dbraw/zinc/94/40/13/1065944013.db2.gz OGWPTTBQFLKGPH-LIFIYDJSSA-N 1 0 302.418 4.412 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC001308467307 1066007713 /nfs/dbraw/zinc/00/77/13/1066007713.db2.gz YPNQHFOLNVHVPA-INIZCTEOSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CCC2(CC2)CC1 ZINC001308481595 1066019772 /nfs/dbraw/zinc/01/97/72/1066019772.db2.gz YLWDDVWFPKRDQH-UHFFFAOYSA-N 1 0 302.418 4.272 20 5 DIBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC001308534866 1066052320 /nfs/dbraw/zinc/05/23/20/1066052320.db2.gz KVAZJDFRFSNKCM-ZDUSSCGKSA-N 1 0 318.804 4.450 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001308536473 1066054752 /nfs/dbraw/zinc/05/47/52/1066054752.db2.gz ZAIOBFUNGYHZAQ-ZDUSSCGKSA-N 1 0 318.804 4.450 20 5 DIBDRO COC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCCCCC1 ZINC001308543316 1066059654 /nfs/dbraw/zinc/05/96/54/1066059654.db2.gz JRWDPOQWEOBLGK-UHFFFAOYSA-N 1 0 320.433 4.041 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)o2)cc1 ZINC001308548251 1066062673 /nfs/dbraw/zinc/06/26/73/1066062673.db2.gz YQZTZMQPLZLEFP-RRQGHBQHSA-N 1 0 312.369 4.133 20 5 DIBDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000903288568 1066102403 /nfs/dbraw/zinc/10/24/03/1066102403.db2.gz YPCFAVFHXROJTB-CHWSQXEVSA-N 1 0 300.358 4.021 20 5 DIBDRO C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001308596640 1066108282 /nfs/dbraw/zinc/10/82/82/1066108282.db2.gz XCQOBNKNKLJKDK-VQTJNVASSA-N 1 0 322.408 4.421 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC001308642276 1066134245 /nfs/dbraw/zinc/13/42/45/1066134245.db2.gz KJZCUKRRZJYELJ-CVEARBPZSA-N 1 0 322.836 4.349 20 5 DIBDRO CC1(C)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308691093 1066182764 /nfs/dbraw/zinc/18/27/64/1066182764.db2.gz MPYUCXCEIBXKNK-UHFFFAOYSA-N 1 0 316.323 4.236 20 5 DIBDRO CC(C)C[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001308735678 1066212195 /nfs/dbraw/zinc/21/21/95/1066212195.db2.gz COPKJJXERUFZND-NSHDSACASA-N 1 0 318.339 4.385 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001308837054 1066313249 /nfs/dbraw/zinc/31/32/49/1066313249.db2.gz YYQICLQXRPBOPF-KFKAGJAMSA-N 1 0 324.424 4.309 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC001308856667 1066335610 /nfs/dbraw/zinc/33/56/10/1066335610.db2.gz JGWLSTKQGORGDG-YZVOILCLSA-N 1 0 324.424 4.234 20 5 DIBDRO CC1(C)CC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308876445 1066356591 /nfs/dbraw/zinc/35/65/91/1066356591.db2.gz WBIZJENVVNFWSO-CZUORRHYSA-N 1 0 302.418 4.084 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCF)CC1 ZINC001308894035 1066376550 /nfs/dbraw/zinc/37/65/50/1066376550.db2.gz CAZYTJHNOMMQNE-KAMYIIQDSA-N 1 0 306.381 4.070 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCF)CC1 ZINC001308894036 1066376785 /nfs/dbraw/zinc/37/67/85/1066376785.db2.gz CAZYTJHNOMMQNE-SDNWHVSQSA-N 1 0 306.381 4.070 20 5 DIBDRO CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001308904423 1066383687 /nfs/dbraw/zinc/38/36/87/1066383687.db2.gz VIKKSTKAMHYJGS-AWEZNQCLSA-N 1 0 304.415 4.076 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000078830990 185117113 /nfs/dbraw/zinc/11/71/13/185117113.db2.gz ASDPKSQGBHWLKE-MRXNPFEDSA-N 1 0 300.358 4.305 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000182682228 335000243 /nfs/dbraw/zinc/00/02/43/335000243.db2.gz LDQSTAOGMMRGIT-OAHLLOKOSA-N 1 0 320.433 4.101 20 5 DIBDRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182772196 335001713 /nfs/dbraw/zinc/00/17/13/335001713.db2.gz SIQCBHRAQJBUHH-RDJZCZTQSA-N 1 0 320.433 4.245 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000040518058 183090201 /nfs/dbraw/zinc/09/02/01/183090201.db2.gz NFBLPWDKFFRCJH-VHSXEESVSA-N 1 0 305.403 4.080 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000061360083 184168803 /nfs/dbraw/zinc/16/88/03/184168803.db2.gz LAYKIBYXGOBANN-CQSZACIVSA-N 1 0 302.399 4.132 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000273016157 130082484 /nfs/dbraw/zinc/08/24/84/130082484.db2.gz ZTFXPLQLOSWNPE-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000273115076 130090338 /nfs/dbraw/zinc/09/03/38/130090338.db2.gz XDVNXAOMOJGOBS-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO CSCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000285720720 131196579 /nfs/dbraw/zinc/19/65/79/131196579.db2.gz QFADSKGMZBNGRW-CYBMUJFWSA-N 1 0 316.426 4.309 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000119649555 132135462 /nfs/dbraw/zinc/13/54/62/132135462.db2.gz VBSIVVHMHXQFFI-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000120865275 132147311 /nfs/dbraw/zinc/14/73/11/132147311.db2.gz CTOFXTZAOJJVKZ-QWRGUYRKSA-N 1 0 306.312 4.285 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000120785636 132151389 /nfs/dbraw/zinc/15/13/89/132151389.db2.gz YRTSIVFSZRFKJZ-IUODEOHRSA-N 1 0 300.358 4.224 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000121432434 132155604 /nfs/dbraw/zinc/15/56/04/132155604.db2.gz CHBPMNATQGZWNF-LLVKDONJSA-N 1 0 322.311 4.047 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000320519250 335070618 /nfs/dbraw/zinc/07/06/18/335070618.db2.gz OBFLEXLLGVBDLC-RBUKOAKNSA-N 1 0 310.397 4.411 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000035009633 331465602 /nfs/dbraw/zinc/46/56/02/331465602.db2.gz VSNYRFJIWKMYIG-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CCC(CC)[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000537946150 331506847 /nfs/dbraw/zinc/50/68/47/331506847.db2.gz QSYUXMPFQAIJNF-GUYCJALGSA-N 1 0 308.422 4.087 20 5 DIBDRO CCC(CC)[C@@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000537946148 331506853 /nfs/dbraw/zinc/50/68/53/331506853.db2.gz QSYUXMPFQAIJNF-CXAGYDPISA-N 1 0 308.422 4.087 20 5 DIBDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521309668 331521193 /nfs/dbraw/zinc/52/11/93/331521193.db2.gz QLDBLJZSALZQAQ-RDJZCZTQSA-N 1 0 315.417 4.033 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000537948990 331552443 /nfs/dbraw/zinc/55/24/43/331552443.db2.gz NYEAQBYAASMWTD-HNNXBMFYSA-N 1 0 312.413 4.093 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000558968092 331961586 /nfs/dbraw/zinc/96/15/86/331961586.db2.gz AATIBLVQVSBSTH-FZKCQIBNSA-N 1 0 320.433 4.148 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)c1 ZINC000128246263 332010913 /nfs/dbraw/zinc/01/09/13/332010913.db2.gz IZQRYHYONNXIDU-ZDUSSCGKSA-N 1 0 322.817 4.477 20 5 DIBDRO CC[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000409453424 332032825 /nfs/dbraw/zinc/03/28/25/332032825.db2.gz OGDCFBUHAUOUKQ-CQSZACIVSA-N 1 0 313.401 4.251 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC000518474634 332061645 /nfs/dbraw/zinc/06/16/45/332061645.db2.gz PUMJHNUAWYRQIS-CYBMUJFWSA-N 1 0 302.349 4.317 20 5 DIBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963674 332331487 /nfs/dbraw/zinc/33/14/87/332331487.db2.gz UXRUJWKWLMSRDQ-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000317892411 332542175 /nfs/dbraw/zinc/54/21/75/332542175.db2.gz JQHCJCMCYNSCEY-ZDUSSCGKSA-N 1 0 318.804 4.012 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000194920242 333317407 /nfs/dbraw/zinc/31/74/07/333317407.db2.gz IKDLGXQQBGEJSJ-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020547486 333322014 /nfs/dbraw/zinc/32/20/14/333322014.db2.gz CHDSYJYMXUTIJC-LBPRGKRZSA-N 1 0 313.829 4.171 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000062726359 333336226 /nfs/dbraw/zinc/33/62/26/333336226.db2.gz FRTSGCPRHFWAMS-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000040444245 333353300 /nfs/dbraw/zinc/35/33/00/333353300.db2.gz TYMHMFUYIBWFIY-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO COc1cccc(Cl)c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000185902492 333371704 /nfs/dbraw/zinc/37/17/04/333371704.db2.gz RJZOMDKNGPSESX-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000021516048 333423635 /nfs/dbraw/zinc/42/36/35/333423635.db2.gz NMGBSGIKBLOQCS-MRXNPFEDSA-N 1 0 304.415 4.330 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000320294998 333500981 /nfs/dbraw/zinc/50/09/81/333500981.db2.gz RMFZDJGCDYNGKG-ZWKOTPCHSA-N 1 0 310.397 4.411 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000048334960 333587253 /nfs/dbraw/zinc/58/72/53/333587253.db2.gz YKXZRJOXMSCMSO-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000430225201 334002943 /nfs/dbraw/zinc/00/29/43/334002943.db2.gz LIQAPHAXEQXTQR-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414517695 334005118 /nfs/dbraw/zinc/00/51/18/334005118.db2.gz RCGYRURTNCZJPW-DSDFTUOUSA-N 1 0 316.323 4.176 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000571656030 334075176 /nfs/dbraw/zinc/07/51/76/334075176.db2.gz YMDWLYFYAJEJTH-MJGOQNOKSA-N 1 0 308.381 4.323 20 5 DIBDRO Cc1ccc2cc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC000187640873 334266408 /nfs/dbraw/zinc/26/64/08/334266408.db2.gz UYTHOQHGIHJKLJ-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000531959455 334315318 /nfs/dbraw/zinc/31/53/18/334315318.db2.gz YXBFOGLFVRQOQP-KRWDZBQOSA-N 1 0 316.788 4.068 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSc2ccccc2)c(Cl)c1 ZINC000049963468 334359651 /nfs/dbraw/zinc/35/96/51/334359651.db2.gz KMIGERPOBBSSHM-UHFFFAOYSA-N 1 0 322.817 4.130 20 5 DIBDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000563682351 334377806 /nfs/dbraw/zinc/37/78/06/334377806.db2.gz ZBPAWEUHZPOOQQ-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000467851221 334607408 /nfs/dbraw/zinc/60/74/08/334607408.db2.gz BLEKMGDQAVXKHV-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188114447 334642403 /nfs/dbraw/zinc/64/24/03/334642403.db2.gz GKRGVZSTYJRCDY-VXGBXAGGSA-N 1 0 320.414 4.009 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CC23CC3)c2ccccc2)c1 ZINC000417330100 334709186 /nfs/dbraw/zinc/70/91/86/334709186.db2.gz AGENACRAQYGWAE-WMZOPIPTSA-N 1 0 308.381 4.074 20 5 DIBDRO COCC(C)(C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348324787 335577036 /nfs/dbraw/zinc/57/70/36/335577036.db2.gz LFSDZYPYLDYOAS-KRWDZBQOSA-N 1 0 320.433 4.015 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cs1 ZINC000520698506 336026043 /nfs/dbraw/zinc/02/60/43/336026043.db2.gz SGYMIOXKNHIOJE-HNNXBMFYSA-N 1 0 316.426 4.111 20 5 DIBDRO CSCC1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000395322097 336095681 /nfs/dbraw/zinc/09/56/81/336095681.db2.gz BKSWTULGAJPOAG-OPFPJEHXSA-N 1 0 308.447 4.167 20 5 DIBDRO CCc1nc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC000064350025 336237020 /nfs/dbraw/zinc/23/70/20/336237020.db2.gz IDHJAWBPZXXBJK-UHFFFAOYSA-N 1 0 319.430 4.024 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000532491778 336250581 /nfs/dbraw/zinc/25/05/81/336250581.db2.gz COZMWZYEXRCCAN-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CSc2ccccc21 ZINC000532500424 336252256 /nfs/dbraw/zinc/25/22/56/336252256.db2.gz XKZHSJIWULQDGX-BLLLJJGKSA-N 1 0 314.410 4.401 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000532500427 336252259 /nfs/dbraw/zinc/25/22/59/336252259.db2.gz XKZHSJIWULQDGX-WBMJQRKESA-N 1 0 314.410 4.401 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000301472583 336309007 /nfs/dbraw/zinc/30/90/07/336309007.db2.gz LAPUHVQRIHYMKD-UHFFFAOYSA-N 1 0 317.433 4.112 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000356841639 336562792 /nfs/dbraw/zinc/56/27/92/336562792.db2.gz GKOZTIVJGPDAKF-OAHLLOKOSA-N 1 0 324.384 4.102 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(C2CC2)cc1 ZINC000418115319 336821948 /nfs/dbraw/zinc/82/19/48/336821948.db2.gz ONXUQNBNGKNFRU-LBPRGKRZSA-N 1 0 314.360 4.462 20 5 DIBDRO CCO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000193432464 336896920 /nfs/dbraw/zinc/89/69/20/336896920.db2.gz PBLNRNZRBWSEJC-KBXCAEBGSA-N 1 0 314.385 4.023 20 5 DIBDRO CC[C@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377620 337188211 /nfs/dbraw/zinc/18/82/11/337188211.db2.gz DRVFXYCMOMMELA-MRXNPFEDSA-N 1 0 319.792 4.226 20 5 DIBDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000395248743 337214690 /nfs/dbraw/zinc/21/46/90/337214690.db2.gz ZBDNQCYQXMDKOB-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](c1cccs1)C1CC1 ZINC000571820819 337578208 /nfs/dbraw/zinc/57/82/08/337578208.db2.gz WTUZMRCEVVXYRK-RHSMWYFYSA-N 1 0 314.410 4.385 20 5 DIBDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320587989 337598883 /nfs/dbraw/zinc/59/88/83/337598883.db2.gz BTJZQKWOAWKYHM-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000421872777 337657457 /nfs/dbraw/zinc/65/74/57/337657457.db2.gz GYQAXCUIYFWCPL-ZIAGYGMSSA-N 1 0 320.458 4.087 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000536838188 337736482 /nfs/dbraw/zinc/73/64/82/337736482.db2.gz HSPLLWAANYHJFB-GFCCVEGCSA-N 1 0 304.415 4.112 20 5 DIBDRO CSc1cc(C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119263486 337855796 /nfs/dbraw/zinc/85/57/96/337855796.db2.gz YXRSPVQMQWOMFA-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)c1 ZINC000537012922 337863160 /nfs/dbraw/zinc/86/31/60/337863160.db2.gz KZHMGCBMXLLANG-GOSISDBHSA-N 1 0 314.360 4.017 20 5 DIBDRO COc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000119838249 337864942 /nfs/dbraw/zinc/86/49/42/337864942.db2.gz NGSXBDOPKACTTO-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1cc(C)ccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000119838115 337864994 /nfs/dbraw/zinc/86/49/94/337864994.db2.gz VJJRGWPWOUWPMC-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000120459648 337874334 /nfs/dbraw/zinc/87/43/34/337874334.db2.gz PHSDEWFQKNSTFM-QGZVFWFLSA-N 1 0 302.349 4.365 20 5 DIBDRO Cc1ccc(C[N@@H+](C)Cc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000426371651 338029210 /nfs/dbraw/zinc/02/92/10/338029210.db2.gz LVLMQVLNRWCRPM-UHFFFAOYSA-N 1 0 309.369 4.017 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)o2)cc1 ZINC000428456508 338052735 /nfs/dbraw/zinc/05/27/35/338052735.db2.gz FMVHRDJGGJSLPX-DYVFJYSZSA-N 1 0 312.369 4.229 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)o1 ZINC000428465892 338053631 /nfs/dbraw/zinc/05/36/31/338053631.db2.gz YBTGCLYUHLOWLT-BBRMVZONSA-N 1 0 312.369 4.229 20 5 DIBDRO CC(C)([NH2+]CCCCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429239422 338074356 /nfs/dbraw/zinc/07/43/56/338074356.db2.gz UIBKSOWJYBLFQU-UHFFFAOYSA-N 1 0 320.433 4.016 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000430087791 338095529 /nfs/dbraw/zinc/09/55/29/338095529.db2.gz IDSFXTZXRGXQKB-JKSUJKDBSA-N 1 0 324.371 4.195 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000430212492 338101604 /nfs/dbraw/zinc/10/16/04/338101604.db2.gz NPVRKWYYJVZMHA-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000430210416 338101607 /nfs/dbraw/zinc/10/16/07/338101607.db2.gz DDRASMDDCINDFJ-LLVKDONJSA-N 1 0 320.414 4.133 20 5 DIBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000430740234 338112998 /nfs/dbraw/zinc/11/29/98/338112998.db2.gz GBIAVZFSAXENAQ-ABAIWWIYSA-N 1 0 324.371 4.342 20 5 DIBDRO Cc1cscc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433059013 338179043 /nfs/dbraw/zinc/17/90/43/338179043.db2.gz BZZLHXLZJDZXDL-INIZCTEOSA-N 1 0 316.426 4.477 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]CC2CCSCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433116412 338182252 /nfs/dbraw/zinc/18/22/52/338182252.db2.gz KWFPUVPXCUTWID-MRXNPFEDSA-N 1 0 320.458 4.050 20 5 DIBDRO CC1(C)C[C@H]([NH2+]Cc2ccsc2)c2cc([N+](=O)[O-])ccc21 ZINC000433161158 338183451 /nfs/dbraw/zinc/18/34/51/338183451.db2.gz JGJAHNORYDCDQV-HNNXBMFYSA-N 1 0 302.399 4.169 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccsc2)c2cc([N+](=O)[O-])ccc21 ZINC000433161160 338183460 /nfs/dbraw/zinc/18/34/60/338183460.db2.gz JGJAHNORYDCDQV-OAHLLOKOSA-N 1 0 302.399 4.169 20 5 DIBDRO C[N@H+](CCC1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434840475 338226328 /nfs/dbraw/zinc/22/63/28/338226328.db2.gz BLJZWWIDCBJRNK-UHFFFAOYSA-N 1 0 317.389 4.138 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000436230120 338262492 /nfs/dbraw/zinc/26/24/92/338262492.db2.gz UXSQKXYQQVBSQD-QZTJIDSGSA-N 1 0 310.397 4.063 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000436230122 338262533 /nfs/dbraw/zinc/26/25/33/338262533.db2.gz UXSQKXYQQVBSQD-ZWKOTPCHSA-N 1 0 310.397 4.063 20 5 DIBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436285051 338265959 /nfs/dbraw/zinc/26/59/59/338265959.db2.gz CQBRDPQIFYUADZ-SRCQZFHVSA-N 1 0 314.360 4.331 20 5 DIBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000436305053 338267859 /nfs/dbraw/zinc/26/78/59/338267859.db2.gz HISQHCBWJYVUDK-BPLDGKMQSA-N 1 0 314.360 4.331 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000436305054 338267947 /nfs/dbraw/zinc/26/79/47/338267947.db2.gz HISQHCBWJYVUDK-QEJZJMRPSA-N 1 0 314.360 4.331 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000436408189 338271268 /nfs/dbraw/zinc/27/12/68/338271268.db2.gz KXICISKDJWBCGU-MSOLQXFVSA-N 1 0 310.397 4.063 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H]1CCCCS1)c1cccc([N+](=O)[O-])c1 ZINC000156353225 338354506 /nfs/dbraw/zinc/35/45/06/338354506.db2.gz FHXZZQOFIQSEIM-CVEARBPZSA-N 1 0 308.447 4.311 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000440621967 338392769 /nfs/dbraw/zinc/39/27/69/338392769.db2.gz DAXJVMPZHBMOOX-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447527621 338554086 /nfs/dbraw/zinc/55/40/86/338554086.db2.gz FNTRQHVPIYHATC-SJKOYZFVSA-N 1 0 316.426 4.255 20 5 DIBDRO COc1ccc([C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000449349575 338616324 /nfs/dbraw/zinc/61/63/24/338616324.db2.gz RDERAVTUJPBRJT-KGLIPLIRSA-N 1 0 314.385 4.058 20 5 DIBDRO Cc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451104278 338721196 /nfs/dbraw/zinc/72/11/96/338721196.db2.gz QWAKDXHPGLZORJ-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CSCCCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000167381536 339053526 /nfs/dbraw/zinc/05/35/26/339053526.db2.gz MECLKKYUONMNPC-UHFFFAOYSA-N 1 0 305.403 4.007 20 5 DIBDRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000462542539 339080944 /nfs/dbraw/zinc/08/09/44/339080944.db2.gz NDZULZWYQYCTKV-KUHUBIRLSA-N 1 0 310.397 4.398 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000464723772 339149929 /nfs/dbraw/zinc/14/99/29/339149929.db2.gz CHOMIMMWVCNZPB-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000464725333 339149996 /nfs/dbraw/zinc/14/99/96/339149996.db2.gz NGLKWUSKYBVLSH-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000464831183 339155990 /nfs/dbraw/zinc/15/59/90/339155990.db2.gz JYTJFXXMTCYONA-DYVFJYSZSA-N 1 0 314.385 4.469 20 5 DIBDRO CCC[C@@]1(C)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000464833438 339156296 /nfs/dbraw/zinc/15/62/96/339156296.db2.gz DTQFXFCIOHURTA-KRWDZBQOSA-N 1 0 306.406 4.006 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000467209579 339228336 /nfs/dbraw/zinc/22/83/36/339228336.db2.gz XPCFSGZUNYIVHL-YOEHRIQHSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(c2ccccc2)C1 ZINC000467443595 339239063 /nfs/dbraw/zinc/23/90/63/339239063.db2.gz CNQZGFATHXXPFK-VNCLNFNDSA-N 1 0 324.424 4.452 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000467838009 339247210 /nfs/dbraw/zinc/24/72/10/339247210.db2.gz DKSGGUCDEULZLR-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO CSc1ccc(F)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467859086 339247926 /nfs/dbraw/zinc/24/79/26/339247926.db2.gz ONYYGUAPQQJGNK-NSHDSACASA-N 1 0 320.389 4.307 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000467969937 339250269 /nfs/dbraw/zinc/25/02/69/339250269.db2.gz OAXBCGZSMCBNRY-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1sccc1C ZINC000468621502 339267267 /nfs/dbraw/zinc/26/72/67/339267267.db2.gz REMGYUVAPAYVIU-RAXLEYEMSA-N 1 0 316.426 4.200 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000468642836 339267768 /nfs/dbraw/zinc/26/77/68/339267768.db2.gz UKCJUWXPZGNPLP-GHXNOFRVSA-N 1 0 318.323 4.066 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1sccc1C ZINC000468644216 339267947 /nfs/dbraw/zinc/26/79/47/339267947.db2.gz YWCAMGCHRRNZGM-XYOKQWHBSA-N 1 0 302.399 4.158 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1Cc2ccccc2C1 ZINC000468655667 339268252 /nfs/dbraw/zinc/26/82/52/339268252.db2.gz NJQRKYIYEDGRFL-DHDCSXOGSA-N 1 0 322.408 4.003 20 5 DIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000469774209 339298757 /nfs/dbraw/zinc/29/87/57/339298757.db2.gz DJRDLMSQBOBPDI-APHBMKBZSA-N 1 0 308.447 4.310 20 5 DIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000469794232 339300516 /nfs/dbraw/zinc/30/05/16/339300516.db2.gz OHTVLQQDILGETK-DUVNUKRYSA-N 1 0 308.447 4.310 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000469810410 339301596 /nfs/dbraw/zinc/30/15/96/339301596.db2.gz XCIYZEUOLVIYQL-CHWSQXEVSA-N 1 0 306.406 4.223 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000470197765 339313859 /nfs/dbraw/zinc/31/38/59/339313859.db2.gz KZLPAORCDGYCLC-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO CC(C)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000479397582 339533112 /nfs/dbraw/zinc/53/31/12/339533112.db2.gz XIVQMYTWHNDBEK-UHFFFAOYSA-N 1 0 302.349 4.147 20 5 DIBDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480731494 339585002 /nfs/dbraw/zinc/58/50/02/339585002.db2.gz CEGQCJCKHGVDRZ-ZDUSSCGKSA-N 1 0 314.360 4.116 20 5 DIBDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480731491 339585058 /nfs/dbraw/zinc/58/50/58/339585058.db2.gz CEGQCJCKHGVDRZ-CYBMUJFWSA-N 1 0 314.360 4.116 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000481311103 339600782 /nfs/dbraw/zinc/60/07/82/339600782.db2.gz KLVCZQGPEVIOEM-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO CCC[C@H]([NH2+][C@H](CC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000483713832 339672450 /nfs/dbraw/zinc/67/24/50/339672450.db2.gz SSXWNLVQVNZEME-MSOLQXFVSA-N 1 0 320.433 4.231 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000483842933 339675901 /nfs/dbraw/zinc/67/59/01/339675901.db2.gz RYRLVCAZXHVZDQ-YOEHRIQHSA-N 1 0 308.422 4.005 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000485999427 339718252 /nfs/dbraw/zinc/71/82/52/339718252.db2.gz CQKGUGAHJSWFQR-UHFFFAOYSA-N 1 0 316.426 4.078 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCCCC2)cc(C(F)(F)F)c1 ZINC000487200940 339746132 /nfs/dbraw/zinc/74/61/32/339746132.db2.gz QBGFYQATXYIEAT-UHFFFAOYSA-N 1 0 302.296 4.036 20 5 DIBDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000492781983 339908737 /nfs/dbraw/zinc/90/87/37/339908737.db2.gz FKFQMYGPZZDKGJ-CYBMUJFWSA-N 1 0 302.349 4.017 20 5 DIBDRO C[C@@H]1C[C@@]1([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000500394590 340056497 /nfs/dbraw/zinc/05/64/97/340056497.db2.gz FGESOMQHNLZSJO-PXAZEXFGSA-N 1 0 316.788 4.273 20 5 DIBDRO C[C@H]1C[C@]1([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503406559 340127597 /nfs/dbraw/zinc/12/75/97/340127597.db2.gz MGQWXPJFHDGELI-YVEFUNNKSA-N 1 0 316.788 4.273 20 5 DIBDRO Cc1cccc([C@@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000505922609 340181726 /nfs/dbraw/zinc/18/17/26/340181726.db2.gz JNGXYLMNYYDCSP-KRWDZBQOSA-N 1 0 314.360 4.379 20 5 DIBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000506009817 340183138 /nfs/dbraw/zinc/18/31/38/340183138.db2.gz MLFIHFXHSXSEBB-YVMONPNESA-N 1 0 302.399 4.192 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000506267278 340190522 /nfs/dbraw/zinc/19/05/22/340190522.db2.gz GXRDUWLWYBJCDT-QKIXSCASSA-N 1 0 308.381 4.445 20 5 DIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000506296567 340191494 /nfs/dbraw/zinc/19/14/94/340191494.db2.gz ALQUHKFVRXHSGG-UHFFFAOYSA-N 1 0 300.358 4.229 20 5 DIBDRO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000506707025 340199853 /nfs/dbraw/zinc/19/98/53/340199853.db2.gz NGXNGKDPLVZMHF-CYBMUJFWSA-N 1 0 302.349 4.235 20 5 DIBDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000506845138 340202708 /nfs/dbraw/zinc/20/27/08/340202708.db2.gz BHGFFGVYGKADFX-UHFFFAOYSA-N 1 0 302.349 4.145 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3cc[nH]c32)C2CC2)c1 ZINC000507167243 340210510 /nfs/dbraw/zinc/21/05/10/340210510.db2.gz KJSOZSNFFJHUCQ-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000507197959 340212680 /nfs/dbraw/zinc/21/26/80/340212680.db2.gz SXDOFWYDNOKTLQ-RDJZCZTQSA-N 1 0 310.397 4.454 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)c1cccs1 ZINC000507432634 340219249 /nfs/dbraw/zinc/21/92/49/340219249.db2.gz IWDBVWKNWJFMIZ-LBPRGKRZSA-N 1 0 320.414 4.248 20 5 DIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CC1CC1 ZINC000510447455 340299819 /nfs/dbraw/zinc/29/98/19/340299819.db2.gz WVFLCXKSXGWCSB-UHFFFAOYSA-N 1 0 320.776 4.350 20 5 DIBDRO COCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000510957960 340316176 /nfs/dbraw/zinc/31/61/76/340316176.db2.gz KAOOFMRXNPVUKL-BBRMVZONSA-N 1 0 308.422 4.005 20 5 DIBDRO COCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000510975875 340316714 /nfs/dbraw/zinc/31/67/14/340316714.db2.gz LBCDORQOEJLOQY-CJNGLKHVSA-N 1 0 308.422 4.005 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000512159067 340350255 /nfs/dbraw/zinc/35/02/55/340350255.db2.gz IBBPZDYRRUGDJP-KRWDZBQOSA-N 1 0 304.365 4.056 20 5 DIBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513106947 340393624 /nfs/dbraw/zinc/39/36/24/340393624.db2.gz SFDPJMIIPWZCKE-NHYWBVRUSA-N 1 0 302.399 4.211 20 5 DIBDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513106948 340393681 /nfs/dbraw/zinc/39/36/81/340393681.db2.gz SFDPJMIIPWZCKE-XHDPSFHLSA-N 1 0 302.399 4.211 20 5 DIBDRO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513821656 340426630 /nfs/dbraw/zinc/42/66/30/340426630.db2.gz MYEOBIBIZVPMGP-KMFMINBZSA-N 1 0 302.418 4.084 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2sccc2Cl)cc1[N+](=O)[O-] ZINC000193139576 340573070 /nfs/dbraw/zinc/57/30/70/340573070.db2.gz YQYBBYKMPZPWCD-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO CC1(C)CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000236749526 340664613 /nfs/dbraw/zinc/66/46/13/340664613.db2.gz CICCFMYLBGPJPK-SFHVURJKSA-N 1 0 310.397 4.497 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000236920206 340666432 /nfs/dbraw/zinc/66/64/32/340666432.db2.gz NUVCXJIJOGUQCE-KRWDZBQOSA-N 1 0 302.349 4.017 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000237813556 340674053 /nfs/dbraw/zinc/67/40/53/340674053.db2.gz CAFKOVZPAOBJBE-QGZVFWFLSA-N 1 0 316.788 4.415 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C2(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000538555349 340833014 /nfs/dbraw/zinc/83/30/14/340833014.db2.gz ZWHDYIZSNBWEBN-CYBMUJFWSA-N 1 0 314.360 4.382 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1[N+](=O)[O-] ZINC000539059207 340869015 /nfs/dbraw/zinc/86/90/15/340869015.db2.gz IMHWRIMVAAOJEN-DOFJYSBOSA-N 1 0 322.408 4.140 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539083475 340871604 /nfs/dbraw/zinc/87/16/04/340871604.db2.gz NHCKFJWXVDDJDC-KDOFPFPSSA-N 1 0 314.385 4.103 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000540177986 340920803 /nfs/dbraw/zinc/92/08/03/340920803.db2.gz YLGOOIGBHGVPIL-NJSLBKSFSA-N 1 0 310.397 4.487 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000540425342 340931001 /nfs/dbraw/zinc/93/10/01/340931001.db2.gz WMNHTUIEPNQJQE-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000540610034 340938710 /nfs/dbraw/zinc/93/87/10/340938710.db2.gz JMGXXMLKUKZHRH-AAEUAGOBSA-N 1 0 316.323 4.053 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000541564843 340974819 /nfs/dbraw/zinc/97/48/19/340974819.db2.gz FONOZHVRXRWYBT-LJQANCHMSA-N 1 0 322.364 4.110 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000071307107 341028597 /nfs/dbraw/zinc/02/85/97/341028597.db2.gz OIRGTBQJWBSHPF-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO C[C@H](Cc1ccsc1)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000543058575 341029716 /nfs/dbraw/zinc/02/97/16/341029716.db2.gz VGWXJUKOMXFUPU-CYBMUJFWSA-N 1 0 316.426 4.252 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCc1ccsc1)C1CC1 ZINC000543060016 341029852 /nfs/dbraw/zinc/02/98/52/341029852.db2.gz QWUZJWWSXKTACD-UHFFFAOYSA-N 1 0 316.426 4.254 20 5 DIBDRO C[C@H](Cc1ccsc1)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543986282 341065054 /nfs/dbraw/zinc/06/50/54/341065054.db2.gz OZRZLAYOXUCXAZ-CYBMUJFWSA-N 1 0 316.426 4.252 20 5 DIBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000544574491 341086589 /nfs/dbraw/zinc/08/65/89/341086589.db2.gz WOFRNMJWKIJHGM-HNAYVOBHSA-N 1 0 324.424 4.309 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000544833562 341095589 /nfs/dbraw/zinc/09/55/89/341095589.db2.gz WXVDKSMQDJQXFM-WCQYABFASA-N 1 0 304.312 4.367 20 5 DIBDRO CC(C)([NH2+]C/C=C\c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000545163808 341110783 /nfs/dbraw/zinc/11/07/83/341110783.db2.gz UDMRRFPEQLZCCC-ARJAWSKDSA-N 1 0 314.360 4.272 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000546165538 341155420 /nfs/dbraw/zinc/15/54/20/341155420.db2.gz CNYJMPMMAVBFST-PWSUYJOCSA-N 1 0 304.312 4.285 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000546165536 341155505 /nfs/dbraw/zinc/15/55/05/341155505.db2.gz CNYJMPMMAVBFST-CMPLNLGQSA-N 1 0 304.312 4.285 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000546580863 341173362 /nfs/dbraw/zinc/17/33/62/341173362.db2.gz WEPFYRJYFPTXGN-LJQANCHMSA-N 1 0 310.397 4.245 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000546871461 341184298 /nfs/dbraw/zinc/18/42/98/341184298.db2.gz KFGBDYDOIBQHQB-YPMHNXCESA-N 1 0 318.339 4.237 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000546873235 341184602 /nfs/dbraw/zinc/18/46/02/341184602.db2.gz QYKGDHJEZNCXBA-WDEREUQCSA-N 1 0 304.312 4.285 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000546873233 341184677 /nfs/dbraw/zinc/18/46/77/341184677.db2.gz QYKGDHJEZNCXBA-MNOVXSKESA-N 1 0 304.312 4.285 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000564314071 341198233 /nfs/dbraw/zinc/19/82/33/341198233.db2.gz AYRZUAJKORMCCZ-QZEGLACASA-N 1 0 323.396 4.230 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000547830696 341236082 /nfs/dbraw/zinc/23/60/82/341236082.db2.gz VPJBSBQQQLZVOJ-OAHLLOKOSA-N 1 0 310.397 4.329 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000078991705 341251635 /nfs/dbraw/zinc/25/16/35/341251635.db2.gz HIRULDBPKOKOBP-VXGBXAGGSA-N 1 0 318.348 4.154 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000548301701 341254919 /nfs/dbraw/zinc/25/49/19/341254919.db2.gz YMBXGAKWWYOZIF-CYBMUJFWSA-N 1 0 304.415 4.109 20 5 DIBDRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000080241197 341271477 /nfs/dbraw/zinc/27/14/77/341271477.db2.gz KIENUCXQJRDZOB-YPMHNXCESA-N 1 0 304.415 4.247 20 5 DIBDRO CC(C)([NH2+]Cc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000080347346 341273110 /nfs/dbraw/zinc/27/31/10/341273110.db2.gz JTKXLJZXFSDOAR-UHFFFAOYSA-N 1 0 310.353 4.366 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000549235829 341289380 /nfs/dbraw/zinc/28/93/80/341289380.db2.gz OXKPKYXBHGLGMA-XRGAULLZSA-N 1 0 320.433 4.148 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCCC3)o2)c(Cl)c1 ZINC000549557622 341297639 /nfs/dbraw/zinc/29/76/39/341297639.db2.gz JHIJNLKSGHGRHY-UHFFFAOYSA-N 1 0 306.749 4.104 20 5 DIBDRO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1CC1 ZINC000549898242 341306172 /nfs/dbraw/zinc/30/61/72/341306172.db2.gz BFAGDOWWGXYYAJ-UHFFFAOYSA-N 1 0 316.323 4.234 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000550277072 341314110 /nfs/dbraw/zinc/31/41/10/341314110.db2.gz SSSWUVQPHRZSAK-ZIDRGXKLSA-N 1 0 308.381 4.001 20 5 DIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000246028582 341322476 /nfs/dbraw/zinc/32/24/76/341322476.db2.gz VUAXVMHUDUQKGX-QBIMZIAESA-N 1 0 320.433 4.229 20 5 DIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000246032478 341322547 /nfs/dbraw/zinc/32/25/47/341322547.db2.gz WDXMAYWFNPZESL-SKDZVZGDSA-N 1 0 320.433 4.229 20 5 DIBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000552055936 341365651 /nfs/dbraw/zinc/36/56/51/341365651.db2.gz JXAQTIIMHZUCTN-KGLIPLIRSA-N 1 0 316.323 4.138 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000552580312 341399703 /nfs/dbraw/zinc/39/97/03/341399703.db2.gz ZOULSIOWPZOKSD-FZKQIMNGSA-N 1 0 311.385 4.100 20 5 DIBDRO C[C@H](F)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000555616113 341487286 /nfs/dbraw/zinc/48/72/86/341487286.db2.gz NWFKSFKMTDWBLZ-NSHDSACASA-N 1 0 308.378 4.161 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1Cl ZINC000576958431 341872077 /nfs/dbraw/zinc/87/20/77/341872077.db2.gz ZVJIBRHBYNDSTK-OAHLLOKOSA-N 1 0 302.761 4.025 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CSc2ccccc21 ZINC000577191824 341895785 /nfs/dbraw/zinc/89/57/85/341895785.db2.gz XRPUHBRGNIKOLB-HUUCEWRRSA-N 1 0 312.394 4.019 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000178087938 341944150 /nfs/dbraw/zinc/94/41/50/341944150.db2.gz MMBOMOHKWLWYLZ-SJCJKPOMSA-N 1 0 314.360 4.380 20 5 DIBDRO CCC1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000451276280 517545023 /nfs/dbraw/zinc/54/50/23/517545023.db2.gz OGZRYHGOGIHIPX-UHFFFAOYSA-N 1 0 315.373 4.062 20 5 DIBDRO CC(C)c1nc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000157011142 519861440 /nfs/dbraw/zinc/86/14/40/519861440.db2.gz FNOFVKCDHHHGCY-LBPRGKRZSA-N 1 0 319.430 4.068 20 5 DIBDRO COCC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000338019009 521977091 /nfs/dbraw/zinc/97/70/91/521977091.db2.gz NWPGUXDORFTNQA-IRXDYDNUSA-N 1 0 320.433 4.013 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127090796 522951357 /nfs/dbraw/zinc/95/13/57/522951357.db2.gz FLZMVNKGJFOCFH-DOTOQJQBSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000179991681 524387464 /nfs/dbraw/zinc/38/74/64/524387464.db2.gz HIWDLAVLFBKSPB-CQSZACIVSA-N 1 0 313.401 4.138 20 5 DIBDRO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000179991697 524388330 /nfs/dbraw/zinc/38/83/30/524388330.db2.gz KUTVCNUBJLQHAC-AWEZNQCLSA-N 1 0 313.401 4.138 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1[N+](=O)[O-] ZINC000266442098 525630614 /nfs/dbraw/zinc/63/06/14/525630614.db2.gz GZUZGDLXDKARCR-ZBEGNZNMSA-N 1 0 300.333 4.072 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCCC3)o2)cc1 ZINC000608836755 1035673955 /nfs/dbraw/zinc/67/39/55/1035673955.db2.gz KNMOIQQZWCMSCQ-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608836615 1035750094 /nfs/dbraw/zinc/75/00/94/1035750094.db2.gz YOYPHCZQVIUQBU-HNNXBMFYSA-N 1 0 302.399 4.211 20 5 DIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000610215758 1035752689 /nfs/dbraw/zinc/75/26/89/1035752689.db2.gz QEHJVDPMAYDTPL-OAHLLOKOSA-N 1 0 304.415 4.109 20 5 DIBDRO Cc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1[N+](=O)[O-] ZINC001167083166 1035863774 /nfs/dbraw/zinc/86/37/74/1035863774.db2.gz AXZKCGBFOQICMR-UHFFFAOYSA-N 1 0 314.360 4.207 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000070788203 1036267927 /nfs/dbraw/zinc/26/79/27/1036267927.db2.gz MPESSTNWZWFISU-QWRGUYRKSA-N 1 0 306.312 4.285 20 5 DIBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001167227520 1036293321 /nfs/dbraw/zinc/29/33/21/1036293321.db2.gz RTDJELCWQUHBTF-UKRRQHHQSA-N 1 0 306.406 4.004 20 5 DIBDRO CC(C)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001167233801 1036298616 /nfs/dbraw/zinc/29/86/16/1036298616.db2.gz QAQUOSADTAEVBA-UHFFFAOYSA-N 1 0 320.433 4.264 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000610271215 1036396319 /nfs/dbraw/zinc/39/63/19/1036396319.db2.gz NIOHUPWAWBXHFO-UHFFFAOYSA-N 1 0 323.396 4.189 20 5 DIBDRO CCCCC1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001648903784 1036681721 /nfs/dbraw/zinc/68/17/21/1036681721.db2.gz YKSMOMXLGPWZIT-UHFFFAOYSA-N 1 0 320.433 4.442 20 5 DIBDRO Cc1c2ccccc2oc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579494218 1037003042 /nfs/dbraw/zinc/00/30/42/1037003042.db2.gz HAJWPPKRQAUQEO-MRXNPFEDSA-N 1 0 322.364 4.427 20 5 DIBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255677318 1037240570 /nfs/dbraw/zinc/24/05/70/1037240570.db2.gz UWGSTIYXRNIHQY-DEBLGDTFSA-N 1 0 312.369 4.007 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000050443730 1037271194 /nfs/dbraw/zinc/27/11/94/1037271194.db2.gz NUHLYZVIVVAYRO-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC001167453042 1037515969 /nfs/dbraw/zinc/51/59/69/1037515969.db2.gz HWRZEOIMAORGJZ-MRXNPFEDSA-N 1 0 320.433 4.394 20 5 DIBDRO CC(C)SCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000581328678 1037534891 /nfs/dbraw/zinc/53/48/91/1037534891.db2.gz PNCRBXKTLOKUPY-HNNXBMFYSA-N 1 0 308.447 4.048 20 5 DIBDRO C[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000320118949 1037671671 /nfs/dbraw/zinc/67/16/71/1037671671.db2.gz NLEYZCYRYGVXAJ-CYBMUJFWSA-N 1 0 302.349 4.017 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000834885108 1037707872 /nfs/dbraw/zinc/70/78/72/1037707872.db2.gz SZCPMPNJKNOFAV-ZWNOBZJWSA-N 1 0 317.216 4.138 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000610511675 1037768895 /nfs/dbraw/zinc/76/88/95/1037768895.db2.gz YIAQSHBVHWUJKC-AAEUAGOBSA-N 1 0 316.323 4.053 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000093632837 1037878031 /nfs/dbraw/zinc/87/80/31/1037878031.db2.gz UUDVLJNSGKCJET-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000761250771 1037998520 /nfs/dbraw/zinc/99/85/20/1037998520.db2.gz NAJSIQJJCXUNSR-MRXNPFEDSA-N 1 0 316.788 4.368 20 5 DIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000175989219 1038147935 /nfs/dbraw/zinc/14/79/35/1038147935.db2.gz NVGVVGWPYRGFMI-UHFFFAOYSA-N 1 0 320.339 4.206 20 5 DIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](C3CC3)C3CCCCC3)nc2c1 ZINC000610581132 1038200736 /nfs/dbraw/zinc/20/07/36/1038200736.db2.gz PDIFEGKBQUSYEM-UHFFFAOYSA-N 1 0 315.373 4.033 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000599035789 1038224965 /nfs/dbraw/zinc/22/49/65/1038224965.db2.gz NTKLIBPKTUJNCH-HNNXBMFYSA-N 1 0 320.751 4.164 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1[N+](=O)[O-] ZINC000276803547 1038224955 /nfs/dbraw/zinc/22/49/55/1038224955.db2.gz MLQBFYZWGPCWSX-WBMJQRKESA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000603497577 1038226819 /nfs/dbraw/zinc/22/68/19/1038226819.db2.gz DKKLCVVKXRAGQM-GFCCVEGCSA-N 1 0 304.777 4.441 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599069741 1038232688 /nfs/dbraw/zinc/23/26/88/1038232688.db2.gz VIGOZDDYDFDIID-VQIMIIECSA-N 1 0 323.396 4.108 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cccc3ccccc32)c1 ZINC000603633201 1038257695 /nfs/dbraw/zinc/25/76/95/1038257695.db2.gz NVBSZWRFLZPMSS-UHFFFAOYSA-N 1 0 306.365 4.080 20 5 DIBDRO Cc1ccc(C[NH2+]CCc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000603633190 1038258781 /nfs/dbraw/zinc/25/87/81/1038258781.db2.gz LKCZNMXZSUIJPA-UHFFFAOYSA-N 1 0 320.392 4.389 20 5 DIBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000603856611 1038302786 /nfs/dbraw/zinc/30/27/86/1038302786.db2.gz LMMCCKMHVVWTKB-GFCCVEGCSA-N 1 0 304.777 4.441 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603839956 1038304893 /nfs/dbraw/zinc/30/48/93/1038304893.db2.gz IRDAYFSFXUVFNH-GOSISDBHSA-N 1 0 314.360 4.379 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000603868540 1038309727 /nfs/dbraw/zinc/30/97/27/1038309727.db2.gz UCWWQRZTSWFXDX-QGZVFWFLSA-N 1 0 300.333 4.071 20 5 DIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000603925914 1038324440 /nfs/dbraw/zinc/32/44/40/1038324440.db2.gz PXAIGDZVPIMTKT-UHFFFAOYSA-N 1 0 302.349 4.146 20 5 DIBDRO C[N@H+](CCCCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000603934152 1038329986 /nfs/dbraw/zinc/32/99/86/1038329986.db2.gz DOMHTMFBOUNTIW-UHFFFAOYSA-N 1 0 304.415 4.111 20 5 DIBDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000604492888 1038420010 /nfs/dbraw/zinc/42/00/10/1038420010.db2.gz QNHGMJHHGPRMGY-UHFFFAOYSA-N 1 0 314.385 4.016 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1 ZINC000342108726 1038434397 /nfs/dbraw/zinc/43/43/97/1038434397.db2.gz SMRUQFDMAVMDLY-CYBMUJFWSA-N 1 0 323.352 4.101 20 5 DIBDRO COCC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342288094 1038518371 /nfs/dbraw/zinc/51/83/71/1038518371.db2.gz YQDKIXZYIZPUHR-PBHICJAKSA-N 1 0 314.385 4.023 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000479386935 1038706509 /nfs/dbraw/zinc/70/65/09/1038706509.db2.gz IBLSRSVPJSHVJB-QGZVFWFLSA-N 1 0 320.339 4.360 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC=CCC3)o2)cc1 ZINC000608836614 1038929672 /nfs/dbraw/zinc/92/96/72/1038929672.db2.gz YMASYWMHENHZQN-CQSZACIVSA-N 1 0 312.369 4.301 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608836693 1038930186 /nfs/dbraw/zinc/93/01/86/1038930186.db2.gz FPSGVYYSQBTJQB-CHWSQXEVSA-N 1 0 302.374 4.379 20 5 DIBDRO Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178703129 1039026632 /nfs/dbraw/zinc/02/66/32/1039026632.db2.gz VFSKHZFIIGUQRD-RHSMWYFYSA-N 1 0 313.401 4.346 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000152702430 1039119528 /nfs/dbraw/zinc/11/95/28/1039119528.db2.gz KTFSKMVHQWBZLV-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000535990173 1039269484 /nfs/dbraw/zinc/26/94/84/1039269484.db2.gz SMHAYNNXSATAMP-UHFFFAOYSA-N 1 0 322.352 4.048 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C2(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000539657058 1039314093 /nfs/dbraw/zinc/31/40/93/1039314093.db2.gz RIJFPCXHUBTTEB-ZDUSSCGKSA-N 1 0 314.360 4.382 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC34CCC4)s2)cc1 ZINC000539838440 1039354720 /nfs/dbraw/zinc/35/47/20/1039354720.db2.gz QMFONLZPVPZVJD-UHFFFAOYSA-N 1 0 314.410 4.452 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443312256 1039466140 /nfs/dbraw/zinc/46/61/40/1039466140.db2.gz NXADUGUXBVLMTE-CQSZACIVSA-N 1 0 318.417 4.079 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540314699 1039475504 /nfs/dbraw/zinc/47/55/04/1039475504.db2.gz VCCLSYYWVNIWCZ-KBPBESRZSA-N 1 0 313.401 4.272 20 5 DIBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000540557108 1039517752 /nfs/dbraw/zinc/51/77/52/1039517752.db2.gz CJDQROHSFWHBNO-COVNITIESA-N 1 0 312.369 4.114 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000248132718 1039553333 /nfs/dbraw/zinc/55/33/33/1039553333.db2.gz ORMBLUJNYISHEM-MGPQQGTHSA-N 1 0 308.447 4.228 20 5 DIBDRO CSCC1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000584183015 1039630625 /nfs/dbraw/zinc/63/06/25/1039630625.db2.gz SFTSTHQGKSTOFG-ZUEPYMLJSA-N 1 0 320.458 4.094 20 5 DIBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000573161646 1039650949 /nfs/dbraw/zinc/65/09/49/1039650949.db2.gz BURLABPZSCQMDH-MRXNPFEDSA-N 1 0 300.358 4.133 20 5 DIBDRO CCCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000541593008 1039711295 /nfs/dbraw/zinc/71/12/95/1039711295.db2.gz LOQBCTYHBREJBB-AWEZNQCLSA-N 1 0 317.389 4.185 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000089552416 1039786492 /nfs/dbraw/zinc/78/64/92/1039786492.db2.gz YNMYTORDCVGYFW-YVEFUNNKSA-N 1 0 314.360 4.380 20 5 DIBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000491906414 1039890971 /nfs/dbraw/zinc/89/09/71/1039890971.db2.gz BDBITVGTGXMZSK-DEYYWGMASA-N 1 0 314.385 4.022 20 5 DIBDRO CCc1cccc(Cl)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480444715 1039938272 /nfs/dbraw/zinc/93/82/72/1039938272.db2.gz NEMAWCZYUOMJJN-UHFFFAOYSA-N 1 0 318.804 4.409 20 5 DIBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000492371713 1039957329 /nfs/dbraw/zinc/95/73/29/1039957329.db2.gz ABQBJJODFNDOIN-VQHVLOKHSA-N 1 0 314.360 4.272 20 5 DIBDRO CCOCCC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000090456906 1039993683 /nfs/dbraw/zinc/99/36/83/1039993683.db2.gz RGSZOHFOVPIZKP-OAHLLOKOSA-N 1 0 320.433 4.151 20 5 DIBDRO CS[C@@H]1CCCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000492936017 1040041393 /nfs/dbraw/zinc/04/13/93/1040041393.db2.gz JRLVGEVJDQUTIS-UKRRQHHQSA-N 1 0 308.447 4.182 20 5 DIBDRO CS[C@H]1CCCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000492936016 1040042542 /nfs/dbraw/zinc/04/25/42/1040042542.db2.gz JRLVGEVJDQUTIS-HIFRSBDPSA-N 1 0 308.447 4.182 20 5 DIBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614187242 1040513965 /nfs/dbraw/zinc/51/39/65/1040513965.db2.gz QSNKNPFHHZETHG-JSGCOSHPSA-N 1 0 317.389 4.185 20 5 DIBDRO CC[C@H](c1ccncc1)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179705079 1040524071 /nfs/dbraw/zinc/52/40/71/1040524071.db2.gz NCEJFIURFRXZEV-OAHLLOKOSA-N 1 0 319.792 4.226 20 5 DIBDRO COCC(C)(C)CCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000517053625 1040616198 /nfs/dbraw/zinc/61/61/98/1040616198.db2.gz PCAPMEVVPQJTDS-UHFFFAOYSA-N 1 0 322.449 4.261 20 5 DIBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000236692165 1040640317 /nfs/dbraw/zinc/64/03/17/1040640317.db2.gz HVMWQMLGGMMLQR-SOFGYWHQSA-N 1 0 314.360 4.272 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H](NCc2ccco2)c2ccccc2)c1 ZINC000179970376 1040657820 /nfs/dbraw/zinc/65/78/20/1040657820.db2.gz YFDXRFBKNJBNMM-GOSISDBHSA-N 1 0 308.337 4.067 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000172831451 1040857524 /nfs/dbraw/zinc/85/75/24/1040857524.db2.gz OVYWJCCNEVHARN-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)c1cccnc1 ZINC000809765872 1041251548 /nfs/dbraw/zinc/25/15/48/1041251548.db2.gz RGXRSFLXMBGLQY-GFCCVEGCSA-N 1 0 319.792 4.226 20 5 DIBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987286 1041289596 /nfs/dbraw/zinc/28/95/96/1041289596.db2.gz UMRMTYNVEFTRBS-UFBFGSQYSA-N 1 0 303.189 4.180 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000120166784 1041358803 /nfs/dbraw/zinc/35/88/03/1041358803.db2.gz VGVCKXGHINLUTK-KRWDZBQOSA-N 1 0 311.385 4.107 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)cc1[N+](=O)[O-] ZINC000290302497 1041433362 /nfs/dbraw/zinc/43/33/62/1041433362.db2.gz IAHLCSNMQZYCRR-AWEZNQCLSA-N 1 0 314.385 4.076 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000053148117 1041443430 /nfs/dbraw/zinc/44/34/30/1041443430.db2.gz CSLHWFNJWKGLSE-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000811472023 1041527884 /nfs/dbraw/zinc/52/78/84/1041527884.db2.gz RVIJKWJHSPTITC-UHFFFAOYSA-N 1 0 317.197 4.253 20 5 DIBDRO O=[N+]([O-])c1cc(CNc2cc3c(c[nH+]2)CCCC3)ccc1Cl ZINC000812345791 1041617112 /nfs/dbraw/zinc/61/71/12/1041617112.db2.gz OSYMHGHUKUGVQW-UHFFFAOYSA-N 1 0 317.776 4.134 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccs1)CCCC2 ZINC000417328374 1041656681 /nfs/dbraw/zinc/65/66/81/1041656681.db2.gz SMAKZIJBXBHYDW-MRXNPFEDSA-N 1 0 302.399 4.214 20 5 DIBDRO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015037421 1041751408 /nfs/dbraw/zinc/75/14/08/1041751408.db2.gz QJRGMVMUCDPYDY-HNNXBMFYSA-N 1 0 302.399 4.166 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000217198340 1041869198 /nfs/dbraw/zinc/86/91/98/1041869198.db2.gz SMJHFCDGPWUCBE-KRWDZBQOSA-N 1 0 304.365 4.056 20 5 DIBDRO c1cnn(CCC[NH2+]Cc2c3ccccc3cc3ccccc32)c1 ZINC000236719303 1041915732 /nfs/dbraw/zinc/91/57/32/1041915732.db2.gz KALIJUPDMZXASI-UHFFFAOYSA-N 1 0 315.420 4.369 20 5 DIBDRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236900377 1042087863 /nfs/dbraw/zinc/08/78/63/1042087863.db2.gz CIOUHRLHGTUONQ-SNVBAGLBSA-N 1 0 308.765 4.396 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000396878804 1042148302 /nfs/dbraw/zinc/14/83/02/1042148302.db2.gz GOZGIHYJFOIURI-KOLCDFICSA-N 1 0 304.312 4.142 20 5 DIBDRO [NH3+]Cc1ccccc1Nc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001159734873 1042173224 /nfs/dbraw/zinc/17/32/24/1042173224.db2.gz HBEXMKXHWZGHTH-UHFFFAOYSA-N 1 0 312.156 4.104 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CC(c2ccccc2)C1 ZINC000105492469 1042175804 /nfs/dbraw/zinc/17/58/04/1042175804.db2.gz BDDOLRZMAOHOIL-UXBLZVDNSA-N 1 0 308.381 4.144 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001171017865 1042326731 /nfs/dbraw/zinc/32/67/31/1042326731.db2.gz JLGJSVKHCHHYLS-WOJBJXKFSA-N 1 0 324.424 4.405 20 5 DIBDRO CC[C@H](CCO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000236947646 1042421516 /nfs/dbraw/zinc/42/15/16/1042421516.db2.gz QCOGISTXFDYLPJ-MRXNPFEDSA-N 1 0 307.437 4.491 20 5 DIBDRO CC(C)([NH2+]CCCCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000292088235 1042423889 /nfs/dbraw/zinc/42/38/89/1042423889.db2.gz GKKPHWZZTPMCLZ-UHFFFAOYSA-N 1 0 304.312 4.152 20 5 DIBDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000433239094 1042461299 /nfs/dbraw/zinc/46/12/99/1042461299.db2.gz JAFOLIIEFPWXFP-NOZJJQNGSA-N 1 0 316.323 4.105 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000483841660 1042492710 /nfs/dbraw/zinc/49/27/10/1042492710.db2.gz XBOLCPZNDOVWBU-NEPJUHHUSA-N 1 0 320.339 4.327 20 5 DIBDRO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000421843770 1042659553 /nfs/dbraw/zinc/65/95/53/1042659553.db2.gz NKHBUXLQINLUQY-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC000423478284 1042714817 /nfs/dbraw/zinc/71/48/17/1042714817.db2.gz LAFNRYZONXJIBD-GOSISDBHSA-N 1 0 313.401 4.116 20 5 DIBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000514179451 1042772898 /nfs/dbraw/zinc/77/28/98/1042772898.db2.gz RINLENKFTVJMBV-INIZCTEOSA-N 1 0 316.426 4.172 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000517094435 1042866894 /nfs/dbraw/zinc/86/68/94/1042866894.db2.gz UMNUPJNDVPLSCY-MRXNPFEDSA-N 1 0 306.406 4.002 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000425951237 1042883639 /nfs/dbraw/zinc/88/36/39/1042883639.db2.gz PAAGBCRPDPCBHY-LBPRGKRZSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000108423119 1042911347 /nfs/dbraw/zinc/91/13/47/1042911347.db2.gz AXNXCSARCXHTIE-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000441375943 1043041749 /nfs/dbraw/zinc/04/17/49/1043041749.db2.gz CHPVHHKDNNQMEP-QAPCUYQASA-N 1 0 300.402 4.478 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000441461290 1043138922 /nfs/dbraw/zinc/13/89/22/1043138922.db2.gz FUBVXCXFHWQPGQ-RDJZCZTQSA-N 1 0 310.397 4.220 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000183784341 1043171289 /nfs/dbraw/zinc/17/12/89/1043171289.db2.gz DJJRREZBUVMNQC-OAHLLOKOSA-N 1 0 302.399 4.132 20 5 DIBDRO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000866539604 1043219130 /nfs/dbraw/zinc/21/91/30/1043219130.db2.gz DRHQDYFXSUPDDO-NSHDSACASA-N 1 0 319.430 4.081 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](CC(C)C)c2ccncc2)cc1[N+](=O)[O-] ZINC000866540921 1043220195 /nfs/dbraw/zinc/22/01/95/1043220195.db2.gz TXDNSOFKCRJWBQ-QGZVFWFLSA-N 1 0 313.401 4.175 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cc(C)ccn1 ZINC000866540965 1043220255 /nfs/dbraw/zinc/22/02/55/1043220255.db2.gz VRABNOOLRKBKBJ-INIZCTEOSA-N 1 0 313.401 4.238 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](CC(C)C)c2ccncc2)cc1[N+](=O)[O-] ZINC000866540920 1043220950 /nfs/dbraw/zinc/22/09/50/1043220950.db2.gz TXDNSOFKCRJWBQ-KRWDZBQOSA-N 1 0 313.401 4.175 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(F)F ZINC000866543478 1043221995 /nfs/dbraw/zinc/22/19/95/1043221995.db2.gz WWWYSBXWCXSXAH-LBPRGKRZSA-N 1 0 314.376 4.187 20 5 DIBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000186763713 1043232822 /nfs/dbraw/zinc/23/28/22/1043232822.db2.gz HWFMZZDKQZMMEW-GWCFXTLKSA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000053149499 1043286400 /nfs/dbraw/zinc/28/64/00/1043286400.db2.gz AXXYLFUWXHVQAM-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000268860897 1043338294 /nfs/dbraw/zinc/33/82/94/1043338294.db2.gz BUZZBJDADMLQIT-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000269023791 1043353249 /nfs/dbraw/zinc/35/32/49/1043353249.db2.gz QHALGRYLHUEWTN-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521309664 1043383412 /nfs/dbraw/zinc/38/34/12/1043383412.db2.gz QLDBLJZSALZQAQ-DOTOQJQBSA-N 1 0 315.417 4.033 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000442850178 1043431334 /nfs/dbraw/zinc/43/13/34/1043431334.db2.gz DAXJVMPZHBMOOX-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000872064272 1043446386 /nfs/dbraw/zinc/44/63/86/1043446386.db2.gz XPQDEHFBHWGLNR-DTWKUNHWSA-N 1 0 322.352 4.308 20 5 DIBDRO CC[N@H+](Cc1ccncc1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000348936258 1043482743 /nfs/dbraw/zinc/48/27/43/1043482743.db2.gz RXZRFWLVDVQTAI-UHFFFAOYSA-N 1 0 313.401 4.135 20 5 DIBDRO CC[C@H]([NH2+]CCC1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000349722940 1043518967 /nfs/dbraw/zinc/51/89/67/1043518967.db2.gz PXWJTXMGMYPDNH-UYJHFMRCSA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000927063070 1043677147 /nfs/dbraw/zinc/67/71/47/1043677147.db2.gz TYKJYILTHOWNRM-CJNGLKHVSA-N 1 0 311.385 4.026 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(F)F ZINC000877730654 1043793417 /nfs/dbraw/zinc/79/34/17/1043793417.db2.gz CGXPICOPDKZVMC-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO Cc1c(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000522469952 1043912521 /nfs/dbraw/zinc/91/25/21/1043912521.db2.gz XAQSJBLWICIXGN-KDOFPFPSSA-N 1 0 310.397 4.281 20 5 DIBDRO CC(C)([NH2+]Cc1cc(Cl)cs1)c1ccccc1[N+](=O)[O-] ZINC000291666247 1044092395 /nfs/dbraw/zinc/09/23/95/1044092395.db2.gz FTDVIEHCKCJTMG-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO Cc1cc(F)ccc1[C@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000932563683 1044143701 /nfs/dbraw/zinc/14/37/01/1044143701.db2.gz LEVRLQRGIHJSSF-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC(F)F ZINC000883251900 1044245696 /nfs/dbraw/zinc/24/56/96/1044245696.db2.gz ILVAEOZMRIITMI-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)CC(F)F)cccc1[N+](=O)[O-] ZINC000883258906 1044250819 /nfs/dbraw/zinc/25/08/19/1044250819.db2.gz UCGKJGSOVPYEEW-NSHDSACASA-N 1 0 300.349 4.235 20 5 DIBDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000522961904 1044253482 /nfs/dbraw/zinc/25/34/82/1044253482.db2.gz KZJPIYJTHMJUNN-HNNXBMFYSA-N 1 0 308.422 4.013 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC001202560096 1044349863 /nfs/dbraw/zinc/34/98/63/1044349863.db2.gz AJPCERLSWBRWCJ-MJGOQNOKSA-N 1 0 310.397 4.268 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCOc2ccccc21 ZINC000565218109 1044420029 /nfs/dbraw/zinc/42/00/29/1044420029.db2.gz OXISYKDORVXFSN-DLBZAZTESA-N 1 0 324.380 4.086 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000040518076 1044422671 /nfs/dbraw/zinc/42/26/71/1044422671.db2.gz UZEYSPNTDWLNIA-NXEZZACHSA-N 1 0 305.403 4.080 20 5 DIBDRO CC[C@H](c1ccncc1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000565450836 1044436908 /nfs/dbraw/zinc/43/69/08/1044436908.db2.gz OVZPKGKQSCMJGH-BQLWYNFJSA-N 1 0 311.385 4.086 20 5 DIBDRO CCC[C@H]([NH2+]CC1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000361926682 1044458695 /nfs/dbraw/zinc/45/86/95/1044458695.db2.gz RAUFHYUCWUTWFO-UYJHFMRCSA-N 1 0 320.433 4.231 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Cl)cc1 ZINC000567291268 1044557075 /nfs/dbraw/zinc/55/70/75/1044557075.db2.gz WDDAZUNVJWRLTL-OAHLLOKOSA-N 1 0 302.761 4.025 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000568067670 1044600865 /nfs/dbraw/zinc/60/08/65/1044600865.db2.gz DDLIXWGJXMRBQY-YZGWKJHDSA-N 1 0 322.408 4.146 20 5 DIBDRO CC(C)c1ccc(C(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886065916 1044603834 /nfs/dbraw/zinc/60/38/34/1044603834.db2.gz YTMJIDMRNFUFOP-UHFFFAOYSA-N 1 0 313.401 4.138 20 5 DIBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886111651 1044615451 /nfs/dbraw/zinc/61/54/51/1044615451.db2.gz GEIPLECLJHOTJV-QGZVFWFLSA-N 1 0 313.401 4.175 20 5 DIBDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513263 1044738934 /nfs/dbraw/zinc/73/89/34/1044738934.db2.gz CSGUSASXWNADQL-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC000089512227 1044740742 /nfs/dbraw/zinc/74/07/42/1044740742.db2.gz UQRAZDZKMAFTJZ-LLVKDONJSA-N 1 0 320.389 4.307 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCc2ccco2)c2ccccc2)c1 ZINC000156234092 1044781840 /nfs/dbraw/zinc/78/18/40/1044781840.db2.gz WGUAYEYBDAAFBA-IBGZPJMESA-N 1 0 322.364 4.110 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000283004434 1044908033 /nfs/dbraw/zinc/90/80/33/1044908033.db2.gz FXSXEWMVNFPGLP-UHFFFAOYSA-N 1 0 324.302 4.037 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000133633031 1044942161 /nfs/dbraw/zinc/94/21/61/1044942161.db2.gz UIFKIMOCNHWUAJ-GUYCJALGSA-N 1 0 312.369 4.159 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000525125512 1044993450 /nfs/dbraw/zinc/99/34/50/1044993450.db2.gz USBCECBEUACLBY-DOTOQJQBSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000525636363 1045101177 /nfs/dbraw/zinc/10/11/77/1045101177.db2.gz SYLBAZCQRMSIFZ-OXQOHEQNSA-N 1 0 324.424 4.263 20 5 DIBDRO CCO[C@H](CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447530971 1045137350 /nfs/dbraw/zinc/13/73/50/1045137350.db2.gz NVNYFIFFJZFOSE-QZTJIDSGSA-N 1 0 320.433 4.013 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447542694 1045143400 /nfs/dbraw/zinc/14/34/00/1045143400.db2.gz PPDDBKKNRPNDAB-LXZKKBNFSA-N 1 0 320.458 4.236 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000447545747 1045143770 /nfs/dbraw/zinc/14/37/70/1045143770.db2.gz ZCHADHIMRLGPQA-LJQANCHMSA-N 1 0 310.397 4.379 20 5 DIBDRO CCc1ccccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447545093 1045144677 /nfs/dbraw/zinc/14/46/77/1045144677.db2.gz XAPUQHYZZSODHS-IBGZPJMESA-N 1 0 310.397 4.324 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000447587064 1045152962 /nfs/dbraw/zinc/15/29/62/1045152962.db2.gz QCZCIUSWONBEAS-QGZVFWFLSA-N 1 0 314.385 4.178 20 5 DIBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001228153080 1045168794 /nfs/dbraw/zinc/16/87/94/1045168794.db2.gz AVHIWUUNCDWEKJ-SECBINFHSA-N 1 0 321.204 4.011 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3ncccc32)cc1[N+](=O)[O-] ZINC000601271829 1045209205 /nfs/dbraw/zinc/20/92/05/1045209205.db2.gz UXBAUTCSUQESPQ-CXAGYDPISA-N 1 0 311.385 4.026 20 5 DIBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000601299310 1045214597 /nfs/dbraw/zinc/21/45/97/1045214597.db2.gz YWJDJCPDQJRQBZ-GHMZBOCLSA-N 1 0 305.403 4.080 20 5 DIBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000601299311 1045214851 /nfs/dbraw/zinc/21/48/51/1045214851.db2.gz YWJDJCPDQJRQBZ-MNOVXSKESA-N 1 0 305.403 4.080 20 5 DIBDRO CN(Cc1cc(F)cc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000485702863 1045237170 /nfs/dbraw/zinc/23/71/70/1045237170.db2.gz FFHFHCIQWXJROW-UHFFFAOYSA-N 1 0 308.740 4.019 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001168096053 1045242476 /nfs/dbraw/zinc/24/24/76/1045242476.db2.gz HSLQSJOSNSXIQM-HUUCEWRRSA-N 1 0 308.397 4.428 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001168096049 1045242541 /nfs/dbraw/zinc/24/25/41/1045242541.db2.gz HSLQSJOSNSXIQM-GJZGRUSLSA-N 1 0 308.397 4.428 20 5 DIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579258719 1045301777 /nfs/dbraw/zinc/30/17/77/1045301777.db2.gz XMTUKQCSQHYZGC-DLBZAZTESA-N 1 0 324.380 4.004 20 5 DIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579258720 1045302462 /nfs/dbraw/zinc/30/24/62/1045302462.db2.gz XMTUKQCSQHYZGC-IAGOWNOFSA-N 1 0 324.380 4.004 20 5 DIBDRO O[C@H]1CC[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000188852422 1045340594 /nfs/dbraw/zinc/34/05/94/1045340594.db2.gz SGAPPPMVGBLBCL-YJBOKZPZSA-N 1 0 305.421 4.244 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cccs1)C1CC1 ZINC000449076712 1045345561 /nfs/dbraw/zinc/34/55/61/1045345561.db2.gz XQHLHLQBKNOOOX-PXAZEXFGSA-N 1 0 316.426 4.328 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000089214366 1045614389 /nfs/dbraw/zinc/61/43/89/1045614389.db2.gz DZNUZUHZUOTFQP-KZULUSFZSA-N 1 0 314.360 4.462 20 5 DIBDRO COCC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000451101021 1045628422 /nfs/dbraw/zinc/62/84/22/1045628422.db2.gz ABQUAUUSZGCOMG-KSSFIOAISA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000530365704 1045652984 /nfs/dbraw/zinc/65/29/84/1045652984.db2.gz ANIICZZKWGFSFP-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@H](Cc1ccsc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752094302 1045658788 /nfs/dbraw/zinc/65/87/88/1045658788.db2.gz QKPXMJQOESLHIN-LLVKDONJSA-N 1 0 324.833 4.373 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2CCCF)c1 ZINC000800973424 1045672944 /nfs/dbraw/zinc/67/29/44/1045672944.db2.gz FEGJEDGRRKPEHS-XHDPSFHLSA-N 1 0 314.788 4.256 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCc2ccccc21 ZINC000801508984 1045725352 /nfs/dbraw/zinc/72/53/52/1045725352.db2.gz KLTCNBCHKXLILS-QGZVFWFLSA-N 1 0 314.360 4.243 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C)cc1 ZINC000801526805 1045730995 /nfs/dbraw/zinc/73/09/95/1045730995.db2.gz XTDBXEXACRIXCK-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000475672160 1045732426 /nfs/dbraw/zinc/73/24/26/1045732426.db2.gz YOEFCQLNEJHOIB-KOMQPUFPSA-N 1 0 316.788 4.284 20 5 DIBDRO Cc1cccc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000801539425 1045733422 /nfs/dbraw/zinc/73/34/22/1045733422.db2.gz GLBHKZCWQVIAOX-MRXNPFEDSA-N 1 0 314.360 4.032 20 5 DIBDRO CC(C)(C)SCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000801929559 1045848322 /nfs/dbraw/zinc/84/83/22/1045848322.db2.gz PUZMAUONLUGOTD-UHFFFAOYSA-N 1 0 308.447 4.091 20 5 DIBDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC000520214318 1045892966 /nfs/dbraw/zinc/89/29/66/1045892966.db2.gz UUPHDYHOSPLESE-UHFFFAOYSA-N 1 0 323.396 4.291 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCCC2(F)F)cccc1[N+](=O)[O-] ZINC000453250845 1046002514 /nfs/dbraw/zinc/00/25/14/1046002514.db2.gz MUCSMVKXKGDWEQ-STQMWFEESA-N 1 0 312.360 4.379 20 5 DIBDRO CC(C)([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000830009100 1046029643 /nfs/dbraw/zinc/02/96/43/1046029643.db2.gz PVJGRCROEMXPEY-ZDUSSCGKSA-N 1 0 317.216 4.003 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000830191202 1046047258 /nfs/dbraw/zinc/04/72/58/1046047258.db2.gz XPFYZUJGEQAXMQ-GFCCVEGCSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1ccc([C@@H](C)[N@@H+]2CCC[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000453356648 1046055752 /nfs/dbraw/zinc/05/57/52/1046055752.db2.gz LAONBXDDAGEKMZ-PBHICJAKSA-N 1 0 320.458 4.183 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903056594 1046151365 /nfs/dbraw/zinc/15/13/65/1046151365.db2.gz WFJNHOYVAWYIGY-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903167517 1046183089 /nfs/dbraw/zinc/18/30/89/1046183089.db2.gz ZQCUGDIVDKVUGM-WDEREUQCSA-N 1 0 306.387 4.077 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccco2)s1 ZINC000102419398 1046185813 /nfs/dbraw/zinc/18/58/13/1046185813.db2.gz PLNARUMTZZESMQ-UHFFFAOYSA-N 1 0 314.366 4.206 20 5 DIBDRO COc1cc([C@@H](C)[NH2+]Cc2csc(C)c2C)cc([N+](=O)[O-])c1 ZINC000903208946 1046193958 /nfs/dbraw/zinc/19/39/58/1046193958.db2.gz BYFRSTJEQWSZLG-LLVKDONJSA-N 1 0 320.414 4.133 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000903244720 1046207327 /nfs/dbraw/zinc/20/73/27/1046207327.db2.gz CAROHNVEHCUQBQ-RYUDHWBXSA-N 1 0 319.792 4.098 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000903288574 1046223798 /nfs/dbraw/zinc/22/37/98/1046223798.db2.gz ZDGLLBPXGLPRCL-CHWSQXEVSA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000903288575 1046223988 /nfs/dbraw/zinc/22/39/88/1046223988.db2.gz ZDGLLBPXGLPRCL-OLZOCXBDSA-N 1 0 316.405 4.092 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000903288220 1046224624 /nfs/dbraw/zinc/22/46/24/1046224624.db2.gz VBISAHNRECJURC-GHMZBOCLSA-N 1 0 321.327 4.339 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1ccc([N+](=O)[O-])cc1 ZINC000903286861 1046225110 /nfs/dbraw/zinc/22/51/10/1046225110.db2.gz IEHFPJFFADIIBK-QGHHPUGFSA-N 1 0 318.323 4.211 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000903286788 1046225286 /nfs/dbraw/zinc/22/52/86/1046225286.db2.gz GQXKWVKKYLLXNZ-SJKOYZFVSA-N 1 0 312.369 4.029 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccn1)C1CC1)CCC2 ZINC000903334973 1046246440 /nfs/dbraw/zinc/24/64/40/1046246440.db2.gz JHYPCFIQMRVGRF-MJGOQNOKSA-N 1 0 323.396 4.108 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903340062 1046250189 /nfs/dbraw/zinc/25/01/89/1046250189.db2.gz PBOBMVBLKAYUIL-UGSOOPFHSA-N 1 0 311.385 4.100 20 5 DIBDRO CC[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903338766 1046251611 /nfs/dbraw/zinc/25/16/11/1046251611.db2.gz JDIHARPYOGNLTI-FUHWJXTLSA-N 1 0 311.385 4.182 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000127543103 1046257922 /nfs/dbraw/zinc/25/79/22/1046257922.db2.gz LXVHYYLZWWFKGJ-LSDHHAIUSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903430058 1046278626 /nfs/dbraw/zinc/27/86/26/1046278626.db2.gz XJCXSUCWKMNNKL-SCLBCKFNSA-N 1 0 311.385 4.100 20 5 DIBDRO CSCc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000795346822 1046291990 /nfs/dbraw/zinc/29/19/90/1046291990.db2.gz YDKDMZAOBWCOHA-ZDUSSCGKSA-N 1 0 316.426 4.309 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC001307512806 1046297749 /nfs/dbraw/zinc/29/77/49/1046297749.db2.gz GNECOHYELDTWHO-ZDUSSCGKSA-N 1 0 304.415 4.028 20 5 DIBDRO Cc1ccc(C2=CC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000795373477 1046298986 /nfs/dbraw/zinc/29/89/86/1046298986.db2.gz KLLHLIOAEMLIIN-UHFFFAOYSA-N 1 0 308.381 4.193 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000610511562 1046301290 /nfs/dbraw/zinc/30/12/90/1046301290.db2.gz FAUIILATAGTNER-OCCSQVGLSA-N 1 0 316.323 4.053 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCCCCCC3)co2)cc1 ZINC000089882818 1046322770 /nfs/dbraw/zinc/32/27/70/1046322770.db2.gz WSAKGORGRUTCAR-UHFFFAOYSA-N 1 0 315.373 4.016 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000037770830 1046338430 /nfs/dbraw/zinc/33/84/30/1046338430.db2.gz BFJRPKAFMGVVAJ-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CCC[C@H]([NH2+][C@H](COCC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000389756983 1046434568 /nfs/dbraw/zinc/43/45/68/1046434568.db2.gz RPVGXPVXXKZOPI-DLBZAZTESA-N 1 0 308.422 4.087 20 5 DIBDRO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465706 1046439050 /nfs/dbraw/zinc/43/90/50/1046439050.db2.gz GWLUZMCJQWBQNJ-GHMZBOCLSA-N 1 0 304.312 4.019 20 5 DIBDRO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465707 1046440220 /nfs/dbraw/zinc/44/02/20/1046440220.db2.gz GWLUZMCJQWBQNJ-MNOVXSKESA-N 1 0 304.312 4.019 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](COCC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000389756987 1046440505 /nfs/dbraw/zinc/44/05/05/1046440505.db2.gz RPVGXPVXXKZOPI-SJORKVTESA-N 1 0 308.422 4.087 20 5 DIBDRO CN1CC[C@H]([NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000729681852 1046575266 /nfs/dbraw/zinc/57/52/66/1046575266.db2.gz LFJPJOVNMVWTAH-AWEZNQCLSA-N 1 0 324.855 4.440 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(F)cc3)CC2)ccc1Cl ZINC000729685993 1046606791 /nfs/dbraw/zinc/60/67/91/1046606791.db2.gz ZGEZUDLOKFXCPU-UHFFFAOYSA-N 1 0 320.751 4.166 20 5 DIBDRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000834894887 1046705659 /nfs/dbraw/zinc/70/56/59/1046705659.db2.gz WLNLEDMPHJLCHP-MFKMUULPSA-N 1 0 317.216 4.219 20 5 DIBDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000302834596 1046807383 /nfs/dbraw/zinc/80/73/83/1046807383.db2.gz VRWDGGIUKWANID-HNNXBMFYSA-N 1 0 310.397 4.396 20 5 DIBDRO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000797518989 1046844568 /nfs/dbraw/zinc/84/45/68/1046844568.db2.gz QHJAUKGJFDPPCI-SFHVURJKSA-N 1 0 314.385 4.018 20 5 DIBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000797602329 1046867676 /nfs/dbraw/zinc/86/76/76/1046867676.db2.gz KCGDNUFEBHVNMO-GFCCVEGCSA-N 1 0 319.792 4.111 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000797876390 1046900215 /nfs/dbraw/zinc/90/02/15/1046900215.db2.gz HROPYCFRUXHQML-SAZUREKKSA-N 1 0 316.788 4.284 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303571728 1046931880 /nfs/dbraw/zinc/93/18/80/1046931880.db2.gz MWRXWAVFDPMGDJ-YJBOKZPZSA-N 1 0 300.402 4.478 20 5 DIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000303740163 1046953003 /nfs/dbraw/zinc/95/30/03/1046953003.db2.gz IECPLDSWHDUZAT-OAHLLOKOSA-N 1 0 312.413 4.275 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000303908662 1047000087 /nfs/dbraw/zinc/00/00/87/1047000087.db2.gz UFZABVZYHUXGEF-CZUORRHYSA-N 1 0 314.360 4.112 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CC2CCC2)o1 ZINC001116017403 1047100103 /nfs/dbraw/zinc/10/01/03/1047100103.db2.gz NJTSDVAOEVANJE-UHFFFAOYSA-N 1 0 320.776 4.398 20 5 DIBDRO COc1cccc(F)c1[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537158540 1047143244 /nfs/dbraw/zinc/14/32/44/1047143244.db2.gz GLRWMXINXALPDY-VXGBXAGGSA-N 1 0 318.348 4.154 20 5 DIBDRO COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000537158538 1047143414 /nfs/dbraw/zinc/14/34/14/1047143414.db2.gz GLRWMXINXALPDY-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001141722594 1047276050 /nfs/dbraw/zinc/27/60/50/1047276050.db2.gz FHYLNYMHVAWSTO-HDICACEKSA-N 1 0 303.405 4.071 20 5 DIBDRO COC(C[N@H+](C)Cc1c2ccccc2cc2ccccc21)OC ZINC001141728092 1047281345 /nfs/dbraw/zinc/28/13/45/1047281345.db2.gz LCNCJRAKFXYOPL-UHFFFAOYSA-N 1 0 309.409 4.044 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000537480771 1047302154 /nfs/dbraw/zinc/30/21/54/1047302154.db2.gz DFOVAFKBNZLFFR-UAGQMJEPSA-N 1 0 320.433 4.148 20 5 DIBDRO CSCC1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000385821082 1047430032 /nfs/dbraw/zinc/43/00/32/1047430032.db2.gz JVXBUWSAVUQNKI-DNOWBOINSA-N 1 0 308.447 4.167 20 5 DIBDRO CSCC1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000385821084 1047430355 /nfs/dbraw/zinc/43/03/55/1047430355.db2.gz JVXBUWSAVUQNKI-OPFPJEHXSA-N 1 0 308.447 4.167 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)o2)cc1 ZINC000537625311 1047479763 /nfs/dbraw/zinc/47/97/63/1047479763.db2.gz ZQDAOWLCCFQDGI-GASCZTMLSA-N 1 0 312.369 4.087 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](C4CC4)C3)o2)c1 ZINC000537647283 1047557811 /nfs/dbraw/zinc/55/78/11/1047557811.db2.gz JDNSXJCYXWLYPR-HNNXBMFYSA-N 1 0 312.369 4.087 20 5 DIBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000537949670 1047645723 /nfs/dbraw/zinc/64/57/23/1047645723.db2.gz QFFSLYPVRVQRGI-KRWDZBQOSA-N 1 0 320.339 4.156 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538113256 1047658543 /nfs/dbraw/zinc/65/85/43/1047658543.db2.gz BRYGBKFWLFEDOQ-ZIAGYGMSSA-N 1 0 313.401 4.272 20 5 DIBDRO CCC[C@@H](CC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000538393334 1047673805 /nfs/dbraw/zinc/67/38/05/1047673805.db2.gz YEDPHYAEQDFFCA-CYBMUJFWSA-N 1 0 319.430 4.387 20 5 DIBDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539083477 1047733238 /nfs/dbraw/zinc/73/32/38/1047733238.db2.gz NHCKFJWXVDDJDC-KSSFIOAISA-N 1 0 314.385 4.103 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000927036512 1047766707 /nfs/dbraw/zinc/76/67/07/1047766707.db2.gz ILGAJBYTKOGEKD-TZMCWYRMSA-N 1 0 306.431 4.064 20 5 DIBDRO Cc1ccccc1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000553085632 1047820214 /nfs/dbraw/zinc/82/02/14/1047820214.db2.gz QNBWCJFSIPACPL-UHFFFAOYSA-N 1 0 310.397 4.283 20 5 DIBDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)C1 ZINC001182816413 1047848033 /nfs/dbraw/zinc/84/80/33/1047848033.db2.gz KTWRVFSULHTTJC-IMRBUKKESA-N 1 0 310.825 4.410 20 5 DIBDRO c1nn(C2C[NH2+]C2)cc1Nc1cccc2cc3ccccc3cc21 ZINC001159715463 1047908027 /nfs/dbraw/zinc/90/80/27/1047908027.db2.gz YQHDQCAMMNXNRR-UHFFFAOYSA-N 1 0 314.392 4.077 20 5 DIBDRO c1cnc2c(c1)cc(Nc1ccc3c(c1)C[NH2+]C3)c1cccnc12 ZINC001159736290 1047911947 /nfs/dbraw/zinc/91/19/47/1047911947.db2.gz LWGMCNBFVLZKCB-UHFFFAOYSA-N 1 0 312.376 4.130 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001159757314 1047915803 /nfs/dbraw/zinc/91/58/03/1047915803.db2.gz OZPNOHQQZFJXDN-UHFFFAOYSA-N 1 0 311.385 4.114 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)o1 ZINC001203313622 1047921742 /nfs/dbraw/zinc/92/17/42/1047921742.db2.gz ABVHVEZVIIIFJT-LSDHHAIUSA-N 1 0 318.348 4.225 20 5 DIBDRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001183345163 1047922933 /nfs/dbraw/zinc/92/29/33/1047922933.db2.gz FVEURGKBBJOMKJ-SFHVURJKSA-N 1 0 312.413 4.323 20 5 DIBDRO COc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000479574716 1047933699 /nfs/dbraw/zinc/93/36/99/1047933699.db2.gz AKGUPUKNWCQSAN-UHFFFAOYSA-N 1 0 314.385 4.014 20 5 DIBDRO Nc1cc(NC2=CCC[NH2+]C2)c2ccc3cccc4ccc1c2c43 ZINC001159969850 1047960850 /nfs/dbraw/zinc/96/08/50/1047960850.db2.gz AXOOUMNENVUFIT-UHFFFAOYSA-N 1 0 313.404 4.455 20 5 DIBDRO CC[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001183789764 1047966160 /nfs/dbraw/zinc/96/61/60/1047966160.db2.gz XOBJFLGVGIWFSL-JSGCOSHPSA-N 1 0 304.415 4.328 20 5 DIBDRO Cc1ccc2cc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC001183788952 1047966436 /nfs/dbraw/zinc/96/64/36/1047966436.db2.gz QCBJBROVKKNQPF-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc(Nc2ccccc2C2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160022801 1047971903 /nfs/dbraw/zinc/97/19/03/1047971903.db2.gz BAQVBFJPAUFYIZ-UHFFFAOYSA-N 1 0 309.369 4.024 20 5 DIBDRO CCCCC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001174781606 1047972876 /nfs/dbraw/zinc/97/28/76/1047972876.db2.gz XCARQWSFYHASLM-MRXNPFEDSA-N 1 0 320.433 4.408 20 5 DIBDRO Cc1cc(C)c2c(c1)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC001198850680 1048012026 /nfs/dbraw/zinc/01/20/26/1048012026.db2.gz BFPPIFPFNDIHDJ-UHFFFAOYSA-N 1 0 310.397 4.078 20 5 DIBDRO CCCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001199060512 1048032331 /nfs/dbraw/zinc/03/23/31/1048032331.db2.gz XDEUGNZTEMXVIR-UHFFFAOYSA-N 1 0 313.401 4.252 20 5 DIBDRO CCC[C@H]([NH3+])C(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001160735158 1048080897 /nfs/dbraw/zinc/08/08/97/1048080897.db2.gz OYPYVRRCAWATGJ-FQEVSTJZSA-N 1 0 320.436 4.079 20 5 DIBDRO Cc1cc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001184865711 1048100503 /nfs/dbraw/zinc/10/05/03/1048100503.db2.gz SWVUSDMEMXSTCH-GJZGRUSLSA-N 1 0 319.449 4.073 20 5 DIBDRO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001175036259 1048102456 /nfs/dbraw/zinc/10/24/56/1048102456.db2.gz OSWZSDRAJWOUTM-CYBMUJFWSA-N 1 0 302.349 4.235 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(C)c1 ZINC001199972476 1048128375 /nfs/dbraw/zinc/12/83/75/1048128375.db2.gz SZYHXKAERFJDNB-VBKFSLOCSA-N 1 0 310.397 4.139 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(F)(F)F ZINC000554720965 1048165431 /nfs/dbraw/zinc/16/54/31/1048165431.db2.gz JOXWUSXMNJZZLQ-NSHDSACASA-N 1 0 318.339 4.094 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000480661457 1048204286 /nfs/dbraw/zinc/20/42/86/1048204286.db2.gz RMHXFIDIKQJJMI-SECBINFHSA-N 1 0 324.730 4.459 20 5 DIBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000554850016 1048206752 /nfs/dbraw/zinc/20/67/52/1048206752.db2.gz HAOKFZNMGRHYDU-BPUTZDHNSA-N 1 0 318.417 4.004 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001175240172 1048213506 /nfs/dbraw/zinc/21/35/06/1048213506.db2.gz XFLJXQASMMYPQG-QGZVFWFLSA-N 1 0 320.339 4.288 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000480724532 1048229895 /nfs/dbraw/zinc/22/98/95/1048229895.db2.gz VSXSDDQQIDONKP-ZVZYQTTQSA-N 1 0 320.433 4.148 20 5 DIBDRO O=[N+]([O-])c1ccsc1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001186248606 1048275524 /nfs/dbraw/zinc/27/55/24/1048275524.db2.gz LOJNQBGUSKMPNI-UHFFFAOYSA-N 1 0 323.462 4.115 20 5 DIBDRO Cc1cc(NCC2CC[NH+](CCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001162675674 1048334154 /nfs/dbraw/zinc/33/41/54/1048334154.db2.gz ZLIFVZQFVQABTL-UHFFFAOYSA-N 1 0 319.449 4.073 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000192844906 1048345385 /nfs/dbraw/zinc/34/53/85/1048345385.db2.gz OSPSGORPNGNPKG-STQMWFEESA-N 1 0 300.358 4.021 20 5 DIBDRO C[N@@H+]1CCC=C(Nc2c(N)c3ccccc3c3ccccc32)C1 ZINC001175577629 1048376026 /nfs/dbraw/zinc/37/60/26/1048376026.db2.gz FKLUCTYXRYSTME-UHFFFAOYSA-N 1 0 303.409 4.207 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc3ccccc3s2)c1 ZINC001201823094 1048383449 /nfs/dbraw/zinc/38/34/49/1048383449.db2.gz ULKRSQHVGACDOY-UHFFFAOYSA-N 1 0 312.394 4.142 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc[nH]1 ZINC001201842967 1048386820 /nfs/dbraw/zinc/38/68/20/1048386820.db2.gz UWPWECWNRPXUPW-GFCCVEGCSA-N 1 0 311.341 4.034 20 5 DIBDRO Cc1cc(NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC001162959804 1048395731 /nfs/dbraw/zinc/39/57/31/1048395731.db2.gz KHYULNCNTJIPJE-UHFFFAOYSA-N 1 0 323.462 4.031 20 5 DIBDRO Cc1c(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000481718824 1048464217 /nfs/dbraw/zinc/46/42/17/1048464217.db2.gz BAMXARALXBNZCC-YPMHNXCESA-N 1 0 316.323 4.066 20 5 DIBDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001175898474 1048477611 /nfs/dbraw/zinc/47/76/11/1048477611.db2.gz RICHIHLFOMKVCW-ZBFHGGJFSA-N 1 0 310.397 4.366 20 5 DIBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001175902612 1048496543 /nfs/dbraw/zinc/49/65/43/1048496543.db2.gz RJVNKRQLYYVOCL-SDNWHVSQSA-N 1 0 323.396 4.273 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001176037926 1048542553 /nfs/dbraw/zinc/54/25/53/1048542553.db2.gz ZCEHPGKROYYPQZ-BLLLJJGKSA-N 1 0 302.399 4.239 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000482441456 1048605760 /nfs/dbraw/zinc/60/57/60/1048605760.db2.gz VGULICFPFAZVQY-OVCLIPMQSA-N 1 0 308.381 4.322 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000482441455 1048606783 /nfs/dbraw/zinc/60/67/83/1048606783.db2.gz VGULICFPFAZVQY-NVNXTCNLSA-N 1 0 308.381 4.322 20 5 DIBDRO CC(C)C[N@H+](Cc1ccccn1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001176345155 1048636066 /nfs/dbraw/zinc/63/60/66/1048636066.db2.gz LCMVEJZSGHNTPN-OAHLLOKOSA-N 1 0 313.401 4.209 20 5 DIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC001190400318 1048729771 /nfs/dbraw/zinc/72/97/71/1048729771.db2.gz XZYLUMUOYZUQKR-GOSISDBHSA-N 1 0 318.417 4.018 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000775388297 1048741033 /nfs/dbraw/zinc/74/10/33/1048741033.db2.gz RHJYKLVGCMUXKS-GOSISDBHSA-N 1 0 314.385 4.018 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC12CCCCC2 ZINC001176760879 1048788933 /nfs/dbraw/zinc/78/89/33/1048788933.db2.gz JEVTYKVQOGIPRP-RHSMWYFYSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001191003891 1048817379 /nfs/dbraw/zinc/81/73/79/1048817379.db2.gz LCGZQIYRHOHSGH-YJBOKZPZSA-N 1 0 310.397 4.281 20 5 DIBDRO CCO[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000483842932 1048868800 /nfs/dbraw/zinc/86/88/00/1048868800.db2.gz RYRLVCAZXHVZDQ-WMLDXEAASA-N 1 0 308.422 4.005 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000483841663 1048869170 /nfs/dbraw/zinc/86/91/70/1048869170.db2.gz XBOLCPZNDOVWBU-VXGBXAGGSA-N 1 0 320.339 4.327 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001177328991 1048871512 /nfs/dbraw/zinc/87/15/12/1048871512.db2.gz YPQYVSOIAXDHKU-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000483870636 1048879403 /nfs/dbraw/zinc/87/94/03/1048879403.db2.gz KLXDXEFCNPTPPG-YOEHRIQHSA-N 1 0 308.422 4.005 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc2c([nH+]1)CCCC2 ZINC001203570781 1048932897 /nfs/dbraw/zinc/93/28/97/1048932897.db2.gz ASUOSHJBBSTNLU-SDNWHVSQSA-N 1 0 323.396 4.384 20 5 DIBDRO CCO[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000484477293 1048948489 /nfs/dbraw/zinc/94/84/89/1048948489.db2.gz XOUMCJTZXOLXFD-KBXCAEBGSA-N 1 0 320.433 4.231 20 5 DIBDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001178326472 1049020526 /nfs/dbraw/zinc/02/05/26/1049020526.db2.gz KWCXWJCJPAEKGK-CJNGLKHVSA-N 1 0 322.836 4.373 20 5 DIBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C)s1 ZINC001178326422 1049021266 /nfs/dbraw/zinc/02/12/66/1049021266.db2.gz JGKFABUHWLNRSL-UHFFFAOYSA-N 1 0 324.833 4.259 20 5 DIBDRO CSCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001203952689 1049043671 /nfs/dbraw/zinc/04/36/71/1049043671.db2.gz AZLBAUYKGHUCCH-UHFFFAOYSA-N 1 0 320.414 4.086 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001178609271 1049067843 /nfs/dbraw/zinc/06/78/43/1049067843.db2.gz FLUSUZBDLJUBCA-UHFFFAOYSA-N 1 0 310.397 4.195 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC001192605054 1049121213 /nfs/dbraw/zinc/12/12/13/1049121213.db2.gz QSAFXFLVGMJKLU-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173364210 1049139054 /nfs/dbraw/zinc/13/90/54/1049139054.db2.gz RHTZSIOSHMDZEP-KBPBESRZSA-N 1 0 314.385 4.405 20 5 DIBDRO CCc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001192930075 1049155196 /nfs/dbraw/zinc/15/51/96/1049155196.db2.gz SFPVIYDPINNCEL-UHFFFAOYSA-N 1 0 310.397 4.322 20 5 DIBDRO COC(OC)[C@@H](C)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001179430337 1049163276 /nfs/dbraw/zinc/16/32/76/1049163276.db2.gz XXQYVWJSULNYIQ-CQSZACIVSA-N 1 0 309.409 4.090 20 5 DIBDRO C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001204498092 1049175725 /nfs/dbraw/zinc/17/57/25/1049175725.db2.gz XETNPKTVUUDDOL-LLVKDONJSA-N 1 0 316.323 4.236 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc2occc2c1)c1ccccc1[N+](=O)[O-] ZINC001179685370 1049192744 /nfs/dbraw/zinc/19/27/44/1049192744.db2.gz LGJRQKIHRSYSEL-ZDUSSCGKSA-N 1 0 310.353 4.234 20 5 DIBDRO Cc1csc(CCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173376193 1049211393 /nfs/dbraw/zinc/21/13/93/1049211393.db2.gz UCHFUZKHKVTPHA-CYBMUJFWSA-N 1 0 319.430 4.033 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](Cc1ccccc1)C1CC1 ZINC001179905532 1049238551 /nfs/dbraw/zinc/23/85/51/1049238551.db2.gz KNRAZXZQFBMDGR-UHFFFAOYSA-N 1 0 310.397 4.376 20 5 DIBDRO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001180267499 1049323966 /nfs/dbraw/zinc/32/39/66/1049323966.db2.gz XCEVRJDRPAMGLH-ZBFHGGJFSA-N 1 0 302.418 4.169 20 5 DIBDRO COc1ccccc1C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485737733 1049329671 /nfs/dbraw/zinc/32/96/71/1049329671.db2.gz LPBRQONERXINDI-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC001180348960 1049342183 /nfs/dbraw/zinc/34/21/83/1049342183.db2.gz HCLAZERVGHXAHD-XUJVJEKNSA-N 1 0 310.825 4.205 20 5 DIBDRO C[C@@H]1CCC[C@@H](C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001180349666 1049343203 /nfs/dbraw/zinc/34/32/03/1049343203.db2.gz NZKURLHDOYROBW-CHWSQXEVSA-N 1 0 310.825 4.207 20 5 DIBDRO C[N@H+](CCCC1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC001194263076 1049353003 /nfs/dbraw/zinc/35/30/03/1049353003.db2.gz SZMNFXNQSIZZNI-UHFFFAOYSA-N 1 0 304.434 4.430 20 5 DIBDRO CCC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC001194425158 1049372497 /nfs/dbraw/zinc/37/24/97/1049372497.db2.gz ABVQEZSFYZMEFD-AWEZNQCLSA-N 1 0 300.349 4.177 20 5 DIBDRO CC1(C2CC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001194772479 1049429122 /nfs/dbraw/zinc/42/91/22/1049429122.db2.gz ONAFCBBGLSZHPA-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO CC(C)([NH2+]C/C=C\c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001205290819 1049429623 /nfs/dbraw/zinc/42/96/23/1049429623.db2.gz BXOWZONTWYVLHQ-XQRVVYSFSA-N 1 0 314.360 4.272 20 5 DIBDRO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173435539 1049454855 /nfs/dbraw/zinc/45/48/55/1049454855.db2.gz LJODWFJELDYOEJ-LBPRGKRZSA-N 1 0 300.333 4.074 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC001194953081 1049454765 /nfs/dbraw/zinc/45/47/65/1049454765.db2.gz IHRLCAUDZJQFBJ-KSSFIOAISA-N 1 0 320.433 4.440 20 5 DIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC(C)(C)C1 ZINC001195002401 1049460753 /nfs/dbraw/zinc/46/07/53/1049460753.db2.gz BCTAKBIYUIEPDB-UHFFFAOYSA-N 1 0 316.323 4.234 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC001181419315 1049471811 /nfs/dbraw/zinc/47/18/11/1049471811.db2.gz ZGQQCVLFSMNAIS-JTQLQIEISA-N 1 0 316.323 4.282 20 5 DIBDRO CCCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001181418884 1049472511 /nfs/dbraw/zinc/47/25/11/1049472511.db2.gz QLVYZJZPWWLCQJ-JTQLQIEISA-N 1 0 304.312 4.282 20 5 DIBDRO CC[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001205504026 1049488030 /nfs/dbraw/zinc/48/80/30/1049488030.db2.gz QPLWRCZQTAAGIJ-QGZVFWFLSA-N 1 0 312.413 4.263 20 5 DIBDRO CCCc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001181697161 1049508117 /nfs/dbraw/zinc/50/81/17/1049508117.db2.gz GJOAFYMUHUQNOV-UHFFFAOYSA-N 1 0 312.413 4.222 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000487149736 1049517607 /nfs/dbraw/zinc/51/76/07/1049517607.db2.gz GCNWUAZLVYJEQO-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001205642868 1049520848 /nfs/dbraw/zinc/52/08/48/1049520848.db2.gz PIELQWXNMIYANM-QMTHXVAHSA-N 1 0 316.323 4.282 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2C2CCC2)ccc1Cl ZINC001195825396 1049577024 /nfs/dbraw/zinc/57/70/24/1049577024.db2.gz IXYYJVATZMGOKI-OAHLLOKOSA-N 1 0 308.809 4.403 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2C2CCC2)ccc1Cl ZINC001195825394 1049577499 /nfs/dbraw/zinc/57/74/99/1049577499.db2.gz IXYYJVATZMGOKI-HNNXBMFYSA-N 1 0 308.809 4.403 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C(C)(C)C)C1 ZINC001206013790 1049629748 /nfs/dbraw/zinc/62/97/48/1049629748.db2.gz AJIGFYRZDTZRTK-JEYLPNPQSA-N 1 0 304.434 4.330 20 5 DIBDRO CC(C)(C)SCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774240288 1049630135 /nfs/dbraw/zinc/63/01/35/1049630135.db2.gz XDMNNIQXMNQYAY-HNNXBMFYSA-N 1 0 308.447 4.094 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC001196490443 1049666595 /nfs/dbraw/zinc/66/65/95/1049666595.db2.gz YAIZXEHVCVJSOK-DNDYEEKYSA-N 1 0 308.397 4.471 20 5 DIBDRO N[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1F ZINC001206174162 1049675571 /nfs/dbraw/zinc/67/55/71/1049675571.db2.gz MAEKKDHQUCQJIH-SFTDATJTSA-N 1 0 322.427 4.254 20 5 DIBDRO CC[C@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001196820128 1049693162 /nfs/dbraw/zinc/69/31/62/1049693162.db2.gz YZTHEEBLOJPICU-KRWDZBQOSA-N 1 0 320.339 4.288 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4ccccc4N)cc3[nH+]c2c1 ZINC001206353515 1049719075 /nfs/dbraw/zinc/71/90/75/1049719075.db2.gz KYJWDGVSTAORBM-UHFFFAOYSA-N 1 0 300.365 4.296 20 5 DIBDRO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001206605676 1049768147 /nfs/dbraw/zinc/76/81/47/1049768147.db2.gz VQIRCEXCPPELEG-ZMSDIMECSA-N 1 0 304.434 4.332 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001207536450 1049908232 /nfs/dbraw/zinc/90/82/32/1049908232.db2.gz TVXPRLQMPBHFHE-RCBQFDQVSA-N 1 0 320.433 4.228 20 5 DIBDRO Cc1c(C[NH2+]Cc2c3ccccc3cc3ccccc32)cnn1C ZINC000156595820 1049933678 /nfs/dbraw/zinc/93/36/78/1049933678.db2.gz GOANVRIROGHSEW-UHFFFAOYSA-N 1 0 315.420 4.325 20 5 DIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000057364294 1050086205 /nfs/dbraw/zinc/08/62/05/1050086205.db2.gz ULBUGCASLSGGEG-GOSISDBHSA-N 1 0 313.401 4.090 20 5 DIBDRO Cc1occc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347958 1050140944 /nfs/dbraw/zinc/14/09/44/1050140944.db2.gz KOFNQIAEJAWRNE-KRWDZBQOSA-N 1 0 300.358 4.054 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC(F)(F)C1)CCCC2 ZINC000591348301 1050141903 /nfs/dbraw/zinc/14/19/03/1050141903.db2.gz OLJPRNKPQVFKHW-WFASDCNBSA-N 1 0 310.344 4.140 20 5 DIBDRO CC(C)n1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)n1 ZINC001210343472 1050212285 /nfs/dbraw/zinc/21/22/85/1050212285.db2.gz AHIQLYXSCHUMME-UHFFFAOYSA-N 1 0 317.396 4.491 20 5 DIBDRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000592394531 1050291669 /nfs/dbraw/zinc/29/16/69/1050291669.db2.gz PFJXJMHQIXJDJB-CYBMUJFWSA-N 1 0 314.360 4.464 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H](C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000592392491 1050292219 /nfs/dbraw/zinc/29/22/19/1050292219.db2.gz XWBLFVBMMXRVMZ-RISCZKNCSA-N 1 0 300.349 4.317 20 5 DIBDRO C[N@H+](Cc1csc2ccccc12)Cc1cccc([N+](=O)[O-])c1 ZINC000058591242 1050346752 /nfs/dbraw/zinc/34/67/52/1050346752.db2.gz ANAJSOSSRQCLLY-UHFFFAOYSA-N 1 0 312.394 4.442 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001210953043 1050428814 /nfs/dbraw/zinc/42/88/14/1050428814.db2.gz CZNIQJBCMICWPT-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO Cc1cccc(F)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000766215602 1050460416 /nfs/dbraw/zinc/46/04/16/1050460416.db2.gz IZBVTVRUTOUEHI-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000059037680 1050485109 /nfs/dbraw/zinc/48/51/09/1050485109.db2.gz ONQNXBYJIWTZQP-OAHLLOKOSA-N 1 0 316.426 4.474 20 5 DIBDRO C[NH2+]Cc1cccc(Nc2cc3cccnc3c3ncccc23)c1 ZINC001211139406 1050493534 /nfs/dbraw/zinc/49/35/34/1050493534.db2.gz CREVFZVWDWWKTA-UHFFFAOYSA-N 1 0 314.392 4.246 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1Cl ZINC000786580089 1050498493 /nfs/dbraw/zinc/49/84/93/1050498493.db2.gz XRHDJFGWPTUWSQ-UHFFFAOYSA-N 1 0 315.760 4.019 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594505316 1050521783 /nfs/dbraw/zinc/52/17/83/1050521783.db2.gz QJVZZENAIQSXPN-MRXNPFEDSA-N 1 0 314.410 4.094 20 5 DIBDRO COc1c(C)cccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594512619 1050525405 /nfs/dbraw/zinc/52/54/05/1050525405.db2.gz XNGLDRUPNXIRPZ-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000594516149 1050526421 /nfs/dbraw/zinc/52/64/21/1050526421.db2.gz UFLQIEBKCLKKEE-KSSFIOAISA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@@H]1CCCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000738227117 1050528908 /nfs/dbraw/zinc/52/89/08/1050528908.db2.gz RSSHRCAXUQLXFK-LLVKDONJSA-N 1 0 321.402 4.094 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001168405683 1050555239 /nfs/dbraw/zinc/55/52/39/1050555239.db2.gz ZPWQNYAIEYLEGB-KCPJHIHWSA-N 1 0 308.809 4.259 20 5 DIBDRO CCc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595005557 1050592236 /nfs/dbraw/zinc/59/22/36/1050592236.db2.gz ALBRJIAWUHRQTF-NSHDSACASA-N 1 0 320.414 4.078 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000595009608 1050593150 /nfs/dbraw/zinc/59/31/50/1050593150.db2.gz YPLKPUCTHQNWAP-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO CC[C@H]([NH2+]CCC1(CSC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595064466 1050597063 /nfs/dbraw/zinc/59/70/63/1050597063.db2.gz BIXYKKKGADHZHX-HNNXBMFYSA-N 1 0 308.447 4.169 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ccccc31)CCC2 ZINC000595076301 1050606836 /nfs/dbraw/zinc/60/68/36/1050606836.db2.gz HXJPFVYXYCHWTB-RTBURBONSA-N 1 0 308.381 4.249 20 5 DIBDRO COc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000595107183 1050606850 /nfs/dbraw/zinc/60/68/50/1050606850.db2.gz WJHXDEKZWTWGHN-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CSCC1(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595075017 1050606972 /nfs/dbraw/zinc/60/69/72/1050606972.db2.gz WNKOPVXPHCQQPS-MRXNPFEDSA-N 1 0 320.458 4.095 20 5 DIBDRO CSCC1(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000595075766 1050607649 /nfs/dbraw/zinc/60/76/49/1050607649.db2.gz YEQSWILCTIURSM-CYBMUJFWSA-N 1 0 308.447 4.087 20 5 DIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC(F)(F)C1 ZINC000787732523 1050619526 /nfs/dbraw/zinc/61/95/26/1050619526.db2.gz ZAYSMGMDDAMTIS-JTQLQIEISA-N 1 0 318.751 4.115 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000595418836 1050632758 /nfs/dbraw/zinc/63/27/58/1050632758.db2.gz TUCGCQMZSLYHHY-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]1(F)Cl ZINC000846032889 1050650857 /nfs/dbraw/zinc/65/08/57/1050650857.db2.gz NCCBWNMHFCAHIH-QWHCGFSZSA-N 1 0 321.179 4.043 20 5 DIBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595642698 1050657515 /nfs/dbraw/zinc/65/75/15/1050657515.db2.gz QULNVSALLIYFML-GFCCVEGCSA-N 1 0 317.389 4.164 20 5 DIBDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000227375622 1050666279 /nfs/dbraw/zinc/66/62/79/1050666279.db2.gz RKQPNAZVXLEDMK-YPMHNXCESA-N 1 0 314.838 4.012 20 5 DIBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000059810358 1050667983 /nfs/dbraw/zinc/66/79/83/1050667983.db2.gz FSZLCCOFTGVPMW-LJQANCHMSA-N 1 0 310.397 4.283 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846105059 1050672626 /nfs/dbraw/zinc/67/26/26/1050672626.db2.gz POBGKBOUKSNSOA-RQPMMQJISA-N 1 0 322.355 4.119 20 5 DIBDRO CC[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846186281 1050690530 /nfs/dbraw/zinc/69/05/30/1050690530.db2.gz AZNYJOHEVBMFNE-RRFJBIMHSA-N 1 0 314.788 4.340 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1F ZINC000846191972 1050693029 /nfs/dbraw/zinc/69/30/29/1050693029.db2.gz YNXNHAJEQBPOGJ-ZBEGNZNMSA-N 1 0 317.364 4.118 20 5 DIBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788502845 1050693223 /nfs/dbraw/zinc/69/32/23/1050693223.db2.gz AFFILEPSEJSBJJ-ACJLOTCBSA-N 1 0 313.401 4.225 20 5 DIBDRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788575107 1050708289 /nfs/dbraw/zinc/70/82/89/1050708289.db2.gz CYONAYXWHHWTQL-SJKOYZFVSA-N 1 0 314.385 4.131 20 5 DIBDRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788596679 1050710477 /nfs/dbraw/zinc/71/04/77/1050710477.db2.gz ZZKQMQZAPHZJFQ-KGLIPLIRSA-N 1 0 313.401 4.206 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)s1 ZINC000788693310 1050728088 /nfs/dbraw/zinc/72/80/88/1050728088.db2.gz RSJQIJXGLHCMAH-WDEREUQCSA-N 1 0 319.430 4.267 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000302744746 1050853110 /nfs/dbraw/zinc/85/31/10/1050853110.db2.gz OQXMKXUQZSKPOJ-LBPRGKRZSA-N 1 0 304.777 4.441 20 5 DIBDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000773038015 1051034132 /nfs/dbraw/zinc/03/41/32/1051034132.db2.gz YWDRPFUFEFWOHF-JTQLQIEISA-N 1 0 316.854 4.258 20 5 DIBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3cnccc3c2)c1F ZINC001215291909 1051152847 /nfs/dbraw/zinc/15/28/47/1051152847.db2.gz IGOLVRYWEPTQLZ-UHFFFAOYSA-N 1 0 301.252 4.165 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(C)(C)C ZINC001171523452 1051159620 /nfs/dbraw/zinc/15/96/20/1051159620.db2.gz OLJAEFVRQQIFAK-UHFFFAOYSA-N 1 0 308.422 4.250 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCCCCCC2)c([N+](=O)[O-])c1 ZINC001170306234 1051178263 /nfs/dbraw/zinc/17/82/63/1051178263.db2.gz SQYCQIKRNPKEIF-CQSZACIVSA-N 1 0 320.433 4.237 20 5 DIBDRO CCC[N@H+]([C@H](C)CC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170326657 1051185163 /nfs/dbraw/zinc/18/51/63/1051185163.db2.gz BHRNESOJOBRUHJ-KGLIPLIRSA-N 1 0 308.422 4.045 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170324673 1051185274 /nfs/dbraw/zinc/18/52/74/1051185274.db2.gz SANKHCSSIOOGSW-DYVFJYSZSA-N 1 0 320.433 4.093 20 5 DIBDRO CCC[N@H+]([C@@H](C)CC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170326656 1051185329 /nfs/dbraw/zinc/18/53/29/1051185329.db2.gz BHRNESOJOBRUHJ-KBPBESRZSA-N 1 0 308.422 4.045 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000792873549 1051220664 /nfs/dbraw/zinc/22/06/64/1051220664.db2.gz UJBAZFRZIGFOBY-UHFFFAOYSA-N 1 0 321.377 4.046 20 5 DIBDRO C[C@@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C ZINC001170426833 1051253824 /nfs/dbraw/zinc/25/38/24/1051253824.db2.gz YLBZQAKUODKZBY-HOCLYGCPSA-N 1 0 304.434 4.456 20 5 DIBDRO C[C@H](c1ccccc1)N(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000746115182 1051327421 /nfs/dbraw/zinc/32/74/21/1051327421.db2.gz OHJADUYQFXJGFL-CYBMUJFWSA-N 1 0 314.360 4.460 20 5 DIBDRO C[C@@H](c1ccccc1)N(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000746115183 1051328060 /nfs/dbraw/zinc/32/80/60/1051328060.db2.gz OHJADUYQFXJGFL-ZDUSSCGKSA-N 1 0 314.360 4.460 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC001168977492 1051475812 /nfs/dbraw/zinc/47/58/12/1051475812.db2.gz KGYSIXIXNXLHMN-PKFCDNJMSA-N 1 0 317.216 4.089 20 5 DIBDRO C[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006869 1051487113 /nfs/dbraw/zinc/48/71/13/1051487113.db2.gz JXVULWMVWKDHPI-LPHOPBHVSA-N 1 0 324.424 4.153 20 5 DIBDRO C[C@H](c1cccc2ccccc21)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169045787 1051496013 /nfs/dbraw/zinc/49/60/13/1051496013.db2.gz JZAIFCOMEQUNCX-VYDXJSESSA-N 1 0 312.413 4.278 20 5 DIBDRO CC(C)=CCC/C(C)=C/CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169138637 1051529557 /nfs/dbraw/zinc/52/95/57/1051529557.db2.gz RPZRKXJWQVHUDI-VGOFMYFVSA-N 1 0 315.417 4.303 20 5 DIBDRO CC1(C)CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172901135 1051551291 /nfs/dbraw/zinc/55/12/91/1051551291.db2.gz GZEIQZFQUZQOFO-HOTGVXAUSA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC13CCCCC3)CC2 ZINC001172901739 1051551828 /nfs/dbraw/zinc/55/18/28/1051551828.db2.gz JZZBPKLJSKUALQ-FUHWJXTLSA-N 1 0 314.429 4.155 20 5 DIBDRO C[C@@]1(F)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907471 1051553274 /nfs/dbraw/zinc/55/32/74/1051553274.db2.gz FHECJJHGUNJEKK-SJLPKXTDSA-N 1 0 320.408 4.056 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCC(F)(F)CC1)CC2 ZINC001172895983 1051569328 /nfs/dbraw/zinc/56/93/28/1051569328.db2.gz KHPDLMWNYANOMJ-CQSZACIVSA-N 1 0 324.371 4.010 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C3CCCC1CCC3)CC2 ZINC001172921683 1051571868 /nfs/dbraw/zinc/57/18/68/1051571868.db2.gz QUBFETSAHDYHKC-DAWZGUTISA-N 1 0 314.429 4.249 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CCCC1 ZINC001172913081 1051580015 /nfs/dbraw/zinc/58/00/15/1051580015.db2.gz TWFBHHHXLGRMTK-CXAGYDPISA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@@H]1CCCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910698 1051581307 /nfs/dbraw/zinc/58/13/07/1051581307.db2.gz OADHMFIUHDTRNR-RHSMWYFYSA-N 1 0 302.418 4.107 20 5 DIBDRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761507717 1051583857 /nfs/dbraw/zinc/58/38/57/1051583857.db2.gz UDLQBYFMQYHMCI-GFCCVEGCSA-N 1 0 304.777 4.441 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001169364175 1051589213 /nfs/dbraw/zinc/58/92/13/1051589213.db2.gz CHMALBLKSJFMLJ-FUHWJXTLSA-N 1 0 310.397 4.096 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C/c2ccccc2)cc1Cl ZINC000761531734 1051589507 /nfs/dbraw/zinc/58/95/07/1051589507.db2.gz JPRLWRIQIIJVGV-QPJJXVBHSA-N 1 0 302.761 4.051 20 5 DIBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)SC ZINC000761527206 1051590128 /nfs/dbraw/zinc/59/01/28/1051590128.db2.gz PXNBURCRNJKCEE-UHFFFAOYSA-N 1 0 316.854 4.260 20 5 DIBDRO CSCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761533494 1051592457 /nfs/dbraw/zinc/59/24/57/1051592457.db2.gz QZEUVCLQMMWAAR-UHFFFAOYSA-N 1 0 316.854 4.261 20 5 DIBDRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216089 1051632896 /nfs/dbraw/zinc/63/28/96/1051632896.db2.gz KGBYMBCSDVTWJP-HZPDHXFCSA-N 1 0 312.413 4.137 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001173216639 1051634939 /nfs/dbraw/zinc/63/49/39/1051634939.db2.gz DQQOVQZNRXLZHR-UGSOOPFHSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001173216962 1051634948 /nfs/dbraw/zinc/63/49/48/1051634948.db2.gz OFZBFSFCGWNHGI-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001173216299 1051635559 /nfs/dbraw/zinc/63/55/59/1051635559.db2.gz ILSOPAMVJNBVTN-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219922 1051636667 /nfs/dbraw/zinc/63/66/67/1051636667.db2.gz RGZYHNQXDBBPTP-CVEARBPZSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCc2ccccc2CC1 ZINC001173223954 1051637331 /nfs/dbraw/zinc/63/73/31/1051637331.db2.gz CFRBFJBOUQGCJP-HNNXBMFYSA-N 1 0 324.424 4.063 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ccoc2c1 ZINC001173221202 1051637374 /nfs/dbraw/zinc/63/73/74/1051637374.db2.gz LMEHHAPJPKVXFJ-CYBMUJFWSA-N 1 0 310.353 4.062 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001173228352 1051638609 /nfs/dbraw/zinc/63/86/09/1051638609.db2.gz VECAFMMPCBJTLV-LPHOPBHVSA-N 1 0 324.424 4.090 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001173229629 1051639194 /nfs/dbraw/zinc/63/91/94/1051639194.db2.gz OBKXTZLELGYDFT-GOEBONIOSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001173226319 1051639688 /nfs/dbraw/zinc/63/96/88/1051639688.db2.gz IDEILIOMEZKWEM-KXBFYZLASA-N 1 0 310.397 4.363 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001173235924 1051640905 /nfs/dbraw/zinc/64/09/05/1051640905.db2.gz WETUHXOZTGNKOG-CYBMUJFWSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC001173234524 1051641088 /nfs/dbraw/zinc/64/10/88/1051641088.db2.gz PDOXDWBGXASGKT-LPMFXHHGSA-N 1 0 310.397 4.364 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(c2ccccc2)C1 ZINC001173235932 1051641219 /nfs/dbraw/zinc/64/12/19/1051641219.db2.gz WFACXLHBFSNOKJ-NNGSBXSVSA-N 1 0 310.397 4.062 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)CC(F)(F)F ZINC001173231447 1051641498 /nfs/dbraw/zinc/64/14/98/1051641498.db2.gz ZHZASXNADOUSBP-NSHDSACASA-N 1 0 318.339 4.094 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001173231828 1051641697 /nfs/dbraw/zinc/64/16/97/1051641697.db2.gz NMKXNZWNHBGPTA-OIISXLGYSA-N 1 0 322.408 4.113 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)cc1Cl ZINC001173213830 1051650203 /nfs/dbraw/zinc/65/02/03/1051650203.db2.gz KZTOHFHIFVKOIJ-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)ccc1F ZINC001173214793 1051651438 /nfs/dbraw/zinc/65/14/38/1051651438.db2.gz QGTOYHCUXHEYBK-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001173214782 1051652130 /nfs/dbraw/zinc/65/21/30/1051652130.db2.gz QCNJDKYXZMABNJ-RYUDHWBXSA-N 1 0 320.339 4.155 20 5 DIBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001169581261 1051656258 /nfs/dbraw/zinc/65/62/58/1051656258.db2.gz DDFSQYHUQSXNIO-HZMBPMFUSA-N 1 0 316.323 4.234 20 5 DIBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001169581262 1051656418 /nfs/dbraw/zinc/65/64/18/1051656418.db2.gz DDFSQYHUQSXNIO-IINYFYTJSA-N 1 0 316.323 4.234 20 5 DIBDRO OCC1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000768241587 1051903797 /nfs/dbraw/zinc/90/37/97/1051903797.db2.gz VWRCXJZJQSOTIV-UHFFFAOYSA-N 1 0 305.421 4.197 20 5 DIBDRO O[C@@H]1CC[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000768236272 1051907492 /nfs/dbraw/zinc/90/74/92/1051907492.db2.gz FLEGLVIRBQXJPZ-CYBMUJFWSA-N 1 0 311.812 4.213 20 5 DIBDRO Cc1cc2cc3cc(C)c(Nc4cn[nH]c4)cc3[nH+]c2cc1N ZINC001174297302 1052075871 /nfs/dbraw/zinc/07/58/71/1052075871.db2.gz PPKRHUOBDGMJDJ-UHFFFAOYSA-N 1 0 303.369 4.054 20 5 DIBDRO C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1CCOC1 ZINC000769533382 1052076808 /nfs/dbraw/zinc/07/68/08/1052076808.db2.gz NPVRNHYORDATBV-MRXNPFEDSA-N 1 0 305.421 4.461 20 5 DIBDRO F[C@H]1CC[NH2+]C[C@@H]1OCc1c2ccccc2cc2ccccc21 ZINC001217767346 1052138075 /nfs/dbraw/zinc/13/80/75/1052138075.db2.gz QNIKOJJGMCTAAI-PMACEKPBSA-N 1 0 309.384 4.210 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@@H]1CCC[NH2+]CC1 ZINC001217776233 1052139823 /nfs/dbraw/zinc/13/98/23/1052139823.db2.gz FAFUASNRFJEBGS-OAHLLOKOSA-N 1 0 306.409 4.047 20 5 DIBDRO C[C@@H]1C[C@H](OCc2c3ccccc3nc3ccccc32)CC[NH2+]1 ZINC001217787508 1052141547 /nfs/dbraw/zinc/14/15/47/1052141547.db2.gz BBLWUXFPABFIAF-HUUCEWRRSA-N 1 0 306.409 4.045 20 5 DIBDRO Cc1cc2cc3cc(C)c(Nc4cncnc4)cc3[nH+]c2cc1N ZINC001174389190 1052146589 /nfs/dbraw/zinc/14/65/89/1052146589.db2.gz MBWASNKCLIYKDV-UHFFFAOYSA-N 1 0 315.380 4.121 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000494841950 1052147593 /nfs/dbraw/zinc/14/75/93/1052147593.db2.gz JGLQRMGZIDLPDE-UHFFFAOYSA-N 1 0 310.397 4.461 20 5 DIBDRO c1cc2ccc3ccc(CO[C@H]4CC[NH2+]C4)c4ccc(c1)c2c34 ZINC001217822804 1052147737 /nfs/dbraw/zinc/14/77/37/1052147737.db2.gz QKIZMECKQOLKIO-SFHVURJKSA-N 1 0 301.389 4.463 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000494848058 1052151004 /nfs/dbraw/zinc/15/10/04/1052151004.db2.gz RBJRDSKYRRMDPW-JECSTDCCSA-N 1 0 316.323 4.319 20 5 DIBDRO C[C@H]1CC[C@H](OCc2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001217908027 1052169218 /nfs/dbraw/zinc/16/92/18/1052169218.db2.gz HXHAVNZRUYMROK-GJZGRUSLSA-N 1 0 306.409 4.045 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@@H]1C[NH2+]CCC12CC2 ZINC001217911625 1052169372 /nfs/dbraw/zinc/16/93/72/1052169372.db2.gz FOCPAEORPQVZNO-HXUWFJFHSA-N 1 0 318.420 4.047 20 5 DIBDRO F[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001217945554 1052176819 /nfs/dbraw/zinc/17/68/19/1052176819.db2.gz DPMZSURBAYYDKM-PMACEKPBSA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001217984168 1052179519 /nfs/dbraw/zinc/17/95/19/1052179519.db2.gz DYSDNWIEQCSUAQ-KUHUBIRLSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H](Oc1c2ccccc2c(O)c2ccccc21)C1CC[NH2+]CC1 ZINC001218004069 1052183326 /nfs/dbraw/zinc/18/33/26/1052183326.db2.gz BMSZKEIIRBQGDF-CQSZACIVSA-N 1 0 321.420 4.466 20 5 DIBDRO C[C@@H](Oc1cccc2cc3ccccc3nc21)C1CC[NH2+]CC1 ZINC001218003231 1052184025 /nfs/dbraw/zinc/18/40/25/1052184025.db2.gz PXIZIXNRLCYZOC-CQSZACIVSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218025269 1052187039 /nfs/dbraw/zinc/18/70/39/1052187039.db2.gz SFQYAYCYXJEMPR-KSSFIOAISA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218042917 1052188690 /nfs/dbraw/zinc/18/86/90/1052188690.db2.gz AKDUMWAFHLFKQH-FZKQIMNGSA-N 1 0 307.393 4.075 20 5 DIBDRO C[C@H]1C[C@@H](Oc2c3ccccc3c(O)c3ccccc32)CC[NH2+]1 ZINC001218052127 1052190140 /nfs/dbraw/zinc/19/01/40/1052190140.db2.gz BBKMOZJKUZBQQR-KBPBESRZSA-N 1 0 307.393 4.218 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000495016135 1052197071 /nfs/dbraw/zinc/19/70/71/1052197071.db2.gz HFQVQOHXONCKJA-QWHCGFSZSA-N 1 0 312.360 4.461 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218106158 1052197941 /nfs/dbraw/zinc/19/79/41/1052197941.db2.gz KXOIHHHEGUPZQV-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2CC[C@@]23CC[NH2+]C3)c2ccccc12 ZINC001218114210 1052198907 /nfs/dbraw/zinc/19/89/07/1052198907.db2.gz ASFQIBTXMZSUBD-RXVVDRJESA-N 1 0 319.404 4.220 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144861 1052201980 /nfs/dbraw/zinc/20/19/80/1052201980.db2.gz CKMKVMMXLUVWOD-UIAACRFSSA-N 1 0 318.420 4.155 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218255419 1052214021 /nfs/dbraw/zinc/21/40/21/1052214021.db2.gz IINQORUGLMDXGN-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO CCC(=O)[C@H]1C[C@@H](Oc2ccc3cc4ccccc4cc3c2)C[NH2+]1 ZINC001218326767 1052225359 /nfs/dbraw/zinc/22/53/59/1052225359.db2.gz GFCIUSJFMDKZPD-WOJBJXKFSA-N 1 0 319.404 4.081 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2C[NH2+]CCC23CC3)c2ccccc12 ZINC001218405656 1052234878 /nfs/dbraw/zinc/23/48/78/1052234878.db2.gz PBPHMHKYGGJRFD-GOSISDBHSA-N 1 0 319.404 4.220 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4[C@@H]5CC[C@H]4[NH2+]C5)c3c2n1 ZINC001218450020 1052240233 /nfs/dbraw/zinc/24/02/33/1052240233.db2.gz UJWARVUTSNCNBL-CEQIKUNHSA-N 1 0 318.420 4.134 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000495427236 1052344820 /nfs/dbraw/zinc/34/48/20/1052344820.db2.gz QKJQLSNPEJCJHN-LLVKDONJSA-N 1 0 322.792 4.297 20 5 DIBDRO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000487951878 1052396637 /nfs/dbraw/zinc/39/66/37/1052396637.db2.gz CDULKDJNDDCLJA-CYBMUJFWSA-N 1 0 302.349 4.235 20 5 DIBDRO C[C@@H]([NH2+]C(C)(C)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000488063250 1052567964 /nfs/dbraw/zinc/56/79/64/1052567964.db2.gz BNCNTUJLEXJEAW-CQSZACIVSA-N 1 0 313.401 4.136 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OC12C=CC(c3ccccc31)c1ccccc12 ZINC001223849849 1052644512 /nfs/dbraw/zinc/64/45/12/1052644512.db2.gz GCLUTKBWUUASMT-YPHUNTSASA-N 1 0 320.456 4.057 20 5 DIBDRO CCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000916982076 1052677407 /nfs/dbraw/zinc/67/74/07/1052677407.db2.gz XAFNSCFRJXCWAX-UHFFFAOYSA-N 1 0 302.349 4.146 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000917053299 1052683117 /nfs/dbraw/zinc/68/31/17/1052683117.db2.gz ZQGBXLLNFLWDNH-ISTRZQFTSA-N 1 0 306.381 4.135 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000917053302 1052683533 /nfs/dbraw/zinc/68/35/33/1052683533.db2.gz ZQGBXLLNFLWDNH-VMGRFDJRSA-N 1 0 306.381 4.135 20 5 DIBDRO C[C@H](OCCC[N+](C)(C)C)c1c(Cl)ccc(F)c1Cl ZINC001224619789 1052710153 /nfs/dbraw/zinc/71/01/53/1052710153.db2.gz QPVIDFKULRNEDO-JTQLQIEISA-N 1 0 309.232 4.306 20 5 DIBDRO CC[C@H](OCCC[N+](C)(C)C)c1ccc(Br)cc1 ZINC001224623709 1052710700 /nfs/dbraw/zinc/71/07/00/1052710700.db2.gz PXWJZGKDGZMKCS-HNNXBMFYSA-N 1 0 315.275 4.013 20 5 DIBDRO CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CCCC1 ZINC000917466198 1052730573 /nfs/dbraw/zinc/73/05/73/1052730573.db2.gz YGBZETMBHGACEY-UHFFFAOYSA-N 1 0 321.402 4.094 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000194619479 1052792438 /nfs/dbraw/zinc/79/24/38/1052792438.db2.gz SYBHLYBQIIPSRX-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000556243062 1052825600 /nfs/dbraw/zinc/82/56/00/1052825600.db2.gz YYQICLQXRPBOPF-SNRMKQJTSA-N 1 0 324.424 4.309 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000498483277 1052840686 /nfs/dbraw/zinc/84/06/86/1052840686.db2.gz CVZMCGQLXQCSRK-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609288290 1052841735 /nfs/dbraw/zinc/84/17/35/1052841735.db2.gz OGESLRVWICCPDY-CABCVRRESA-N 1 0 306.406 4.052 20 5 DIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609288291 1052842430 /nfs/dbraw/zinc/84/24/30/1052842430.db2.gz OGESLRVWICCPDY-GJZGRUSLSA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000609288423 1052843374 /nfs/dbraw/zinc/84/33/74/1052843374.db2.gz URYQFEDOBNAMBK-SUZKBHRPSA-N 1 0 308.381 4.194 20 5 DIBDRO C[C@H](F)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000557040582 1052915673 /nfs/dbraw/zinc/91/56/73/1052915673.db2.gz BNHSXKOVTOUNHM-NSHDSACASA-N 1 0 308.378 4.161 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)c2ccccc12 ZINC001226690645 1052921962 /nfs/dbraw/zinc/92/19/62/1052921962.db2.gz POFDQJCAKWLNSJ-GFCCVEGCSA-N 1 0 323.254 4.076 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)c2ccccc12 ZINC001226690647 1052922233 /nfs/dbraw/zinc/92/22/33/1052922233.db2.gz POFDQJCAKWLNSJ-LBPRGKRZSA-N 1 0 323.254 4.076 20 5 DIBDRO O[C@H]1CCC[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000920182944 1052926164 /nfs/dbraw/zinc/92/61/64/1052926164.db2.gz WDVOEUWLOHCUOV-MSOLQXFVSA-N 1 0 305.421 4.386 20 5 DIBDRO O[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000920182947 1052926256 /nfs/dbraw/zinc/92/62/56/1052926256.db2.gz WDVOEUWLOHCUOV-ZWKOTPCHSA-N 1 0 305.421 4.386 20 5 DIBDRO CCCCCCC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001226780583 1052930019 /nfs/dbraw/zinc/93/00/19/1052930019.db2.gz PXOQZJZYRZTXBZ-INIZCTEOSA-N 1 0 306.470 4.313 20 5 DIBDRO CC[C@H]([NH2+]CCCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000195548127 1052975377 /nfs/dbraw/zinc/97/53/77/1052975377.db2.gz AQMCLOAMHQYSGN-SFHVURJKSA-N 1 0 320.433 4.375 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000609466625 1052979512 /nfs/dbraw/zinc/97/95/12/1052979512.db2.gz VFQFIMLYENKASH-UHFFFAOYSA-N 1 0 310.397 4.497 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000609705378 1052988551 /nfs/dbraw/zinc/98/85/51/1052988551.db2.gz XKYXTOONWBLSOX-AWEZNQCLSA-N 1 0 316.788 4.238 20 5 DIBDRO Cc1ccc(C[NH2+]CC(C)(C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000609826151 1052995140 /nfs/dbraw/zinc/99/51/40/1052995140.db2.gz WNPMDEJPUQSGFD-UHFFFAOYSA-N 1 0 316.376 4.110 20 5 DIBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000610002059 1053002246 /nfs/dbraw/zinc/00/22/46/1053002246.db2.gz ZRMQXQLALAIBIS-HIFRSBDPSA-N 1 0 306.406 4.004 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC000237660624 1053018635 /nfs/dbraw/zinc/01/86/35/1053018635.db2.gz ONJITRMCFZLPSQ-UHFFFAOYSA-N 1 0 316.788 4.417 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179696871 1053022784 /nfs/dbraw/zinc/02/27/84/1053022784.db2.gz AQYPJORLNYXWDB-KRWDZBQOSA-N 1 0 316.788 4.489 20 5 DIBDRO CC[N@H+](CCC(F)(F)F)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615834445 1053033402 /nfs/dbraw/zinc/03/34/02/1053033402.db2.gz UZHANKKZXIGQRZ-FMIVXFBMSA-N 1 0 316.323 4.272 20 5 DIBDRO CC[NH+]1CCC(Oc2cccc3cc4ccccc4nc32)CC1 ZINC001228175321 1053050317 /nfs/dbraw/zinc/05/03/17/1053050317.db2.gz CBVISJNFZBWHDS-UHFFFAOYSA-N 1 0 306.409 4.251 20 5 DIBDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000847083066 1053238868 /nfs/dbraw/zinc/23/88/68/1053238868.db2.gz MOLWZEURSUHCHU-JTQLQIEISA-N 1 0 316.323 4.038 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nc(C)cs1 ZINC001351988189 1053254462 /nfs/dbraw/zinc/25/44/62/1053254462.db2.gz WQKQZSCMNBKWNW-LWMSPQMPSA-N 1 0 317.414 4.114 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC001319768316 1053271929 /nfs/dbraw/zinc/27/19/29/1053271929.db2.gz XJWLVCJGZDKWKC-CQSZACIVSA-N 1 0 310.397 4.243 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001229378420 1053309971 /nfs/dbraw/zinc/30/99/71/1053309971.db2.gz WKCVKUYTHNEFCH-WDNDVIMCSA-N 1 0 324.808 4.031 20 5 DIBDRO CC(C)[N@H+](CCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001320747933 1053358716 /nfs/dbraw/zinc/35/87/16/1053358716.db2.gz CXEGMOZSSVKJAR-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@H](c1cccc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1)[NH+](C)C ZINC001229628704 1053368095 /nfs/dbraw/zinc/36/80/95/1053368095.db2.gz WHIBIXDAGDJXIJ-KGLIPLIRSA-N 1 0 314.385 4.357 20 5 DIBDRO C[C@H](c1ccccc1)c1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229684952 1053384344 /nfs/dbraw/zinc/38/43/44/1053384344.db2.gz LFYDCLFRGRMPNF-JKSUJKDBSA-O 1 0 314.449 4.018 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccsc1 ZINC000619754263 1053547964 /nfs/dbraw/zinc/54/79/64/1053547964.db2.gz VMELHZHQNKWAIU-CHWSQXEVSA-N 1 0 304.415 4.328 20 5 DIBDRO CC[NH+](CC)C[C@H](C)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001230768625 1053599181 /nfs/dbraw/zinc/59/91/81/1053599181.db2.gz MTFCAWXTABODEY-VIFPVBQESA-N 1 0 321.204 4.011 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Br)c2ccccc2c1 ZINC001231017951 1053652336 /nfs/dbraw/zinc/65/23/36/1053652336.db2.gz XLFZUDAEZFTUAK-LBPRGKRZSA-N 1 0 323.254 4.076 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000183530331 1053672294 /nfs/dbraw/zinc/67/22/94/1053672294.db2.gz XKNHKVVVNNCJOB-UHFFFAOYSA-N 1 0 320.339 4.206 20 5 DIBDRO C[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158921607 1053927748 /nfs/dbraw/zinc/92/77/48/1053927748.db2.gz SSXJNPLGTRPMEI-LBPRGKRZSA-N 1 0 317.414 4.093 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1cccc([N+](=O)[O-])c1 ZINC000081181376 1053991626 /nfs/dbraw/zinc/99/16/26/1053991626.db2.gz DLRNCIRPOHFQBB-GTNSWQLSSA-N 1 0 300.333 4.072 20 5 DIBDRO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)C1CC(F)(F)C1 ZINC001232218866 1053992447 /nfs/dbraw/zinc/99/24/47/1053992447.db2.gz NGAXDNFYUITAKX-UHFFFAOYSA-N 1 0 313.351 4.013 20 5 DIBDRO C[C@]1(F)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232217883 1053993046 /nfs/dbraw/zinc/99/30/46/1053993046.db2.gz BCPWWMZSGPRYRE-FQEVSTJZSA-N 1 0 323.415 4.497 20 5 DIBDRO C[C@@]1(F)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219055 1053993316 /nfs/dbraw/zinc/99/33/16/1053993316.db2.gz PVFZYPBWRGUVSB-LJQANCHMSA-N 1 0 309.388 4.107 20 5 DIBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232222813 1053996193 /nfs/dbraw/zinc/99/61/93/1053996193.db2.gz ZSCOCOCVOLEUBL-LSDHHAIUSA-N 1 0 305.425 4.403 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001200811797 1053997536 /nfs/dbraw/zinc/99/75/36/1053997536.db2.gz HFJFVEPUTIFWJK-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO CCC[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001330320901 1054035081 /nfs/dbraw/zinc/03/50/81/1054035081.db2.gz XRVYFDNUTVZYMB-ATGSNQNLSA-N 1 0 310.344 4.069 20 5 DIBDRO CC(C)(C)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(F)c1 ZINC001331230520 1054066835 /nfs/dbraw/zinc/06/68/35/1054066835.db2.gz XIOOYXJWYHERFA-OAHLLOKOSA-N 1 0 317.364 4.006 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000122864008 1054107693 /nfs/dbraw/zinc/10/76/93/1054107693.db2.gz LTRNRFYTFLHXOW-WCFLWFBJSA-N 1 0 316.323 4.367 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000848526946 1054126485 /nfs/dbraw/zinc/12/64/85/1054126485.db2.gz MNWJLWLKAKDJPH-RISCZKNCSA-N 1 0 302.399 4.303 20 5 DIBDRO Cc1[nH+]c2ccccc2c(N2Cc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001342208837 1054419668 /nfs/dbraw/zinc/41/96/68/1054419668.db2.gz AINJTQPSKHXERJ-UHFFFAOYSA-N 1 0 319.364 4.280 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000072744583 1054524920 /nfs/dbraw/zinc/52/49/20/1054524920.db2.gz FQEGJKDLRKSFDO-KRWDZBQOSA-N 1 0 320.433 4.013 20 5 DIBDRO c1cc2ccc3ccc(CN4CC[NH2+][C@H]5C[C@H]54)c4ccc(c1)c2c34 ZINC001235283287 1054697991 /nfs/dbraw/zinc/69/79/91/1054697991.db2.gz FMASOHJLYRDIGF-VQTJNVASSA-N 1 0 312.416 4.130 20 5 DIBDRO CC(C)(C)C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001473543790 1054736114 /nfs/dbraw/zinc/73/61/14/1054736114.db2.gz SJVULVXKZDHJQQ-CQSZACIVSA-N 1 0 305.422 4.027 20 5 DIBDRO CC(C)(C)C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC001473543789 1054737443 /nfs/dbraw/zinc/73/74/43/1054737443.db2.gz SJVULVXKZDHJQQ-AWEZNQCLSA-N 1 0 305.422 4.027 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090918676 1054737991 /nfs/dbraw/zinc/73/79/91/1054737991.db2.gz NIIZEYBHDKIYBT-UGSOOPFHSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918543 1054739079 /nfs/dbraw/zinc/73/90/79/1054739079.db2.gz CAFZSWVLEJLNOE-UGSOOPFHSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC2CCC1CC2 ZINC001474595136 1054835022 /nfs/dbraw/zinc/83/50/22/1054835022.db2.gz PTCCPMMPGZHYMK-MMIPBJDJSA-N 1 0 316.445 4.332 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC001168553537 1055569077 /nfs/dbraw/zinc/56/90/77/1055569077.db2.gz UBVCTQQJEQHYEN-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccccc1CC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001620777348 1055945025 /nfs/dbraw/zinc/94/50/25/1055945025.db2.gz RAUUWJULEUCBEH-UHFFFAOYSA-N 1 0 312.413 4.323 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC001617390255 1055945818 /nfs/dbraw/zinc/94/58/18/1055945818.db2.gz JWEQSBGLXWNLAD-KEYYUXOJSA-N 1 0 320.433 4.296 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)cc1 ZINC001620796307 1055975882 /nfs/dbraw/zinc/97/58/82/1055975882.db2.gz GVHDSONBBOXQBI-FOWTUZBSSA-N 1 0 310.397 4.139 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCSc1ccccc1 ZINC000084439772 1056000249 /nfs/dbraw/zinc/00/02/49/1056000249.db2.gz MGPFQBQSYVTKJH-UHFFFAOYSA-N 1 0 322.817 4.130 20 5 DIBDRO CC(C)[C@@H]1[C@@H](C(C)C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001621334725 1056038789 /nfs/dbraw/zinc/03/87/89/1056038789.db2.gz UVEZIHZKZBUCOB-GDBMZVCRSA-N 1 0 310.825 4.361 20 5 DIBDRO CSc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC001620822414 1056271577 /nfs/dbraw/zinc/27/15/77/1056271577.db2.gz DCGXGNOKGMXDAT-UHFFFAOYSA-N 1 0 320.414 4.022 20 5 DIBDRO Cc1ccc(CN(C)[C@@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001615187456 1056471820 /nfs/dbraw/zinc/47/18/20/1056471820.db2.gz HVEKGSGLVOJOPB-LBPRGKRZSA-N 1 0 320.339 4.374 20 5 DIBDRO Cc1c(C[N@H+](C2CC2)C2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001615195853 1056474580 /nfs/dbraw/zinc/47/45/80/1056474580.db2.gz YRBNSCRNYIZCLF-UHFFFAOYSA-N 1 0 302.418 4.446 20 5 DIBDRO c1cnc2c(c1)cc(-c1ccc3c(c1)CC[NH2+]C3)c1cccnc12 ZINC001240457073 1056520390 /nfs/dbraw/zinc/52/03/90/1056520390.db2.gz MLHMDUGJCPJIFE-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC001615600243 1056542132 /nfs/dbraw/zinc/54/21/32/1056542132.db2.gz HGXCGINHLSYPLW-HOCLYGCPSA-N 1 0 320.433 4.394 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC001615600241 1056542609 /nfs/dbraw/zinc/54/26/09/1056542609.db2.gz HGXCGINHLSYPLW-GOEBONIOSA-N 1 0 320.433 4.394 20 5 DIBDRO CCCCC[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001616331957 1056635310 /nfs/dbraw/zinc/63/53/10/1056635310.db2.gz MZLUSUCNWUADOR-HNNXBMFYSA-N 1 0 306.406 4.018 20 5 DIBDRO CCCCC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001616646840 1056693612 /nfs/dbraw/zinc/69/36/12/1056693612.db2.gz UBLWXGIUODPDHC-IAGOWNOFSA-N 1 0 322.449 4.213 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@H]2CCCC2(F)F)C2CC2)cc1 ZINC001616891995 1056733600 /nfs/dbraw/zinc/73/36/00/1056733600.db2.gz LMSDYYKSDSTOGF-CQSZACIVSA-N 1 0 324.371 4.385 20 5 DIBDRO C/C(=C/c1ccccc1)CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001617183082 1056789427 /nfs/dbraw/zinc/78/94/27/1056789427.db2.gz QRVPUPXTTPRDLW-UVTDQMKNSA-N 1 0 314.360 4.269 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000078995824 1056901066 /nfs/dbraw/zinc/90/10/66/1056901066.db2.gz XXRGGTYLRNRFAR-ZIAGYGMSSA-N 1 0 314.385 4.405 20 5 DIBDRO c1ccc2c(c1)cc(-c1cc3c(nn1)CC[NH2+]C3)c1ccccc21 ZINC001241131896 1056914209 /nfs/dbraw/zinc/91/42/09/1056914209.db2.gz HDMOYBMEPDXROP-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO c1ccc2c(c1)cc(-c1ncnc3c1C[NH2+]CC3)c1ccccc21 ZINC001241131623 1056914505 /nfs/dbraw/zinc/91/45/05/1056914505.db2.gz FALMYOFDWAKWIB-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCCCC12CCCC2 ZINC001618114137 1056923880 /nfs/dbraw/zinc/92/38/80/1056923880.db2.gz IGIVLFWQVARRJB-INIZCTEOSA-N 1 0 306.381 4.327 20 5 DIBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093315360 1057036470 /nfs/dbraw/zinc/03/64/70/1057036470.db2.gz UWGSTIYXRNIHQY-MRZGDXHCSA-N 1 0 312.369 4.007 20 5 DIBDRO CC[C@H](NCc1csc([N+](=O)[O-])c1)c1cc(F)ccc1OC ZINC000922620788 1057040541 /nfs/dbraw/zinc/04/05/41/1057040541.db2.gz XZIKDOLKBCBVTJ-ZDUSSCGKSA-N 1 0 324.377 4.045 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000126021521 1057087497 /nfs/dbraw/zinc/08/74/97/1057087497.db2.gz WWGWZKZUPJUDEV-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000126618151 1057097365 /nfs/dbraw/zinc/09/73/65/1057097365.db2.gz ZCWUBUITTITSAY-UHFFFAOYSA-N 1 0 304.415 4.244 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000226760905 1057137747 /nfs/dbraw/zinc/13/77/47/1057137747.db2.gz IRNHFLRCBKDOOF-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143283 1057151757 /nfs/dbraw/zinc/15/17/57/1057151757.db2.gz RXUARDRUKXHIDD-DGCLKSJQSA-N 1 0 314.838 4.012 20 5 DIBDRO C[C@H](NCc1ncc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000173393698 1057300255 /nfs/dbraw/zinc/30/02/55/1057300255.db2.gz KCQCEARFPMNFNK-ZDUSSCGKSA-N 1 0 323.352 4.101 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000041632240 1057355595 /nfs/dbraw/zinc/35/55/95/1057355595.db2.gz DKKAWCKVRSYEJZ-GFCCVEGCSA-N 1 0 304.415 4.112 20 5 DIBDRO CS[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611039368 1057580525 /nfs/dbraw/zinc/58/05/25/1057580525.db2.gz VBVDFFDJXKTUIK-LLVKDONJSA-N 1 0 322.455 4.164 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000611299972 1057590914 /nfs/dbraw/zinc/59/09/14/1057590914.db2.gz UGRCVQHPUHWAHH-KSSFIOAISA-N 1 0 313.401 4.490 20 5 DIBDRO CC1CC[NH+](C2CCC(Nc3sccc3[N+](=O)[O-])CC2)CC1 ZINC000611414749 1057599087 /nfs/dbraw/zinc/59/90/87/1057599087.db2.gz USLUBIQQUAIASY-UHFFFAOYSA-N 1 0 323.462 4.111 20 5 DIBDRO Cc1c(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000611554969 1057606345 /nfs/dbraw/zinc/60/63/45/1057606345.db2.gz DOUNWMPQPOGZHC-MFKMUULPSA-N 1 0 316.323 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CC1CC1)C1CCCCC1 ZINC000727832684 1057676738 /nfs/dbraw/zinc/67/67/38/1057676738.db2.gz XHOGZKXJCKUJKZ-UHFFFAOYSA-N 1 0 306.381 4.279 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000732819870 1057788000 /nfs/dbraw/zinc/78/80/00/1057788000.db2.gz BTAYFAIWZXAOSD-IBGZPJMESA-N 1 0 310.397 4.453 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001559488430 1059261908 /nfs/dbraw/zinc/26/19/08/1059261908.db2.gz HXNVEOKUPUGDKI-GOSISDBHSA-N 1 0 302.418 4.448 20 5 DIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC001559497933 1059277679 /nfs/dbraw/zinc/27/76/79/1059277679.db2.gz QPIZHWYCCGWTII-IBGZPJMESA-N 1 0 324.424 4.364 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001559527914 1059325860 /nfs/dbraw/zinc/32/58/60/1059325860.db2.gz QDNRPMWFDQJIOK-LJQANCHMSA-N 1 0 324.424 4.092 20 5 DIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001559535467 1059333153 /nfs/dbraw/zinc/33/31/53/1059333153.db2.gz QWBUDQAZZIGIBB-LJQANCHMSA-N 1 0 312.413 4.466 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC001559559955 1059372948 /nfs/dbraw/zinc/37/29/48/1059372948.db2.gz BCJCEPLRAYZYNE-KGLIPLIRSA-N 1 0 306.406 4.002 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CCCC3)CC2)c(F)c1 ZINC001559577112 1059407846 /nfs/dbraw/zinc/40/78/46/1059407846.db2.gz XFVUJTGSEGZUCM-UHFFFAOYSA-N 1 0 306.381 4.136 20 5 DIBDRO C[C@H]1CCC[C@H](CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001559595112 1059429238 /nfs/dbraw/zinc/42/92/38/1059429238.db2.gz YSZIULCOKWAMOO-LSDHHAIUSA-N 1 0 302.418 4.169 20 5 DIBDRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC001559632545 1059461349 /nfs/dbraw/zinc/46/13/49/1059461349.db2.gz JZWODIFXRJDVGH-SJORKVTESA-N 1 0 320.433 4.010 20 5 DIBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001559673642 1059497956 /nfs/dbraw/zinc/49/79/56/1059497956.db2.gz OPEZJXFOXXJVBK-NUEKZKHPSA-N 1 0 318.417 4.004 20 5 DIBDRO Cc1ccc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001559686983 1059515358 /nfs/dbraw/zinc/51/53/58/1059515358.db2.gz VTHXOHHVXQYGDY-MRXNPFEDSA-N 1 0 312.413 4.495 20 5 DIBDRO CC(C)(C)C[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC001559717795 1059546133 /nfs/dbraw/zinc/54/61/33/1059546133.db2.gz XJUUNEFDESNKJO-MRXNPFEDSA-N 1 0 322.449 4.022 20 5 DIBDRO [NH3+]CCCCc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247688073 1059589752 /nfs/dbraw/zinc/58/97/52/1059589752.db2.gz LRZLVRWATAEZGS-UHFFFAOYSA-N 1 0 317.392 4.324 20 5 DIBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001559797584 1059633630 /nfs/dbraw/zinc/63/36/30/1059633630.db2.gz UNAPKMMEJJRWSI-LPHOPBHVSA-N 1 0 324.424 4.324 20 5 DIBDRO CCCC1CCC([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001559807993 1059643909 /nfs/dbraw/zinc/64/39/09/1059643909.db2.gz XUNBVYKRCHPWOF-UHFFFAOYSA-N 1 0 320.433 4.394 20 5 DIBDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC001559811548 1059646117 /nfs/dbraw/zinc/64/61/17/1059646117.db2.gz LKOVEMBRAQAMKY-BQGCOEIASA-N 1 0 320.433 4.085 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)cc1 ZINC001559848789 1059674750 /nfs/dbraw/zinc/67/47/50/1059674750.db2.gz CDRVVVJIUWDBSY-PXNSSMCTSA-N 1 0 322.408 4.462 20 5 DIBDRO CC(C)CC1(C)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001559884198 1059703823 /nfs/dbraw/zinc/70/38/23/1059703823.db2.gz NQDYAQAFKKYSGX-UHFFFAOYSA-N 1 0 320.433 4.122 20 5 DIBDRO Cc1ccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3C)CCC2)cc1 ZINC001559966566 1059773009 /nfs/dbraw/zinc/77/30/09/1059773009.db2.gz DTOMGMXYXSIVNT-UHFFFAOYSA-N 1 0 310.397 4.381 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC001559982052 1059788124 /nfs/dbraw/zinc/78/81/24/1059788124.db2.gz GZBIGRVWZFCIGD-CQSZACIVSA-N 1 0 314.385 4.437 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001559990661 1059797313 /nfs/dbraw/zinc/79/73/13/1059797313.db2.gz VDASEEQSWJHHDQ-OAHLLOKOSA-N 1 0 324.424 4.492 20 5 DIBDRO CCCCC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560017501 1059824414 /nfs/dbraw/zinc/82/44/14/1059824414.db2.gz LQICVWPKSGFHIZ-AEFFLSMTSA-N 1 0 320.433 4.063 20 5 DIBDRO C/C=C/C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001560041650 1059858735 /nfs/dbraw/zinc/85/87/35/1059858735.db2.gz SRUIREGZHSSXKP-IBUXWKBASA-N 1 0 308.809 4.426 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)C1CCCCC1 ZINC001560058114 1059874820 /nfs/dbraw/zinc/87/48/20/1059874820.db2.gz KYKGXVBACHCIGM-AWEZNQCLSA-N 1 0 320.433 4.252 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccccc1Cl ZINC001560248906 1060013684 /nfs/dbraw/zinc/01/36/84/1060013684.db2.gz LFKYMJRAOQXASG-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC001560319288 1060106981 /nfs/dbraw/zinc/10/69/81/1060106981.db2.gz YKRUGBBQUWJXOS-ZBFHGGJFSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC001560357057 1060142942 /nfs/dbraw/zinc/14/29/42/1060142942.db2.gz DEQYWELPVNDRPW-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC001560359200 1060146185 /nfs/dbraw/zinc/14/61/85/1060146185.db2.gz FEKGEMHQJCCZNQ-IAGOWNOFSA-N 1 0 318.417 4.052 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC001560427372 1060213515 /nfs/dbraw/zinc/21/35/15/1060213515.db2.gz YAURVHMGGRBLCJ-HXUWFJFHSA-N 1 0 324.424 4.287 20 5 DIBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001560460850 1060253278 /nfs/dbraw/zinc/25/32/78/1060253278.db2.gz BHKJUKATVOVGFB-GXFFZTMASA-N 1 0 316.323 4.282 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001560519062 1060317041 /nfs/dbraw/zinc/31/70/41/1060317041.db2.gz QTIKNYDZIKMIAV-SHTZXODSSA-N 1 0 320.433 4.154 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC001560541427 1060347326 /nfs/dbraw/zinc/34/73/26/1060347326.db2.gz VZRWXTWNXRIYJB-HXUWFJFHSA-N 1 0 324.424 4.361 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC001560607643 1060422578 /nfs/dbraw/zinc/42/25/78/1060422578.db2.gz KRWZQORTDROMEG-OCCSQVGLSA-N 1 0 308.447 4.092 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2c1CCC2 ZINC001560682816 1060525771 /nfs/dbraw/zinc/52/57/71/1060525771.db2.gz RQRNLIVXWXDDJD-UHFFFAOYSA-N 1 0 324.424 4.494 20 5 DIBDRO CC[C@H]1CCC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001560697980 1060549000 /nfs/dbraw/zinc/54/90/00/1060549000.db2.gz WSDHJOFHVAEBDZ-LSDHHAIUSA-N 1 0 302.418 4.169 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC001560711672 1060566834 /nfs/dbraw/zinc/56/68/34/1060566834.db2.gz QFAUNGPOOIBOFA-OAHLLOKOSA-N 1 0 310.825 4.349 20 5 DIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001560715444 1060572919 /nfs/dbraw/zinc/57/29/19/1060572919.db2.gz IKYAFKPDDIMSFZ-GHMZBOCLSA-N 1 0 316.323 4.092 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccccc1 ZINC001560736181 1060603643 /nfs/dbraw/zinc/60/36/43/1060603643.db2.gz NMBPFGAAODFAOP-CVEARBPZSA-N 1 0 312.413 4.309 20 5 DIBDRO C[C@@H](CC1CCCCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001560799289 1060661709 /nfs/dbraw/zinc/66/17/09/1060661709.db2.gz AMSICHQBRSPGHS-LBPRGKRZSA-N 1 0 317.389 4.185 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)cc1 ZINC001560860639 1060717230 /nfs/dbraw/zinc/71/72/30/1060717230.db2.gz TXXMDNKYLUMBSO-IBGZPJMESA-N 1 0 322.408 4.365 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC001560937567 1060802322 /nfs/dbraw/zinc/80/23/22/1060802322.db2.gz HYIMTSLHLBKCIV-MRXNPFEDSA-N 1 0 302.418 4.224 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC001560961366 1060827060 /nfs/dbraw/zinc/82/70/60/1060827060.db2.gz NMYVIAYEFZZSJW-BSWAZPDLSA-N 1 0 320.408 4.176 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001560967342 1060833646 /nfs/dbraw/zinc/83/36/46/1060833646.db2.gz DVPJAHDVLCBWBO-UHFFFAOYSA-N 1 0 320.767 4.409 20 5 DIBDRO Cc1ccc(CC[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC001561026343 1060882136 /nfs/dbraw/zinc/88/21/36/1060882136.db2.gz BASFLBXDLUETAI-MRXNPFEDSA-N 1 0 312.413 4.147 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-] ZINC001561027101 1060883328 /nfs/dbraw/zinc/88/33/28/1060883328.db2.gz VUFADKWRIGKPKF-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(F)(C2CC2)CC1 ZINC001561033035 1060886682 /nfs/dbraw/zinc/88/66/82/1060886682.db2.gz AMLQKOIGQGGRGW-KAMYIIQDSA-N 1 0 318.392 4.212 20 5 DIBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001473249735 1061028847 /nfs/dbraw/zinc/02/88/47/1061028847.db2.gz QTLWIFSQQVUEOJ-UHFFFAOYSA-N 1 0 306.406 4.017 20 5 DIBDRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001462210509 1061030005 /nfs/dbraw/zinc/03/00/05/1061030005.db2.gz KXQAFVILXPHQJF-KMFMINBZSA-N 1 0 302.418 4.084 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC(C)(C)C1 ZINC001462220109 1061035068 /nfs/dbraw/zinc/03/50/68/1061035068.db2.gz NYIVNTDHLVSWHW-OAHLLOKOSA-N 1 0 304.434 4.286 20 5 DIBDRO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001462218799 1061035528 /nfs/dbraw/zinc/03/55/28/1061035528.db2.gz GRKWOPPNWBMUFJ-NVXWUHKLSA-N 1 0 302.418 4.062 20 5 DIBDRO CCC1(CC)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCS1 ZINC001473360341 1061111739 /nfs/dbraw/zinc/11/17/39/1061111739.db2.gz JTXBEQIIWJGQLT-UHFFFAOYSA-N 1 0 308.447 4.011 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001462337381 1061115938 /nfs/dbraw/zinc/11/59/38/1061115938.db2.gz BXJWUJQCIAUKRS-SHRNQRGKSA-N 1 0 300.402 4.120 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC001473391253 1061132020 /nfs/dbraw/zinc/13/20/20/1061132020.db2.gz NABOHGXDEYUDFZ-AZUAARDMSA-N 1 0 324.424 4.138 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(Cl)c1 ZINC001473415900 1061147704 /nfs/dbraw/zinc/14/77/04/1061147704.db2.gz GFICWCBIBNVPLS-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CC1CC1)CC1CCC1 ZINC001473424290 1061153940 /nfs/dbraw/zinc/15/39/40/1061153940.db2.gz RLKWWEYKDJEDEA-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO CC[C@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001462416648 1061159936 /nfs/dbraw/zinc/15/99/36/1061159936.db2.gz RYJWPQRJDVPFHJ-VIFPVBQESA-N 1 0 305.205 4.427 20 5 DIBDRO C[C@@H]1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC001462419649 1061162469 /nfs/dbraw/zinc/16/24/69/1061162469.db2.gz ZXGOZMINABIXFF-RYUDHWBXSA-N 1 0 310.825 4.410 20 5 DIBDRO C[C@H]1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)C1 ZINC001462419651 1061163001 /nfs/dbraw/zinc/16/30/01/1061163001.db2.gz ZXGOZMINABIXFF-VXGBXAGGSA-N 1 0 310.825 4.410 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCC(F)CC1 ZINC001462479946 1061202095 /nfs/dbraw/zinc/20/20/95/1061202095.db2.gz PKPFUJVYEWGCSR-PKSQDBQZSA-N 1 0 314.788 4.255 20 5 DIBDRO CC(C)CC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001473523466 1061221478 /nfs/dbraw/zinc/22/14/78/1061221478.db2.gz SKVNNHFIYVXILI-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO C=C/C=C\CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001462559949 1061261929 /nfs/dbraw/zinc/26/19/29/1061261929.db2.gz WVXAFEYXHUBXNM-OEQZANGBSA-N 1 0 300.402 4.028 20 5 DIBDRO Cc1ccc2c(c1)C[N@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC001473624274 1061299839 /nfs/dbraw/zinc/29/98/39/1061299839.db2.gz RXZDJFKBJJZWGP-HNNXBMFYSA-N 1 0 310.397 4.331 20 5 DIBDRO Cc1c(C[N@@H+]2CCCC3(CCCC3)CC2)cccc1[N+](=O)[O-] ZINC001473637515 1061308812 /nfs/dbraw/zinc/30/88/12/1061308812.db2.gz REDBFKAWZHTYMB-UHFFFAOYSA-N 1 0 302.418 4.450 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC001473662414 1061323329 /nfs/dbraw/zinc/32/33/29/1061323329.db2.gz BJENOMTYVRFKOT-MRXNPFEDSA-N 1 0 306.381 4.279 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC001473663683 1061325355 /nfs/dbraw/zinc/32/53/55/1061325355.db2.gz MELJNANPEAJAHE-INIZCTEOSA-N 1 0 318.417 4.148 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001473706064 1061357230 /nfs/dbraw/zinc/35/72/30/1061357230.db2.gz HNYVOYRDWXDIMU-QGZVFWFLSA-N 1 0 302.349 4.149 20 5 DIBDRO CCC[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001473877907 1061447269 /nfs/dbraw/zinc/44/72/69/1061447269.db2.gz LMKIKVPLMCPVGD-LJQANCHMSA-N 1 0 312.413 4.442 20 5 DIBDRO CCC[C@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC001473877870 1061448298 /nfs/dbraw/zinc/44/82/98/1061448298.db2.gz LDYYRCNEOKONPI-INIZCTEOSA-N 1 0 304.415 4.461 20 5 DIBDRO CCC(CC)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001458082039 1061562651 /nfs/dbraw/zinc/56/26/51/1061562651.db2.gz GRXKMDRWHIQYRV-MRXNPFEDSA-N 1 0 323.412 4.046 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc3cc[nH]c3c2)cc1 ZINC001474032196 1061574315 /nfs/dbraw/zinc/57/43/15/1061574315.db2.gz CQSGJQDBHMOYBS-UHFFFAOYSA-N 1 0 323.396 4.189 20 5 DIBDRO Cc1ccc(C[NH2+]CCc2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC001474042394 1061589404 /nfs/dbraw/zinc/58/94/04/1061589404.db2.gz HMHISXSLFTXVKW-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H](SC)C1)c1cccc([N+](=O)[O-])c1 ZINC001474072164 1061618210 /nfs/dbraw/zinc/61/82/10/1061618210.db2.gz NJVCAKAAJKPDRS-VNQPRFMTSA-N 1 0 308.447 4.310 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CC(c2ccccc2)C1 ZINC001474122398 1061671867 /nfs/dbraw/zinc/67/18/67/1061671867.db2.gz BRRJUWFHJPKWOT-UHFFFAOYSA-N 1 0 324.424 4.495 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC001474129064 1061674657 /nfs/dbraw/zinc/67/46/57/1061674657.db2.gz RYBJJOUJUALXDA-CQSZACIVSA-N 1 0 312.413 4.495 20 5 DIBDRO CC[C@H](C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001474203857 1061756409 /nfs/dbraw/zinc/75/64/09/1061756409.db2.gz WBONADLTLLHYCB-ZDUSSCGKSA-N 1 0 302.374 4.381 20 5 DIBDRO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001474256892 1061825878 /nfs/dbraw/zinc/82/58/78/1061825878.db2.gz YPXZZUXQDGNTOT-IHVVCDCBSA-N 1 0 300.333 4.098 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001474265931 1061833779 /nfs/dbraw/zinc/83/37/79/1061833779.db2.gz ICISMIOFILBRPO-CQSZACIVSA-N 1 0 310.397 4.324 20 5 DIBDRO C[C@@H](C[NH2+]Cc1cnc2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC001474282809 1061850479 /nfs/dbraw/zinc/85/04/79/1061850479.db2.gz FAGXJEYMDZSDTP-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001474413018 1062078422 /nfs/dbraw/zinc/07/84/22/1062078422.db2.gz QMXQGHOZNMYMGJ-LJQANCHMSA-N 1 0 310.397 4.331 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(F)cc1 ZINC001474414965 1062084703 /nfs/dbraw/zinc/08/47/03/1062084703.db2.gz JMEAHWPDSSLNPO-GXDHUFHOSA-N 1 0 314.360 4.269 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001459365056 1062114809 /nfs/dbraw/zinc/11/48/09/1062114809.db2.gz NZDIKUCYUCDSER-AWEZNQCLSA-N 1 0 316.788 4.238 20 5 DIBDRO CCC[N@H+]([C@H](C)CC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476362 1062122350 /nfs/dbraw/zinc/12/23/50/1062122350.db2.gz OKQHTDISWCUIOV-OAHLLOKOSA-N 1 0 319.449 4.074 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC1CCCCC1 ZINC001459404158 1062130848 /nfs/dbraw/zinc/13/08/48/1062130848.db2.gz INLBENOIRWNLBN-UHFFFAOYSA-N 1 0 306.406 4.006 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C1CC1 ZINC001254536757 1062163244 /nfs/dbraw/zinc/16/32/44/1062163244.db2.gz SFCKXMONFGAPCT-CQSZACIVSA-N 1 0 310.397 4.193 20 5 DIBDRO Cc1cc(F)cc(C)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537536 1062163944 /nfs/dbraw/zinc/16/39/44/1062163944.db2.gz FLXCYZMCNDYMGD-AWEZNQCLSA-N 1 0 316.376 4.072 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(Cl)c1F ZINC001254536826 1062163967 /nfs/dbraw/zinc/16/39/67/1062163967.db2.gz UHUPOVDTGIRHAQ-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2ccccc21 ZINC001254533328 1062164880 /nfs/dbraw/zinc/16/48/80/1062164880.db2.gz JWDXEALBZSAIBH-HNNXBMFYSA-N 1 0 320.392 4.469 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC001254537968 1062164966 /nfs/dbraw/zinc/16/49/66/1062164966.db2.gz KZDQHUXXRRSRLO-ZDUSSCGKSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C(F)F ZINC001254531609 1062165279 /nfs/dbraw/zinc/16/52/79/1062165279.db2.gz FMOFETORHSIIFQ-LBPRGKRZSA-N 1 0 320.339 4.253 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])C1CCCCCC1 ZINC001254539890 1062167157 /nfs/dbraw/zinc/16/71/57/1062167157.db2.gz LJMFFKNMGITEKM-ZDUSSCGKSA-N 1 0 303.406 4.063 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001254542765 1062169904 /nfs/dbraw/zinc/16/99/04/1062169904.db2.gz ASVQOXPAPJUUKF-SWLSCSKDSA-N 1 0 324.371 4.083 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254543585 1062170828 /nfs/dbraw/zinc/17/08/28/1062170828.db2.gz UDVLOWAPSLXNTE-HZPDHXFCSA-N 1 0 312.413 4.493 20 5 DIBDRO CC(C)[N@H+](Cc1ccccc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550541 1062174240 /nfs/dbraw/zinc/17/42/40/1062174240.db2.gz LNTKDJPHVZKXSS-MRXNPFEDSA-N 1 0 312.413 4.436 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001254550550 1062174400 /nfs/dbraw/zinc/17/44/00/1062174400.db2.gz LREDUEPWZWSOHO-CABCVRRESA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1sccc1Cl ZINC001254548217 1062174489 /nfs/dbraw/zinc/17/44/89/1062174489.db2.gz LLGLEIJTMYFMSF-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001254559757 1062178738 /nfs/dbraw/zinc/17/87/38/1062178738.db2.gz MKHCFLYIPILYSN-INMHGKMJSA-N 1 0 302.418 4.038 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001254559219 1062179034 /nfs/dbraw/zinc/17/90/34/1062179034.db2.gz JTMXFHPVUKBITD-HLLBOEOZSA-N 1 0 302.418 4.180 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001254562395 1062179535 /nfs/dbraw/zinc/17/95/35/1062179535.db2.gz LNKOCDQVBGEQOO-FUHWJXTLSA-N 1 0 324.424 4.090 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cccs1 ZINC001254562613 1062180342 /nfs/dbraw/zinc/18/03/42/1062180342.db2.gz OCHTVAIYQBFSKY-CJNGLKHVSA-N 1 0 316.426 4.424 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1ccccc1 ZINC001254562858 1062180369 /nfs/dbraw/zinc/18/03/69/1062180369.db2.gz PWLWXZYWCCIZBF-MRXNPFEDSA-N 1 0 312.413 4.090 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001254568463 1062183781 /nfs/dbraw/zinc/18/37/81/1062183781.db2.gz ZVDJBOYXZXPUHA-OIISXLGYSA-N 1 0 322.408 4.113 20 5 DIBDRO CC(C)[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254576811 1062185420 /nfs/dbraw/zinc/18/54/20/1062185420.db2.gz ZUZXNNACVUWKMX-IEBWSBKVSA-N 1 0 310.397 4.049 20 5 DIBDRO CCC[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254572639 1062186871 /nfs/dbraw/zinc/18/68/71/1062186871.db2.gz RGGMAPFLZFSWBS-GOEBONIOSA-N 1 0 316.426 4.255 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001254582754 1062188746 /nfs/dbraw/zinc/18/87/46/1062188746.db2.gz XBLDMMMXPBAQOH-KBXCAEBGSA-N 1 0 310.397 4.030 20 5 DIBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581552 1062189130 /nfs/dbraw/zinc/18/91/30/1062189130.db2.gz OESNTOHUKTUEKY-YOEHRIQHSA-N 1 0 310.397 4.030 20 5 DIBDRO CC(C)([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254585551 1062190425 /nfs/dbraw/zinc/19/04/25/1062190425.db2.gz MGNNWEXINJBOGP-INIZCTEOSA-N 1 0 302.418 4.011 20 5 DIBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254586541 1062190477 /nfs/dbraw/zinc/19/04/77/1062190477.db2.gz LLAFNPUBEZQOMV-YOEHRIQHSA-N 1 0 310.397 4.030 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCCc3ccccc31)C2 ZINC001254589865 1062192066 /nfs/dbraw/zinc/19/20/66/1062192066.db2.gz SSZKDIKOWORWAA-FXAWDEMLSA-N 1 0 322.408 4.119 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(C)c1C ZINC001254590129 1062192290 /nfs/dbraw/zinc/19/22/90/1062192290.db2.gz VBERHLXDQKZOQN-FXAWDEMLSA-N 1 0 324.424 4.420 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC001254590649 1062193028 /nfs/dbraw/zinc/19/30/28/1062193028.db2.gz YHCOVVRJIOFKAQ-FXAWDEMLSA-N 1 0 322.408 4.038 20 5 DIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595716 1062194496 /nfs/dbraw/zinc/19/44/96/1062194496.db2.gz YRVUYKXPTMESOS-AZUAARDMSA-N 1 0 322.408 4.208 20 5 DIBDRO CC(C)(C)[N@H+](Cc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600677 1062196180 /nfs/dbraw/zinc/19/61/80/1062196180.db2.gz UZLBGCMNLVMUFQ-IBGZPJMESA-N 1 0 324.424 4.363 20 5 DIBDRO CC[C@H](c1ccccc1)[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602387 1062196743 /nfs/dbraw/zinc/19/67/43/1062196743.db2.gz FGBSQTFLHZISBO-RBUKOAKNSA-N 1 0 310.397 4.145 20 5 DIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254598635 1062196773 /nfs/dbraw/zinc/19/67/73/1062196773.db2.gz ITKLQHDZPQMYHS-UXHICEINSA-N 1 0 322.408 4.208 20 5 DIBDRO C[C@H](CC[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001474516567 1062202106 /nfs/dbraw/zinc/20/21/06/1062202106.db2.gz JBQDIVOFJWJJJV-MRXNPFEDSA-N 1 0 312.413 4.263 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001459800686 1062411531 /nfs/dbraw/zinc/41/15/31/1062411531.db2.gz PBIPUVORMNPUIV-LSDHHAIUSA-N 1 0 320.433 4.168 20 5 DIBDRO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001474727984 1062449579 /nfs/dbraw/zinc/44/95/79/1062449579.db2.gz PPMGDDBFZAFNKD-CVEARBPZSA-N 1 0 312.413 4.309 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001474727985 1062450633 /nfs/dbraw/zinc/45/06/33/1062450633.db2.gz PPMGDDBFZAFNKD-HOTGVXAUSA-N 1 0 312.413 4.309 20 5 DIBDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001459873552 1062462961 /nfs/dbraw/zinc/46/29/61/1062462961.db2.gz KTCGKCIGRGJIMS-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO Cc1ccc(C[N@@H+](C)CC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001459952944 1062523089 /nfs/dbraw/zinc/52/30/89/1062523089.db2.gz NNHQBHLTZSKSHY-UHFFFAOYSA-N 1 0 310.397 4.067 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1F ZINC001460003691 1062562344 /nfs/dbraw/zinc/56/23/44/1062562344.db2.gz GUYUAOHVUBUQHQ-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1CCC1 ZINC001460008079 1062565207 /nfs/dbraw/zinc/56/52/07/1062565207.db2.gz KIURHBBLLHFBLA-UHFFFAOYSA-N 1 0 316.323 4.236 20 5 DIBDRO CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001460075052 1062617748 /nfs/dbraw/zinc/61/77/48/1062617748.db2.gz MNYBZKGAZHHRMF-XOKHGSTOSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460076089 1062617808 /nfs/dbraw/zinc/61/78/08/1062617808.db2.gz SBTGCDUAGCCSGN-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1F ZINC001460095232 1062630632 /nfs/dbraw/zinc/63/06/32/1062630632.db2.gz BRUVTDMGVDQGKX-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460133327 1062653585 /nfs/dbraw/zinc/65/35/85/1062653585.db2.gz SRXGMYOADFRORG-RDJZCZTQSA-N 1 0 304.434 4.456 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001460134849 1062654796 /nfs/dbraw/zinc/65/47/96/1062654796.db2.gz JRANKXDOHCPOAX-GOSISDBHSA-N 1 0 310.397 4.283 20 5 DIBDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001460187072 1062687092 /nfs/dbraw/zinc/68/70/92/1062687092.db2.gz WZBVIVQFGFURNY-LSDHHAIUSA-N 1 0 320.433 4.120 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CCC1 ZINC001460223375 1062709070 /nfs/dbraw/zinc/70/90/70/1062709070.db2.gz IHUDOFBWZWBCEH-HNNXBMFYSA-N 1 0 306.406 4.052 20 5 DIBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001460295339 1062765285 /nfs/dbraw/zinc/76/52/85/1062765285.db2.gz IKKMDUDRZFVEOY-BBRMVZONSA-N 1 0 320.408 4.382 20 5 DIBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001460446433 1062862416 /nfs/dbraw/zinc/86/24/16/1062862416.db2.gz UAVBAZVIYTYAKF-HUUCEWRRSA-N 1 0 320.433 4.393 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC001460618266 1062937354 /nfs/dbraw/zinc/93/73/54/1062937354.db2.gz OBNIMJGPFHQIAH-SJLPKXTDSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC001460742107 1063033640 /nfs/dbraw/zinc/03/36/40/1063033640.db2.gz AXPQMVMFCCYWTB-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CC[NH+](CC)[C@H](CNc1cc(C)ccc1[N+](=O)[O-])CC(C)C ZINC001472650413 1063121486 /nfs/dbraw/zinc/12/14/86/1063121486.db2.gz BKBPYYJTLBKRLZ-HNNXBMFYSA-N 1 0 307.438 4.072 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC=CC23CCCCC3)c1 ZINC001460983982 1063169417 /nfs/dbraw/zinc/16/94/17/1063169417.db2.gz WMMFFBBVIZUBMU-UHFFFAOYSA-N 1 0 306.793 4.323 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)Cc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC001461052816 1063217808 /nfs/dbraw/zinc/21/78/08/1063217808.db2.gz SFJIOUZOASNNIS-LBPRGKRZSA-N 1 0 318.804 4.277 20 5 DIBDRO Cc1cc(SCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001472771312 1063221626 /nfs/dbraw/zinc/22/16/26/1063221626.db2.gz UZYNREBCAKAKFQ-UHFFFAOYSA-N 1 0 316.426 4.127 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)cc1C ZINC001461061193 1063225296 /nfs/dbraw/zinc/22/52/96/1063225296.db2.gz CILFPCULOCVZDT-XNTDXEJSSA-N 1 0 310.397 4.405 20 5 DIBDRO C[C@@H]1CCCC[C@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001461269151 1063382130 /nfs/dbraw/zinc/38/21/30/1063382130.db2.gz ZNTWINOBZDUQAV-WBVHZDCISA-N 1 0 304.434 4.333 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001461351759 1063435221 /nfs/dbraw/zinc/43/52/21/1063435221.db2.gz ABPFWZAKEMELDA-QGZVFWFLSA-N 1 0 302.349 4.283 20 5 DIBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC001473178528 1063485781 /nfs/dbraw/zinc/48/57/81/1063485781.db2.gz HQFFQNODCFESGM-XJKSGUPXSA-N 1 0 306.406 4.004 20 5 DIBDRO COCC1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCCCC1 ZINC001461659977 1063642827 /nfs/dbraw/zinc/64/28/27/1063642827.db2.gz MXJANLKPRFVQER-UHFFFAOYSA-N 1 0 320.433 4.157 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)s2)cc1 ZINC001461667040 1063647881 /nfs/dbraw/zinc/64/78/81/1063647881.db2.gz JITRFSZXMCTTAZ-QLPKVWCKSA-N 1 0 314.410 4.211 20 5 DIBDRO C[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000488442125 1063905964 /nfs/dbraw/zinc/90/59/64/1063905964.db2.gz MKKVRROJAXHFKK-YWPYICTPSA-N 1 0 308.447 4.166 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000584856511 1063982358 /nfs/dbraw/zinc/98/23/58/1063982358.db2.gz LECWSGWCYRFZNL-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC001306923783 1064719828 /nfs/dbraw/zinc/71/98/28/1064719828.db2.gz HPAFEUQTKZKNTM-QGZVFWFLSA-N 1 0 323.412 4.046 20 5 DIBDRO CCC[NH+](CCC)CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC001306909580 1065201008 /nfs/dbraw/zinc/20/10/08/1065201008.db2.gz ZULGRDNVKSMXAB-UHFFFAOYSA-N 1 0 313.829 4.172 20 5 DIBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC001307098832 1065262948 /nfs/dbraw/zinc/26/29/48/1065262948.db2.gz PYAIAUCQHPGXNX-UHFFFAOYSA-N 1 0 323.412 4.191 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001307111073 1065267014 /nfs/dbraw/zinc/26/70/14/1065267014.db2.gz IZCGWVOCMQTBSZ-KDOFPFPSSA-N 1 0 313.401 4.007 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@H](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001307476704 1065423434 /nfs/dbraw/zinc/42/34/34/1065423434.db2.gz GPBXGEXVHLRMQG-ZDUSSCGKSA-N 1 0 324.396 4.001 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001307476703 1065424205 /nfs/dbraw/zinc/42/42/05/1065424205.db2.gz GPBXGEXVHLRMQG-CYBMUJFWSA-N 1 0 324.396 4.001 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001307576588 1065491389 /nfs/dbraw/zinc/49/13/89/1065491389.db2.gz YKLFXMNRRPYDHP-UKRRQHHQSA-N 1 0 308.397 4.428 20 5 DIBDRO CC(C)C([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC001307617288 1065520853 /nfs/dbraw/zinc/52/08/53/1065520853.db2.gz FAMQKKJEXXYYJP-UHFFFAOYSA-N 1 0 318.339 4.384 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001307625007 1065524420 /nfs/dbraw/zinc/52/44/20/1065524420.db2.gz KZVRJQFQGSVTOX-MRXNPFEDSA-N 1 0 306.312 4.114 20 5 DIBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC001307658498 1065546486 /nfs/dbraw/zinc/54/64/86/1065546486.db2.gz BDOVJFZHORCNKJ-GOSISDBHSA-N 1 0 310.397 4.240 20 5 DIBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307704623 1065575563 /nfs/dbraw/zinc/57/55/63/1065575563.db2.gz DKYQOMAVLVENCP-BMIGLBTASA-N 1 0 312.360 4.177 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC001307841653 1065648668 /nfs/dbraw/zinc/64/86/68/1065648668.db2.gz XSDARXYSHTVQHO-AWEZNQCLSA-N 1 0 320.458 4.326 20 5 DIBDRO CCCC1(CCC)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001308049202 1065741819 /nfs/dbraw/zinc/74/18/19/1065741819.db2.gz DMVHUAZDZWLLDC-UHFFFAOYSA-N 1 0 320.433 4.408 20 5 DIBDRO Cc1cccc2[nH]c(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc21 ZINC001308207562 1065814165 /nfs/dbraw/zinc/81/41/65/1065814165.db2.gz DXQDORUWTAIVNT-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO Cc1cccc2[nH]c(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc21 ZINC001308207561 1065814357 /nfs/dbraw/zinc/81/43/57/1065814357.db2.gz DXQDORUWTAIVNT-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CCC(C)C)C2)cc1[N+](=O)[O-] ZINC001308252705 1065855885 /nfs/dbraw/zinc/85/58/85/1065855885.db2.gz PUSTZENBTDBVRA-GOEBONIOSA-N 1 0 320.433 4.298 20 5 DIBDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001308294775 1065890699 /nfs/dbraw/zinc/89/06/99/1065890699.db2.gz CZKDZCYEEKUIAT-WMLDXEAASA-N 1 0 304.434 4.332 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC001308436527 1065986441 /nfs/dbraw/zinc/98/64/41/1065986441.db2.gz VIVOCRLFFJPMIE-DUAULNGPSA-N 1 0 314.429 4.414 20 5 DIBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC001308534865 1066052886 /nfs/dbraw/zinc/05/28/86/1066052886.db2.gz KVAZJDFRFSNKCM-CYBMUJFWSA-N 1 0 318.804 4.450 20 5 DIBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001308536448 1066054694 /nfs/dbraw/zinc/05/46/94/1066054694.db2.gz YTZUPEOAFUFLRQ-UXLLHSPISA-N 1 0 302.418 4.280 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1C ZINC000903286588 1066101463 /nfs/dbraw/zinc/10/14/63/1066101463.db2.gz BOAMBJKLIHTGMD-ZIAGYGMSSA-N 1 0 314.385 4.329 20 5 DIBDRO CC(C)CCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308598934 1066109649 /nfs/dbraw/zinc/10/96/49/1066109649.db2.gz CJQQVSSBFQTXJX-UHFFFAOYSA-N 1 0 320.433 4.264 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2cccc(Cl)c2)c(F)c1 ZINC001308733080 1066209919 /nfs/dbraw/zinc/20/99/19/1066209919.db2.gz WPCLPCZVRWIWFF-UHFFFAOYSA-N 1 0 322.767 4.110 20 5 DIBDRO CC(C)C[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001308735676 1066211122 /nfs/dbraw/zinc/21/11/22/1066211122.db2.gz COPKJJXERUFZND-LLVKDONJSA-N 1 0 318.339 4.385 20 5 DIBDRO C[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001308786909 1066261030 /nfs/dbraw/zinc/26/10/30/1066261030.db2.gz NHGGKDYOMWAKME-CYBMUJFWSA-N 1 0 316.376 4.362 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC([C@@H]2CCC[C@H](C)C2)C1 ZINC001308911073 1066390744 /nfs/dbraw/zinc/39/07/44/1066390744.db2.gz DAEVDCFIUFAKJI-XJKSGUPXSA-N 1 0 316.445 4.470 20 5 DIBDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001308936196 1066406598 /nfs/dbraw/zinc/40/65/98/1066406598.db2.gz MHJGCVSTOSGPKS-ZIAGYGMSSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001308937694 1066408711 /nfs/dbraw/zinc/40/87/11/1066408711.db2.gz VMKXACWYOJNTQU-CORIIIEPSA-N 1 0 308.447 4.166 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000040518026 183090487 /nfs/dbraw/zinc/09/04/87/183090487.db2.gz BVUVDXPPUNCDKZ-NXEZZACHSA-N 1 0 305.403 4.080 20 5 DIBDRO CSCc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000284946867 131125645 /nfs/dbraw/zinc/12/56/45/131125645.db2.gz BOOCCTHQMKRMMW-ZDUSSCGKSA-N 1 0 316.426 4.309 20 5 DIBDRO CSCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000285720724 131196576 /nfs/dbraw/zinc/19/65/76/131196576.db2.gz QFADSKGMZBNGRW-ZDUSSCGKSA-N 1 0 316.426 4.309 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000297217820 132004958 /nfs/dbraw/zinc/00/49/58/132004958.db2.gz HDDUORXRLZTIHS-QWRGUYRKSA-N 1 0 305.765 4.055 20 5 DIBDRO CC[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000297490109 132018827 /nfs/dbraw/zinc/01/88/27/132018827.db2.gz ZXQMJRPXRQPJMK-INIZCTEOSA-N 1 0 313.401 4.008 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000120286261 132143376 /nfs/dbraw/zinc/14/33/76/132143376.db2.gz UDCRALCZCASCIO-SUMWQHHRSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC000120865575 132147026 /nfs/dbraw/zinc/14/70/26/132147026.db2.gz CTOFXTZAOJJVKZ-WDEREUQCSA-N 1 0 306.312 4.285 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000035009634 331465667 /nfs/dbraw/zinc/46/56/67/331465667.db2.gz VSNYRFJIWKMYIG-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000035055418 331467618 /nfs/dbraw/zinc/46/76/18/331467618.db2.gz SOQQIAJPHOZGNZ-MRXNPFEDSA-N 1 0 304.777 4.489 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000035253701 331490665 /nfs/dbraw/zinc/49/06/65/331490665.db2.gz HGMOVCSWUSBMHY-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000213576617 331645289 /nfs/dbraw/zinc/64/52/89/331645289.db2.gz FDGGUHQJIWIRHJ-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000078974395 331678599 /nfs/dbraw/zinc/67/85/99/331678599.db2.gz ADHXPHMELQNDOG-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000558968094 331961574 /nfs/dbraw/zinc/96/15/74/331961574.db2.gz AATIBLVQVSBSTH-KKUMJFAQSA-N 1 0 320.433 4.148 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000584260948 332175231 /nfs/dbraw/zinc/17/52/31/332175231.db2.gz DWJGERGWRIDHMT-JTQLQIEISA-N 1 0 308.428 4.229 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000584260949 332175257 /nfs/dbraw/zinc/17/52/57/332175257.db2.gz DWJGERGWRIDHMT-SNVBAGLBSA-N 1 0 308.428 4.229 20 5 DIBDRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963675 332331371 /nfs/dbraw/zinc/33/13/71/332331371.db2.gz UXRUJWKWLMSRDQ-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000560542546 332355684 /nfs/dbraw/zinc/35/56/84/332355684.db2.gz PCTFNARQUICVJP-HNNXBMFYSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000391813732 335117495 /nfs/dbraw/zinc/11/74/95/335117495.db2.gz TZFOTMXYRXZFNS-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000111158731 333059741 /nfs/dbraw/zinc/05/97/41/333059741.db2.gz NSPPLQHOKKXIOK-INIZCTEOSA-N 1 0 302.761 4.025 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000111158723 333059770 /nfs/dbraw/zinc/05/97/70/333059770.db2.gz GSZNSOQLXLCAPO-INIZCTEOSA-N 1 0 302.761 4.025 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000314098329 333087281 /nfs/dbraw/zinc/08/72/81/333087281.db2.gz IJINVOPUPLQTSS-QGZVFWFLSA-N 1 0 302.349 4.017 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cscc1C ZINC000487166966 333115270 /nfs/dbraw/zinc/11/52/70/333115270.db2.gz HIYUHNCSVFYCHD-WUXMJOGZSA-N 1 0 302.399 4.158 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1OC ZINC000323426369 333195600 /nfs/dbraw/zinc/19/56/00/333195600.db2.gz ZDQGKLPAXXOXJH-MRXNPFEDSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000318666661 333200583 /nfs/dbraw/zinc/20/05/83/333200583.db2.gz YSNCUIWXLSBLBV-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)cc1[N+](=O)[O-] ZINC000185187060 333205301 /nfs/dbraw/zinc/20/53/01/333205301.db2.gz WDCXRWFHDNLSSF-UHFFFAOYSA-N 1 0 306.312 4.131 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCSc3ccccc32)cccc1[N+](=O)[O-] ZINC000319174610 333269319 /nfs/dbraw/zinc/26/93/19/333269319.db2.gz JJYRXSMSNGUFFX-OAHLLOKOSA-N 1 0 314.410 4.230 20 5 DIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000531202364 333330704 /nfs/dbraw/zinc/33/07/04/333330704.db2.gz ULQRNEXDGQSTCL-DOMZBBRYSA-N 1 0 302.399 4.034 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000531213144 333335132 /nfs/dbraw/zinc/33/51/32/333335132.db2.gz SZBDBYMUKCDAKK-AAEUAGOBSA-N 1 0 316.323 4.053 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000121432729 333386590 /nfs/dbraw/zinc/38/65/90/333386590.db2.gz WZTOPJPGEXUINN-LLVKDONJSA-N 1 0 322.311 4.047 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000021506633 333388632 /nfs/dbraw/zinc/38/86/32/333388632.db2.gz COWHZYZGWMRVNW-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000122042630 333390898 /nfs/dbraw/zinc/39/08/98/333390898.db2.gz FWCAEDUXYSEFJH-CXAGYDPISA-N 1 0 314.385 4.405 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000320294995 333500874 /nfs/dbraw/zinc/50/08/74/333500874.db2.gz RMFZDJGCDYNGKG-MSOLQXFVSA-N 1 0 310.397 4.411 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414113935 333905472 /nfs/dbraw/zinc/90/54/72/333905472.db2.gz ZCWOEOBSUKQNHT-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000414119552 333906477 /nfs/dbraw/zinc/90/64/77/333906477.db2.gz DDYIXTLUVNSQPO-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCC(C(F)F)CC1)CCC2 ZINC000414195343 333912187 /nfs/dbraw/zinc/91/21/87/333912187.db2.gz UTNZJBPVPNFHBJ-ZUEPYMLJSA-N 1 0 324.371 4.386 20 5 DIBDRO CC[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000414341955 333942595 /nfs/dbraw/zinc/94/25/95/333942595.db2.gz WNOTVYAIFPNOSI-KRWDZBQOSA-N 1 0 313.401 4.008 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](c1ccccc1)C1CC1 ZINC000571656032 334075033 /nfs/dbraw/zinc/07/50/33/334075033.db2.gz YMDWLYFYAJEJTH-PKOBYXMFSA-N 1 0 308.381 4.323 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](c1ccccc1)C1CC1 ZINC000571656028 334075141 /nfs/dbraw/zinc/07/51/41/334075141.db2.gz YMDWLYFYAJEJTH-IEBWSBKVSA-N 1 0 308.381 4.323 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297396271 334241032 /nfs/dbraw/zinc/24/10/32/334241032.db2.gz SDQWRHDFLSNGLV-KBPBESRZSA-N 1 0 313.401 4.073 20 5 DIBDRO CCC[C@H]([NH2+]CCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000049153255 334322357 /nfs/dbraw/zinc/32/23/57/334322357.db2.gz ILVXCWSUEMVRLS-INIZCTEOSA-N 1 0 304.415 4.330 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000534696729 334327819 /nfs/dbraw/zinc/32/78/19/334327819.db2.gz OYLHGUJCPAOOIY-QGZVFWFLSA-N 1 0 320.339 4.156 20 5 DIBDRO CCCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000534811885 334338209 /nfs/dbraw/zinc/33/82/09/334338209.db2.gz HUUHPBHISIDMHK-UHFFFAOYSA-N 1 0 315.373 4.014 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000049592756 334352964 /nfs/dbraw/zinc/35/29/64/334352964.db2.gz HQYDGKBWPHNTIG-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000531983859 334358454 /nfs/dbraw/zinc/35/84/54/334358454.db2.gz CKWRZYJASGLGPX-YOEHRIQHSA-N 1 0 308.422 4.005 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000050015560 334361847 /nfs/dbraw/zinc/36/18/47/334361847.db2.gz WFQDWNGWDMCPMT-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO CCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000443105504 338444841 /nfs/dbraw/zinc/44/48/41/338444841.db2.gz UWRCVRDWZNEUAI-INIZCTEOSA-N 1 0 304.415 4.330 20 5 DIBDRO CCC[C@H]([NH2+]CC1(CC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000323786840 335581530 /nfs/dbraw/zinc/58/15/30/335581530.db2.gz CBVCIGKPBRIFRZ-KRWDZBQOSA-N 1 0 320.433 4.232 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000051627517 335756286 /nfs/dbraw/zinc/75/62/86/335756286.db2.gz YFNQKHREFODJNI-INIZCTEOSA-N 1 0 304.777 4.489 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000445894675 338514787 /nfs/dbraw/zinc/51/47/87/338514787.db2.gz BZPQHDCYNVUJFK-LLVKDONJSA-N 1 0 324.730 4.315 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000351978401 336185073 /nfs/dbraw/zinc/18/50/73/336185073.db2.gz SAEFBJJEPFYJLW-CQSZACIVSA-N 1 0 318.398 4.002 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)cc(F)c1)CCC2 ZINC000192633634 336202686 /nfs/dbraw/zinc/20/26/86/336202686.db2.gz HPTGOAQRFUVIRW-QGZVFWFLSA-N 1 0 318.323 4.040 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3occc31)CCC2 ZINC000192657631 336258200 /nfs/dbraw/zinc/25/82/00/336258200.db2.gz FZONDMWAWFHIMY-SJORKVTESA-N 1 0 312.369 4.232 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000192757431 336260510 /nfs/dbraw/zinc/26/05/10/336260510.db2.gz MBFZFMMUQCHPIA-DYVFJYSZSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1nc(Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000301629973 336319323 /nfs/dbraw/zinc/31/93/23/336319323.db2.gz IPUWNANTAAYMSW-UHFFFAOYSA-N 1 0 312.373 4.032 20 5 DIBDRO Cc1cc(N2CCc3ccccc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302133276 336350027 /nfs/dbraw/zinc/35/00/27/336350027.db2.gz CLHOQJIGMQDPLY-UHFFFAOYSA-N 1 0 319.364 4.014 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000320887051 336382432 /nfs/dbraw/zinc/38/24/32/336382432.db2.gz YESILPDYYCJHRQ-SFHVURJKSA-N 1 0 314.360 4.017 20 5 DIBDRO CC(C)CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000353396425 336415328 /nfs/dbraw/zinc/41/53/28/336415328.db2.gz SWHDOBUHRFEMPZ-KRWDZBQOSA-N 1 0 302.374 4.455 20 5 DIBDRO CC(C)CC[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582569329 337107352 /nfs/dbraw/zinc/10/73/52/337107352.db2.gz JFWKGHHOJQLGFM-ZDUSSCGKSA-N 1 0 303.406 4.033 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](F)C3)s2)cc1 ZINC000582598060 337111526 /nfs/dbraw/zinc/11/15/26/337111526.db2.gz LTNIXWZSESLSPI-STQMWFEESA-N 1 0 320.389 4.304 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)noc1C ZINC000181770925 337184577 /nfs/dbraw/zinc/18/45/77/337184577.db2.gz RIAMCWROVMHDIN-ZBEGNZNMSA-N 1 0 317.389 4.310 20 5 DIBDRO CC1(C)CN(Cc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000582863444 337208911 /nfs/dbraw/zinc/20/89/11/337208911.db2.gz IJMSDDVUBRUNSZ-HNNXBMFYSA-N 1 0 302.399 4.239 20 5 DIBDRO Cc1cccc2c1OCC[C@@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188945830 337276700 /nfs/dbraw/zinc/27/67/00/337276700.db2.gz ZGYZRUUUAZVCOY-JZLODUJNSA-N 1 0 324.380 4.030 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000584664861 337379281 /nfs/dbraw/zinc/37/92/81/337379281.db2.gz SLNHNYXFJTYOJY-MRXNPFEDSA-N 1 0 312.344 4.000 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CC(F)F)c2ccccc2)c1 ZINC000420984762 337517522 /nfs/dbraw/zinc/51/75/22/337517522.db2.gz GSOOIFPUHYQAGJ-OAHLLOKOSA-N 1 0 306.312 4.081 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000285312806 337595242 /nfs/dbraw/zinc/59/52/42/337595242.db2.gz SPZTYPHWNJNMER-XIKOKIGWSA-N 1 0 312.369 4.029 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000536824220 337604183 /nfs/dbraw/zinc/60/41/83/337604183.db2.gz AHSSJESWQWJBBV-GRDNDAEWSA-N 1 0 320.433 4.148 20 5 DIBDRO CC[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000421848360 337654686 /nfs/dbraw/zinc/65/46/86/337654686.db2.gz ADWCLEJZXYMJKH-ZBFHGGJFSA-N 1 0 320.458 4.169 20 5 DIBDRO C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536842504 337737990 /nfs/dbraw/zinc/73/79/90/337737990.db2.gz YISRIVMJJZYVLG-OAHLLOKOSA-N 1 0 310.397 4.268 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc2c(s1)CCC2 ZINC000536842370 337738043 /nfs/dbraw/zinc/73/80/43/337738043.db2.gz YVAKCPQGURKHKZ-GFCCVEGCSA-N 1 0 316.426 4.038 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000536846859 337744164 /nfs/dbraw/zinc/74/41/64/337744164.db2.gz RNQWVMWJUOVPMZ-CYBMUJFWSA-N 1 0 316.426 4.210 20 5 DIBDRO Cc1ccccc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000536854514 337744885 /nfs/dbraw/zinc/74/48/85/337744885.db2.gz UKVHZGZSHDUTTE-LJQANCHMSA-N 1 0 324.424 4.057 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)Oc1ccccc1 ZINC000536873073 337758373 /nfs/dbraw/zinc/75/83/73/337758373.db2.gz WBEYGLCQINPVJG-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000120901527 337883009 /nfs/dbraw/zinc/88/30/09/337883009.db2.gz ZMGOOTKNAIASHF-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000090886365 337886843 /nfs/dbraw/zinc/88/68/43/337886843.db2.gz OEOUVIKODMBYPY-BONVTDFDSA-N 1 0 303.362 4.002 20 5 DIBDRO Cc1c(C[N@H+](CCC(F)(F)F)CC2CC2)cccc1[N+](=O)[O-] ZINC000084138297 338000289 /nfs/dbraw/zinc/00/02/89/338000289.db2.gz RTPUPMXQPQNJMN-UHFFFAOYSA-N 1 0 316.323 4.068 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1occc1C ZINC000426340308 338027880 /nfs/dbraw/zinc/02/78/80/338027880.db2.gz ZQFQQBRBXCFCAB-CYBMUJFWSA-N 1 0 320.414 4.157 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4CCC[C@H]43)o2)cc1 ZINC000428456506 338052720 /nfs/dbraw/zinc/05/27/20/338052720.db2.gz FMVHRDJGGJSLPX-CXAGYDPISA-N 1 0 312.369 4.229 20 5 DIBDRO CSC[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000430200283 338101056 /nfs/dbraw/zinc/10/10/56/338101056.db2.gz UGCCMBJFTYATOY-IHWMJMDHSA-N 1 0 320.458 4.073 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000430741342 338112867 /nfs/dbraw/zinc/11/28/67/338112867.db2.gz ISUZWNXETBKLHK-DOMZBBRYSA-N 1 0 312.360 4.461 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433160699 338183526 /nfs/dbraw/zinc/18/35/26/338183526.db2.gz HYNLGPBGPCSOTL-SFHVURJKSA-N 1 0 310.397 4.415 20 5 DIBDRO CC[C@@H](CSC)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433226216 338186680 /nfs/dbraw/zinc/18/66/80/338186680.db2.gz FQZLOFTVLKWBQA-NHYWBVRUSA-N 1 0 308.447 4.048 20 5 DIBDRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433239448 338187418 /nfs/dbraw/zinc/18/74/18/338187418.db2.gz GUTKXOSQVXBEET-RNCFNFMXSA-N 1 0 316.323 4.248 20 5 DIBDRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285088 338189195 /nfs/dbraw/zinc/18/91/95/338189195.db2.gz LBJSJJCAHRVYJN-LRDDRELGSA-N 1 0 320.433 4.110 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436285049 338265948 /nfs/dbraw/zinc/26/59/48/338265948.db2.gz CQBRDPQIFYUADZ-NUTKFTJISA-N 1 0 314.360 4.331 20 5 DIBDRO CC[C@H]([NH2+]C1CCC(C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000442778041 338430610 /nfs/dbraw/zinc/43/06/10/338430610.db2.gz JVGPHTWTAPIGRI-HGMXIMQMSA-N 1 0 312.360 4.459 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)cccc1[N+](=O)[O-] ZINC000442793119 338431786 /nfs/dbraw/zinc/43/17/86/338431786.db2.gz AQLRHBOPEQXYBM-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)cccc1[N+](=O)[O-] ZINC000442793122 338431865 /nfs/dbraw/zinc/43/18/65/338431865.db2.gz AQLRHBOPEQXYBM-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cl)CCC2 ZINC000447509148 338553132 /nfs/dbraw/zinc/55/31/32/338553132.db2.gz LYVLDLGPWVHOLH-QGZVFWFLSA-N 1 0 316.788 4.415 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447609982 338561996 /nfs/dbraw/zinc/56/19/96/338561996.db2.gz ZVIRAIHMXPMEPC-RISCZKNCSA-N 1 0 316.323 4.293 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000449350531 338616249 /nfs/dbraw/zinc/61/62/49/338616249.db2.gz MFUNTMDULFBSRU-KRWDZBQOSA-N 1 0 318.323 4.040 20 5 DIBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000449350892 338616575 /nfs/dbraw/zinc/61/65/75/338616575.db2.gz XSYGXOLHQZFYRZ-LLVKDONJSA-N 1 0 302.399 4.385 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163362101 338732227 /nfs/dbraw/zinc/73/22/27/338732227.db2.gz FPXFCUWYIFUMMC-GHMZBOCLSA-N 1 0 304.312 4.367 20 5 DIBDRO CC1(F)CC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000453233453 338811505 /nfs/dbraw/zinc/81/15/05/338811505.db2.gz HJGTZHKFMUWPIO-NXYGQSRBSA-N 1 0 314.360 4.164 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000453318476 338823969 /nfs/dbraw/zinc/82/39/69/338823969.db2.gz MEBZCPFOUOBPIS-HDMKZQKVSA-N 1 0 320.433 4.005 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453405835 338839309 /nfs/dbraw/zinc/83/93/09/338839309.db2.gz FOBARSMCLJAMQK-PBHICJAKSA-N 1 0 320.433 4.231 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CC(F)(F)C1 ZINC000453574661 338848667 /nfs/dbraw/zinc/84/86/67/338848667.db2.gz CAMQPALBLHZUQP-GHXNOFRVSA-N 1 0 310.344 4.023 20 5 DIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000459649137 339040307 /nfs/dbraw/zinc/04/03/07/339040307.db2.gz JLUYYGVFNXIAJJ-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCC(C(F)F)CC1 ZINC000459719169 339044185 /nfs/dbraw/zinc/04/41/85/339044185.db2.gz VLLYAVKPHUTFMH-HYXAFXHYSA-N 1 0 310.344 4.022 20 5 DIBDRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000462543682 339080969 /nfs/dbraw/zinc/08/09/69/339080969.db2.gz USAGZGLEPJICNX-SJKOYZFVSA-N 1 0 316.426 4.460 20 5 DIBDRO Cc1ccc(F)c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000462769940 339087751 /nfs/dbraw/zinc/08/77/51/339087751.db2.gz VFLSQJHXLODCDK-UHFFFAOYSA-N 1 0 316.376 4.155 20 5 DIBDRO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)(C)C ZINC000463372999 339116056 /nfs/dbraw/zinc/11/60/56/339116056.db2.gz ARKCLMIDGFVNLG-UHFFFAOYSA-N 1 0 317.389 4.118 20 5 DIBDRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000464114891 339133714 /nfs/dbraw/zinc/13/37/14/339133714.db2.gz KUXMQRQVUYKEBP-UHFFFAOYSA-N 1 0 312.385 4.047 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000464725335 339149990 /nfs/dbraw/zinc/14/99/90/339149990.db2.gz NGLKWUSKYBVLSH-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000464849092 339157554 /nfs/dbraw/zinc/15/75/54/339157554.db2.gz DCNAXWMEQGCQTL-CXAGYDPISA-N 1 0 314.385 4.469 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Sc1ccccc1 ZINC000467856865 339247756 /nfs/dbraw/zinc/24/77/56/339247756.db2.gz SHXNAMPYFTXMLC-KBPBESRZSA-N 1 0 316.426 4.426 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000467862416 339247902 /nfs/dbraw/zinc/24/79/02/339247902.db2.gz HLIWAUFDCIAKBA-JSGCOSHPSA-N 1 0 302.374 4.168 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000467969977 339250181 /nfs/dbraw/zinc/25/01/81/339250181.db2.gz OIFRHJILQJTODE-ZDUSSCGKSA-N 1 0 310.353 4.234 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000467997353 339250728 /nfs/dbraw/zinc/25/07/28/339250728.db2.gz ALWRDMKSMTVXKN-QZTJIDSGSA-N 1 0 310.397 4.063 20 5 DIBDRO Cc1ccc2[nH]c(C[NH2+]CCc3ccccc3[N+](=O)[O-])cc2c1C ZINC000468007686 339251131 /nfs/dbraw/zinc/25/11/31/339251131.db2.gz VWERUADMDNGEFW-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO C[C@H](CCc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468041119 339252371 /nfs/dbraw/zinc/25/23/71/339252371.db2.gz SYBBXKKCNPFTRO-LLVKDONJSA-N 1 0 324.833 4.421 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C/C=C/c1ccccc1 ZINC000468593730 339266877 /nfs/dbraw/zinc/26/68/77/339266877.db2.gz BNYKNTYAWAAETP-OUYFPJISSA-N 1 0 308.381 4.301 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468620300 339267150 /nfs/dbraw/zinc/26/71/50/339267150.db2.gz JDGDIESQDHNTBO-DZKOEADISA-N 1 0 320.458 4.262 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)cc1F ZINC000468641775 339267764 /nfs/dbraw/zinc/26/77/64/339267764.db2.gz FZYZTPRFAQGEPQ-KPKJPENVSA-N 1 0 318.323 4.066 20 5 DIBDRO CCO[C@@H](CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468745072 339269655 /nfs/dbraw/zinc/26/96/55/339269655.db2.gz PRXQTSQDPWSJFA-RXBGNRNISA-N 1 0 320.433 4.039 20 5 DIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000469774210 339298834 /nfs/dbraw/zinc/29/88/34/339298834.db2.gz DJRDLMSQBOBPDI-DAXOMENPSA-N 1 0 308.447 4.310 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2sccc2C1 ZINC000470169541 339312586 /nfs/dbraw/zinc/31/25/86/339312586.db2.gz GBSNXGJOXJVBLX-UKTHLTGXSA-N 1 0 314.410 4.118 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000470195766 339313751 /nfs/dbraw/zinc/31/37/51/339313751.db2.gz QPORQAACCINCLB-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(O)c1 ZINC000471184042 339339873 /nfs/dbraw/zinc/33/98/73/339339873.db2.gz XKJKLIHKQPMBLD-AWEZNQCLSA-N 1 0 314.385 4.192 20 5 DIBDRO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000471598396 339348724 /nfs/dbraw/zinc/34/87/24/339348724.db2.gz WPHZCOGYFWUBAE-QGZVFWFLSA-N 1 0 310.397 4.379 20 5 DIBDRO Cc1ccc(SC[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000472131535 339363812 /nfs/dbraw/zinc/36/38/12/339363812.db2.gz AEEWTUXQUHFOHU-AWEZNQCLSA-N 1 0 316.426 4.174 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc2cccc(F)c2o1 ZINC000473989413 339396431 /nfs/dbraw/zinc/39/64/31/339396431.db2.gz ZZYLFUQJITVUDF-LLVKDONJSA-N 1 0 314.316 4.331 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1ccccc1[N+](=O)[O-] ZINC000474049493 339399120 /nfs/dbraw/zinc/39/91/20/339399120.db2.gz ZATWOVWHDLXXTM-RYUDHWBXSA-N 1 0 312.360 4.459 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1ccccc1[N+](=O)[O-] ZINC000474049492 339399180 /nfs/dbraw/zinc/39/91/80/339399180.db2.gz ZATWOVWHDLXXTM-NWDGAFQWSA-N 1 0 312.360 4.459 20 5 DIBDRO CCc1cccc(F)c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000474807540 339427307 /nfs/dbraw/zinc/42/73/07/339427307.db2.gz CUKNAXNYMRTFDI-CYBMUJFWSA-N 1 0 316.376 4.456 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000475563713 339455395 /nfs/dbraw/zinc/45/53/95/339455395.db2.gz KBRJYUPRYLXFFE-DOTOQJQBSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CCc2ccco2)cccc1[N+](=O)[O-] ZINC000480086089 339558361 /nfs/dbraw/zinc/55/83/61/339558361.db2.gz WLQGMBWNSXIYCZ-TZMCWYRMSA-N 1 0 302.374 4.168 20 5 DIBDRO C[C@@H]([NH2+]CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480312699 339568663 /nfs/dbraw/zinc/56/86/63/339568663.db2.gz FSRKEJKIJRKGTR-LLVKDONJSA-N 1 0 302.399 4.384 20 5 DIBDRO Cc1cc2[nH]c(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc2c(C)c1 ZINC000480458856 339573722 /nfs/dbraw/zinc/57/37/22/339573722.db2.gz GARIXDLYSBKPRC-UHFFFAOYSA-N 1 0 323.396 4.291 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(Cc2ccccc2)CC1 ZINC000480658222 339581319 /nfs/dbraw/zinc/58/13/19/339581319.db2.gz AUUSRIONBULMOF-INIZCTEOSA-N 1 0 324.424 4.281 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCCO[C@@H]1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000480753219 339586000 /nfs/dbraw/zinc/58/60/00/339586000.db2.gz AXYODICJGGXIJG-OKZBNKHCSA-N 1 0 320.433 4.229 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCCO[C@H]1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000480753217 339586004 /nfs/dbraw/zinc/58/60/04/339586004.db2.gz AXYODICJGGXIJG-BZSNNMDCSA-N 1 0 320.433 4.229 20 5 DIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000481543123 339606134 /nfs/dbraw/zinc/60/61/34/339606134.db2.gz KEOFKYITHKSCPG-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000484488945 339687668 /nfs/dbraw/zinc/68/76/68/339687668.db2.gz VSYIAACELXXCKD-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488447532 339782909 /nfs/dbraw/zinc/78/29/09/339782909.db2.gz WPRCJUTXVJDGIB-DUVNUKRYSA-N 1 0 308.447 4.084 20 5 DIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000492336338 339897978 /nfs/dbraw/zinc/89/79/78/339897978.db2.gz VPMORRMAKSJXJN-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000493008791 339914789 /nfs/dbraw/zinc/91/47/89/339914789.db2.gz LIKYMSLFBMSMKY-MRXNPFEDSA-N 1 0 314.385 4.234 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000499604859 340040622 /nfs/dbraw/zinc/04/06/22/340040622.db2.gz GWAVHZMWEJNZET-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000500466609 340059862 /nfs/dbraw/zinc/05/98/62/340059862.db2.gz CRWLRTJDABDXIK-QGZVFWFLSA-N 1 0 320.339 4.360 20 5 DIBDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000500505760 340060948 /nfs/dbraw/zinc/06/09/48/340060948.db2.gz ZHAXEAVAFCROCF-VQIMIIECSA-N 1 0 310.397 4.318 20 5 DIBDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000500505757 340060951 /nfs/dbraw/zinc/06/09/51/340060951.db2.gz ZHAXEAVAFCROCF-LPHOPBHVSA-N 1 0 310.397 4.318 20 5 DIBDRO CCSCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000502347253 340100371 /nfs/dbraw/zinc/10/03/71/340100371.db2.gz ULPHVUFPOQDELU-HOCLYGCPSA-N 1 0 322.474 4.039 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)CCC2 ZINC000502590872 340108592 /nfs/dbraw/zinc/10/85/92/340108592.db2.gz IBTNAESOWKKCCY-BLLLJJGKSA-N 1 0 324.371 4.387 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCc2cccc3[nH]ccc32)cccc1[N+](=O)[O-] ZINC000503861212 340135453 /nfs/dbraw/zinc/13/54/53/340135453.db2.gz PNUBMQCKIMAIET-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccs1 ZINC000504912709 340155961 /nfs/dbraw/zinc/15/59/61/340155961.db2.gz ZUYSLLFKTRNATG-GFCCVEGCSA-N 1 0 322.455 4.317 20 5 DIBDRO Cc1cccc([C@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000505922610 340181701 /nfs/dbraw/zinc/18/17/01/340181701.db2.gz JNGXYLMNYYDCSP-QGZVFWFLSA-N 1 0 314.360 4.379 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000506204574 340188707 /nfs/dbraw/zinc/18/87/07/340188707.db2.gz PCQKJZYZHNNBKO-INIZCTEOSA-N 1 0 316.788 4.068 20 5 DIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000506278514 340190910 /nfs/dbraw/zinc/19/09/10/340190910.db2.gz AXTXGVXHLFWQIW-UHFFFAOYSA-N 1 0 300.358 4.229 20 5 DIBDRO CC(C)[N@H+](Cc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507115353 340208031 /nfs/dbraw/zinc/20/80/31/340208031.db2.gz HOSVOQGSIYSGPR-UHFFFAOYSA-N 1 0 302.349 4.145 20 5 DIBDRO CC(C)[C@@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000507225325 340214435 /nfs/dbraw/zinc/21/44/35/340214435.db2.gz CKFDOQWUSSGJCB-GFCCVEGCSA-N 1 0 319.430 4.195 20 5 DIBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000507439774 340219622 /nfs/dbraw/zinc/21/96/22/340219622.db2.gz FTQMZFILEVGNDF-LBPRGKRZSA-N 1 0 300.358 4.085 20 5 DIBDRO CC(C)[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000507997624 340236953 /nfs/dbraw/zinc/23/69/53/340236953.db2.gz IIMAGIRMGKCFKH-UHFFFAOYSA-N 1 0 300.358 4.228 20 5 DIBDRO CC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000402605751 340246346 /nfs/dbraw/zinc/24/63/46/340246346.db2.gz PIGKUSCPIAOIJH-MNOVXSKESA-N 1 0 304.312 4.224 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000510663748 340305662 /nfs/dbraw/zinc/30/56/62/340305662.db2.gz OHNNWOBYTFXVIF-IBGZPJMESA-N 1 0 308.381 4.247 20 5 DIBDRO C[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000511991008 340344606 /nfs/dbraw/zinc/34/46/06/340344606.db2.gz QJQKWPSQEXQXEN-QMAVJUDZSA-N 1 0 318.323 4.237 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c(F)c1 ZINC000513064114 340391751 /nfs/dbraw/zinc/39/17/51/340391751.db2.gz OBNIMJGPFHQIAH-FUHWJXTLSA-N 1 0 314.360 4.160 20 5 DIBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513073586 340392102 /nfs/dbraw/zinc/39/21/02/340392102.db2.gz CRCGPPJUBMVDLD-BMIGLBTASA-N 1 0 320.776 4.396 20 5 DIBDRO CC[NH+](CC)[C@H](CNc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000513194711 340396426 /nfs/dbraw/zinc/39/64/26/340396426.db2.gz RYMRYXXOBHRBKR-MRXNPFEDSA-N 1 0 319.430 4.151 20 5 DIBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000521827552 340534881 /nfs/dbraw/zinc/53/48/81/340534881.db2.gz POEYTQSRXRFJAA-IUODEOHRSA-N 1 0 300.358 4.133 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000223711681 340547382 /nfs/dbraw/zinc/54/73/82/340547382.db2.gz YMJFBTBZTWJXAL-AEGPPILISA-N 1 0 308.447 4.228 20 5 DIBDRO CCC[C@@H]([NH2+]CC1(SC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000228016232 340605721 /nfs/dbraw/zinc/60/57/21/340605721.db2.gz PDUOFWPARAJEOO-OAHLLOKOSA-N 1 0 308.447 4.311 20 5 DIBDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143289 340619125 /nfs/dbraw/zinc/61/91/25/340619125.db2.gz RXUARDRUKXHIDD-AAEUAGOBSA-N 1 0 314.838 4.012 20 5 DIBDRO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237001840 340667200 /nfs/dbraw/zinc/66/72/00/340667200.db2.gz CIOUHRLHGTUONQ-JTQLQIEISA-N 1 0 308.765 4.396 20 5 DIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000538703568 340838892 /nfs/dbraw/zinc/83/88/92/340838892.db2.gz QQRCEGKHRLUCBQ-GOSISDBHSA-N 1 0 314.385 4.090 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000539092113 340872719 /nfs/dbraw/zinc/87/27/19/340872719.db2.gz XAWAUZZSONQOKY-SCLBCKFNSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@H]([NH2+]CCSc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539275591 340879069 /nfs/dbraw/zinc/87/90/69/340879069.db2.gz UZZNKJSPJIUNLZ-LBPRGKRZSA-N 1 0 320.389 4.177 20 5 DIBDRO CC(C)c1ccc(C[NH+]2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000539834963 340904430 /nfs/dbraw/zinc/90/44/30/340904430.db2.gz UHUQQVMDIVKGCX-UHFFFAOYSA-N 1 0 312.360 4.195 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC000540147828 340917077 /nfs/dbraw/zinc/91/70/77/340917077.db2.gz WWVNJTPIWYJPAJ-QGZVFWFLSA-N 1 0 316.788 4.068 20 5 DIBDRO CC[C@@H]([NH2+]CCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000540150191 340917438 /nfs/dbraw/zinc/91/74/38/340917438.db2.gz CGVOEKYCRGLJTN-MRXNPFEDSA-N 1 0 304.415 4.330 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC=CCC1 ZINC000540173498 340920498 /nfs/dbraw/zinc/92/04/98/340920498.db2.gz HEYNXBFASDXVII-UONOGXRCSA-N 1 0 306.431 4.164 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cccc(F)c1F ZINC000540178415 340921016 /nfs/dbraw/zinc/92/10/16/340921016.db2.gz BSNULRAJKURNIX-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO CS[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542497064 341010485 /nfs/dbraw/zinc/01/04/85/341010485.db2.gz VKYBEILBQJRDSZ-CJNGLKHVSA-N 1 0 324.490 4.283 20 5 DIBDRO Cc1ccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CCC2)o1 ZINC000542668624 341016345 /nfs/dbraw/zinc/01/63/45/341016345.db2.gz OPBQKIVZTDJXJG-SFHVURJKSA-N 1 0 314.385 4.170 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c(Cl)cccc32)cc1 ZINC000543598947 341050373 /nfs/dbraw/zinc/05/03/73/341050373.db2.gz JLJCUFKKMWIJQZ-KRWDZBQOSA-N 1 0 316.788 4.415 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000543632171 341052208 /nfs/dbraw/zinc/05/22/08/341052208.db2.gz VYOGVEMHEPSTTE-INIZCTEOSA-N 1 0 302.399 4.302 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000544364458 341078225 /nfs/dbraw/zinc/07/82/25/341078225.db2.gz AFWHEKFTHJICNL-LSDHHAIUSA-N 1 0 320.433 4.013 20 5 DIBDRO CCC[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000544374574 341078951 /nfs/dbraw/zinc/07/89/51/341078951.db2.gz VZJJXGLYYVIIPJ-VKJFTORMSA-N 1 0 320.433 4.231 20 5 DIBDRO CS[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000544384798 341079518 /nfs/dbraw/zinc/07/95/18/341079518.db2.gz CYFSMAGPCHDOEO-SWLSCSKDSA-N 1 0 310.463 4.332 20 5 DIBDRO CS[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000544384368 341079536 /nfs/dbraw/zinc/07/95/36/341079536.db2.gz NOKGJDNUODPTBD-IUODEOHRSA-N 1 0 310.463 4.332 20 5 DIBDRO CS[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000544384367 341079539 /nfs/dbraw/zinc/07/95/39/341079539.db2.gz NOKGJDNUODPTBD-DOMZBBRYSA-N 1 0 310.463 4.332 20 5 DIBDRO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CCC2)o1 ZINC000544574137 341086631 /nfs/dbraw/zinc/08/66/31/341086631.db2.gz LNJMDRXXRGWZGM-QGZVFWFLSA-N 1 0 300.358 4.127 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000544833563 341095640 /nfs/dbraw/zinc/09/56/40/341095640.db2.gz WXVDKSMQDJQXFM-YPMHNXCESA-N 1 0 304.312 4.367 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000544895388 341097809 /nfs/dbraw/zinc/09/78/09/341097809.db2.gz AWIXIWGKPUXXBP-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000132436247 341123218 /nfs/dbraw/zinc/12/32/18/341123218.db2.gz OUNYBAULUNUBKI-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000545558511 341130356 /nfs/dbraw/zinc/13/03/56/341130356.db2.gz WKJHLBKGXZDMMP-SECBINFHSA-N 1 0 310.703 4.069 20 5 DIBDRO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000545978295 341149170 /nfs/dbraw/zinc/14/91/70/341149170.db2.gz CHNUVWCWKGGMPN-ZCGYKAAXSA-N 1 0 310.397 4.366 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000237327731 341211922 /nfs/dbraw/zinc/21/19/22/341211922.db2.gz XXUIMNVPCGJSCP-CQSZACIVSA-N 1 0 310.397 4.324 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000547727137 341228981 /nfs/dbraw/zinc/22/89/81/341228981.db2.gz JUJHBQYSAYRALL-INIZCTEOSA-N 1 0 316.788 4.068 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000548066721 341245479 /nfs/dbraw/zinc/24/54/79/341245479.db2.gz IGMBARWDWRJQGE-IBGZPJMESA-N 1 0 322.364 4.110 20 5 DIBDRO O=[N+]([O-])c1cccc(CNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000136136097 341253371 /nfs/dbraw/zinc/25/33/71/341253371.db2.gz BMVNECPHGPTFOA-UHFFFAOYSA-N 1 0 318.323 4.042 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000079721085 341264465 /nfs/dbraw/zinc/26/44/65/341264465.db2.gz ODRWDYVMPCJPPB-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C2CCC2)o1 ZINC000548710726 341270278 /nfs/dbraw/zinc/27/02/78/341270278.db2.gz SECPSUPERMKFJH-GOSISDBHSA-N 1 0 314.385 4.170 20 5 DIBDRO CSc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000080347208 341272994 /nfs/dbraw/zinc/27/29/94/341272994.db2.gz WEQMXUBYPPKQCG-UHFFFAOYSA-N 1 0 316.426 4.342 20 5 DIBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000080347306 341273056 /nfs/dbraw/zinc/27/30/56/341273056.db2.gz ZBRVWUJAZMSZGB-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CC(C)([NH2+]Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000080347329 341273061 /nfs/dbraw/zinc/27/30/61/341273061.db2.gz IHKXANVKUQKTPD-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000080347171 341273067 /nfs/dbraw/zinc/27/30/67/341273067.db2.gz OJUHEBIVENBTDB-UHFFFAOYSA-N 1 0 309.369 4.101 20 5 DIBDRO CC(C)([NH2+]Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000080347061 341273082 /nfs/dbraw/zinc/27/30/82/341273082.db2.gz VFYCGLKLZTVJIH-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000080346944 341273101 /nfs/dbraw/zinc/27/31/01/341273101.db2.gz BDGMLSNASIOHPQ-UHFFFAOYSA-N 1 0 314.385 4.018 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cc2ccccc2s1 ZINC000550266695 341313923 /nfs/dbraw/zinc/31/39/23/341313923.db2.gz ZDJCCRHUAYGONL-UHFFFAOYSA-N 1 0 312.394 4.142 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000550829013 341323773 /nfs/dbraw/zinc/32/37/73/341323773.db2.gz QTUFUUUWURIWOZ-NUTKFTJISA-N 1 0 314.360 4.331 20 5 DIBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000552055937 341365606 /nfs/dbraw/zinc/36/56/06/341365606.db2.gz JXAQTIIMHZUCTN-UONOGXRCSA-N 1 0 316.323 4.138 20 5 DIBDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090723773 341418785 /nfs/dbraw/zinc/41/87/85/341418785.db2.gz CHGSCYRPTLYXBY-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000572731565 341702353 /nfs/dbraw/zinc/70/23/53/341702353.db2.gz QPSOXVUREVTRKI-KOLCDFICSA-N 1 0 304.312 4.142 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000348203372 341947568 /nfs/dbraw/zinc/94/75/68/341947568.db2.gz CEWFCVCZDNEUCO-CJNGLKHVSA-N 1 0 308.447 4.169 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000178730720 341963053 /nfs/dbraw/zinc/96/30/53/341963053.db2.gz RIJBGHWFNIIYAO-LLVKDONJSA-N 1 0 320.414 4.078 20 5 DIBDRO CC(C)c1nc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000157011284 519861590 /nfs/dbraw/zinc/86/15/90/519861590.db2.gz FNOFVKCDHHHGCY-GFCCVEGCSA-N 1 0 319.430 4.068 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H](C)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000181630777 522610335 /nfs/dbraw/zinc/61/03/35/522610335.db2.gz MMOCDMLPHLGBGN-BZNIZROVSA-N 1 0 317.389 4.044 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000268860900 525162119 /nfs/dbraw/zinc/16/21/19/525162119.db2.gz BUZZBJDADMLQIT-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1[N+](=O)[O-] ZINC000266435053 525650748 /nfs/dbraw/zinc/65/07/48/525650748.db2.gz FAXQSGFLICLKBB-BDJLRTHQSA-N 1 0 300.333 4.072 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127482784 525685958 /nfs/dbraw/zinc/68/59/58/525685958.db2.gz ZQSDNRVTQKVHAX-ZBFHGGJFSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc([N+](=O)[O-])cc1 ZINC000267415617 525690387 /nfs/dbraw/zinc/69/03/87/525690387.db2.gz JCLNFXWXXFQUAA-DIFFPNOSSA-N 1 0 300.333 4.072 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649426 525692168 /nfs/dbraw/zinc/69/21/68/525692168.db2.gz KEIHGVVPZULQTE-DIFFPNOSSA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000127073690 525905569 /nfs/dbraw/zinc/90/55/69/525905569.db2.gz HBCKLYMHUGBBNJ-CABCVRRESA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1csc(CCCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000160698939 526340493 /nfs/dbraw/zinc/34/04/93/526340493.db2.gz IJTCKANCYVCMJM-CYBMUJFWSA-N 1 0 319.430 4.033 20 5 DIBDRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000186559375 526405788 /nfs/dbraw/zinc/40/57/88/526405788.db2.gz DDQVSODIKFYKKS-GWCFXTLKSA-N 1 0 319.430 4.122 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000273016155 536902787 /nfs/dbraw/zinc/90/27/87/536902787.db2.gz ZTFXPLQLOSWNPE-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC001167070263 1035756312 /nfs/dbraw/zinc/75/63/12/1035756312.db2.gz DXAXOICARVXKGF-SFHVURJKSA-N 1 0 302.418 4.182 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC001167158425 1036228773 /nfs/dbraw/zinc/22/87/73/1036228773.db2.gz UOGDWVJDROJHOS-UHFFFAOYSA-N 1 0 324.424 4.440 20 5 DIBDRO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC001167179286 1036245154 /nfs/dbraw/zinc/24/51/54/1036245154.db2.gz YFASXUWLZGWJOK-UHFFFAOYSA-N 1 0 304.415 4.375 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000089552415 1036418112 /nfs/dbraw/zinc/41/81/12/1036418112.db2.gz YNMYTORDCVGYFW-SJKOYZFVSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000219860524 1036465062 /nfs/dbraw/zinc/46/50/62/1036465062.db2.gz BZMJOFINWVBSGH-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000610009927 1036693348 /nfs/dbraw/zinc/69/33/48/1036693348.db2.gz FOPNIRHBVHRBJA-MJGOQNOKSA-N 1 0 310.397 4.096 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000580007243 1036712703 /nfs/dbraw/zinc/71/27/03/1036712703.db2.gz GUWFRKYYUFAUKU-UHFFFAOYSA-N 1 0 316.788 4.336 20 5 DIBDRO CC[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000579376065 1036874554 /nfs/dbraw/zinc/87/45/54/1036874554.db2.gz FLOZCIXYHXQYPV-GXFFZTMASA-N 1 0 316.323 4.150 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000581396394 1037580639 /nfs/dbraw/zinc/58/06/39/1037580639.db2.gz AECGVEWHEOHYHZ-LSSBLYJVSA-N 1 0 323.396 4.230 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000834883732 1037695568 /nfs/dbraw/zinc/69/55/68/1037695568.db2.gz GRNGABMQGQTNAU-GXFFZTMASA-N 1 0 317.216 4.138 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000834883734 1037695822 /nfs/dbraw/zinc/69/58/22/1037695822.db2.gz GRNGABMQGQTNAU-ZWNOBZJWSA-N 1 0 317.216 4.138 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000834885106 1037706511 /nfs/dbraw/zinc/70/65/11/1037706511.db2.gz SZCPMPNJKNOFAV-MFKMUULPSA-N 1 0 317.216 4.138 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc2cccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000610517349 1037801464 /nfs/dbraw/zinc/80/14/64/1037801464.db2.gz APCUTXJCCBRDPM-GOSISDBHSA-N 1 0 321.380 4.384 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000477278632 1037877741 /nfs/dbraw/zinc/87/77/41/1037877741.db2.gz OFKYLKBCLGPNLX-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO CC1(C)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127261959 1037912961 /nfs/dbraw/zinc/91/29/61/1037912961.db2.gz KNMVVKOFGCMREX-UHFFFAOYSA-N 1 0 317.414 4.093 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000061003468 1038157787 /nfs/dbraw/zinc/15/77/87/1038157787.db2.gz YHFJWRPUSNNEOI-UHFFFAOYSA-N 1 0 316.376 4.190 20 5 DIBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582556 1038204373 /nfs/dbraw/zinc/20/43/73/1038204373.db2.gz XTEIMDQGGIYWLA-WFASDCNBSA-N 1 0 317.389 4.137 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1[N+](=O)[O-] ZINC000276803543 1038223625 /nfs/dbraw/zinc/22/36/25/1038223625.db2.gz MLQBFYZWGPCWSX-MLGOLLRUSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599064843 1038230593 /nfs/dbraw/zinc/23/05/93/1038230593.db2.gz FSESRBGVVJOJFL-SCLBCKFNSA-N 1 0 311.385 4.182 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC=CC2)s1 ZINC000610741120 1038285508 /nfs/dbraw/zinc/28/55/08/1038285508.db2.gz JHQSXPAYWVSUQB-UHFFFAOYSA-N 1 0 300.383 4.132 20 5 DIBDRO Cc1c(C[N@H+](Cc2ccc(F)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000603836711 1038292323 /nfs/dbraw/zinc/29/23/23/1038292323.db2.gz JHHRETIISCOEEM-UHFFFAOYSA-N 1 0 314.360 4.207 20 5 DIBDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000603837509 1038292626 /nfs/dbraw/zinc/29/26/26/1038292626.db2.gz NZKPYRWCFHLWSV-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1ccc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000603872833 1038308825 /nfs/dbraw/zinc/30/88/25/1038308825.db2.gz SULXLMBOURJDGJ-LJQANCHMSA-N 1 0 310.397 4.283 20 5 DIBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610859432 1038380596 /nfs/dbraw/zinc/38/05/96/1038380596.db2.gz RSQWFWPHHXXANI-WFASDCNBSA-N 1 0 317.389 4.137 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610859421 1038381263 /nfs/dbraw/zinc/38/12/63/1038381263.db2.gz BACSAKFLAAEEII-CYBMUJFWSA-N 1 0 317.389 4.281 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000604291627 1038388062 /nfs/dbraw/zinc/38/80/62/1038388062.db2.gz CDKYDUXNBNYRHW-UHFFFAOYSA-N 1 0 314.360 4.146 20 5 DIBDRO C[C@H](c1ccccc1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000604492516 1038420907 /nfs/dbraw/zinc/42/09/07/1038420907.db2.gz QUPZXMHGFVGHFU-OAHLLOKOSA-N 1 0 310.397 4.363 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000604561000 1038423385 /nfs/dbraw/zinc/42/33/85/1038423385.db2.gz KQTMNGIYGKIIPX-LJQANCHMSA-N 1 0 310.397 4.192 20 5 DIBDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000320329975 1038463562 /nfs/dbraw/zinc/46/35/62/1038463562.db2.gz YJJNKTNXOJURHF-AWEZNQCLSA-N 1 0 314.385 4.234 20 5 DIBDRO Cc1ccc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000611561509 1038467427 /nfs/dbraw/zinc/46/74/27/1038467427.db2.gz USFFZHNXTJRSMF-AAEUAGOBSA-N 1 0 316.323 4.066 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)o2)c1 ZINC000538726264 1038489126 /nfs/dbraw/zinc/48/91/26/1038489126.db2.gz HGOWXCQWZHEDFS-GASCZTMLSA-N 1 0 312.369 4.087 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000533962262 1038674501 /nfs/dbraw/zinc/67/45/01/1038674501.db2.gz JTBQKJXNMKQMTQ-QGZVFWFLSA-N 1 0 302.349 4.017 20 5 DIBDRO COCCC1(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000478920805 1038678865 /nfs/dbraw/zinc/67/88/65/1038678865.db2.gz HOBKAVBGILGFSA-HNNXBMFYSA-N 1 0 320.433 4.232 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@H]2c2ccsc2)cccc1[N+](=O)[O-] ZINC000051853006 1038762497 /nfs/dbraw/zinc/76/24/97/1038762497.db2.gz BSZAHDVHXVTARS-INIZCTEOSA-N 1 0 302.399 4.302 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000075756160 1038821746 /nfs/dbraw/zinc/82/17/46/1038821746.db2.gz ROQZQDKXJUACME-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO Cc1ccc(CN[C@H](C)c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000121864161 1038835589 /nfs/dbraw/zinc/83/55/89/1038835589.db2.gz WEDWVEUHVSDHKA-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000608836315 1038929936 /nfs/dbraw/zinc/92/99/36/1038929936.db2.gz HIUFTPBEBQPFEN-NTMALXAHSA-N 1 0 310.397 4.175 20 5 DIBDRO COc1ccc(C[N@H+](CC2CC2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000609040597 1038956909 /nfs/dbraw/zinc/95/69/09/1038956909.db2.gz BWTNUICXHSYMIV-UHFFFAOYSA-N 1 0 318.417 4.148 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000178687545 1038980207 /nfs/dbraw/zinc/98/02/07/1038980207.db2.gz AWGIHTDNNBZXFK-SJCJKPOMSA-N 1 0 314.360 4.380 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000178728558 1039053570 /nfs/dbraw/zinc/05/35/70/1039053570.db2.gz GDGXGAMRGFLECI-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO O=[N+]([O-])c1cccc(CN[C@H](c2ccco2)c2ccccc2)c1 ZINC000061556101 1039111198 /nfs/dbraw/zinc/11/11/98/1039111198.db2.gz RXSBDINNQDDSJM-SFHVURJKSA-N 1 0 308.337 4.067 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCC1 ZINC000609075824 1039207924 /nfs/dbraw/zinc/20/79/24/1039207924.db2.gz HANNRTNVDRXMER-UHFFFAOYSA-N 1 0 300.358 4.277 20 5 DIBDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC000539510857 1039277038 /nfs/dbraw/zinc/27/70/38/1039277038.db2.gz PWTLUALRHOOZHE-UHFFFAOYSA-N 1 0 323.396 4.291 20 5 DIBDRO C[C@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000462542180 1039321620 /nfs/dbraw/zinc/32/16/20/1039321620.db2.gz LBSOTWQFHBFQMP-LIRRHRJNSA-N 1 0 310.397 4.398 20 5 DIBDRO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1CC1 ZINC000539831425 1039362431 /nfs/dbraw/zinc/36/24/31/1039362431.db2.gz NIKFFIFAIAOTEZ-UHFFFAOYSA-N 1 0 300.358 4.087 20 5 DIBDRO C[C@H]([NH2+]CCCSc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540172356 1039437836 /nfs/dbraw/zinc/43/78/36/1039437836.db2.gz ANRSDCXLDVMRGH-AWEZNQCLSA-N 1 0 316.426 4.428 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CCCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC000193024799 1039617913 /nfs/dbraw/zinc/61/79/13/1039617913.db2.gz QTWQUDRZTOCDDQ-CVEARBPZSA-N 1 0 300.358 4.306 20 5 DIBDRO CCC[C@H]([NH2+]CCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000271566477 1039692179 /nfs/dbraw/zinc/69/21/79/1039692179.db2.gz YNFUNTGOBWXELV-HNNXBMFYSA-N 1 0 319.430 4.115 20 5 DIBDRO Cc1cnc([C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000541768237 1039743331 /nfs/dbraw/zinc/74/33/31/1039743331.db2.gz GLHDPDSZNGSTNR-DGCLKSJQSA-N 1 0 319.430 4.122 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000090217524 1039764272 /nfs/dbraw/zinc/76/42/72/1039764272.db2.gz BKCYJOMLFPZCMO-QWHCGFSZSA-N 1 0 302.374 4.470 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1N(C)C ZINC000271847970 1039846602 /nfs/dbraw/zinc/84/66/02/1039846602.db2.gz WZKMBEPVKPJWOZ-ZIAGYGMSSA-N 1 0 313.401 4.073 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1N(C)C ZINC000271847958 1039847208 /nfs/dbraw/zinc/84/72/08/1039847208.db2.gz WZKMBEPVKPJWOZ-KGLIPLIRSA-N 1 0 313.401 4.073 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC000271847964 1039848096 /nfs/dbraw/zinc/84/80/96/1039848096.db2.gz WZKMBEPVKPJWOZ-UONOGXRCSA-N 1 0 313.401 4.073 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000491579363 1039857130 /nfs/dbraw/zinc/85/71/30/1039857130.db2.gz PVEMUNCVOWKSSB-PODYEWJSSA-N 1 0 324.371 4.413 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000491595625 1039864165 /nfs/dbraw/zinc/86/41/65/1039864165.db2.gz BYKSQVLJJMMPAJ-ZDUSSCGKSA-N 1 0 312.360 4.208 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)c(F)c1 ZINC000491588016 1039865400 /nfs/dbraw/zinc/86/54/00/1039865400.db2.gz DMDXCWAWJOZMKI-NSHDSACASA-N 1 0 316.323 4.039 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000092856836 1039889992 /nfs/dbraw/zinc/88/99/92/1039889992.db2.gz KCXHVUFFBZMMBM-SGTLLEGYSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272093716 1040008990 /nfs/dbraw/zinc/00/89/90/1040008990.db2.gz XZXUTDDLBXVHIV-CQSZACIVSA-N 1 0 313.401 4.138 20 5 DIBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000179796562 1040531647 /nfs/dbraw/zinc/53/16/47/1040531647.db2.gz VUVQPKFXMCFDQY-UHFFFAOYSA-N 1 0 317.414 4.093 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411871455 1040639714 /nfs/dbraw/zinc/63/97/14/1040639714.db2.gz RQQBTARKNVOLNZ-ZDUSSCGKSA-N 1 0 306.431 4.017 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC2(CCC2)CC1 ZINC000411869400 1040640899 /nfs/dbraw/zinc/64/08/99/1040640899.db2.gz MUTPCVWVSAUUJY-ZDUSSCGKSA-N 1 0 306.431 4.017 20 5 DIBDRO COc1cc(C[N@H+](C2CC2)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000613286012 1040860607 /nfs/dbraw/zinc/86/06/07/1040860607.db2.gz SADOMGHPSYIYMS-UHFFFAOYSA-N 1 0 322.380 4.040 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000581738083 1040870351 /nfs/dbraw/zinc/87/03/51/1040870351.db2.gz ZXKLWKDVXAOLSY-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809763957 1041251310 /nfs/dbraw/zinc/25/13/10/1041251310.db2.gz BNJTYIMVAUOYFN-OAHLLOKOSA-N 1 0 319.792 4.226 20 5 DIBDRO CCC[C@H]([NH2+]CCC1CC(OCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000189266675 1041300787 /nfs/dbraw/zinc/30/07/87/1041300787.db2.gz VHFVTWHFQPLDNM-UYJHFMRCSA-N 1 0 320.433 4.231 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c1 ZINC000120169295 1041361728 /nfs/dbraw/zinc/36/17/28/1041361728.db2.gz ICEVULAHPUZEGW-GOSISDBHSA-N 1 0 311.385 4.107 20 5 DIBDRO CC[NH+](CC)Cc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000122285118 1041382614 /nfs/dbraw/zinc/38/26/14/1041382614.db2.gz XIZRCAAUSMZKSU-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000290440272 1041506022 /nfs/dbraw/zinc/50/60/22/1041506022.db2.gz LTHVZCLPAPGBCJ-YYRKOSNBSA-N 1 0 311.385 4.086 20 5 DIBDRO Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000481033032 1041519537 /nfs/dbraw/zinc/51/95/37/1041519537.db2.gz FUAHJHKITZAUPT-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000481041340 1041519570 /nfs/dbraw/zinc/51/95/70/1041519570.db2.gz PLULKOFKWGWSRZ-JSGCOSHPSA-N 1 0 316.376 4.324 20 5 DIBDRO CC(C)[C@@H]1CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811472032 1041525946 /nfs/dbraw/zinc/52/59/46/1041525946.db2.gz SHIVNMYTPFEKPT-LBPRGKRZSA-N 1 0 303.189 4.132 20 5 DIBDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811506300 1041533063 /nfs/dbraw/zinc/53/30/63/1041533063.db2.gz PJZKQUVGVMURSD-NSHDSACASA-N 1 0 303.189 4.180 20 5 DIBDRO C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417328188 1041656146 /nfs/dbraw/zinc/65/61/46/1041656146.db2.gz GPWKEGYQSCAQFI-YGRLFVJLSA-N 1 0 316.323 4.150 20 5 DIBDRO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417328170 1041656620 /nfs/dbraw/zinc/65/66/20/1041656620.db2.gz GPWKEGYQSCAQFI-HZMBPMFUSA-N 1 0 316.323 4.150 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCc2occc2C1 ZINC000584786902 1041673262 /nfs/dbraw/zinc/67/32/62/1041673262.db2.gz JKYHMZIHOSTBRO-ZDUSSCGKSA-N 1 0 300.358 4.006 20 5 DIBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000815619034 1041974771 /nfs/dbraw/zinc/97/47/71/1041974771.db2.gz AINBLPUBDUNERK-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CCCC(C)(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236768195 1042041713 /nfs/dbraw/zinc/04/17/13/1042041713.db2.gz SNKVDLIJZOXYTM-UHFFFAOYSA-N 1 0 319.430 4.387 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(CC(C)C)CC1 ZINC001170835156 1042072173 /nfs/dbraw/zinc/07/21/73/1042072173.db2.gz IFFIBAFJASFEEL-UHFFFAOYSA-N 1 0 320.433 4.252 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000396878334 1042148699 /nfs/dbraw/zinc/14/86/99/1042148699.db2.gz GGJRVPKSULPJII-GWCFXTLKSA-N 1 0 304.312 4.224 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000396878336 1042148923 /nfs/dbraw/zinc/14/89/23/1042148923.db2.gz GGJRVPKSULPJII-GXFFZTMASA-N 1 0 304.312 4.224 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc2sccc2c1 ZINC000569770983 1042239401 /nfs/dbraw/zinc/23/94/01/1042239401.db2.gz KCOCJDPWIIISQI-UHFFFAOYSA-N 1 0 312.394 4.408 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000279069915 1042268300 /nfs/dbraw/zinc/26/83/00/1042268300.db2.gz LOZFMDKFMLEVTC-SJKOYZFVSA-N 1 0 311.385 4.063 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000279154319 1042277581 /nfs/dbraw/zinc/27/75/81/1042277581.db2.gz SZOBHRMEFMXCJM-SJCJKPOMSA-N 1 0 311.385 4.063 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000061328344 1042308102 /nfs/dbraw/zinc/30/81/02/1042308102.db2.gz CMSRWEXAIILQJN-XHDPSFHLSA-N 1 0 302.399 4.385 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001171017859 1042326564 /nfs/dbraw/zinc/32/65/64/1042326564.db2.gz JLGJSVKHCHHYLS-PMACEKPBSA-N 1 0 324.424 4.405 20 5 DIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc2ccccc2c1 ZINC000015306273 1042363906 /nfs/dbraw/zinc/36/39/06/1042363906.db2.gz PENXWAVKXAHJTH-UHFFFAOYSA-N 1 0 306.365 4.380 20 5 DIBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453250762 1042429224 /nfs/dbraw/zinc/42/92/24/1042429224.db2.gz YZHPRRRIZQMDRT-SUNYJGFJSA-N 1 0 314.385 4.022 20 5 DIBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236989767 1042448007 /nfs/dbraw/zinc/44/80/07/1042448007.db2.gz AKEYHBNQEABPCJ-RYUDHWBXSA-N 1 0 319.430 4.243 20 5 DIBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000433239096 1042461907 /nfs/dbraw/zinc/46/19/07/1042461907.db2.gz JAFOLIIEFPWXFP-TVQRCGJNSA-N 1 0 316.323 4.105 20 5 DIBDRO CCOCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000151026063 1042481904 /nfs/dbraw/zinc/48/19/04/1042481904.db2.gz SNXXHCUQKICVKH-OAHLLOKOSA-N 1 0 320.433 4.232 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420942928 1042618506 /nfs/dbraw/zinc/61/85/06/1042618506.db2.gz HRYYCXTWPYRKHI-VXGBXAGGSA-N 1 0 316.323 4.320 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420942923 1042618798 /nfs/dbraw/zinc/61/87/98/1042618798.db2.gz HRYYCXTWPYRKHI-NEPJUHHUSA-N 1 0 316.323 4.320 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000237195044 1042630194 /nfs/dbraw/zinc/63/01/94/1042630194.db2.gz UVAZBXIBNYXWEX-UHFFFAOYSA-N 1 0 314.385 4.017 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000514076057 1042768390 /nfs/dbraw/zinc/76/83/90/1042768390.db2.gz QIOWTLROIHYGQP-CYBMUJFWSA-N 1 0 324.371 4.385 20 5 DIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccsc1 ZINC000425919238 1042874440 /nfs/dbraw/zinc/87/44/40/1042874440.db2.gz MPLODRXLTJLTPJ-AWEZNQCLSA-N 1 0 318.442 4.152 20 5 DIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccsc1 ZINC000425919242 1042874604 /nfs/dbraw/zinc/87/46/04/1042874604.db2.gz MPLODRXLTJLTPJ-CQSZACIVSA-N 1 0 318.442 4.152 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cc3ccccc3s2)c1 ZINC000517953945 1042903781 /nfs/dbraw/zinc/90/37/81/1042903781.db2.gz SHGOPZHLMTZWEF-UHFFFAOYSA-N 1 0 312.394 4.142 20 5 DIBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001226203744 1042989827 /nfs/dbraw/zinc/98/98/27/1042989827.db2.gz JJWLUXQZQAWMRL-VIFPVBQESA-N 1 0 321.204 4.011 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000519751020 1043001729 /nfs/dbraw/zinc/00/17/29/1043001729.db2.gz SCLHRIPQASIMBR-PNESKVBLSA-N 1 0 312.360 4.378 20 5 DIBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000441326800 1043036922 /nfs/dbraw/zinc/03/69/22/1043036922.db2.gz SRHHGLWNGUCZHG-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000441326806 1043037712 /nfs/dbraw/zinc/03/77/12/1043037712.db2.gz SRHHGLWNGUCZHG-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000049156095 1043134748 /nfs/dbraw/zinc/13/47/48/1043134748.db2.gz PQTANQHIPUHOJQ-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000178684490 1043136596 /nfs/dbraw/zinc/13/65/96/1043136596.db2.gz NYWAZVGPGKTYDG-MNOVXSKESA-N 1 0 319.430 4.334 20 5 DIBDRO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000866452034 1043204666 /nfs/dbraw/zinc/20/46/66/1043204666.db2.gz TZFHIWUKRNKARB-KTAKPFMOSA-N 1 0 320.433 4.372 20 5 DIBDRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000866539603 1043218773 /nfs/dbraw/zinc/21/87/73/1043218773.db2.gz DRHQDYFXSUPDDO-LLVKDONJSA-N 1 0 319.430 4.081 20 5 DIBDRO Cc1csc([C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000186559392 1043229075 /nfs/dbraw/zinc/22/90/75/1043229075.db2.gz DDQVSODIKFYKKS-MFKMUULPSA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cc2cnccc2o1 ZINC000866622438 1043239372 /nfs/dbraw/zinc/23/93/72/1043239372.db2.gz MLBVFBZGMBXDDL-XHDPSFHLSA-N 1 0 323.352 4.074 20 5 DIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(F)F ZINC000696586060 1043267913 /nfs/dbraw/zinc/26/79/13/1043267913.db2.gz JXCZJMVNMMDNHE-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000053149344 1043286204 /nfs/dbraw/zinc/28/62/04/1043286204.db2.gz IYTOTXFIBUWBNH-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000268787493 1043331076 /nfs/dbraw/zinc/33/10/76/1043331076.db2.gz ARZVMQADWHUJKV-NSHDSACASA-N 1 0 320.414 4.078 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000268787492 1043331339 /nfs/dbraw/zinc/33/13/39/1043331339.db2.gz ARZVMQADWHUJKV-LLVKDONJSA-N 1 0 320.414 4.078 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000268783033 1043331422 /nfs/dbraw/zinc/33/14/22/1043331422.db2.gz JFXJOZBRTDLGJZ-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000268860899 1043338725 /nfs/dbraw/zinc/33/87/25/1043338725.db2.gz BUZZBJDADMLQIT-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO CCC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271524033 1043429657 /nfs/dbraw/zinc/42/96/57/1043429657.db2.gz PVLNLUUJESBWNH-DOTOQJQBSA-N 1 0 318.417 4.127 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000872058433 1043441059 /nfs/dbraw/zinc/44/10/59/1043441059.db2.gz UNOJYXNMXUZVCW-UWVGGRQHSA-N 1 0 316.373 4.155 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060893 1043444439 /nfs/dbraw/zinc/44/44/39/1043444439.db2.gz BCFJCVDLJXCROT-IUCAKERBSA-N 1 0 308.275 4.116 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(C)(F)F ZINC000872073781 1043449773 /nfs/dbraw/zinc/44/97/73/1043449773.db2.gz RYCJWQQHCPXZQW-VIFPVBQESA-N 1 0 304.362 4.013 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(C)(F)F ZINC000872073780 1043450577 /nfs/dbraw/zinc/45/05/77/1043450577.db2.gz RYCJWQQHCPXZQW-SECBINFHSA-N 1 0 304.362 4.013 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278760 1043487591 /nfs/dbraw/zinc/48/75/91/1043487591.db2.gz ZXVMWMRDZVAPBG-GDBMZVCRSA-N 1 0 318.417 4.079 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000522069558 1043530613 /nfs/dbraw/zinc/53/06/13/1043530613.db2.gz XOJHAOZESNYYHE-CQSZACIVSA-N 1 0 316.788 4.238 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000749839470 1043534579 /nfs/dbraw/zinc/53/45/79/1043534579.db2.gz CESIRSGHMAEJPS-QWHCGFSZSA-N 1 0 302.349 4.188 20 5 DIBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000522268470 1043594396 /nfs/dbraw/zinc/59/43/96/1043594396.db2.gz VQYSEOUPCZZSDH-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000522268096 1043594520 /nfs/dbraw/zinc/59/45/20/1043594520.db2.gz IWUNLRYNBILVON-SFHVURJKSA-N 1 0 314.360 4.114 20 5 DIBDRO CC[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358377623 1043623486 /nfs/dbraw/zinc/62/34/86/1043623486.db2.gz JJSLTBFJZYEHQT-ZWKOTPCHSA-N 1 0 311.385 4.182 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000558968093 1043654461 /nfs/dbraw/zinc/65/44/61/1043654461.db2.gz AATIBLVQVSBSTH-KFWWJZLASA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCSC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000927040094 1043671550 /nfs/dbraw/zinc/67/15/50/1043671550.db2.gz WUJODSIXRIUKHZ-KBPBESRZSA-N 1 0 320.458 4.372 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3cccnc31)CCC2 ZINC000927064365 1043679660 /nfs/dbraw/zinc/67/96/60/1043679660.db2.gz SPXDAFLFNUJMKZ-MSOLQXFVSA-N 1 0 323.396 4.034 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000895831722 1043763869 /nfs/dbraw/zinc/76/38/69/1043763869.db2.gz AELOSZDNKZOHFM-UHFFFAOYSA-N 1 0 324.302 4.270 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355531786 1043774535 /nfs/dbraw/zinc/77/45/35/1043774535.db2.gz KWIRTXCKWKYJJJ-GOSISDBHSA-N 1 0 314.360 4.210 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)cc1[N+](=O)[O-] ZINC000290302502 1043938426 /nfs/dbraw/zinc/93/84/26/1043938426.db2.gz IAHLCSNMQZYCRR-CQSZACIVSA-N 1 0 314.385 4.076 20 5 DIBDRO CC(C)(C)OCCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000474980061 1044010519 /nfs/dbraw/zinc/01/05/19/1044010519.db2.gz YTTUCFNIEIMTSZ-UHFFFAOYSA-N 1 0 320.433 4.155 20 5 DIBDRO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001168045023 1044023135 /nfs/dbraw/zinc/02/31/35/1044023135.db2.gz VJNULXPXEKKNFC-DOMZBBRYSA-N 1 0 308.809 4.116 20 5 DIBDRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151717242 1044033345 /nfs/dbraw/zinc/03/33/45/1044033345.db2.gz MIXWLNCJWMBHLL-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000358327062 1044055049 /nfs/dbraw/zinc/05/50/49/1044055049.db2.gz SXWGSDBQDAWREW-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000291812169 1044106467 /nfs/dbraw/zinc/10/64/67/1044106467.db2.gz YHDBGJPBCOBLSB-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(F)c3)CCC2)cc1F ZINC000829707347 1044220224 /nfs/dbraw/zinc/22/02/24/1044220224.db2.gz ZIYLUOCBDSRYDJ-UHFFFAOYSA-N 1 0 318.323 4.042 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)CC(F)(F)C1 ZINC000883250146 1044243592 /nfs/dbraw/zinc/24/35/92/1044243592.db2.gz DCKDWHWGICDBIF-WUXMJOGZSA-N 1 0 310.344 4.023 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCC3CC3)o2)c1 ZINC000522962700 1044254943 /nfs/dbraw/zinc/25/49/43/1044254943.db2.gz PXDBPRRCSNUMHA-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO CCC[C@H]([NH2+]Cc1c(C)onc1CC)c1cccc([N+](=O)[O-])c1 ZINC000293569669 1044299988 /nfs/dbraw/zinc/29/99/88/1044299988.db2.gz BFAVUPRZOQWRDF-KRWDZBQOSA-N 1 0 317.389 4.085 20 5 DIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000523008369 1044307174 /nfs/dbraw/zinc/30/71/74/1044307174.db2.gz RCKVTTPFENUNAM-CJNGLKHVSA-N 1 0 314.360 4.112 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC001202560094 1044349961 /nfs/dbraw/zinc/34/99/61/1044349961.db2.gz AJPCERLSWBRWCJ-HKUYNNGSSA-N 1 0 310.397 4.268 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186438025 1044422196 /nfs/dbraw/zinc/42/21/96/1044422196.db2.gz VSIKPOXCGFQBRJ-HNNXBMFYSA-N 1 0 324.302 4.031 20 5 DIBDRO CC[C@@H](c1ccncc1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000565450839 1044436823 /nfs/dbraw/zinc/43/68/23/1044436823.db2.gz OVZPKGKQSCMJGH-QLBOMPFWSA-N 1 0 311.385 4.086 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1F ZINC000566476439 1044491436 /nfs/dbraw/zinc/49/14/36/1044491436.db2.gz ZFOOBFGIKHRCKW-PXAZEXFGSA-N 1 0 314.360 4.380 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)cs1 ZINC000475560781 1044501543 /nfs/dbraw/zinc/50/15/43/1044501543.db2.gz VSDUJFRVMLNPIZ-UKRRQHHQSA-N 1 0 320.389 4.221 20 5 DIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783597538 1044503753 /nfs/dbraw/zinc/50/37/53/1044503753.db2.gz NLJDREUBWQVPTM-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000127256717 1044529117 /nfs/dbraw/zinc/52/91/17/1044529117.db2.gz NOJXNCZVUVUMQE-GJZGRUSLSA-N 1 0 318.417 4.046 20 5 DIBDRO COc1ccc(C[NH2+]C2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC001649166540 1044545219 /nfs/dbraw/zinc/54/52/19/1044545219.db2.gz UTJTWUAEEWKZEY-UHFFFAOYSA-N 1 0 318.417 4.196 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886112141 1044617663 /nfs/dbraw/zinc/61/76/63/1044617663.db2.gz QLQFUPIWGCCOLH-INIZCTEOSA-N 1 0 313.401 4.175 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC000089512223 1044740349 /nfs/dbraw/zinc/74/03/49/1044740349.db2.gz UQRAZDZKMAFTJZ-NSHDSACASA-N 1 0 320.389 4.307 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCc2ccco2)c2ccccc2)c1 ZINC000156234221 1044781608 /nfs/dbraw/zinc/78/16/08/1044781608.db2.gz WGUAYEYBDAAFBA-LJQANCHMSA-N 1 0 322.364 4.110 20 5 DIBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000524426381 1044840305 /nfs/dbraw/zinc/84/03/05/1044840305.db2.gz XHPGBLCQXMZPRQ-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000445995329 1044869381 /nfs/dbraw/zinc/86/93/81/1044869381.db2.gz SMEDOOPBFAFRGV-YOEHRIQHSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524592148 1044882757 /nfs/dbraw/zinc/88/27/57/1044882757.db2.gz BKRFAQCPMBIXJS-DOTOQJQBSA-N 1 0 310.397 4.281 20 5 DIBDRO Cc1c([C@@H](C)NCc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000133039153 1044924305 /nfs/dbraw/zinc/92/43/05/1044924305.db2.gz BDAUGJJXONTKNU-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000133632607 1044941261 /nfs/dbraw/zinc/94/12/61/1044941261.db2.gz UIFKIMOCNHWUAJ-SUMWQHHRSA-N 1 0 312.369 4.159 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CC[C@@H](F)C2)c2ccccc2)c1 ZINC000577239112 1045109610 /nfs/dbraw/zinc/10/96/10/1045109610.db2.gz LXXHDARKXRNGQC-JFIYKMOQSA-N 1 0 314.360 4.164 20 5 DIBDRO CCc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000525709216 1045113003 /nfs/dbraw/zinc/11/30/03/1045113003.db2.gz DKBAKUVSNMCSQF-UHFFFAOYSA-N 1 0 318.442 4.331 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CO2 ZINC000577347294 1045119603 /nfs/dbraw/zinc/11/96/03/1045119603.db2.gz OYNFMMMECLGLME-ROUUACIJSA-N 1 0 324.380 4.004 20 5 DIBDRO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467856867 1045134763 /nfs/dbraw/zinc/13/47/63/1045134763.db2.gz SHXNAMPYFTXMLC-UONOGXRCSA-N 1 0 316.426 4.426 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000468386732 1045138110 /nfs/dbraw/zinc/13/81/10/1045138110.db2.gz ZBGBPPVCEXETOA-GXTWGEPZSA-N 1 0 316.401 4.477 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)cc1F)CCC2 ZINC000447539056 1045143219 /nfs/dbraw/zinc/14/32/19/1045143219.db2.gz FMERCKXGUZXHKK-KRWDZBQOSA-N 1 0 318.323 4.040 20 5 DIBDRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000577633878 1045145138 /nfs/dbraw/zinc/14/51/38/1045145138.db2.gz DRAZOXJZPFARHJ-CCKFTAQKSA-N 1 0 310.397 4.439 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447609980 1045159961 /nfs/dbraw/zinc/15/99/61/1045159961.db2.gz ZVIRAIHMXPMEPC-BXUZGUMPSA-N 1 0 316.323 4.293 20 5 DIBDRO C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000048334959 1045192427 /nfs/dbraw/zinc/19/24/27/1045192427.db2.gz CTBPDTGWHSLISS-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000048334957 1045192461 /nfs/dbraw/zinc/19/24/61/1045192461.db2.gz CTBPDTGWHSLISS-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000527249529 1045207644 /nfs/dbraw/zinc/20/76/44/1045207644.db2.gz CYHXGBWSDKPPIA-MRXNPFEDSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000449351430 1045380019 /nfs/dbraw/zinc/38/00/19/1045380019.db2.gz PHPZUXSKFCGKLX-SFHVURJKSA-N 1 0 314.360 4.210 20 5 DIBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000449350893 1045380334 /nfs/dbraw/zinc/38/03/34/1045380334.db2.gz XSYGXOLHQZFYRZ-NSHDSACASA-N 1 0 302.399 4.385 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000449352637 1045380896 /nfs/dbraw/zinc/38/08/96/1045380896.db2.gz XCOVPLWCHIPNNX-UHFFFAOYSA-N 1 0 300.349 4.243 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000449460897 1045395474 /nfs/dbraw/zinc/39/54/74/1045395474.db2.gz OFDHISKPZXRSPH-WCQYABFASA-N 1 0 316.323 4.066 20 5 DIBDRO CC[NH+](CC)Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000190380584 1045540413 /nfs/dbraw/zinc/54/04/13/1045540413.db2.gz AKTQKLTZZMQODU-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](c2ncccc2C)C(C)C)cc1[N+](=O)[O-] ZINC000115622139 1045572015 /nfs/dbraw/zinc/57/20/15/1045572015.db2.gz YPRHHTYSRNORCM-KRWDZBQOSA-N 1 0 313.401 4.094 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1 ZINC000800275254 1045601216 /nfs/dbraw/zinc/60/12/16/1045601216.db2.gz YFYZDJNWFPYQOA-JTQLQIEISA-N 1 0 318.751 4.163 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000451164256 1045637334 /nfs/dbraw/zinc/63/73/34/1045637334.db2.gz SFBREESZSUGIQY-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000451162666 1045637595 /nfs/dbraw/zinc/63/75/95/1045637595.db2.gz QDDWJNKLDVQXQS-OLZOCXBDSA-N 1 0 302.349 4.454 20 5 DIBDRO COC1CCC(C)(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000530364110 1045651388 /nfs/dbraw/zinc/65/13/88/1045651388.db2.gz JIAXEDVOIKHMBE-NXVRBGIVSA-N 1 0 320.433 4.149 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000801521240 1045727625 /nfs/dbraw/zinc/72/76/25/1045727625.db2.gz ZFYDONDYCTWGBL-QGZVFWFLSA-N 1 0 320.339 4.360 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cc2ccccc2o1 ZINC000801545928 1045735050 /nfs/dbraw/zinc/73/50/50/1045735050.db2.gz GEUJQIFRYFIRGM-NSHDSACASA-N 1 0 314.316 4.331 20 5 DIBDRO CCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000530968358 1045763749 /nfs/dbraw/zinc/76/37/49/1045763749.db2.gz VWVYHZUVQLGCFV-UHFFFAOYSA-N 1 0 300.358 4.277 20 5 DIBDRO O[C@H]1CC[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000753852084 1045810927 /nfs/dbraw/zinc/81/09/27/1045810927.db2.gz WJVYRAPXFBEPLC-IYARVYRRSA-N 1 0 305.421 4.386 20 5 DIBDRO CSCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753967691 1045826552 /nfs/dbraw/zinc/82/65/52/1045826552.db2.gz GMWQAKKQDZNEJS-LZWOXQAQSA-N 1 0 322.474 4.037 20 5 DIBDRO CC(C)(C)SCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000801933787 1045850627 /nfs/dbraw/zinc/85/06/27/1045850627.db2.gz GDQHAAFDXXLBPP-UHFFFAOYSA-N 1 0 308.447 4.091 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CC1CC1)C1CCC1 ZINC000475681351 1045908535 /nfs/dbraw/zinc/90/85/35/1045908535.db2.gz VLARYKGUUFKGRI-GXDHUFHOSA-N 1 0 300.402 4.263 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000531724598 1045912496 /nfs/dbraw/zinc/91/24/96/1045912496.db2.gz ILHNXOIBQGDOMZ-JSGCOSHPSA-N 1 0 318.442 4.494 20 5 DIBDRO CCC[C@@H]([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000453219943 1045990516 /nfs/dbraw/zinc/99/05/16/1045990516.db2.gz NJOGAZIPXIOCIS-GOSISDBHSA-N 1 0 320.433 4.232 20 5 DIBDRO Cc1c([C@H](C)[N@@H+]2CCC[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000453367144 1046067798 /nfs/dbraw/zinc/06/77/98/1046067798.db2.gz PQXHRFQZQZMFJX-YOEHRIQHSA-N 1 0 320.458 4.183 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000237606994 1046105062 /nfs/dbraw/zinc/10/50/62/1046105062.db2.gz JIMCHJAVINDYTA-STQMWFEESA-N 1 0 316.323 4.114 20 5 DIBDRO Cc1c(C[NH2+]Cc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000237605208 1046105890 /nfs/dbraw/zinc/10/58/90/1046105890.db2.gz VNROSHADIJCSDF-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO CC(C)Oc1cccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000195670866 1046129539 /nfs/dbraw/zinc/12/95/39/1046129539.db2.gz NRMHEFOCJIICER-UHFFFAOYSA-N 1 0 314.385 4.014 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000757703298 1046203369 /nfs/dbraw/zinc/20/33/69/1046203369.db2.gz GJANBDOLFLVLHO-KRWDZBQOSA-N 1 0 324.380 4.131 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000903246889 1046207691 /nfs/dbraw/zinc/20/76/91/1046207691.db2.gz YGVCPOQOURYVRC-VXGBXAGGSA-N 1 0 319.792 4.098 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000903247211 1046208234 /nfs/dbraw/zinc/20/82/34/1046208234.db2.gz ZZKRWNAMYIWAAL-OCCSQVGLSA-N 1 0 313.401 4.061 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903289826 1046223381 /nfs/dbraw/zinc/22/33/81/1046223381.db2.gz YJQFHNCDLZBKGV-GHMZBOCLSA-N 1 0 306.312 4.285 20 5 DIBDRO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287343 1046224181 /nfs/dbraw/zinc/22/41/81/1046224181.db2.gz OIGMLTFZLBVHOG-MNOVXSKESA-N 1 0 306.387 4.077 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000903286810 1046224355 /nfs/dbraw/zinc/22/43/55/1046224355.db2.gz HDDUORXRLZTIHS-GHMZBOCLSA-N 1 0 305.765 4.055 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000903287881 1046225058 /nfs/dbraw/zinc/22/50/58/1046225058.db2.gz SDQWRHDFLSNGLV-ZIAGYGMSSA-N 1 0 313.401 4.073 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000903311866 1046233382 /nfs/dbraw/zinc/23/33/82/1046233382.db2.gz RUNCZOAMEWWVMX-BXUZGUMPSA-N 1 0 305.403 4.243 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000903311868 1046234422 /nfs/dbraw/zinc/23/44/22/1046234422.db2.gz RUNCZOAMEWWVMX-RISCZKNCSA-N 1 0 305.403 4.243 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000903341254 1046253941 /nfs/dbraw/zinc/25/39/41/1046253941.db2.gz WWMLBACWJTVONL-FZKQIMNGSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccncc2)C2CC2)cccc1[N+](=O)[O-] ZINC000903430062 1046278849 /nfs/dbraw/zinc/27/88/49/1046278849.db2.gz XJMDVIDSIWQTRZ-SCLBCKFNSA-N 1 0 311.385 4.100 20 5 DIBDRO C[C@H](CO)CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000758587040 1046278907 /nfs/dbraw/zinc/27/89/07/1046278907.db2.gz NBZMUBPNKYQOSE-INIZCTEOSA-N 1 0 307.437 4.491 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000089552418 1046288368 /nfs/dbraw/zinc/28/83/68/1046288368.db2.gz YNMYTORDCVGYFW-SJCJKPOMSA-N 1 0 314.360 4.380 20 5 DIBDRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000614822436 1046393019 /nfs/dbraw/zinc/39/30/19/1046393019.db2.gz LYRUTNPOLJUSSN-UHFFFAOYSA-N 1 0 310.703 4.069 20 5 DIBDRO COc1ccc(C[NH2+]Cc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000782540581 1046535857 /nfs/dbraw/zinc/53/58/57/1046535857.db2.gz WLDFBUFLLFUZDP-UHFFFAOYSA-N 1 0 314.385 4.017 20 5 DIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000536638553 1046599014 /nfs/dbraw/zinc/59/90/14/1046599014.db2.gz GAHUUNNVFKOWBS-HNNXBMFYSA-N 1 0 302.399 4.302 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1Cl ZINC000783570415 1046610827 /nfs/dbraw/zinc/61/08/27/1046610827.db2.gz GNGVASYHSWBQGS-OAHLLOKOSA-N 1 0 316.788 4.065 20 5 DIBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783599185 1046613236 /nfs/dbraw/zinc/61/32/36/1046613236.db2.gz YDTSGZDIGNZHDU-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783718117 1046628154 /nfs/dbraw/zinc/62/81/54/1046628154.db2.gz NZCCMYHFCBNJTD-UHFFFAOYSA-N 1 0 310.703 4.069 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(Cl)c1 ZINC000094773363 1046685337 /nfs/dbraw/zinc/68/53/37/1046685337.db2.gz BDXPUOCYTWWPHJ-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C34CCC(CC3)C4)o2)cc1 ZINC000784640624 1046705241 /nfs/dbraw/zinc/70/52/41/1046705241.db2.gz MTFUFJLSQRYXGR-UHFFFAOYSA-N 1 0 312.369 4.277 20 5 DIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536670976 1047063045 /nfs/dbraw/zinc/06/30/45/1047063045.db2.gz FMSUHSJXJCMBSW-MMAALDBVSA-N 1 0 320.458 4.214 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000536877394 1047118511 /nfs/dbraw/zinc/11/85/11/1047118511.db2.gz OBWPRWHSCWRNIY-OAHLLOKOSA-N 1 0 302.761 4.025 20 5 DIBDRO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141723408 1047278146 /nfs/dbraw/zinc/27/81/46/1047278146.db2.gz WRERMFLWEXBOFA-CRAIPNDOSA-N 1 0 323.411 4.145 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1O ZINC001141722939 1047278235 /nfs/dbraw/zinc/27/82/35/1047278235.db2.gz LGHFWUMKVTVSGK-VFNWGFHPSA-N 1 0 305.421 4.196 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001141727898 1047281072 /nfs/dbraw/zinc/28/10/72/1047281072.db2.gz GMPWQCXRVGPHCX-OALUTQOASA-N 1 0 317.432 4.461 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC3(CC3(F)F)C1)CCCC2 ZINC001118491289 1047300376 /nfs/dbraw/zinc/30/03/76/1047300376.db2.gz KBEJZTUKVAXCAU-DSSZZKGTSA-N 1 0 322.355 4.140 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000385806497 1047317767 /nfs/dbraw/zinc/31/77/67/1047317767.db2.gz RAGXAXMTLACSLV-CYBMUJFWSA-N 1 0 316.426 4.210 20 5 DIBDRO C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000841062863 1047377071 /nfs/dbraw/zinc/37/70/71/1047377071.db2.gz CZBBNIPFKAAUCK-BTYIYWSLSA-N 1 0 304.437 4.081 20 5 DIBDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000071269826 1047436258 /nfs/dbraw/zinc/43/62/58/1047436258.db2.gz NKNODXFLMOGCKZ-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000152606144 1047450104 /nfs/dbraw/zinc/45/01/04/1047450104.db2.gz ZBAYUWJCJWLSSS-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000537958044 1047646734 /nfs/dbraw/zinc/64/67/34/1047646734.db2.gz DWMGBRGBLFJFGB-IAGOWNOFSA-N 1 0 312.369 4.078 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3C[C@H]4CCC[C@@H]4C3)o2)c1 ZINC000538726266 1047700985 /nfs/dbraw/zinc/70/09/85/1047700985.db2.gz HGOWXCQWZHEDFS-HUUCEWRRSA-N 1 0 312.369 4.087 20 5 DIBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000538751980 1047708639 /nfs/dbraw/zinc/70/86/39/1047708639.db2.gz AAYOEPVUFIWBBE-AWEZNQCLSA-N 1 0 308.447 4.046 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000539055500 1047728015 /nfs/dbraw/zinc/72/80/15/1047728015.db2.gz VCYCQLCZQFKUDE-CYBMUJFWSA-N 1 0 306.406 4.080 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000927037152 1047767979 /nfs/dbraw/zinc/76/79/79/1047767979.db2.gz LGBIERHXURFQKK-OCCSQVGLSA-N 1 0 306.431 4.064 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCC(F)CC1 ZINC001183083299 1047880952 /nfs/dbraw/zinc/88/09/52/1047880952.db2.gz DJAZSHPCMSVEQA-JPQBHMHHSA-N 1 0 322.424 4.422 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)COCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001198000665 1047912287 /nfs/dbraw/zinc/91/22/87/1047912287.db2.gz IQYOZCKCQXWWPD-LSDHHAIUSA-N 1 0 320.433 4.231 20 5 DIBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cccc(C3CC[NH2+]CC3)c2)cc1 ZINC001159756924 1047916349 /nfs/dbraw/zinc/91/63/49/1047916349.db2.gz FZFHYAVXFUGNDI-JLHYYAGUSA-N 1 0 323.396 4.145 20 5 DIBDRO Cc1cc(C)c2c(c1)CC[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC001198851836 1048012091 /nfs/dbraw/zinc/01/20/91/1048012091.db2.gz LFDJTGXISWITQT-OAHLLOKOSA-N 1 0 310.397 4.331 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4cccc(O)c4)cc3[nH+]c2c1 ZINC001174893825 1048015241 /nfs/dbraw/zinc/01/52/41/1048015241.db2.gz GBQDOMMMROEHAM-UHFFFAOYSA-N 1 0 301.349 4.419 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001199059703 1048031309 /nfs/dbraw/zinc/03/13/09/1048031309.db2.gz FRGVTCLRTFHINC-LCYFTJDESA-N 1 0 316.788 4.441 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000773427411 1048033646 /nfs/dbraw/zinc/03/36/46/1048033646.db2.gz LJJJSMGFSYASFH-LLVKDONJSA-N 1 0 319.792 4.056 20 5 DIBDRO C[C@H](Cn1cccn1)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001199188503 1048043762 /nfs/dbraw/zinc/04/37/62/1048043762.db2.gz DNBDFXUWTZQVGD-MRXNPFEDSA-N 1 0 315.420 4.368 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CCc2ccco2)cccc1[N+](=O)[O-] ZINC000480086085 1048048406 /nfs/dbraw/zinc/04/84/06/1048048406.db2.gz WLQGMBWNSXIYCZ-JSGCOSHPSA-N 1 0 302.374 4.168 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000480159602 1048071263 /nfs/dbraw/zinc/07/12/63/1048071263.db2.gz MIMNJDQEENLTDD-GHMZBOCLSA-N 1 0 304.312 4.367 20 5 DIBDRO CCC(CC)[C@H](CNc1cc(C)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184739502 1048087912 /nfs/dbraw/zinc/08/79/12/1048087912.db2.gz GVVACHSVKJHGPW-SFHVURJKSA-N 1 0 319.449 4.216 20 5 DIBDRO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC001175052529 1048112605 /nfs/dbraw/zinc/11/26/05/1048112605.db2.gz GXNFIRMPJFWMIV-UJAVWCLSSA-N 1 0 318.417 4.172 20 5 DIBDRO Cc1ccccc1C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC001199981604 1048132141 /nfs/dbraw/zinc/13/21/41/1048132141.db2.gz ZBQOBLGPYQKBIB-UHFFFAOYSA-N 1 0 310.397 4.033 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000480673070 1048213300 /nfs/dbraw/zinc/21/33/00/1048213300.db2.gz QITAEXUWZQUQCH-GXFFZTMASA-N 1 0 304.312 4.224 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C2(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480681508 1048222970 /nfs/dbraw/zinc/22/29/70/1048222970.db2.gz ZUDRNKCFDONKDL-OAHLLOKOSA-N 1 0 310.397 4.329 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccc2c(ccn2C)c1 ZINC001162169271 1048235233 /nfs/dbraw/zinc/23/52/33/1048235233.db2.gz LVHDKBALJNYAFT-UHFFFAOYSA-N 1 0 322.476 4.387 20 5 DIBDRO Cc1cc(NCCCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001162278686 1048255861 /nfs/dbraw/zinc/25/58/61/1048255861.db2.gz YPDUWNMVBJILKO-UHFFFAOYSA-N 1 0 319.449 4.361 20 5 DIBDRO [NH3+]Cc1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1F ZINC001162522824 1048296063 /nfs/dbraw/zinc/29/60/63/1048296063.db2.gz QYZSJMIJLPWCNY-UHFFFAOYSA-N 1 0 318.355 4.124 20 5 DIBDRO CC1=C(c2ccco2)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000555338531 1048320410 /nfs/dbraw/zinc/32/04/10/1048320410.db2.gz HFJILDLFQFMHNX-QPJJXVBHSA-N 1 0 324.380 4.380 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000600112071 1048362269 /nfs/dbraw/zinc/36/22/69/1048362269.db2.gz NYDQOLXYPCUGBR-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCc1cn(C)c2ccccc12 ZINC001162831836 1048370862 /nfs/dbraw/zinc/37/08/62/1048370862.db2.gz UTXRGNWJQAYENN-UHFFFAOYSA-N 1 0 322.476 4.387 20 5 DIBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001162914441 1048388033 /nfs/dbraw/zinc/38/80/33/1048388033.db2.gz UJQCBWTUPYTFOH-NSHDSACASA-N 1 0 313.332 4.006 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000776232889 1048431383 /nfs/dbraw/zinc/43/13/83/1048431383.db2.gz TXZIGHKMZJKBER-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO CC1([NH+]2CCC2)CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001187799231 1048442938 /nfs/dbraw/zinc/44/29/38/1048442938.db2.gz PQZDYEYJNYZLJN-UHFFFAOYSA-N 1 0 323.824 4.067 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCc1ccccc1F ZINC001202241626 1048500641 /nfs/dbraw/zinc/50/06/41/1048500641.db2.gz FFUCEGWENVTMQB-UHFFFAOYSA-N 1 0 316.376 4.073 20 5 DIBDRO Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000482490149 1048616304 /nfs/dbraw/zinc/61/63/04/1048616304.db2.gz XFQFZCNBLOBLGH-WCQYABFASA-N 1 0 316.323 4.066 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000482511021 1048625842 /nfs/dbraw/zinc/62/58/42/1048625842.db2.gz OIIVAKVPKHHSHO-SMDDNHRTSA-N 1 0 316.323 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CCCCC2)C2CC2)c(F)c1 ZINC001190426139 1048736844 /nfs/dbraw/zinc/73/68/44/1048736844.db2.gz ACIFWAJXNULJDD-UHFFFAOYSA-N 1 0 306.381 4.279 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000483126187 1048741984 /nfs/dbraw/zinc/74/19/84/1048741984.db2.gz UHVHHQJFRIWFNH-INIZCTEOSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000483149725 1048746566 /nfs/dbraw/zinc/74/65/66/1048746566.db2.gz BBVLNOJYJVZNMO-XHDPSFHLSA-N 1 0 300.383 4.092 20 5 DIBDRO CC(C)[N@H+](CC[N+](=O)[O-])Cc1ccc(-c2ccccc2F)s1 ZINC001190529544 1048750423 /nfs/dbraw/zinc/75/04/23/1048750423.db2.gz SPKJDARBONYIPR-UHFFFAOYSA-N 1 0 322.405 4.041 20 5 DIBDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001176654851 1048766060 /nfs/dbraw/zinc/76/60/60/1048766060.db2.gz BVIGLQMZVVUNQU-QGZVFWFLSA-N 1 0 310.397 4.363 20 5 DIBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCC1CC[NH+](C(C)C)CC1 ZINC001166615915 1048771761 /nfs/dbraw/zinc/77/17/61/1048771761.db2.gz OMBSXANNAXFZAW-UHFFFAOYSA-N 1 0 319.449 4.052 20 5 DIBDRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001190683387 1048778623 /nfs/dbraw/zinc/77/86/23/1048778623.db2.gz WKJDSAVLQIOUOX-GOSISDBHSA-N 1 0 324.424 4.358 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC12CCCCC2 ZINC001176760880 1048789505 /nfs/dbraw/zinc/78/95/05/1048789505.db2.gz JEVTYKVQOGIPRP-WMLDXEAASA-N 1 0 318.417 4.046 20 5 DIBDRO CC[C@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000851903733 1048811302 /nfs/dbraw/zinc/81/13/02/1048811302.db2.gz ZETIMLVJUPEGKG-KRWDZBQOSA-N 1 0 302.349 4.149 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000483654638 1048836874 /nfs/dbraw/zinc/83/68/74/1048836874.db2.gz OHWDBXSSGXFBCQ-HIFRSBDPSA-N 1 0 316.401 4.477 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000483654636 1048838490 /nfs/dbraw/zinc/83/84/90/1048838490.db2.gz OHWDBXSSGXFBCQ-DZGCQCFKSA-N 1 0 316.401 4.477 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1F ZINC000852448678 1048842732 /nfs/dbraw/zinc/84/27/32/1048842732.db2.gz MRTYESDYCYJLFU-QGZVFWFLSA-N 1 0 320.339 4.360 20 5 DIBDRO CCO[C@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000483842931 1048869376 /nfs/dbraw/zinc/86/93/76/1048869376.db2.gz RYRLVCAZXHVZDQ-RHSMWYFYSA-N 1 0 308.422 4.005 20 5 DIBDRO C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000484127113 1048901594 /nfs/dbraw/zinc/90/15/94/1048901594.db2.gz HLMPKRLMDMZDEO-ZDUSSCGKSA-N 1 0 314.360 4.116 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001203478991 1048911951 /nfs/dbraw/zinc/91/19/51/1048911951.db2.gz MVPICCNOGXAJFC-CYBMUJFWSA-N 1 0 312.360 4.127 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC001177576324 1048918613 /nfs/dbraw/zinc/91/86/13/1048918613.db2.gz VVOLBHMFJOHONE-HRQLYBHBSA-N 1 0 302.418 4.414 20 5 DIBDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000484480399 1048949655 /nfs/dbraw/zinc/94/96/55/1048949655.db2.gz NMEVLCBEQZVMRP-DUVNUKRYSA-N 1 0 308.447 4.310 20 5 DIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000775462762 1048956339 /nfs/dbraw/zinc/95/63/39/1048956339.db2.gz DSXAUWULTQNSSP-UHFFFAOYSA-N 1 0 316.376 4.321 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC(CC)(CC)C2)ccc1[N+](=O)[O-] ZINC001191541242 1048961704 /nfs/dbraw/zinc/96/17/04/1048961704.db2.gz PXGOTVZBYLYDHB-UHFFFAOYSA-N 1 0 306.406 4.006 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3c(c2)CCC3)C2CC2)c1 ZINC001191682384 1048974906 /nfs/dbraw/zinc/97/49/06/1048974906.db2.gz QGDHQGCYNREICJ-UHFFFAOYSA-N 1 0 322.408 4.248 20 5 DIBDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001178272286 1049009944 /nfs/dbraw/zinc/00/99/44/1049009944.db2.gz NMHCOSKMNQHKFI-ZDUSSCGKSA-N 1 0 302.374 4.379 20 5 DIBDRO Cc1cc(C)c(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC001178276321 1049010016 /nfs/dbraw/zinc/01/00/16/1049010016.db2.gz LVSCGZLCZLCVPX-UHFFFAOYSA-N 1 0 312.413 4.161 20 5 DIBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001192173989 1049053931 /nfs/dbraw/zinc/05/39/31/1049053931.db2.gz NPNBACQFZOTYFL-WFASDCNBSA-N 1 0 324.396 4.143 20 5 DIBDRO c1cc2ccc3ccc(C[NH+]4CC5(COC5)C4)c4ccc(c1)c2c34 ZINC001204001308 1049058827 /nfs/dbraw/zinc/05/88/27/1049058827.db2.gz DWKGJNLMCSIGKA-UHFFFAOYSA-N 1 0 313.400 4.416 20 5 DIBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001192215023 1049061673 /nfs/dbraw/zinc/06/16/73/1049061673.db2.gz RYGHXIREDIKYSI-ZDUSSCGKSA-N 1 0 316.405 4.016 20 5 DIBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001192214464 1049062154 /nfs/dbraw/zinc/06/21/54/1049062154.db2.gz PSFZKOUBTMZOSB-AWEZNQCLSA-N 1 0 321.377 4.048 20 5 DIBDRO CC[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001192224978 1049065226 /nfs/dbraw/zinc/06/52/26/1049065226.db2.gz VCVDBHSXEXZCOC-AWEZNQCLSA-N 1 0 316.323 4.236 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000925490417 1049098377 /nfs/dbraw/zinc/09/83/77/1049098377.db2.gz BEUIIWCROBXNQP-VXGBXAGGSA-N 1 0 318.348 4.160 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC001178868581 1049103459 /nfs/dbraw/zinc/10/34/59/1049103459.db2.gz UUIWKWNVQOXUOT-SFHVURJKSA-N 1 0 302.418 4.387 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C2CC2)cc1 ZINC001204262015 1049122941 /nfs/dbraw/zinc/12/29/41/1049122941.db2.gz UPPJOWBEAQNENB-YLJYHZDGSA-N 1 0 322.408 4.363 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000857083279 1049127348 /nfs/dbraw/zinc/12/73/48/1049127348.db2.gz WCDWOBXTSTXGGE-QWRGUYRKSA-N 1 0 317.216 4.138 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857083108 1049127690 /nfs/dbraw/zinc/12/76/90/1049127690.db2.gz TVHNETMYGVYACF-MNOVXSKESA-N 1 0 317.216 4.138 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H]4C[C@H]4C3)o2)cc1 ZINC001179086240 1049130428 /nfs/dbraw/zinc/13/04/28/1049130428.db2.gz PBTIXGGUXFVNHQ-SOUVJXGZSA-N 1 0 312.369 4.133 20 5 DIBDRO Cc1ccc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001192927791 1049156175 /nfs/dbraw/zinc/15/61/75/1049156175.db2.gz CQCABPXQQQQMLT-UHFFFAOYSA-N 1 0 310.397 4.110 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(F)c3ccccc23)cc1[N+](=O)[O-] ZINC001179390057 1049162262 /nfs/dbraw/zinc/16/22/62/1049162262.db2.gz APJGHCGSOQCSPU-UHFFFAOYSA-N 1 0 324.355 4.485 20 5 DIBDRO C[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001179575888 1049179887 /nfs/dbraw/zinc/17/98/87/1049179887.db2.gz YJTIKGZNDIFKNP-ZZKXABKFSA-N 1 0 318.323 4.237 20 5 DIBDRO C[C@H]([NH2+]C/C=C/c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001179580003 1049185981 /nfs/dbraw/zinc/18/59/81/1049185981.db2.gz ZIRDKQZJYSZJRR-LQPUYASZSA-N 1 0 300.333 4.098 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173368890 1049189099 /nfs/dbraw/zinc/18/90/99/1049189099.db2.gz JXAREXWFQKJUJC-CXAGYDPISA-N 1 0 312.369 4.159 20 5 DIBDRO Cn1cnc(C[NH2+]Cc2c3ccccc3cc3ccccc32)c1 ZINC001179771420 1049201130 /nfs/dbraw/zinc/20/11/30/1049201130.db2.gz DJGJXHMXHFPSER-UHFFFAOYSA-N 1 0 301.393 4.016 20 5 DIBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001193448503 1049206999 /nfs/dbraw/zinc/20/69/99/1049206999.db2.gz PWWHFEUNUJTUSP-CABCVRRESA-N 1 0 306.406 4.004 20 5 DIBDRO c1ccc2c(c1)c1cc3ccccc3oc-1c2CN1CC[NH2+]CC1 ZINC001204630648 1049207461 /nfs/dbraw/zinc/20/74/61/1049207461.db2.gz QPNORYHDFCIXLC-UHFFFAOYSA-N 1 0 316.404 4.096 20 5 DIBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001204657602 1049213613 /nfs/dbraw/zinc/21/36/13/1049213613.db2.gz JKSKHHXICQIFBF-CYBMUJFWSA-N 1 0 316.323 4.234 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001193497003 1049215989 /nfs/dbraw/zinc/21/59/89/1049215989.db2.gz JNISXVCTKFFKGN-YJBOKZPZSA-N 1 0 320.433 4.168 20 5 DIBDRO CN(CC[NH3+])Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001204700024 1049233027 /nfs/dbraw/zinc/23/30/27/1049233027.db2.gz VPLBMSCPYOTXBC-UHFFFAOYSA-N 1 0 304.393 4.081 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccccc1F ZINC001204714698 1049238089 /nfs/dbraw/zinc/23/80/89/1049238089.db2.gz YHAUMPOGZZXTCW-UVTDQMKNSA-N 1 0 314.360 4.269 20 5 DIBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001180202902 1049308702 /nfs/dbraw/zinc/30/87/02/1049308702.db2.gz DZRVYKHTVYJFEW-GXFFZTMASA-N 1 0 316.323 4.234 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001180297004 1049339523 /nfs/dbraw/zinc/33/95/23/1049339523.db2.gz OHZKCTSEDGQLBK-UXIGCNINSA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@H]1CCC[C@@H](C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001180349668 1049343211 /nfs/dbraw/zinc/34/32/11/1049343211.db2.gz NZKURLHDOYROBW-QWHCGFSZSA-N 1 0 310.825 4.207 20 5 DIBDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001194259887 1049349432 /nfs/dbraw/zinc/34/94/32/1049349432.db2.gz ABYKPCJWYUGDFK-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001194790966 1049421978 /nfs/dbraw/zinc/42/19/78/1049421978.db2.gz AVJDAYMLKVTAKP-HUUCEWRRSA-N 1 0 320.433 4.120 20 5 DIBDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001194790965 1049422298 /nfs/dbraw/zinc/42/22/98/1049422298.db2.gz AVJDAYMLKVTAKP-GJZGRUSLSA-N 1 0 320.433 4.120 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC001205435015 1049469062 /nfs/dbraw/zinc/46/90/62/1049469062.db2.gz UDIUACJBBHXFNB-OBHPCNEJSA-N 1 0 302.418 4.366 20 5 DIBDRO CCCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001181418885 1049472368 /nfs/dbraw/zinc/47/23/68/1049472368.db2.gz QLVYZJZPWWLCQJ-SNVBAGLBSA-N 1 0 304.312 4.282 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cs1 ZINC000486903492 1049490850 /nfs/dbraw/zinc/49/08/50/1049490850.db2.gz JWFDOPCIHSVZMC-HZPDHXFCSA-N 1 0 316.426 4.472 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(C2CC2)c1 ZINC001205755969 1049554807 /nfs/dbraw/zinc/55/48/07/1049554807.db2.gz QPLVOUHNGNJRJS-UHFFFAOYSA-N 1 0 310.397 4.147 20 5 DIBDRO CC[C@H]([NH3+])Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001205837408 1049580008 /nfs/dbraw/zinc/58/00/08/1049580008.db2.gz SLIDJPMYRLNEAT-AWEZNQCLSA-N 1 0 317.392 4.323 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CCCCC2)CC1 ZINC001195938648 1049586066 /nfs/dbraw/zinc/58/60/66/1049586066.db2.gz QNGHAVZOLVMCAH-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO CCC1(c2ccccc2)C[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001182261974 1049601267 /nfs/dbraw/zinc/60/12/67/1049601267.db2.gz PNHXZEIOHRVQJU-UHFFFAOYSA-N 1 0 324.424 4.375 20 5 DIBDRO N[C@@H]1CCCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001205932053 1049606303 /nfs/dbraw/zinc/60/63/03/1049606303.db2.gz OKYFRPMNYZGXPD-GOSISDBHSA-N 1 0 304.437 4.306 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC2CCC1CC2 ZINC001205943060 1049608222 /nfs/dbraw/zinc/60/82/22/1049608222.db2.gz NRPNTHFMQJNIOT-VXTDNTOSSA-N 1 0 302.418 4.084 20 5 DIBDRO CC[N@H+](CCc1cccs1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000488312681 1049634138 /nfs/dbraw/zinc/63/41/38/1049634138.db2.gz RNCMPPIJSFOIII-CYBMUJFWSA-N 1 0 304.415 4.282 20 5 DIBDRO CC[N@H+](Cc1cccc(F)c1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488609175 1049683039 /nfs/dbraw/zinc/68/30/39/1049683039.db2.gz IKIJAVULXNVCDP-CYBMUJFWSA-N 1 0 302.349 4.317 20 5 DIBDRO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488609177 1049683294 /nfs/dbraw/zinc/68/32/94/1049683294.db2.gz IKIJAVULXNVCDP-ZDUSSCGKSA-N 1 0 302.349 4.317 20 5 DIBDRO Cn1ccc(C[N@H+](C)Cc2c3ccccc3cc3ccccc32)n1 ZINC001206303386 1049705644 /nfs/dbraw/zinc/70/56/44/1049705644.db2.gz IINKVEVPVOTCJG-UHFFFAOYSA-N 1 0 315.420 4.359 20 5 DIBDRO C[NH+](C)CCn1cc(-c2ccc3cc4ccccc4cc3c2)cn1 ZINC001206348419 1049718451 /nfs/dbraw/zinc/71/84/51/1049718451.db2.gz QEGVVUZQKGIDBU-UHFFFAOYSA-N 1 0 315.420 4.418 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001206516643 1049748573 /nfs/dbraw/zinc/74/85/73/1049748573.db2.gz ARUWWFRWZWBGOD-KRWDZBQOSA-N 1 0 316.788 4.334 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)c(F)c1 ZINC000491193532 1049891107 /nfs/dbraw/zinc/89/11/07/1049891107.db2.gz AWRAMHKHDSRPCN-KRWDZBQOSA-N 1 0 300.333 4.071 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571298281 1049929179 /nfs/dbraw/zinc/92/91/79/1049929179.db2.gz VAPGORDHVMTAEA-STQMWFEESA-N 1 0 316.323 4.149 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000588231384 1049976686 /nfs/dbraw/zinc/97/66/86/1049976686.db2.gz VZLPXFSOXXMVCC-HOCLYGCPSA-N 1 0 320.408 4.178 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000588232547 1049976916 /nfs/dbraw/zinc/97/69/16/1049976916.db2.gz MQKOYLYTOZJZKC-JGGQBBKZSA-N 1 0 324.371 4.083 20 5 DIBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000589600774 1050047818 /nfs/dbraw/zinc/04/78/18/1050047818.db2.gz OIAPXVRHUYGIIM-WBMJQRKESA-N 1 0 319.430 4.068 20 5 DIBDRO CC(C)[NH+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000590170279 1050080742 /nfs/dbraw/zinc/08/07/42/1050080742.db2.gz ZCLVADAZVZCSBF-UHFFFAOYSA-N 1 0 304.312 4.232 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734488141 1050276333 /nfs/dbraw/zinc/27/63/33/1050276333.db2.gz ZLMOEVGNEKBXGO-HIFRSBDPSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734488143 1050277433 /nfs/dbraw/zinc/27/74/33/1050277433.db2.gz ZLMOEVGNEKBXGO-ZFWWWQNUSA-N 1 0 314.360 4.112 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000592392490 1050292120 /nfs/dbraw/zinc/29/21/20/1050292120.db2.gz XWBLFVBMMXRVMZ-FZMZJTMJSA-N 1 0 300.349 4.317 20 5 DIBDRO Cc1c(C[NH2+][C@@H](CC(C)C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000592389648 1050296741 /nfs/dbraw/zinc/29/67/41/1050296741.db2.gz ABCHSEHQZHKHAI-KRWDZBQOSA-N 1 0 313.401 4.175 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(F)F ZINC000592372503 1050363487 /nfs/dbraw/zinc/36/34/87/1050363487.db2.gz BUXBAXUIJCRMFO-NSHDSACASA-N 1 0 324.327 4.236 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(F)F ZINC000592372791 1050365818 /nfs/dbraw/zinc/36/58/18/1050365818.db2.gz OWFRUTXYLLYVLY-NSHDSACASA-N 1 0 324.327 4.236 20 5 DIBDRO C/C=C(\C)n1c2ccc(OCC)cc2c(=[NH2+])c2ccc(N)cc21 ZINC001210795176 1050369978 /nfs/dbraw/zinc/36/99/78/1050369978.db2.gz BEAHRBLNFHBIKV-GBZFVWEXSA-N 1 0 307.397 4.136 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(F)CC1 ZINC000592399616 1050381277 /nfs/dbraw/zinc/38/12/77/1050381277.db2.gz OQIDXOAFOMYWNM-VQCLRJIVSA-N 1 0 308.397 4.034 20 5 DIBDRO Cc1ccccc1C1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000844351397 1050404299 /nfs/dbraw/zinc/40/42/99/1050404299.db2.gz NYXGXOIMNXWSBS-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C[N@H+](CCc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492024 1050404513 /nfs/dbraw/zinc/40/45/13/1050404513.db2.gz SWLIZVPOJYLROC-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCc2sccc21 ZINC000574414465 1050455032 /nfs/dbraw/zinc/45/50/32/1050455032.db2.gz NHGUQBWDKYXEIR-CABCVRRESA-N 1 0 314.410 4.311 20 5 DIBDRO C[NH2+]Cc1cccc(Nc2cccc3nc4ccccc4nc32)c1 ZINC001211139906 1050493051 /nfs/dbraw/zinc/49/30/51/1050493051.db2.gz YBBQIDAJPKAWCD-UHFFFAOYSA-N 1 0 314.392 4.246 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCc2ccccc21 ZINC000594492321 1050517527 /nfs/dbraw/zinc/51/75/27/1050517527.db2.gz NLPKPHKXGJESLJ-ROUUACIJSA-N 1 0 308.381 4.249 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594496092 1050519494 /nfs/dbraw/zinc/51/94/94/1050519494.db2.gz ZZWJEFBFCAQZFE-WBVHZDCISA-N 1 0 311.385 4.108 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000594500999 1050522093 /nfs/dbraw/zinc/52/20/93/1050522093.db2.gz CLZVDLJGAAOZFK-QZTJIDSGSA-N 1 0 308.381 4.168 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCSC(C)(C)C ZINC000786812400 1050522389 /nfs/dbraw/zinc/52/23/89/1050522389.db2.gz HHMXLWDQUSNJAF-RAXLEYEMSA-N 1 0 308.447 4.119 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000594508041 1050523204 /nfs/dbraw/zinc/52/32/04/1050523204.db2.gz ABJFDJDKTQNZSM-QGZVFWFLSA-N 1 0 302.349 4.283 20 5 DIBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594518619 1050528325 /nfs/dbraw/zinc/52/83/25/1050528325.db2.gz IHROGRZWXYNAOE-BPJJOFIESA-N 1 0 324.371 4.412 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000594977348 1050573097 /nfs/dbraw/zinc/57/30/97/1050573097.db2.gz KNVZUUWIZONRIJ-PINLSGDHSA-N 1 0 310.344 4.023 20 5 DIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059387527 1050574004 /nfs/dbraw/zinc/57/40/04/1050574004.db2.gz CTBASLHYCPAWPF-MRXNPFEDSA-N 1 0 316.426 4.208 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000595016257 1050586717 /nfs/dbraw/zinc/58/67/17/1050586717.db2.gz JGZGRPDHKSVXHU-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO CCSCC[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746674203 1050589417 /nfs/dbraw/zinc/58/94/17/1050589417.db2.gz OKXXBYIGZDADAP-NSHDSACASA-N 1 0 316.854 4.212 20 5 DIBDRO CCc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008620 1050593327 /nfs/dbraw/zinc/59/33/27/1050593327.db2.gz OZDHDEDXTAIJCO-CYBMUJFWSA-N 1 0 314.385 4.017 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000595100468 1050606768 /nfs/dbraw/zinc/60/67/68/1050606768.db2.gz WFWRBLAGSPZUCI-OFWKBQFLSA-N 1 0 322.355 4.140 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595089377 1050610354 /nfs/dbraw/zinc/61/03/54/1050610354.db2.gz NYDVLMCBKYIKRP-ZWKOTPCHSA-N 1 0 312.369 4.029 20 5 DIBDRO CC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1ccccc1C ZINC001171199495 1050619096 /nfs/dbraw/zinc/61/90/96/1050619096.db2.gz DNAIDHZVUMFICJ-MRXNPFEDSA-N 1 0 311.385 4.070 20 5 DIBDRO CC[C@@H](CC(F)F)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595351794 1050629034 /nfs/dbraw/zinc/62/90/34/1050629034.db2.gz HSJDOTYCIMLEAH-LBPRGKRZSA-N 1 0 312.360 4.241 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000595407229 1050630482 /nfs/dbraw/zinc/63/04/82/1050630482.db2.gz DREXMDYAIPDAOX-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO C[C@@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCc2ccccc21 ZINC000595373092 1050631190 /nfs/dbraw/zinc/63/11/90/1050631190.db2.gz LXBMJHQLTDVVSQ-GOSISDBHSA-N 1 0 314.360 4.075 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000788024132 1050640492 /nfs/dbraw/zinc/64/04/92/1050640492.db2.gz PJOKKUALWXIQJJ-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]1(F)Cl ZINC000846031858 1050651209 /nfs/dbraw/zinc/65/12/09/1050651209.db2.gz CTLLACLZBRCSRL-CHWSQXEVSA-N 1 0 321.179 4.043 20 5 DIBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]1(F)Cl ZINC000846032890 1050651264 /nfs/dbraw/zinc/65/12/64/1050651264.db2.gz NCCBWNMHFCAHIH-STQMWFEESA-N 1 0 321.179 4.043 20 5 DIBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595642699 1050657627 /nfs/dbraw/zinc/65/76/27/1050657627.db2.gz QULNVSALLIYFML-LBPRGKRZSA-N 1 0 317.389 4.164 20 5 DIBDRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000596098800 1050683742 /nfs/dbraw/zinc/68/37/42/1050683742.db2.gz TZONBLBRMPMLAW-JTQLQIEISA-N 1 0 304.312 4.224 20 5 DIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788479510 1050686705 /nfs/dbraw/zinc/68/67/05/1050686705.db2.gz UXFNOGHJJUDOGL-QGZVFWFLSA-N 1 0 314.360 4.379 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497193 1050689883 /nfs/dbraw/zinc/68/98/83/1050689883.db2.gz FXKILEBLLJWRMA-GHMZBOCLSA-N 1 0 319.792 4.242 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846187475 1050691071 /nfs/dbraw/zinc/69/10/71/1050691071.db2.gz GINADBNUVVSQGC-NILFDRSVSA-N 1 0 314.788 4.259 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788502922 1050692100 /nfs/dbraw/zinc/69/21/00/1050692100.db2.gz LJHQOSKEKFHBLJ-CXAGYDPISA-N 1 0 313.401 4.369 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788687797 1050724545 /nfs/dbraw/zinc/72/45/45/1050724545.db2.gz DWAFRMYPVDFECF-CYBMUJFWSA-N 1 0 321.380 4.181 20 5 DIBDRO C[C@H](CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788814326 1050762181 /nfs/dbraw/zinc/76/21/81/1050762181.db2.gz KZPWDDHCAULJCX-ZIAGYGMSSA-N 1 0 313.401 4.021 20 5 DIBDRO CC(C)[C@H](CCO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000742379817 1050839406 /nfs/dbraw/zinc/83/94/06/1050839406.db2.gz AOQHNMMTSNIRAQ-NRFANRHFSA-N 1 0 307.437 4.490 20 5 DIBDRO C[N@H+](CCS/C=C/c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000789982496 1050902427 /nfs/dbraw/zinc/90/24/27/1050902427.db2.gz OFURLZKKCLQARQ-PKNBQFBNSA-N 1 0 318.398 4.024 20 5 DIBDRO [NH3+]Cc1ccc2cn(-c3nc4ccccc4c4ccccc43)nc2c1 ZINC001171328208 1050927894 /nfs/dbraw/zinc/92/78/94/1050927894.db2.gz PQDZYVGCOWQOLJ-UHFFFAOYSA-N 1 0 324.387 4.186 20 5 DIBDRO CCC[C@H]([NH2+]CCc1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000773083955 1051055042 /nfs/dbraw/zinc/05/50/42/1051055042.db2.gz WJFCKXCZPDTKGT-INIZCTEOSA-N 1 0 319.430 4.033 20 5 DIBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001171457335 1051139557 /nfs/dbraw/zinc/13/95/57/1051139557.db2.gz KIXWKYOBCVTFKR-CABCVRRESA-N 1 0 320.408 4.382 20 5 DIBDRO C[N@H+](CC/C=C\c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC001170193471 1051148087 /nfs/dbraw/zinc/14/80/87/1051148087.db2.gz GQCNBUNCGBAVSE-XFFZJAGNSA-N 1 0 310.397 4.173 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170306442 1051180070 /nfs/dbraw/zinc/18/00/70/1051180070.db2.gz VGCVWEMXTCJZNR-CYBMUJFWSA-N 1 0 322.449 4.339 20 5 DIBDRO CCC(CC)[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352821 1051186961 /nfs/dbraw/zinc/18/69/61/1051186961.db2.gz REHDHNCTSAZZOK-CYBMUJFWSA-N 1 0 308.422 4.045 20 5 DIBDRO CCCC[N@H+](CCC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170342646 1051193575 /nfs/dbraw/zinc/19/35/75/1051193575.db2.gz MNPATOZNDYEGAE-CQSZACIVSA-N 1 0 308.422 4.047 20 5 DIBDRO CC(C)(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC001171900834 1051235574 /nfs/dbraw/zinc/23/55/74/1051235574.db2.gz RREKBBGDMRFDRL-UHFFFAOYSA-N 1 0 318.442 4.500 20 5 DIBDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC001170426753 1051254350 /nfs/dbraw/zinc/25/43/50/1051254350.db2.gz XUVJHJSQPPHRQW-INIZCTEOSA-N 1 0 316.426 4.344 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(F)(F)CC3)o2)c1 ZINC000793359383 1051288033 /nfs/dbraw/zinc/28/80/33/1051288033.db2.gz LGHBQSZOUKEWII-UHFFFAOYSA-N 1 0 322.311 4.086 20 5 DIBDRO CCN(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746138213 1051328193 /nfs/dbraw/zinc/32/81/93/1051328193.db2.gz AUTJWJOFHAJGJD-UHFFFAOYSA-N 1 0 322.767 4.409 20 5 DIBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170454402 1051425935 /nfs/dbraw/zinc/42/59/35/1051425935.db2.gz RFQFXTSXYULNEX-UHFFFAOYSA-N 1 0 323.412 4.106 20 5 DIBDRO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001168925527 1051463065 /nfs/dbraw/zinc/46/30/65/1051463065.db2.gz QKBZHKYOWFLBBC-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001168979151 1051477745 /nfs/dbraw/zinc/47/77/45/1051477745.db2.gz CNBPJEKYQMVXKE-HZPDHXFCSA-N 1 0 320.433 4.442 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC001168956981 1051479466 /nfs/dbraw/zinc/47/94/66/1051479466.db2.gz DIMMNMFGHFUGFG-NHCYSSNCSA-N 1 0 317.216 4.089 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC001168956982 1051479756 /nfs/dbraw/zinc/47/97/56/1051479756.db2.gz DIMMNMFGHFUGFG-UMNHJUIQSA-N 1 0 317.216 4.089 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CCC2)c2ccc(F)cc2)C1 ZINC001168998029 1051484619 /nfs/dbraw/zinc/48/46/19/1051484619.db2.gz HJEDHNQYPAZQGM-OLMNPRSZSA-N 1 0 320.408 4.092 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2F)C1 ZINC001169000840 1051485284 /nfs/dbraw/zinc/48/52/84/1051485284.db2.gz YUUBAFPQXSOMOZ-RKVPGOIHSA-N 1 0 320.408 4.092 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2F)C1 ZINC001169000838 1051485300 /nfs/dbraw/zinc/48/53/00/1051485300.db2.gz YUUBAFPQXSOMOZ-IIDMSEBBSA-N 1 0 320.408 4.092 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC001169011046 1051486562 /nfs/dbraw/zinc/48/65/62/1051486562.db2.gz HNTIEZDEBKFBHL-PKOBYXMFSA-N 1 0 316.445 4.267 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001169037460 1051492900 /nfs/dbraw/zinc/49/29/00/1051492900.db2.gz RXKYOKWPIDVGAB-UXHICEINSA-N 1 0 324.424 4.134 20 5 DIBDRO C[C@H](c1cccc2ccccc21)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169045780 1051494911 /nfs/dbraw/zinc/49/49/11/1051494911.db2.gz JZAIFCOMEQUNCX-HLLBOEOZSA-N 1 0 312.413 4.278 20 5 DIBDRO CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCC1 ZINC001172897367 1051550248 /nfs/dbraw/zinc/55/02/48/1051550248.db2.gz ZWLOWQHGOABUST-MRXNPFEDSA-N 1 0 302.418 4.155 20 5 DIBDRO CC(C)C([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)C ZINC001172900850 1051551517 /nfs/dbraw/zinc/55/15/17/1051551517.db2.gz GQVZCFAKMVKSLJ-INIZCTEOSA-N 1 0 304.434 4.112 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCc3ccccc31)CC2 ZINC001172900739 1051551739 /nfs/dbraw/zinc/55/17/39/1051551739.db2.gz ZBQZWOUERKHYJO-PXNSSMCTSA-N 1 0 322.408 4.119 20 5 DIBDRO CC(C)CC[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901982 1051552206 /nfs/dbraw/zinc/55/22/06/1051552206.db2.gz RXYGXEUESLAOSL-YOEHRIQHSA-N 1 0 304.434 4.257 20 5 DIBDRO C[N@H+](C1CCCCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907634 1051553423 /nfs/dbraw/zinc/55/34/23/1051553423.db2.gz HESXOGJETFFQSW-KRWDZBQOSA-N 1 0 302.418 4.107 20 5 DIBDRO C[N@H+](Cc1cccs1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914517 1051569910 /nfs/dbraw/zinc/56/99/10/1051569910.db2.gz HHUWIOZUMLMIRI-HNNXBMFYSA-N 1 0 316.426 4.036 20 5 DIBDRO Cc1cccc2c1C[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172909389 1051581438 /nfs/dbraw/zinc/58/14/38/1051581438.db2.gz RMNHFLSSCRBCMT-GOSISDBHSA-N 1 0 322.408 4.166 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCC(F)(F)C1)CC2 ZINC001172910788 1051581460 /nfs/dbraw/zinc/58/14/60/1051581460.db2.gz DEXWJINAOGEEFL-CABCVRRESA-N 1 0 324.371 4.010 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000761524114 1051584310 /nfs/dbraw/zinc/58/43/10/1051584310.db2.gz VEIAGZUJGSSLHH-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522473 1051585763 /nfs/dbraw/zinc/58/57/63/1051585763.db2.gz ZCUODFGLUNDYPH-DIFFPNOSSA-N 1 0 316.788 4.271 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccn1 ZINC000761520196 1051586932 /nfs/dbraw/zinc/58/69/32/1051586932.db2.gz MMWAUBPZMWDBLX-CQSZACIVSA-N 1 0 319.792 4.274 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)c1ccccc1 ZINC001173215344 1051632922 /nfs/dbraw/zinc/63/29/22/1051632922.db2.gz VDVVFROTBNQIIQ-OAHLLOKOSA-N 1 0 312.413 4.093 20 5 DIBDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216088 1051633303 /nfs/dbraw/zinc/63/33/03/1051633303.db2.gz KGBYMBCSDVTWJP-HOTGVXAUSA-N 1 0 312.413 4.137 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173216563 1051634847 /nfs/dbraw/zinc/63/48/47/1051634847.db2.gz CWLXQSBBKVCEDE-HZPDHXFCSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC001173220349 1051636514 /nfs/dbraw/zinc/63/65/14/1051636514.db2.gz YRTFTMSXYJIGGE-NEPJUHHUSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001173220377 1051636645 /nfs/dbraw/zinc/63/66/45/1051636645.db2.gz ZLVHSGCEDNTHOK-NWDGAFQWSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(Cc2ccccc2)CC1 ZINC001173222938 1051636788 /nfs/dbraw/zinc/63/67/88/1051636788.db2.gz GDMHVOKXEOSEJZ-INIZCTEOSA-N 1 0 324.424 4.138 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001173223599 1051637175 /nfs/dbraw/zinc/63/71/75/1051637175.db2.gz IRGCJGQPZRVGET-RYUDHWBXSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1ccc(F)cc1 ZINC001173219375 1051637214 /nfs/dbraw/zinc/63/72/14/1051637214.db2.gz BUICBBKUTYQYRY-CYBMUJFWSA-N 1 0 316.376 4.190 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001173227555 1051638134 /nfs/dbraw/zinc/63/81/34/1051638134.db2.gz GTVWZTZAVQETPA-KGLIPLIRSA-N 1 0 316.376 4.324 20 5 DIBDRO Cc1ccccc1C(C)(C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226586 1051638426 /nfs/dbraw/zinc/63/84/26/1051638426.db2.gz YAXFOMNXNYKGHT-HNNXBMFYSA-N 1 0 312.413 4.359 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001173228354 1051638453 /nfs/dbraw/zinc/63/84/53/1051638453.db2.gz VECAFMMPCBJTLV-VQIMIIECSA-N 1 0 324.424 4.090 20 5 DIBDRO Cc1cccc(CC[N@@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173231430 1051638732 /nfs/dbraw/zinc/63/87/32/1051638732.db2.gz CJVKGDAACZIILP-INIZCTEOSA-N 1 0 312.413 4.009 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001173226128 1051639160 /nfs/dbraw/zinc/63/91/60/1051639160.db2.gz HUKCJAPEUALACK-CYBMUJFWSA-N 1 0 318.804 4.311 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001173227533 1051639177 /nfs/dbraw/zinc/63/91/77/1051639177.db2.gz GTEBSZDKBSULTN-RYGJVYDSSA-N 1 0 324.424 4.452 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1Cl ZINC001173225041 1051639213 /nfs/dbraw/zinc/63/92/13/1051639213.db2.gz BAXLBOJTNKZGNL-ZDUSSCGKSA-N 1 0 318.804 4.311 20 5 DIBDRO CC[N@H+](Cc1ccccc1F)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235774 1051640549 /nfs/dbraw/zinc/64/05/49/1051640549.db2.gz ZEHTYZWECBZCRF-CQSZACIVSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC001173231813 1051640787 /nfs/dbraw/zinc/64/07/87/1051640787.db2.gz DFGDQKXNDAIARB-INIZCTEOSA-N 1 0 322.408 4.315 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001173235926 1051641765 /nfs/dbraw/zinc/64/17/65/1051641765.db2.gz WETUHXOZTGNKOG-ZDUSSCGKSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC001173234523 1051641864 /nfs/dbraw/zinc/64/18/64/1051641864.db2.gz PDOXDWBGXASGKT-KSMMKXTCSA-N 1 0 310.397 4.364 20 5 DIBDRO Cc1ccc(C(C)(C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234116 1051641930 /nfs/dbraw/zinc/64/19/30/1051641930.db2.gz MXULACLPTNWYTN-OAHLLOKOSA-N 1 0 312.413 4.359 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001173213802 1051649107 /nfs/dbraw/zinc/64/91/07/1051649107.db2.gz KOELHTQHPOHPGT-FZKQIMNGSA-N 1 0 316.376 4.406 20 5 DIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220448 1051650809 /nfs/dbraw/zinc/65/08/09/1051650809.db2.gz AHGKOUMMKXQGCV-LIRRHRJNSA-N 1 0 310.397 4.111 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001173214781 1051650995 /nfs/dbraw/zinc/65/09/95/1051650995.db2.gz QCNJDKYXZMABNJ-NEPJUHHUSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001169666394 1051669869 /nfs/dbraw/zinc/66/98/69/1051669869.db2.gz LDMTVTHBIKHEJT-OAHLLOKOSA-N 1 0 324.424 4.319 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(C1)CCCCC2 ZINC001173236668 1051670645 /nfs/dbraw/zinc/67/06/45/1051670645.db2.gz DQYKGJVFDVEKBU-OAHLLOKOSA-N 1 0 302.418 4.182 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000152918956 1051690196 /nfs/dbraw/zinc/69/01/96/1051690196.db2.gz LKSHDTQFKYDKDT-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000494107252 1051690882 /nfs/dbraw/zinc/69/08/82/1051690882.db2.gz MAPOWGQZCZENCZ-SECBINFHSA-N 1 0 322.714 4.023 20 5 DIBDRO c1ccc2c(c1)nc(NCC13CC[NH+](CC1)CC3)c1ccccc21 ZINC001169799440 1051698252 /nfs/dbraw/zinc/69/82/52/1051698252.db2.gz FBLWISCFKVSDGX-UHFFFAOYSA-N 1 0 317.436 4.286 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000494450016 1051897527 /nfs/dbraw/zinc/89/75/27/1051897527.db2.gz ZIVWADCGIZLWAI-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494468322 1051898893 /nfs/dbraw/zinc/89/88/93/1051898893.db2.gz SGSBWNUKYZHTIR-UWVGGRQHSA-N 1 0 304.312 4.138 20 5 DIBDRO COc1cncc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c1 ZINC001174090683 1052001420 /nfs/dbraw/zinc/00/14/20/1052001420.db2.gz GUYHNZBNYVCAPW-UHFFFAOYSA-N 1 0 316.364 4.117 20 5 DIBDRO COC[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000769398165 1052049118 /nfs/dbraw/zinc/04/91/18/1052049118.db2.gz GZZPOIUXXNNBRF-MRXNPFEDSA-N 1 0 305.421 4.461 20 5 DIBDRO c1cn2cc(Nc3cccc4nc5ccccc5nc43)ccc2[nH+]1 ZINC001174277918 1052085684 /nfs/dbraw/zinc/08/56/84/1052085684.db2.gz NKXNJXNCFBDUCX-UHFFFAOYSA-N 1 0 311.348 4.174 20 5 DIBDRO COc1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)ccn1 ZINC001174307242 1052090054 /nfs/dbraw/zinc/09/00/54/1052090054.db2.gz KBWWVYCVDRDGIO-UHFFFAOYSA-N 1 0 316.364 4.117 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217775107 1052139946 /nfs/dbraw/zinc/13/99/46/1052139946.db2.gz BJLPXPHSFAQSSC-QVKFZJNVSA-N 1 0 320.436 4.293 20 5 DIBDRO F[C@H]1C[NH2+]C[C@@H]1OCc1ccc2ccc3cccc4ccc1c2c34 ZINC001217779311 1052141321 /nfs/dbraw/zinc/14/13/21/1052141321.db2.gz DBTHTESPURTFQA-OALUTQOASA-N 1 0 319.379 4.411 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000494848061 1052150370 /nfs/dbraw/zinc/15/03/70/1052150370.db2.gz RBJRDSKYRRMDPW-ZCRIDZFUSA-N 1 0 316.323 4.319 20 5 DIBDRO C[C@H]([N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C(C)(C)C ZINC000914569131 1052170028 /nfs/dbraw/zinc/17/00/28/1052170028.db2.gz SZYGPHBXBIRIQG-JTQLQIEISA-N 1 0 323.418 4.196 20 5 DIBDRO F[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001217945556 1052176772 /nfs/dbraw/zinc/17/67/72/1052176772.db2.gz DPMZSURBAYYDKM-UXHICEINSA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001217991877 1052182414 /nfs/dbraw/zinc/18/24/14/1052182414.db2.gz YLSYOWUBTINQOV-WMLDXEAASA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H](Oc1cccc2ccc3cccnc3c21)C1CC[NH2+]CC1 ZINC001218002801 1052183651 /nfs/dbraw/zinc/18/36/51/1052183651.db2.gz KWQCWWWWFZSKJW-AWEZNQCLSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H](Oc1cccc2cc3ccccc3nc21)C1CC[NH2+]CC1 ZINC001218003230 1052183759 /nfs/dbraw/zinc/18/37/59/1052183759.db2.gz PXIZIXNRLCYZOC-AWEZNQCLSA-N 1 0 306.409 4.155 20 5 DIBDRO F[C@H]1C[NH2+]C[C@@H]1Oc1ccc2ccc3cccc4ccc1c2c34 ZINC001218015379 1052185289 /nfs/dbraw/zinc/18/52/89/1052185289.db2.gz QSMHEFPBRWMYFJ-WMZOPIPTSA-N 1 0 305.352 4.273 20 5 DIBDRO C[C@@H](Oc1nccc2c3ccccc3ccc21)C1CC[NH2+]CC1 ZINC001218009526 1052185543 /nfs/dbraw/zinc/18/55/43/1052185543.db2.gz KPHZMULFSYEKSJ-CQSZACIVSA-N 1 0 306.409 4.155 20 5 DIBDRO F[C@@H]1CC[NH2+]CC[C@@H]1Oc1c2ccccc2cc2ccccc21 ZINC001218024106 1052186471 /nfs/dbraw/zinc/18/64/71/1052186471.db2.gz LRAXDVROOHUNIB-MOPGFXCFSA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218025270 1052186705 /nfs/dbraw/zinc/18/67/05/1052186705.db2.gz SFQYAYCYXJEMPR-RDTXWAMCSA-N 1 0 306.409 4.155 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4CC[NH2+]C[C@@H]4F)c3c2n1 ZINC001218073103 1052192631 /nfs/dbraw/zinc/19/26/31/1052192631.db2.gz YWURGIATTRTVRR-DLBZAZTESA-N 1 0 324.399 4.084 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)c12 ZINC001218144922 1052201828 /nfs/dbraw/zinc/20/18/28/1052201828.db2.gz URYFDQMDWUVHFA-FGTMMUONSA-N 1 0 318.420 4.155 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4C[C@H]5C[C@@H]4C[NH2+]5)c3c2n1 ZINC001218144601 1052201879 /nfs/dbraw/zinc/20/18/79/1052201879.db2.gz WOKOZMCPRLNETK-MDZRGWNJSA-N 1 0 318.420 4.134 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c12 ZINC001218184070 1052203551 /nfs/dbraw/zinc/20/35/51/1052203551.db2.gz FLWVMFHZUJYQNT-BJWYYQGGSA-N 1 0 304.393 4.050 20 5 DIBDRO c1ccc2nc3c(cccc3OC3CCC4(C[NH2+]C4)CC3)cc2c1 ZINC001218264566 1052215359 /nfs/dbraw/zinc/21/53/59/1052215359.db2.gz ZAMFQPVYVRUICV-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218312256 1052223268 /nfs/dbraw/zinc/22/32/68/1052223268.db2.gz VCNCPVWERUYVPS-GOSISDBHSA-N 1 0 306.409 4.155 20 5 DIBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218311425 1052223392 /nfs/dbraw/zinc/22/33/92/1052223392.db2.gz KMTBJTOADDCFPW-QGZVFWFLSA-N 1 0 306.409 4.155 20 5 DIBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218316397 1052223999 /nfs/dbraw/zinc/22/39/99/1052223999.db2.gz QYERVODZLHTHBC-SFHVURJKSA-N 1 0 321.420 4.466 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4CC[NH2+]C[C@@H]4C)c3c2n1 ZINC001218415182 1052237057 /nfs/dbraw/zinc/23/70/57/1052237057.db2.gz BANLOEUJDPIYDG-KBXCAEBGSA-N 1 0 320.436 4.382 20 5 DIBDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000495154475 1052238335 /nfs/dbraw/zinc/23/83/35/1052238335.db2.gz CKDLUYVYPKUCBW-LJQANCHMSA-N 1 0 310.397 4.495 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000914797303 1052255477 /nfs/dbraw/zinc/25/54/77/1052255477.db2.gz PHQWYXJVWUIDHF-ZDUSSCGKSA-N 1 0 302.374 4.032 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000495438163 1052351316 /nfs/dbraw/zinc/35/13/16/1052351316.db2.gz GDTHYGQJSTWSRY-AIADIJKESA-N 1 0 322.408 4.219 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000609222654 1052455766 /nfs/dbraw/zinc/45/57/66/1052455766.db2.gz WZTXTXGLCDNFMB-INIZCTEOSA-N 1 0 310.397 4.148 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000193899987 1052511066 /nfs/dbraw/zinc/51/10/66/1052511066.db2.gz NPMPSEOWKVJQRW-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OCc1cccc(Oc2ccccc2)c1 ZINC001222825859 1052537732 /nfs/dbraw/zinc/53/77/32/1052537732.db2.gz KWQPUHSEINGFGU-MRXNPFEDSA-N 1 0 300.422 4.090 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000090771459 1052566188 /nfs/dbraw/zinc/56/61/88/1052566188.db2.gz FJPPWCNTVIMJGX-ODIFPOPNSA-N 1 0 320.433 4.290 20 5 DIBDRO CC[N@@H+]1CCC[C@H](OCc2c3ccccc3nc3ccccc32)C1 ZINC001223334094 1052589865 /nfs/dbraw/zinc/58/98/65/1052589865.db2.gz GZIQZNQPVUUZCN-INIZCTEOSA-N 1 0 320.436 4.389 20 5 DIBDRO C[C@@H](OC1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223426941 1052599735 /nfs/dbraw/zinc/59/97/35/1052599735.db2.gz BMVSMSVCHNRROI-CYBMUJFWSA-N 1 0 320.433 4.324 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(/C=C/c2ccccc2)cc1 ZINC001223683153 1052626449 /nfs/dbraw/zinc/62/64/49/1052626449.db2.gz SLMYNCOMLPAQQP-DOJUMQAQSA-N 1 0 310.461 4.468 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(CCc2ccccc2)cc1 ZINC001224096691 1052668053 /nfs/dbraw/zinc/66/80/53/1052668053.db2.gz JGIHVESBXVKHQB-SFHVURJKSA-N 1 0 312.477 4.083 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000917086628 1052697368 /nfs/dbraw/zinc/69/73/68/1052697368.db2.gz GIMZEDKJNQJAMG-INIZCTEOSA-N 1 0 318.323 4.210 20 5 DIBDRO CC(C)c1cc(Br)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225383932 1052783112 /nfs/dbraw/zinc/78/31/12/1052783112.db2.gz IXGJOXOCGDKEKE-LBPRGKRZSA-N 1 0 315.275 4.046 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000609280621 1052807212 /nfs/dbraw/zinc/80/72/12/1052807212.db2.gz GZZMWPLPJPHPFS-GOSISDBHSA-N 1 0 310.397 4.050 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([N+](=O)[O-])c1Cl)C2 ZINC001225787379 1052830795 /nfs/dbraw/zinc/83/07/95/1052830795.db2.gz GNEIEFULMSSORY-ITGUQSILSA-N 1 0 324.808 4.031 20 5 DIBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609288226 1052839882 /nfs/dbraw/zinc/83/98/82/1052839882.db2.gz DUIMTVTZUVWBDX-HUUCEWRRSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccccc2c1Br ZINC001226084590 1052866687 /nfs/dbraw/zinc/86/66/87/1052866687.db2.gz VVVGMXRWBCENIV-LBPRGKRZSA-N 1 0 323.254 4.076 20 5 DIBDRO CN1CCC[C@@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000920415283 1052938824 /nfs/dbraw/zinc/93/88/24/1052938824.db2.gz MOJPQXKNEZTCLC-GOSISDBHSA-N 1 0 304.437 4.177 20 5 DIBDRO CC[C@@H]([NH2+]CCCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000195548125 1052975252 /nfs/dbraw/zinc/97/52/52/1052975252.db2.gz AQMCLOAMHQYSGN-GOSISDBHSA-N 1 0 320.433 4.375 20 5 DIBDRO C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000609384090 1052976459 /nfs/dbraw/zinc/97/64/59/1052976459.db2.gz NEYDXTLKHXTSKV-UHFFFAOYSA-N 1 0 319.792 4.096 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609672587 1052986270 /nfs/dbraw/zinc/98/62/70/1052986270.db2.gz QQCHMEVSFCTPRU-ZFWWWQNUSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000609672649 1052986299 /nfs/dbraw/zinc/98/62/99/1052986299.db2.gz NUUWLGIDODNSLW-IUODEOHRSA-N 1 0 302.399 4.034 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000609672650 1052986531 /nfs/dbraw/zinc/98/65/31/1052986531.db2.gz NUUWLGIDODNSLW-SWLSCSKDSA-N 1 0 302.399 4.034 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](CC1CC1)CC1CC1 ZINC000609673082 1052987269 /nfs/dbraw/zinc/98/72/69/1052987269.db2.gz WRUKZYFTVBNYNC-UHFFFAOYSA-N 1 0 318.417 4.004 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)cc(C(C)(C)C)cc1C(C)(C)C ZINC001227489237 1052995413 /nfs/dbraw/zinc/99/54/13/1052995413.db2.gz CVNPGWZAAZAMOC-CQSZACIVSA-O 1 0 322.513 4.461 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000610009928 1053002837 /nfs/dbraw/zinc/00/28/37/1053002837.db2.gz FOPNIRHBVHRBJA-PKOBYXMFSA-N 1 0 310.397 4.096 20 5 DIBDRO CC[NH+]1CCC(Oc2cccc3ccc4cccnc4c32)CC1 ZINC001227764127 1053014393 /nfs/dbraw/zinc/01/43/93/1053014393.db2.gz KYKMLDXIWSDDSC-UHFFFAOYSA-N 1 0 306.409 4.251 20 5 DIBDRO C[N@@H+]1CCC[C@H](Oc2cccc3ccc4cccnc4c32)CC1 ZINC001227763123 1053014665 /nfs/dbraw/zinc/01/46/65/1053014665.db2.gz BYTJHMAJQOLVLR-KRWDZBQOSA-N 1 0 306.409 4.251 20 5 DIBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3ccc4cccnc4c31)C2 ZINC001227764214 1053014829 /nfs/dbraw/zinc/01/48/29/1053014829.db2.gz MIGRHDRUPBGGRR-PIIMJCKOSA-N 1 0 318.420 4.392 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179696884 1053022592 /nfs/dbraw/zinc/02/25/92/1053022592.db2.gz AQYPJORLNYXWDB-QGZVFWFLSA-N 1 0 316.788 4.489 20 5 DIBDRO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1ccoc1 ZINC000615834436 1053032978 /nfs/dbraw/zinc/03/29/78/1053032978.db2.gz SMIHGPGYUSXXRH-NTEUORMPSA-N 1 0 300.358 4.113 20 5 DIBDRO CC[N@@H+]1CCC[C@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001228175260 1053050133 /nfs/dbraw/zinc/05/01/33/1053050133.db2.gz AXTKLGYGNLIIJL-KRWDZBQOSA-N 1 0 306.409 4.251 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC001228257043 1053058555 /nfs/dbraw/zinc/05/85/55/1053058555.db2.gz DIPSGDQVZJMKTB-VIKVFOODSA-N 1 0 324.808 4.031 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCC(F)F)c2ccccc2)c1 ZINC001350636429 1053092968 /nfs/dbraw/zinc/09/29/68/1053092968.db2.gz NXIBOQRHYCMPBG-KRWDZBQOSA-N 1 0 320.339 4.319 20 5 DIBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000180859084 1053100690 /nfs/dbraw/zinc/10/06/90/1053100690.db2.gz FASNNKXTWNZXOD-YJBOKZPZSA-N 1 0 305.421 4.196 20 5 DIBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228742075 1053172252 /nfs/dbraw/zinc/17/22/52/1053172252.db2.gz VLVMCBHEPGJGGK-INIZCTEOSA-N 1 0 321.424 4.035 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001228758145 1053177186 /nfs/dbraw/zinc/17/71/86/1053177186.db2.gz BROAFEBGAOMCAQ-IMRBUKKESA-N 1 0 324.808 4.031 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4ccc(F)c(N)c4)cc3[nH+]c2c1 ZINC001212343517 1053231321 /nfs/dbraw/zinc/23/13/21/1053231321.db2.gz KPUZADJMCSUHGH-UHFFFAOYSA-N 1 0 318.355 4.435 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001319783594 1053274405 /nfs/dbraw/zinc/27/44/05/1053274405.db2.gz HEHXTUSOWJILJC-AWEZNQCLSA-N 1 0 310.397 4.243 20 5 DIBDRO Cc1ccc(C[N@H+](C)Cc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC001320508581 1053340293 /nfs/dbraw/zinc/34/02/93/1053340293.db2.gz BUXMKHHZCILOTP-UHFFFAOYSA-N 1 0 309.369 4.017 20 5 DIBDRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001560754277 1053354534 /nfs/dbraw/zinc/35/45/34/1053354534.db2.gz DZWBTWYBUSIRFM-LBPRGKRZSA-N 1 0 304.312 4.114 20 5 DIBDRO C[C@H](Oc1cccc([C@H](C)[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC001229627710 1053367523 /nfs/dbraw/zinc/36/75/23/1053367523.db2.gz QYJMAEINMUYQHP-KBPBESRZSA-N 1 0 314.385 4.357 20 5 DIBDRO C[C@H](Oc1cccc([C@H](C)[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC001229628702 1053367974 /nfs/dbraw/zinc/36/79/74/1053367974.db2.gz WHIBIXDAGDJXIJ-KBPBESRZSA-N 1 0 314.385 4.357 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)ccc1[C@@H](C)c1ccccc1 ZINC001229684945 1053384080 /nfs/dbraw/zinc/38/40/80/1053384080.db2.gz LFYDCLFRGRMPNF-HOTGVXAUSA-O 1 0 314.449 4.018 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc3ccccc3[nH]2)C2CC2)cc1 ZINC000619069256 1053426218 /nfs/dbraw/zinc/42/62/18/1053426218.db2.gz MGLGVLXMVZJYRY-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO Cc1oc(C(C)(C)C)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001200232493 1053486881 /nfs/dbraw/zinc/48/68/81/1053486881.db2.gz MBPIUBABECYFJR-UHFFFAOYSA-N 1 0 316.401 4.126 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000619611338 1053518199 /nfs/dbraw/zinc/51/81/99/1053518199.db2.gz PWIHURGIGVVJPA-BBRMVZONSA-N 1 0 311.385 4.026 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000619611304 1053519294 /nfs/dbraw/zinc/51/92/94/1053519294.db2.gz IEJUGHHWLYSUCS-IRXDYDNUSA-N 1 0 311.385 4.108 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000619754070 1053547339 /nfs/dbraw/zinc/54/73/39/1053547339.db2.gz AFYMMOMQIKIMCS-NWDGAFQWSA-N 1 0 320.414 4.467 20 5 DIBDRO C[N@H+](Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CC1 ZINC001323285780 1053573426 /nfs/dbraw/zinc/57/34/26/1053573426.db2.gz KQRLORLSKXEUMB-UHFFFAOYSA-N 1 0 306.749 4.102 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000183335279 1053634015 /nfs/dbraw/zinc/63/40/15/1053634015.db2.gz YVVVJBDGRMSCEU-GFCCVEGCSA-N 1 0 319.430 4.170 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCCC(F)(F)F)C2CC2)c1 ZINC000155913238 1053790289 /nfs/dbraw/zinc/79/02/89/1053790289.db2.gz ZURPPGOPOUVXDW-UHFFFAOYSA-N 1 0 316.323 4.292 20 5 DIBDRO Cc1ccc([C@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001200611431 1053811914 /nfs/dbraw/zinc/81/19/14/1053811914.db2.gz FYLCIJNNXSVPKN-OAHLLOKOSA-N 1 0 312.413 4.413 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001327606789 1053865990 /nfs/dbraw/zinc/86/59/90/1053865990.db2.gz LHKBJUKXELFAHA-OJLVUWQFSA-N 1 0 324.371 4.459 20 5 DIBDRO CC(C)[N@H+](Cc1cccn1C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001327940116 1053896349 /nfs/dbraw/zinc/89/63/49/1053896349.db2.gz PMRYUQQOHVJXIN-UHFFFAOYSA-N 1 0 313.401 4.142 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC001329112516 1053968123 /nfs/dbraw/zinc/96/81/23/1053968123.db2.gz FVQFPCKQQYOJDQ-DLBZAZTESA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cccc([N+](=O)[O-])c1 ZINC000081181374 1053991679 /nfs/dbraw/zinc/99/16/79/1053991679.db2.gz DLRNCIRPOHFQBB-APPDUMDISA-N 1 0 300.333 4.072 20 5 DIBDRO FC1(F)CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219300 1053994184 /nfs/dbraw/zinc/99/41/84/1053994184.db2.gz PQAOZCDQLWSZQP-UHFFFAOYSA-N 1 0 313.351 4.014 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)nc12 ZINC001232219598 1053995398 /nfs/dbraw/zinc/99/53/98/1053995398.db2.gz WBDRNPQUGMMHPX-QZTJIDSGSA-N 1 0 317.436 4.405 20 5 DIBDRO CC[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232224006 1053996762 /nfs/dbraw/zinc/99/67/62/1053996762.db2.gz YJODVHWFBXBFGS-OAHLLOKOSA-N 1 0 305.425 4.405 20 5 DIBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001200845109 1054032278 /nfs/dbraw/zinc/03/22/78/1054032278.db2.gz QOVOPSYDSTUUFA-QFBILLFUSA-N 1 0 316.445 4.500 20 5 DIBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001200845108 1054033210 /nfs/dbraw/zinc/03/32/10/1054033210.db2.gz QOVOPSYDSTUUFA-LPHOPBHVSA-N 1 0 316.445 4.500 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000848526945 1054127255 /nfs/dbraw/zinc/12/72/55/1054127255.db2.gz MNWJLWLKAKDJPH-FZMZJTMJSA-N 1 0 302.399 4.303 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1F ZINC000848556472 1054147805 /nfs/dbraw/zinc/14/78/05/1054147805.db2.gz YNXNHAJEQBPOGJ-MEDUHNTESA-N 1 0 317.364 4.118 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cc(Br)ccc21 ZINC001233721225 1054341906 /nfs/dbraw/zinc/34/19/06/1054341906.db2.gz HDMPACAHQQQBJQ-LBPRGKRZSA-N 1 0 323.254 4.076 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(-c2ccc(Cl)cc2)c1 ZINC001233919032 1054388167 /nfs/dbraw/zinc/38/81/67/1054388167.db2.gz IIORMAPTYSRJQM-CQSZACIVSA-N 1 0 304.841 4.481 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1ccccc1 ZINC001234328618 1054503738 /nfs/dbraw/zinc/50/37/38/1054503738.db2.gz OIAJGFYFCWZBEM-CQSZACIVSA-N 1 0 304.841 4.481 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4CC[N@@H+](C)C4)c3c2n1 ZINC001234914874 1054618894 /nfs/dbraw/zinc/61/88/94/1054618894.db2.gz RWUWAZIRFUTWQL-INIZCTEOSA-N 1 0 306.409 4.088 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H](C)C[N+](C)(C)C)c3c2n1 ZINC001234912070 1054619682 /nfs/dbraw/zinc/61/96/82/1054619682.db2.gz HFWMIDUGJKMCSL-MRXNPFEDSA-N 1 0 323.460 4.478 20 5 DIBDRO Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC001473551731 1054743167 /nfs/dbraw/zinc/74/31/67/1054743167.db2.gz ZQUBRYISTBZCSQ-UHFFFAOYSA-N 1 0 318.804 4.497 20 5 DIBDRO CC(C)(C)CC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168793 1054840121 /nfs/dbraw/zinc/84/01/21/1054840121.db2.gz HKZUTVDQONARHP-UHFFFAOYSA-N 1 0 305.378 4.040 20 5 DIBDRO CCN(Cc1c2ccccc2cc2ccccc21)[C@H]1CC[NH2+]C1 ZINC001235969723 1054877278 /nfs/dbraw/zinc/87/72/78/1054877278.db2.gz FJOQZMDOQMIUQE-SFHVURJKSA-N 1 0 304.437 4.177 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061141 1054921768 /nfs/dbraw/zinc/92/17/68/1054921768.db2.gz NOCJLASHLLNRHK-LPHOPBHVSA-N 1 0 316.448 4.177 20 5 DIBDRO C[NH2+][C@@H]1CCN1Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001236166890 1054976786 /nfs/dbraw/zinc/97/67/86/1054976786.db2.gz JGRDLRGOOQEKSM-SFHVURJKSA-N 1 0 310.828 4.398 20 5 DIBDRO CCCCC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001168531764 1055166437 /nfs/dbraw/zinc/16/64/37/1055166437.db2.gz SQRULGRITQTRGG-IAGOWNOFSA-N 1 0 322.449 4.213 20 5 DIBDRO C[C@H]([NH2+]CCSCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000764616949 1055224525 /nfs/dbraw/zinc/22/45/25/1055224525.db2.gz VJOPAPMYNULQSI-AWEZNQCLSA-N 1 0 316.426 4.179 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000075675586 1055443048 /nfs/dbraw/zinc/44/30/48/1055443048.db2.gz XZUFCEBTEPBBDH-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO CC[C@@H](CSc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001620870293 1055498369 /nfs/dbraw/zinc/49/83/69/1055498369.db2.gz AMDITYUIEIBVNY-HNNXBMFYSA-N 1 0 316.426 4.255 20 5 DIBDRO C[C@H](CCCO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001620950727 1055566133 /nfs/dbraw/zinc/56/61/33/1055566133.db2.gz LIOQRUVSKNQCSG-MRXNPFEDSA-N 1 0 307.437 4.491 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCSC(C)(C)C)cc1[N+](=O)[O-] ZINC001168553275 1055566483 /nfs/dbraw/zinc/56/64/83/1055566483.db2.gz PEHDPFOKZFVNBG-ZDUSSCGKSA-N 1 0 310.463 4.476 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC001620997494 1055968140 /nfs/dbraw/zinc/96/81/40/1055968140.db2.gz MDFNJFRXRDLOHQ-UHFFFAOYSA-N 1 0 308.422 4.013 20 5 DIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001620818406 1056090046 /nfs/dbraw/zinc/09/00/46/1056090046.db2.gz VCOFVHKIHVWJSH-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO C[C@@H](N[C@H](C)c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000090963351 1056123781 /nfs/dbraw/zinc/12/37/81/1056123781.db2.gz UBJIFCHGMXFEHH-GHMZBOCLSA-N 1 0 306.312 4.285 20 5 DIBDRO CC(C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC001611769973 1056188426 /nfs/dbraw/zinc/18/84/26/1056188426.db2.gz DVFOXCGBTPVYBN-QGZVFWFLSA-N 1 0 323.412 4.046 20 5 DIBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000554850028 1056452453 /nfs/dbraw/zinc/45/24/53/1056452453.db2.gz HAOKFZNMGRHYDU-CWRNSKLLSA-N 1 0 318.417 4.004 20 5 DIBDRO c1cnc2c(c1)ccc1c(-c3ccc4c(c3)CC[NH2+]C4)ccnc12 ZINC001240458503 1056521245 /nfs/dbraw/zinc/52/12/45/1056521245.db2.gz KDKICDPECBMDSN-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001616295597 1056629952 /nfs/dbraw/zinc/62/99/52/1056629952.db2.gz QJXAGCLSSPXTHG-JKSUJKDBSA-N 1 0 320.433 4.298 20 5 DIBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC001616308908 1056631920 /nfs/dbraw/zinc/63/19/20/1056631920.db2.gz LLPKIKXISJBHNS-XJKSGUPXSA-N 1 0 306.406 4.004 20 5 DIBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC001616308906 1056632098 /nfs/dbraw/zinc/63/20/98/1056632098.db2.gz LLPKIKXISJBHNS-CJNGLKHVSA-N 1 0 306.406 4.004 20 5 DIBDRO c1ccc2cc3cc(-c4ncc5c(n4)C[NH2+]CC5)ccc3cc2c1 ZINC001240680345 1056636477 /nfs/dbraw/zinc/63/64/77/1056636477.db2.gz ULNVUKVYDVKMTM-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C ZINC001616339171 1056637681 /nfs/dbraw/zinc/63/76/81/1056637681.db2.gz VZZBFQVIWZHZAG-UHFFFAOYSA-N 1 0 323.393 4.007 20 5 DIBDRO Cc1ccc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001616474905 1056663611 /nfs/dbraw/zinc/66/36/11/1056663611.db2.gz DTOFDRMJZWFLKK-UHFFFAOYSA-N 1 0 310.397 4.110 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC001616628732 1056690053 /nfs/dbraw/zinc/69/00/53/1056690053.db2.gz FLCSKOIFHQUBII-GJZGRUSLSA-N 1 0 302.418 4.476 20 5 DIBDRO CCOc1cc(C[N@H+]2CC=C(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001616951278 1056745508 /nfs/dbraw/zinc/74/55/08/1056745508.db2.gz LOVBIRXHVREBSE-UHFFFAOYSA-N 1 0 318.417 4.172 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccccc3)CCCC2)cs1 ZINC000113958361 1056799109 /nfs/dbraw/zinc/79/91/09/1056799109.db2.gz HXAMNAMWSNHVCD-UHFFFAOYSA-N 1 0 302.399 4.215 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001617766498 1056878473 /nfs/dbraw/zinc/87/84/73/1056878473.db2.gz SSUDQWWRSHDFMS-NLWGTHIKSA-N 1 0 322.408 4.363 20 5 DIBDRO CCCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001618189913 1056931350 /nfs/dbraw/zinc/93/13/50/1056931350.db2.gz DKGSAGZSCWRQNP-GOSISDBHSA-N 1 0 320.433 4.063 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347715157 1057013924 /nfs/dbraw/zinc/01/39/24/1057013924.db2.gz GACHEKSSLCVMDQ-HNNXBMFYSA-N 1 0 323.396 4.149 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000390856937 1057051091 /nfs/dbraw/zinc/05/10/91/1057051091.db2.gz ADDPHCGHHQDQNK-UONOGXRCSA-N 1 0 310.397 4.495 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000555619374 1057080240 /nfs/dbraw/zinc/08/02/40/1057080240.db2.gz KOCPFYRCUZFUFN-MXEMYUMHSA-N 1 0 322.408 4.391 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000172831456 1057269531 /nfs/dbraw/zinc/26/95/31/1057269531.db2.gz OVYWJCCNEVHARN-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000611336111 1057591364 /nfs/dbraw/zinc/59/13/64/1057591364.db2.gz KARIDAXUDTUQKC-ZFWWWQNUSA-N 1 0 313.401 4.327 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000611336838 1057591660 /nfs/dbraw/zinc/59/16/60/1057591660.db2.gz PNDITGVIHZUDPZ-YOEHRIQHSA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000611433887 1057599126 /nfs/dbraw/zinc/59/91/26/1057599126.db2.gz QJHXHUBICSLMPA-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000611470546 1057602444 /nfs/dbraw/zinc/60/24/44/1057602444.db2.gz RBNZPMSXWHDYCB-ZDUSSCGKSA-N 1 0 314.360 4.464 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000732229941 1057771357 /nfs/dbraw/zinc/77/13/57/1057771357.db2.gz QCMKIWVWZVOVRG-CYBMUJFWSA-N 1 0 316.788 4.068 20 5 DIBDRO O=[N+]([O-])c1ccc(NCCCCCCC[NH+]2CCCC2)c(F)c1 ZINC001559082250 1058972607 /nfs/dbraw/zinc/97/26/07/1058972607.db2.gz GUTPOUZCTGOSEV-UHFFFAOYSA-N 1 0 323.412 4.192 20 5 DIBDRO C[C@@H]1C[C@H](N(C)Cc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001246863832 1059135853 /nfs/dbraw/zinc/13/58/53/1059135853.db2.gz ZYVUZUICFPOIMZ-QAPCUYQASA-N 1 0 304.437 4.175 20 5 DIBDRO C[C@@H](C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC001559522943 1059320171 /nfs/dbraw/zinc/32/01/71/1059320171.db2.gz BQOAIHNFHNQODC-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001559535466 1059335013 /nfs/dbraw/zinc/33/50/13/1059335013.db2.gz QWBUDQAZZIGIBB-IBGZPJMESA-N 1 0 312.413 4.466 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C(C)C ZINC001559540994 1059343759 /nfs/dbraw/zinc/34/37/59/1059343759.db2.gz FURMILPNHPUHJH-KRWDZBQOSA-N 1 0 320.433 4.393 20 5 DIBDRO CC[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001559563282 1059386810 /nfs/dbraw/zinc/38/68/10/1059386810.db2.gz SLHJICWINVPFKE-SFHVURJKSA-N 1 0 320.433 4.394 20 5 DIBDRO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001559583778 1059414060 /nfs/dbraw/zinc/41/40/60/1059414060.db2.gz QIZVZUUPRDNSRL-NSHDSACASA-N 1 0 324.833 4.373 20 5 DIBDRO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001559595109 1059428028 /nfs/dbraw/zinc/42/80/28/1059428028.db2.gz YSZIULCOKWAMOO-CABCVRRESA-N 1 0 302.418 4.169 20 5 DIBDRO C[N@H+](CCCc1ccsc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001559639179 1059465258 /nfs/dbraw/zinc/46/52/58/1059465258.db2.gz CQXRWHWPJXWSJQ-UHFFFAOYSA-N 1 0 324.833 4.374 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001559650537 1059479002 /nfs/dbraw/zinc/47/90/02/1059479002.db2.gz HMMAVPVOCFEXKT-CQSZACIVSA-N 1 0 324.396 4.287 20 5 DIBDRO [NH3+]CC1(c2nc(-c3cc4ccccc4c4ccccc34)no2)CC1 ZINC001247457955 1059493429 /nfs/dbraw/zinc/49/34/29/1059493429.db2.gz ZKETUNOMOTWIPY-UHFFFAOYSA-N 1 0 315.376 4.033 20 5 DIBDRO CC[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001559703663 1059531875 /nfs/dbraw/zinc/53/18/75/1059531875.db2.gz JGNDGORWRAVHGT-SJORKVTESA-N 1 0 318.417 4.127 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001559703662 1059532558 /nfs/dbraw/zinc/53/25/58/1059532558.db2.gz JGNDGORWRAVHGT-IRXDYDNUSA-N 1 0 318.417 4.127 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCc2ccccc2)C2CC2)cc1 ZINC001559713022 1059539356 /nfs/dbraw/zinc/53/93/56/1059539356.db2.gz DQBVSGGABLMMRZ-UHFFFAOYSA-N 1 0 310.397 4.192 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(Cc3ccccc3)CCCC2)cc1 ZINC001559733933 1059567155 /nfs/dbraw/zinc/56/71/55/1059567155.db2.gz ATIGVHVXCJPYGB-UHFFFAOYSA-N 1 0 324.424 4.282 20 5 DIBDRO CC(C)([NH3+])Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247615848 1059574813 /nfs/dbraw/zinc/57/48/13/1059574813.db2.gz QRKIQCGHIXTTAF-UHFFFAOYSA-N 1 0 317.392 4.323 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCC[C@H]1C ZINC001559751335 1059580486 /nfs/dbraw/zinc/58/04/86/1059580486.db2.gz COBOAKYDYIRKSF-CJNGLKHVSA-N 1 0 306.406 4.004 20 5 DIBDRO CCOc1cc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001559775871 1059611893 /nfs/dbraw/zinc/61/18/93/1059611893.db2.gz OQGGPQUWENEUMB-ZFWWWQNUSA-N 1 0 320.433 4.298 20 5 DIBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1OC ZINC001559811432 1059646427 /nfs/dbraw/zinc/64/64/27/1059646427.db2.gz JEFNMYWLCIRHBO-XKQJLSEDSA-N 1 0 320.433 4.148 20 5 DIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC(C)(C)C1 ZINC001559904839 1059721095 /nfs/dbraw/zinc/72/10/95/1059721095.db2.gz KVULJUCONUNPFP-UHFFFAOYSA-N 1 0 320.433 4.393 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001559977467 1059785928 /nfs/dbraw/zinc/78/59/28/1059785928.db2.gz WDVFVCPSNNFMEJ-AWEZNQCLSA-N 1 0 306.381 4.136 20 5 DIBDRO Cc1ccc(C[NH+]2CCC3(CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001559981232 1059787813 /nfs/dbraw/zinc/78/78/13/1059787813.db2.gz JEIFETPZTFLPIH-UHFFFAOYSA-N 1 0 302.418 4.450 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](C3CCCCC3)C2)cc1 ZINC001560024896 1059839976 /nfs/dbraw/zinc/83/99/76/1059839976.db2.gz XHTGVHPCRKSSRL-GOSISDBHSA-N 1 0 316.445 4.430 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001560059786 1059871828 /nfs/dbraw/zinc/87/18/28/1059871828.db2.gz XYTSCFLOIIDXNA-QGZVFWFLSA-N 1 0 320.339 4.288 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001560095439 1059901836 /nfs/dbraw/zinc/90/18/36/1059901836.db2.gz ABYLIMNVNSGCMT-SFHVURJKSA-N 1 0 318.417 4.148 20 5 DIBDRO C[NH+](C)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001248604077 1059908945 /nfs/dbraw/zinc/90/89/45/1059908945.db2.gz LWDLOHDDADAKNZ-UHFFFAOYSA-N 1 0 305.765 4.053 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001560137930 1059942112 /nfs/dbraw/zinc/94/21/12/1059942112.db2.gz MGNHCBHTYNAFPD-VPWXQRGCSA-N 1 0 322.408 4.238 20 5 DIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCCCCC2)c1 ZINC001560253820 1060020661 /nfs/dbraw/zinc/02/06/61/1060020661.db2.gz HKWUMTQFYMKLPX-UHFFFAOYSA-N 1 0 314.332 4.009 20 5 DIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC001560319286 1060104591 /nfs/dbraw/zinc/10/45/91/1060104591.db2.gz YKRUGBBQUWJXOS-GOEBONIOSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1cc(C)c(/C=C\C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001560320140 1060106698 /nfs/dbraw/zinc/10/66/98/1060106698.db2.gz OCBKUWOAQHFIKT-PLNGDYQASA-N 1 0 324.424 4.366 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC001560394869 1060181629 /nfs/dbraw/zinc/18/16/29/1060181629.db2.gz RXTHQTGIMZKGIJ-MRXNPFEDSA-N 1 0 308.447 4.094 20 5 DIBDRO Clc1c2ccccc2c(C[NH2+]CCN2CCC2)c2ccccc12 ZINC001560409410 1060195834 /nfs/dbraw/zinc/19/58/34/1060195834.db2.gz PFTFWUWOMQMKSF-UHFFFAOYSA-N 1 0 324.855 4.442 20 5 DIBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC001560417421 1060202619 /nfs/dbraw/zinc/20/26/19/1060202619.db2.gz CKJPPRMOLYJZMX-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO Cc1ccc2c(CC[NH2+]Cc3cccc([N+](=O)[O-])c3C)c[nH]c2c1 ZINC001560444895 1060234377 /nfs/dbraw/zinc/23/43/77/1060234377.db2.gz FZBGQEDRNCPTBH-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO Cc1c(C[NH2+]CCCc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC001560459086 1060249076 /nfs/dbraw/zinc/24/90/76/1060249076.db2.gz MIFUGLFNGMFIDZ-UHFFFAOYSA-N 1 0 318.804 4.279 20 5 DIBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001560460852 1060251649 /nfs/dbraw/zinc/25/16/49/1060251649.db2.gz BHKJUKATVOVGFB-ZWNOBZJWSA-N 1 0 316.323 4.282 20 5 DIBDRO CN(C)C1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC001560509725 1060307290 /nfs/dbraw/zinc/30/72/90/1060307290.db2.gz PEGNYYFEJBDWMZ-UHFFFAOYSA-N 1 0 304.437 4.177 20 5 DIBDRO CCC[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)OCC ZINC001560545214 1060355202 /nfs/dbraw/zinc/35/52/02/1060355202.db2.gz YXBSDYCHXREZNH-OAHLLOKOSA-N 1 0 308.422 4.013 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC001560547940 1060357997 /nfs/dbraw/zinc/35/79/97/1060357997.db2.gz WLGQGMDGJIZWAL-CQSZACIVSA-N 1 0 308.447 4.094 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001560587367 1060400704 /nfs/dbraw/zinc/40/07/04/1060400704.db2.gz JQISUJCQOJJUID-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001560591944 1060405117 /nfs/dbraw/zinc/40/51/17/1060405117.db2.gz SERGDKYFYIGXEO-QWHCGFSZSA-N 1 0 300.358 4.133 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001560607641 1060421629 /nfs/dbraw/zinc/42/16/29/1060421629.db2.gz KRWZQORTDROMEG-GXTWGEPZSA-N 1 0 308.447 4.092 20 5 DIBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001560776479 1060640890 /nfs/dbraw/zinc/64/08/90/1060640890.db2.gz KYGDRUAAHSJEMA-MFKMUULPSA-N 1 0 316.323 4.234 20 5 DIBDRO C[C@H](CC1CCC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001560804825 1060665889 /nfs/dbraw/zinc/66/58/89/1060665889.db2.gz OIHMRWHCDZLCIQ-SNVBAGLBSA-N 1 0 316.323 4.282 20 5 DIBDRO CN1CC[NH+](CCCc2cc3ccccc3c3ccccc23)CC1 ZINC001250229068 1060709092 /nfs/dbraw/zinc/70/90/92/1060709092.db2.gz OUOHRAQFULVULP-UHFFFAOYSA-N 1 0 318.464 4.173 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC001560886079 1060748670 /nfs/dbraw/zinc/74/86/70/1060748670.db2.gz UFYSGGIVGNQMTH-IUODEOHRSA-N 1 0 308.809 4.164 20 5 DIBDRO C[C@@H](CCc1ccsc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001560995280 1060856376 /nfs/dbraw/zinc/85/63/76/1060856376.db2.gz GYFJJQGAKIASGM-STQMWFEESA-N 1 0 304.415 4.328 20 5 DIBDRO C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1[N+](=O)[O-] ZINC001560995578 1060856624 /nfs/dbraw/zinc/85/66/24/1060856624.db2.gz QLQCAUAGMPSMHA-ABAIWWIYSA-N 1 0 316.788 4.066 20 5 DIBDRO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001462147922 1060967099 /nfs/dbraw/zinc/96/70/99/1060967099.db2.gz KADQTLKFVHDQCX-CRAIPNDOSA-N 1 0 302.418 4.062 20 5 DIBDRO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001462147934 1060967643 /nfs/dbraw/zinc/96/76/43/1060967643.db2.gz KADQTLKFVHDQCX-YJBOKZPZSA-N 1 0 302.418 4.062 20 5 DIBDRO Cc1cccc2[nH]c(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc21 ZINC001462152628 1060975726 /nfs/dbraw/zinc/97/57/26/1060975726.db2.gz XGVCCKZLYGLJIV-UHFFFAOYSA-N 1 0 323.396 4.059 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001473274347 1061048778 /nfs/dbraw/zinc/04/87/78/1061048778.db2.gz VTWRYTMEHDIRPN-DLBZAZTESA-N 1 0 320.433 4.168 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12CCC2 ZINC001473310889 1061074029 /nfs/dbraw/zinc/07/40/29/1061074029.db2.gz CFWSUFUUOPYEGU-GFCCVEGCSA-N 1 0 308.809 4.260 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001473316932 1061082225 /nfs/dbraw/zinc/08/22/25/1061082225.db2.gz ZCKAATIYEBCVFG-CQSZACIVSA-N 1 0 316.376 4.326 20 5 DIBDRO CCc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC001473343422 1061102628 /nfs/dbraw/zinc/10/26/28/1061102628.db2.gz LOGANOLMSCNABQ-UHFFFAOYSA-N 1 0 310.397 4.322 20 5 DIBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCCCC1 ZINC001473369445 1061116216 /nfs/dbraw/zinc/11/62/16/1061116216.db2.gz QYSQDVFXNBSHAW-LLVKDONJSA-N 1 0 312.360 4.322 20 5 DIBDRO CCOc1cc(C[N@H+](C)[C@@H](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC001473442104 1061161338 /nfs/dbraw/zinc/16/13/38/1061161338.db2.gz VDUQPGKCWDENTA-AWEZNQCLSA-N 1 0 320.433 4.394 20 5 DIBDRO CC1(C)CCC[C@H]1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001462454541 1061183930 /nfs/dbraw/zinc/18/39/30/1061183930.db2.gz GXDJOJKIMPZTON-LBPRGKRZSA-N 1 0 317.389 4.042 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001473493278 1061188180 /nfs/dbraw/zinc/18/81/80/1061188180.db2.gz YKLBTQSONSIRDF-OAHLLOKOSA-N 1 0 314.360 4.114 20 5 DIBDRO CCC(CC)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001462520352 1061227940 /nfs/dbraw/zinc/22/79/40/1061227940.db2.gz VWQIIZJOJIJWQX-UHFFFAOYSA-N 1 0 318.339 4.096 20 5 DIBDRO Cc1ccc(CC(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001473564421 1061250411 /nfs/dbraw/zinc/25/04/11/1061250411.db2.gz LUWPKNYRNJNDKB-UHFFFAOYSA-N 1 0 312.413 4.057 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C3CCCCC3)C2)cc1 ZINC001473621001 1061296331 /nfs/dbraw/zinc/29/63/31/1061296331.db2.gz DZCFZPHQXFVFIX-KRWDZBQOSA-N 1 0 302.418 4.040 20 5 DIBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001462624120 1061305820 /nfs/dbraw/zinc/30/58/20/1061305820.db2.gz DDUKQRQAAAJMOU-HOTGVXAUSA-N 1 0 312.413 4.400 20 5 DIBDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001462632418 1061307486 /nfs/dbraw/zinc/30/74/86/1061307486.db2.gz VXOCUQJWIKGMOW-ZIAGYGMSSA-N 1 0 316.376 4.058 20 5 DIBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001462632411 1061307982 /nfs/dbraw/zinc/30/79/82/1061307982.db2.gz VXOCUQJWIKGMOW-KGLIPLIRSA-N 1 0 316.376 4.058 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC001473651165 1061318035 /nfs/dbraw/zinc/31/80/35/1061318035.db2.gz NPJANELGIXJZNM-GFCCVEGCSA-N 1 0 303.189 4.180 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@]12C[C@@H]1CCCC2 ZINC001473711406 1061362349 /nfs/dbraw/zinc/36/23/49/1061362349.db2.gz QIKJBBBVTWGYDD-DETPVDSQSA-N 1 0 308.809 4.307 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001473784457 1061409627 /nfs/dbraw/zinc/40/96/27/1061409627.db2.gz XMUXXHMHLOXYHT-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001473818835 1061421877 /nfs/dbraw/zinc/42/18/77/1061421877.db2.gz XGDJNHHLSQXEES-XJKSGUPXSA-N 1 0 316.426 4.424 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC001473959071 1061500561 /nfs/dbraw/zinc/50/05/61/1061500561.db2.gz JROPIIZRWMVLOS-LZRUTDMSSA-N 1 0 302.418 4.414 20 5 DIBDRO Cc1cc2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)oc2cc1C ZINC001473987827 1061531144 /nfs/dbraw/zinc/53/11/44/1061531144.db2.gz PREBWGKWDMXAMN-UHFFFAOYSA-N 1 0 324.380 4.290 20 5 DIBDRO CCC(CC)(C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)SC ZINC001474027593 1061568224 /nfs/dbraw/zinc/56/82/24/1061568224.db2.gz HWSUTQPLWQOYDE-UHFFFAOYSA-N 1 0 310.463 4.223 20 5 DIBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC001458135300 1061590897 /nfs/dbraw/zinc/59/08/97/1061590897.db2.gz HHQBGKWYWBGTIW-CYBMUJFWSA-N 1 0 311.451 4.031 20 5 DIBDRO COc1ccc(C[NH2+]CC2(C)CCCCCC2)cc1[N+](=O)[O-] ZINC001474087516 1061634349 /nfs/dbraw/zinc/63/43/49/1061634349.db2.gz YBZCKERCBYTEPF-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCC2(CCC2)CC1 ZINC001474088926 1061634689 /nfs/dbraw/zinc/63/46/89/1061634689.db2.gz ZLYSEUQPYIXJAN-UHFFFAOYSA-N 1 0 322.836 4.493 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3ccccc3c2)c1 ZINC001474098414 1061645138 /nfs/dbraw/zinc/64/51/38/1061645138.db2.gz WZOZDWCUNWFRCF-UHFFFAOYSA-N 1 0 306.365 4.080 20 5 DIBDRO CCC1(CC)CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001474098778 1061645442 /nfs/dbraw/zinc/64/54/42/1061645442.db2.gz OZKYRBPXBVQNQL-UHFFFAOYSA-N 1 0 304.434 4.476 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCCC1(F)F ZINC001474158679 1061701362 /nfs/dbraw/zinc/70/13/62/1061701362.db2.gz TZZSJBDAPODTFT-CYBMUJFWSA-N 1 0 312.360 4.127 20 5 DIBDRO Cc1c(C[N@H+](C)Cc2cc3ccccc3[nH]2)cccc1[N+](=O)[O-] ZINC001252733506 1061705302 /nfs/dbraw/zinc/70/53/02/1061705302.db2.gz UBIVLGWQKMWNDG-UHFFFAOYSA-N 1 0 309.369 4.017 20 5 DIBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC001458415974 1061750740 /nfs/dbraw/zinc/75/07/40/1061750740.db2.gz QLKRDGFHZFIGNC-NSHDSACASA-N 1 0 315.364 4.065 20 5 DIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2CC=CC2)cc1[N+](=O)[O-] ZINC001474200539 1061751504 /nfs/dbraw/zinc/75/15/04/1061751504.db2.gz DXXRFQQFCXCBEM-UHFFFAOYSA-N 1 0 323.396 4.171 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCC2(CC2)CC1 ZINC001474225852 1061786539 /nfs/dbraw/zinc/78/65/39/1061786539.db2.gz YXKYPFYMMHGPEL-UHFFFAOYSA-N 1 0 318.417 4.054 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(CC(C)C)cc2)cc1[N+](=O)[O-] ZINC001474240260 1061801318 /nfs/dbraw/zinc/80/13/18/1061801318.db2.gz YDSRQFSOYSFSAC-UHFFFAOYSA-N 1 0 312.413 4.392 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001474241413 1061804709 /nfs/dbraw/zinc/80/47/09/1061804709.db2.gz MSNGMHBAWYKOJI-KRWDZBQOSA-N 1 0 320.433 4.156 20 5 DIBDRO CC[NH+](CC)C[C@H](O)CNc1ccc2cc3ccccc3cc2c1 ZINC001253198800 1061827242 /nfs/dbraw/zinc/82/72/42/1061827242.db2.gz IAPQAFVNUODRTP-OAQYLSRUSA-N 1 0 322.452 4.108 20 5 DIBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001474265592 1061832256 /nfs/dbraw/zinc/83/22/56/1061832256.db2.gz BSBXBAYVOHGNIM-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(C3CC3)CCC2)o1 ZINC001474266673 1061833915 /nfs/dbraw/zinc/83/39/15/1061833915.db2.gz ULZIMXKKFXXITC-UHFFFAOYSA-N 1 0 312.369 4.277 20 5 DIBDRO C[C@H](C[NH2+]Cc1cnc2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC001474282811 1061849303 /nfs/dbraw/zinc/84/93/03/1061849303.db2.gz FAGXJEYMDZSDTP-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC001474343611 1061946434 /nfs/dbraw/zinc/94/64/34/1061946434.db2.gz SEKGWCBKKKPHMA-DLBZAZTESA-N 1 0 320.458 4.072 20 5 DIBDRO C[N@H+](CCc1ccccc1F)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001474366636 1061998096 /nfs/dbraw/zinc/99/80/96/1061998096.db2.gz WLCRSTQAMSNKSJ-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474396681 1062054494 /nfs/dbraw/zinc/05/44/94/1062054494.db2.gz MRJAEGBFIOLNIN-HOTGVXAUSA-N 1 0 310.825 4.349 20 5 DIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC001459308967 1062074824 /nfs/dbraw/zinc/07/48/24/1062074824.db2.gz CFCFIYFMYNQZMU-INIZCTEOSA-N 1 0 318.417 4.018 20 5 DIBDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001459358513 1062110681 /nfs/dbraw/zinc/11/06/81/1062110681.db2.gz WXAHDECZWVHMBC-OAHLLOKOSA-N 1 0 306.406 4.147 20 5 DIBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001474460964 1062140733 /nfs/dbraw/zinc/14/07/33/1062140733.db2.gz JTKXWGBCCRDCAG-UKRRQHHQSA-N 1 0 308.397 4.428 20 5 DIBDRO Cc1c(Cl)cccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001474469216 1062149352 /nfs/dbraw/zinc/14/93/52/1062149352.db2.gz FIWFSKBMGYECKG-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC001459472563 1062158492 /nfs/dbraw/zinc/15/84/92/1062158492.db2.gz ZACINEGQFLSAHY-STQMWFEESA-N 1 0 306.406 4.002 20 5 DIBDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001254536576 1062163330 /nfs/dbraw/zinc/16/33/30/1062163330.db2.gz QARXUKRAHGFCHJ-MRXNPFEDSA-N 1 0 312.413 4.241 20 5 DIBDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001254536566 1062163713 /nfs/dbraw/zinc/16/37/13/1062163713.db2.gz QARXUKRAHGFCHJ-INIZCTEOSA-N 1 0 312.413 4.241 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001254532242 1062164218 /nfs/dbraw/zinc/16/42/18/1062164218.db2.gz LXFXSIPPLQRIBI-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cc1Cl ZINC001254534724 1062164454 /nfs/dbraw/zinc/16/44/54/1062164454.db2.gz BZUPOBISLKLGNG-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cc1Cl ZINC001254534723 1062164574 /nfs/dbraw/zinc/16/45/74/1062164574.db2.gz BZUPOBISLKLGNG-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001254535146 1062165453 /nfs/dbraw/zinc/16/54/53/1062165453.db2.gz HRGAXHRZZVUUIX-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1csc(Cl)c1 ZINC001254539267 1062166796 /nfs/dbraw/zinc/16/67/96/1062166796.db2.gz CIZONQALEITTNC-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(F)c1Cl ZINC001254539323 1062166916 /nfs/dbraw/zinc/16/69/16/1062166916.db2.gz HDCNNDKCYRNDPA-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC001254545857 1062170059 /nfs/dbraw/zinc/17/00/59/1062170059.db2.gz QAYSWJNUPWJANP-NWDGAFQWSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccc2)CCC1 ZINC001254542069 1062170874 /nfs/dbraw/zinc/17/08/74/1062170874.db2.gz LHFBUJHOIIKIRI-OAHLLOKOSA-N 1 0 310.397 4.195 20 5 DIBDRO C[NH2+]Cc1ccc2c(ccn2[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254551997 1062173071 /nfs/dbraw/zinc/17/30/71/1062173071.db2.gz HTPUGDGXULDBFU-AWEZNQCLSA-N 1 0 323.396 4.073 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1ccccc1F ZINC001254549739 1062173874 /nfs/dbraw/zinc/17/38/74/1062173874.db2.gz YNASTERVHGMOIR-CYBMUJFWSA-N 1 0 316.376 4.190 20 5 DIBDRO Cc1ccc(Cl)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254548780 1062174457 /nfs/dbraw/zinc/17/44/57/1062174457.db2.gz PSVBYZMDZGLWEA-CYBMUJFWSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001254558464 1062177239 /nfs/dbraw/zinc/17/72/39/1062177239.db2.gz AWECOGINYWJEST-VQIMIIECSA-N 1 0 324.424 4.405 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001254563659 1062179940 /nfs/dbraw/zinc/17/99/40/1062179940.db2.gz AOGVQVPGKSSKRS-OAHLLOKOSA-N 1 0 324.424 4.319 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Cl)cc1 ZINC001254563113 1062180765 /nfs/dbraw/zinc/18/07/65/1062180765.db2.gz UGCYGFJQXPGVJH-CYBMUJFWSA-N 1 0 318.804 4.311 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](Cc1ccccc1)C1CC1 ZINC001254568258 1062183267 /nfs/dbraw/zinc/18/32/67/1062183267.db2.gz YKXJUIQXZOZZTJ-OAHLLOKOSA-N 1 0 310.397 4.190 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3sccc3c1)C2 ZINC001254575902 1062185724 /nfs/dbraw/zinc/18/57/24/1062185724.db2.gz UOZPLJVNVXZHIR-INIZCTEOSA-N 1 0 324.405 4.067 20 5 DIBDRO CCC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254573761 1062186020 /nfs/dbraw/zinc/18/60/20/1062186020.db2.gz BYQJEDKJESSGHP-HKUYNNGSSA-N 1 0 310.397 4.193 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]3CCCC[C@H]13)C2 ZINC001254575458 1062187041 /nfs/dbraw/zinc/18/70/41/1062187041.db2.gz QUYLQWBTBJJVHQ-KRDRHDLTSA-N 1 0 314.429 4.011 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001254571453 1062187486 /nfs/dbraw/zinc/18/74/86/1062187486.db2.gz VZCIHYUWXYDKRQ-AUUYWEPGSA-N 1 0 310.397 4.145 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001254590064 1062192129 /nfs/dbraw/zinc/19/21/29/1062192129.db2.gz UHWVHVNYVSVRBI-RHSMWYFYSA-N 1 0 310.397 4.030 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCCc3ccccc31)C2 ZINC001254590023 1062192872 /nfs/dbraw/zinc/19/28/72/1062192872.db2.gz SSZKDIKOWORWAA-XLIONFOSSA-N 1 0 322.408 4.119 20 5 DIBDRO CC[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605511 1062195887 /nfs/dbraw/zinc/19/58/87/1062195887.db2.gz AVKFATPBKKXUCO-QUCCMNQESA-N 1 0 322.408 4.071 20 5 DIBDRO CC(C)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC001474521041 1062206173 /nfs/dbraw/zinc/20/61/73/1062206173.db2.gz INEQHUUYGAANGN-ZBFHGGJFSA-N 1 0 310.825 4.361 20 5 DIBDRO CCC[C@@]1(C)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001459578096 1062220661 /nfs/dbraw/zinc/22/06/61/1062220661.db2.gz KQSGLRWVFOODKX-SFHVURJKSA-N 1 0 320.433 4.266 20 5 DIBDRO CCC1CCC([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001459623830 1062258846 /nfs/dbraw/zinc/25/88/46/1062258846.db2.gz QYHJDZTUFWPGAX-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO CC(C)(C)SCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001459686313 1062306587 /nfs/dbraw/zinc/30/65/87/1062306587.db2.gz KSTOGVDGXASQLV-UHFFFAOYSA-N 1 0 322.474 4.481 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001474599703 1062310837 /nfs/dbraw/zinc/31/08/37/1062310837.db2.gz RMOYTVYETVTEBK-BJEBXGQRSA-N 1 0 300.402 4.263 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1=CCCC1 ZINC001474636375 1062361591 /nfs/dbraw/zinc/36/15/91/1062361591.db2.gz NHGNYRBIAGJRBM-NVXWUHKLSA-N 1 0 300.402 4.006 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001459800678 1062411218 /nfs/dbraw/zinc/41/12/18/1062411218.db2.gz PBIPUVORMNPUIV-CABCVRRESA-N 1 0 320.433 4.168 20 5 DIBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC001459881918 1062469109 /nfs/dbraw/zinc/46/91/09/1062469109.db2.gz VLROZVPIJSWWPX-GOSISDBHSA-N 1 0 314.385 4.023 20 5 DIBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459967969 1062534113 /nfs/dbraw/zinc/53/41/13/1062534113.db2.gz MJBAQBWNXACROH-WFASDCNBSA-N 1 0 324.396 4.143 20 5 DIBDRO Cc1cccc(Cl)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001460008351 1062565580 /nfs/dbraw/zinc/56/55/80/1062565580.db2.gz UOUQNVXSTWZAEG-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC001460079427 1062622600 /nfs/dbraw/zinc/62/26/00/1062622600.db2.gz MPJHVYKCUHBMOV-ZIAGYGMSSA-N 1 0 320.433 4.296 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1F ZINC001460086123 1062624979 /nfs/dbraw/zinc/62/49/79/1062624979.db2.gz MDMJXHFXPLICNQ-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001460187064 1062687426 /nfs/dbraw/zinc/68/74/26/1062687426.db2.gz WZBVIVQFGFURNY-GJZGRUSLSA-N 1 0 320.433 4.120 20 5 DIBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001460187060 1062687568 /nfs/dbraw/zinc/68/75/68/1062687568.db2.gz WZBVIVQFGFURNY-CABCVRRESA-N 1 0 320.433 4.120 20 5 DIBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001460221619 1062707579 /nfs/dbraw/zinc/70/75/79/1062707579.db2.gz DMFJMOABSPNQSQ-IEBWSBKVSA-N 1 0 310.397 4.363 20 5 DIBDRO CC[N@H+](Cc1occc1C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001460259294 1062740132 /nfs/dbraw/zinc/74/01/32/1062740132.db2.gz PYXKOYRCXUTOGF-CQSZACIVSA-N 1 0 302.374 4.388 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC001460372276 1062817388 /nfs/dbraw/zinc/81/73/88/1062817388.db2.gz YVBINNDVXKSATQ-QGZVFWFLSA-N 1 0 302.418 4.305 20 5 DIBDRO COc1ccc(C[N@H+](C)C[C@@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001460597588 1062924833 /nfs/dbraw/zinc/92/48/33/1062924833.db2.gz INOIFBGRZIAPQH-CQSZACIVSA-N 1 0 320.433 4.252 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1(C2CC2)CCC1 ZINC001460746693 1063037704 /nfs/dbraw/zinc/03/77/04/1063037704.db2.gz BKXDXLUOKXNFSM-UHFFFAOYSA-N 1 0 315.200 4.324 20 5 DIBDRO COc1ccc(C[NH2+]C[C@@H](C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001461175605 1063311947 /nfs/dbraw/zinc/31/19/47/1063311947.db2.gz SNSOWLAVONVBBH-AWEZNQCLSA-N 1 0 320.433 4.300 20 5 DIBDRO CC(C)[NH+](CCSCc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC001473012425 1063354218 /nfs/dbraw/zinc/35/42/18/1063354218.db2.gz JBFRZPMATJJHNO-UHFFFAOYSA-N 1 0 314.426 4.086 20 5 DIBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC001473118802 1063423416 /nfs/dbraw/zinc/42/34/16/1063423416.db2.gz VNQKTGTYJXROKD-UHFFFAOYSA-N 1 0 320.433 4.266 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CC1CC1)C1CCCCC1 ZINC001473146537 1063453236 /nfs/dbraw/zinc/45/32/36/1063453236.db2.gz HGHPCYWDBXOYMR-UHFFFAOYSA-N 1 0 306.381 4.279 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCCCC3)C2)cc1F ZINC001473153242 1063456943 /nfs/dbraw/zinc/45/69/43/1063456943.db2.gz ZETRGJWHYYAZNL-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO CC[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001473169152 1063472208 /nfs/dbraw/zinc/47/22/08/1063472208.db2.gz WRMFLGAMABITIH-JTQLQIEISA-N 1 0 304.312 4.092 20 5 DIBDRO CC(C)(C)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC001461458612 1063520235 /nfs/dbraw/zinc/52/02/35/1063520235.db2.gz BKAIRQWGBRXBCT-UHFFFAOYSA-N 1 0 318.442 4.286 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCC1(F)F ZINC001461526833 1063558868 /nfs/dbraw/zinc/55/88/68/1063558868.db2.gz BGXUIAYSJNLONU-CTXBLAANSA-N 1 0 324.371 4.413 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)C1CC1 ZINC001461537080 1063565397 /nfs/dbraw/zinc/56/53/97/1063565397.db2.gz FMKYUIHZBWZNRA-SDNWHVSQSA-N 1 0 302.418 4.414 20 5 DIBDRO CCn1nccc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001461643731 1063630006 /nfs/dbraw/zinc/63/00/06/1063630006.db2.gz NHKZQTXZJHORBE-UHFFFAOYSA-N 1 0 315.420 4.499 20 5 DIBDRO Cc1c(C[NH2+]CCC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001461763573 1063703914 /nfs/dbraw/zinc/70/39/14/1063703914.db2.gz BVENMQCNECBZKQ-UHFFFAOYSA-N 1 0 310.397 4.115 20 5 DIBDRO C[C@@H](C[NH2+]Cc1cccc2cnccc21)c1ccccc1[N+](=O)[O-] ZINC001461785668 1063715693 /nfs/dbraw/zinc/71/56/93/1063715693.db2.gz CYJBCJQYIHNRGA-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC001461809772 1063728126 /nfs/dbraw/zinc/72/81/26/1063728126.db2.gz GQOSZFMHGAECGF-XXYUJHKVSA-N 1 0 324.371 4.413 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC001461809762 1063728961 /nfs/dbraw/zinc/72/89/61/1063728961.db2.gz GQOSZFMHGAECGF-RNQWEJQRSA-N 1 0 324.371 4.413 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC=CCCC1 ZINC001461811141 1063731427 /nfs/dbraw/zinc/73/14/27/1063731427.db2.gz MTJNAAVAVBOMHY-INIZCTEOSA-N 1 0 302.418 4.438 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC(F)F ZINC001333150644 1064429801 /nfs/dbraw/zinc/42/98/01/1064429801.db2.gz RWMJHEHMVXZTJO-VIFPVBQESA-N 1 0 304.362 4.013 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC2(CCC2)C1 ZINC001307431454 1065390538 /nfs/dbraw/zinc/39/05/38/1065390538.db2.gz YCILJGURQHWFQM-UHFFFAOYSA-N 1 0 302.418 4.386 20 5 DIBDRO CC[N@H+](CCc1cccs1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307432924 1065394265 /nfs/dbraw/zinc/39/42/65/1065394265.db2.gz CYGFVRCMQQBVAS-UHFFFAOYSA-N 1 0 324.833 4.374 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC001307478087 1065425209 /nfs/dbraw/zinc/42/52/09/1065425209.db2.gz ISEUSHLTDYFNAB-GJZGRUSLSA-N 1 0 320.433 4.393 20 5 DIBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001307519008 1065458323 /nfs/dbraw/zinc/45/83/23/1065458323.db2.gz JIUGZKGUZWNBEL-CZUORRHYSA-N 1 0 316.426 4.109 20 5 DIBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307548174 1065476154 /nfs/dbraw/zinc/47/61/54/1065476154.db2.gz PNIMMYJWAJOMPN-YJBOKZPZSA-N 1 0 320.433 4.264 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC001307557561 1065481759 /nfs/dbraw/zinc/48/17/59/1065481759.db2.gz FQPKKAWBKWXLQD-INIZCTEOSA-N 1 0 320.433 4.394 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001307576586 1065491383 /nfs/dbraw/zinc/49/13/83/1065491383.db2.gz YKLFXMNRRPYDHP-DZGCQCFKSA-N 1 0 308.397 4.428 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCC1=CCCCC1)C1CC1 ZINC001307596923 1065506825 /nfs/dbraw/zinc/50/68/25/1065506825.db2.gz DOKAHYTZEPPZOB-UHFFFAOYSA-N 1 0 300.402 4.450 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001307626455 1065526565 /nfs/dbraw/zinc/52/65/65/1065526565.db2.gz XGXQQNZRMQKPIG-RKDXNWHRSA-N 1 0 305.205 4.426 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H](OC)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001307634027 1065531022 /nfs/dbraw/zinc/53/10/22/1065531022.db2.gz UMVYLMWEHNTJGQ-ZWKOTPCHSA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001307641520 1065536188 /nfs/dbraw/zinc/53/61/88/1065536188.db2.gz BCTBZWSAZMFNEO-OAHLLOKOSA-N 1 0 312.413 4.359 20 5 DIBDRO Cc1ccc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)cc1[N+](=O)[O-] ZINC001307649416 1065542641 /nfs/dbraw/zinc/54/26/41/1065542641.db2.gz WZGPOUDIQQHONK-UHFFFAOYSA-N 1 0 310.397 4.197 20 5 DIBDRO CC(C)(C)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001307718903 1065583879 /nfs/dbraw/zinc/58/38/79/1065583879.db2.gz YHHXDAWHVOWKFJ-HNNXBMFYSA-N 1 0 320.433 4.122 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC001307738529 1065595333 /nfs/dbraw/zinc/59/53/33/1065595333.db2.gz JIDLQCSAHDXOHY-MRXNPFEDSA-N 1 0 320.433 4.393 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC001307738527 1065597034 /nfs/dbraw/zinc/59/70/34/1065597034.db2.gz JIDLQCSAHDXOHY-INIZCTEOSA-N 1 0 320.433 4.393 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001307743454 1065601032 /nfs/dbraw/zinc/60/10/32/1065601032.db2.gz HRJDOSOFWOIXHL-LBPRGKRZSA-N 1 0 320.339 4.374 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001307801726 1065627103 /nfs/dbraw/zinc/62/71/03/1065627103.db2.gz NDHONKAVLGKGKK-ZDUSSCGKSA-N 1 0 320.433 4.013 20 5 DIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001307853300 1065653635 /nfs/dbraw/zinc/65/36/35/1065653635.db2.gz PTSTXCTZFPDATQ-CABCVRRESA-N 1 0 320.433 4.120 20 5 DIBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC1CCC1 ZINC001308132291 1065772736 /nfs/dbraw/zinc/77/27/36/1065772736.db2.gz VLFRJZUGXFVDBR-UHFFFAOYSA-N 1 0 303.189 4.134 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc2cccnc12 ZINC001308207491 1065815475 /nfs/dbraw/zinc/81/54/75/1065815475.db2.gz ADROFVUAOWSRIX-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)cc1[N+](=O)[O-] ZINC001308252703 1065856517 /nfs/dbraw/zinc/85/65/17/1065856517.db2.gz PUSTZENBTDBVRA-GDBMZVCRSA-N 1 0 320.433 4.298 20 5 DIBDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001308294774 1065891181 /nfs/dbraw/zinc/89/11/81/1065891181.db2.gz CZKDZCYEEKUIAT-RHSMWYFYSA-N 1 0 304.434 4.332 20 5 DIBDRO CC1(C)CCC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001308347753 1065930151 /nfs/dbraw/zinc/93/01/51/1065930151.db2.gz LBIJGRPWUPZMRR-AWEZNQCLSA-N 1 0 310.825 4.349 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001308366624 1065943888 /nfs/dbraw/zinc/94/38/88/1065943888.db2.gz OGWPTTBQFLKGPH-RJSRPMINSA-N 1 0 302.418 4.412 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001308366621 1065944235 /nfs/dbraw/zinc/94/42/35/1065944235.db2.gz OGWPTTBQFLKGPH-FBPDCORNSA-N 1 0 302.418 4.412 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC001308389797 1065957681 /nfs/dbraw/zinc/95/76/81/1065957681.db2.gz JBYBROCWEZGPTN-UHFFFAOYSA-N 1 0 324.302 4.004 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC001308416549 1065972807 /nfs/dbraw/zinc/97/28/07/1065972807.db2.gz IOICNSHPYRRKGS-SFHVURJKSA-N 1 0 310.397 4.187 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2ccoc21)c1ccccc1[N+](=O)[O-] ZINC001308418806 1065975349 /nfs/dbraw/zinc/97/53/49/1065975349.db2.gz OZYYUFMFZWASAP-UHFFFAOYSA-N 1 0 310.353 4.366 20 5 DIBDRO Cc1scc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1C ZINC001308570030 1066080076 /nfs/dbraw/zinc/08/00/76/1066080076.db2.gz CBKJRDMBHREBJM-UHFFFAOYSA-N 1 0 316.426 4.438 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000903288196 1066103127 /nfs/dbraw/zinc/10/31/27/1066103127.db2.gz UOGZCACXKDEXDQ-GHMZBOCLSA-N 1 0 320.776 4.366 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(CC(C)C)CC(C)C ZINC001308638335 1066131218 /nfs/dbraw/zinc/13/12/18/1066131218.db2.gz UXLXXACYFHAHDP-UHFFFAOYSA-N 1 0 308.422 4.154 20 5 DIBDRO CC(C)=CCC[C@@H](C)CCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001308746239 1066218666 /nfs/dbraw/zinc/21/86/66/1066218666.db2.gz AHSPZZDRQHZLJX-MRXNPFEDSA-N 1 0 319.449 4.133 20 5 DIBDRO CCC1(c2ccccc2)C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001308808554 1066285111 /nfs/dbraw/zinc/28/51/11/1066285111.db2.gz GLPHXOLWFINYSJ-UHFFFAOYSA-N 1 0 310.397 4.067 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC001308837040 1066311878 /nfs/dbraw/zinc/31/18/78/1066311878.db2.gz YPRMAYTUVBJGAN-GDBMZVCRSA-N 1 0 316.788 4.142 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC001308975458 1066428289 /nfs/dbraw/zinc/42/82/89/1066428289.db2.gz UIKIEWBPVYJOTR-QKGUJMCYSA-N 1 0 314.429 4.084 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000081181389 192233706 /nfs/dbraw/zinc/23/37/06/192233706.db2.gz XUTOFMVDKLSAAF-DIFFPNOSSA-N 1 0 300.333 4.072 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000186747548 200003074 /nfs/dbraw/zinc/00/30/74/200003074.db2.gz GLDQVRRFACEDDJ-IUODEOHRSA-N 1 0 319.430 4.286 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000040518075 183090170 /nfs/dbraw/zinc/09/01/70/183090170.db2.gz UZEYSPNTDWLNIA-UWVGGRQHSA-N 1 0 305.403 4.080 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000275803582 130389280 /nfs/dbraw/zinc/38/92/80/130389280.db2.gz WWUNCCUMGFXTQV-LLVKDONJSA-N 1 0 306.312 4.383 20 5 DIBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000288568978 131330729 /nfs/dbraw/zinc/33/07/29/131330729.db2.gz BBQDUGIKWBLIKB-PHIMTYICSA-N 1 0 322.352 4.209 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000297468755 132017506 /nfs/dbraw/zinc/01/75/06/132017506.db2.gz YJQFHNCDLZBKGV-WDEREUQCSA-N 1 0 306.312 4.285 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000320519252 335070534 /nfs/dbraw/zinc/07/05/34/335070534.db2.gz OBFLEXLLGVBDLC-RTBURBONSA-N 1 0 310.397 4.411 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000570507145 332764440 /nfs/dbraw/zinc/76/44/40/332764440.db2.gz ZDQRHDUFKNJWSZ-KGLIPLIRSA-N 1 0 320.458 4.087 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000570703360 332803853 /nfs/dbraw/zinc/80/38/53/332803853.db2.gz UQPSYRSDFCOOPR-IBGZPJMESA-N 1 0 310.397 4.379 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000537948159 331535539 /nfs/dbraw/zinc/53/55/39/331535539.db2.gz ZUIWDACSCRPKLD-FZKQIMNGSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1cc2cc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000556898820 331750840 /nfs/dbraw/zinc/75/08/40/331750840.db2.gz RLCRLZGRZPHSJI-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO CC(C)C(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000558273040 331891893 /nfs/dbraw/zinc/89/18/93/331891893.db2.gz VFBJMVORDTWJES-UHFFFAOYSA-N 1 0 302.374 4.379 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000449373412 332087851 /nfs/dbraw/zinc/08/78/51/332087851.db2.gz RFJQJMWFLSNCSO-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000091959829 332097251 /nfs/dbraw/zinc/09/72/51/332097251.db2.gz WCRCLSUMSPSKAD-GFCCVEGCSA-N 1 0 304.415 4.285 20 5 DIBDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000151026023 332483525 /nfs/dbraw/zinc/48/35/25/332483525.db2.gz SNXXHCUQKICVKH-HNNXBMFYSA-N 1 0 320.433 4.232 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000170686245 332635511 /nfs/dbraw/zinc/63/55/11/332635511.db2.gz FNDWEAUBSLBEBL-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO CS[C@H]1CC[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302140097 332982739 /nfs/dbraw/zinc/98/27/39/332982739.db2.gz FDEDVUKNKGERIQ-AAEUAGOBSA-N 1 0 317.414 4.147 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178665708 333018169 /nfs/dbraw/zinc/01/81/69/333018169.db2.gz VYELCXGBZGHPBH-LLVKDONJSA-N 1 0 306.312 4.383 20 5 DIBDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000390720714 333320191 /nfs/dbraw/zinc/32/01/91/333320191.db2.gz LMDMQQVVMZFCCZ-HNNXBMFYSA-N 1 0 312.413 4.441 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000182815685 333355913 /nfs/dbraw/zinc/35/59/13/333355913.db2.gz UVNSGGIFVOKMMY-NSHDSACASA-N 1 0 316.323 4.239 20 5 DIBDRO COc1cccc(Cl)c1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000185902516 333371707 /nfs/dbraw/zinc/37/17/07/333371707.db2.gz RJZOMDKNGPSESX-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000526063105 333384515 /nfs/dbraw/zinc/38/45/15/333384515.db2.gz WHGHYGDXZHBNPF-LJQBUTKESA-N 1 0 323.396 4.230 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000122042409 333390908 /nfs/dbraw/zinc/39/09/08/333390908.db2.gz FWCAEDUXYSEFJH-DYVFJYSZSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000390856941 333400114 /nfs/dbraw/zinc/40/01/14/333400114.db2.gz ADDPHCGHHQDQNK-ZIAGYGMSSA-N 1 0 310.397 4.495 20 5 DIBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000533962261 333421321 /nfs/dbraw/zinc/42/13/21/333421321.db2.gz JTBQKJXNMKQMTQ-KRWDZBQOSA-N 1 0 302.349 4.017 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000061328347 333427608 /nfs/dbraw/zinc/42/76/08/333427608.db2.gz CMSRWEXAIILQJN-IAQYHMDHSA-N 1 0 302.399 4.385 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1cccc([N+](=O)[O-])c1 ZINC000338021510 333467636 /nfs/dbraw/zinc/46/76/36/333467636.db2.gz PSWAAPBKYQIRPU-YVEFUNNKSA-N 1 0 317.364 4.321 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000320292374 333499091 /nfs/dbraw/zinc/49/90/91/333499091.db2.gz QJHNKXAEYMSGFF-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414235688 333917381 /nfs/dbraw/zinc/91/73/81/333917381.db2.gz UNOCELULIWVWTG-CYBMUJFWSA-N 1 0 313.401 4.138 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000414260691 333929099 /nfs/dbraw/zinc/92/90/99/333929099.db2.gz GNCFZKASUAEXEB-ONGXEEELSA-N 1 0 304.312 4.142 20 5 DIBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000414277479 333932287 /nfs/dbraw/zinc/93/22/87/333932287.db2.gz ZKMMSQJDGGTRDW-QMTHXVAHSA-N 1 0 316.323 4.150 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000268783043 333994248 /nfs/dbraw/zinc/99/42/48/333994248.db2.gz JFXJOZBRTDLGJZ-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CC(F)(F)F ZINC000414517697 334005086 /nfs/dbraw/zinc/00/50/86/334005086.db2.gz RCGYRURTNCZJPW-HUMZTAOYSA-N 1 0 316.323 4.176 20 5 DIBDRO C[NH2+]Cc1ccccc1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414858410 334131895 /nfs/dbraw/zinc/13/18/95/334131895.db2.gz IZRBRQITAGFQAX-UHFFFAOYSA-N 1 0 313.401 4.050 20 5 DIBDRO Cc1ccc2cc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2n1 ZINC000187640853 334266352 /nfs/dbraw/zinc/26/63/52/334266352.db2.gz UYTHOQHGIHJKLJ-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000048548651 334289626 /nfs/dbraw/zinc/28/96/26/334289626.db2.gz SPETYEAUPUXTIA-LBPRGKRZSA-N 1 0 304.415 4.166 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000531949066 334303317 /nfs/dbraw/zinc/30/33/17/334303317.db2.gz ADNMRFYUTZGTCB-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000101596427 334336176 /nfs/dbraw/zinc/33/61/76/334336176.db2.gz YVIVIVJTUZEZMF-UHFFFAOYSA-N 1 0 316.788 4.417 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000535064610 334362281 /nfs/dbraw/zinc/36/22/81/334362281.db2.gz UCJHSNBBLWHVPV-GFCCVEGCSA-N 1 0 318.417 4.080 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccnc1 ZINC000342078492 334507504 /nfs/dbraw/zinc/50/75/04/334507504.db2.gz RSTJUGAHONJWNU-CYBMUJFWSA-N 1 0 323.352 4.101 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3ccccc3s2)cc1 ZINC000532076938 334720927 /nfs/dbraw/zinc/72/09/27/334720927.db2.gz PWSACKLRRMQRNR-UHFFFAOYSA-N 1 0 312.394 4.142 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000051627519 335756322 /nfs/dbraw/zinc/75/63/22/335756322.db2.gz YFNQKHREFODJNI-MRXNPFEDSA-N 1 0 304.777 4.489 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccco3)s2)cc1 ZINC000102419387 335899876 /nfs/dbraw/zinc/89/98/76/335899876.db2.gz IUALZBDOATZQMD-UHFFFAOYSA-N 1 0 314.366 4.206 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192543773 336073531 /nfs/dbraw/zinc/07/35/31/336073531.db2.gz HLJTVVZXXCVJIC-UONOGXRCSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000532442622 336247676 /nfs/dbraw/zinc/24/76/76/336247676.db2.gz WNWRUDLVDLEPSA-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000532485274 336251716 /nfs/dbraw/zinc/25/17/16/336251716.db2.gz HDGDUJWOBWHMIB-QGZVFWFLSA-N 1 0 320.339 4.156 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cl)s1)CCC2 ZINC000192751482 336260502 /nfs/dbraw/zinc/26/05/02/336260502.db2.gz ISRBYSLDZAUCEQ-AWEZNQCLSA-N 1 0 322.817 4.477 20 5 DIBDRO Cc1c(CNc2cc[nH+]c3cc(F)ccc23)cccc1[N+](=O)[O-] ZINC000302700208 336365592 /nfs/dbraw/zinc/36/55/92/336365592.db2.gz HUCDXUZTQLGGDU-UHFFFAOYSA-N 1 0 311.316 4.203 20 5 DIBDRO Cc1c(C[NH2+]Cc2ccc(C(F)F)cc2)cccc1[N+](=O)[O-] ZINC000389498540 336396534 /nfs/dbraw/zinc/39/65/34/336396534.db2.gz VBTLPLWFMZUABF-UHFFFAOYSA-N 1 0 306.312 4.131 20 5 DIBDRO CCO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000193432482 336896976 /nfs/dbraw/zinc/89/69/76/336896976.db2.gz PBLNRNZRBWSEJC-KDOFPFPSSA-N 1 0 314.385 4.023 20 5 DIBDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000193701088 337079141 /nfs/dbraw/zinc/07/91/41/337079141.db2.gz PYITYOLNONVSBN-CQSZACIVSA-N 1 0 314.385 4.234 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](F)C3)s2)cc1 ZINC000582598057 337111582 /nfs/dbraw/zinc/11/15/82/337111582.db2.gz LTNIXWZSESLSPI-CHWSQXEVSA-N 1 0 320.389 4.304 20 5 DIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000583170312 337250631 /nfs/dbraw/zinc/25/06/31/337250631.db2.gz UATNNXCRPYZWGG-KRWDZBQOSA-N 1 0 314.385 4.187 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000186924957 337260513 /nfs/dbraw/zinc/26/05/13/337260513.db2.gz RDVFXPUKQKYIIO-UHFFFAOYSA-N 1 0 302.399 4.036 20 5 DIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189374258 337279147 /nfs/dbraw/zinc/27/91/47/337279147.db2.gz FXQURSQHJPAXBB-CXAGYDPISA-N 1 0 312.369 4.078 20 5 DIBDRO CCCC[C@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000584439056 337325662 /nfs/dbraw/zinc/32/56/62/337325662.db2.gz AKSCHXDGHHXPSB-ZDUSSCGKSA-N 1 0 317.389 4.260 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(C(F)F)CC1 ZINC000419791320 337492264 /nfs/dbraw/zinc/49/22/64/337492264.db2.gz WAGBYJBLWSAKSM-XFXZXTDPSA-N 1 0 324.371 4.412 20 5 DIBDRO CCOCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000161879594 337598413 /nfs/dbraw/zinc/59/84/13/337598413.db2.gz FQPDOUBAKHTUJP-LBPRGKRZSA-N 1 0 320.414 4.010 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000289281164 337602641 /nfs/dbraw/zinc/60/26/41/337602641.db2.gz QDWWDBAIKRXRPS-SFHVURJKSA-N 1 0 321.380 4.243 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421893227 337659423 /nfs/dbraw/zinc/65/94/23/337659423.db2.gz WWTZKSBPDLBRBB-UKRRQHHQSA-N 1 0 320.458 4.087 20 5 DIBDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000118840354 337851942 /nfs/dbraw/zinc/85/19/42/337851942.db2.gz SJVLPDCUYKJJTK-YOEHRIQHSA-N 1 0 313.401 4.346 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000122051528 337907143 /nfs/dbraw/zinc/90/71/43/337907143.db2.gz ORDFSIUQHFYJJG-HZPDHXFCSA-N 1 0 308.447 4.311 20 5 DIBDRO CCOCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000122472405 337919528 /nfs/dbraw/zinc/91/95/28/337919528.db2.gz OYAFSURBYKLGSP-OAHLLOKOSA-N 1 0 320.433 4.232 20 5 DIBDRO CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061003245 337924199 /nfs/dbraw/zinc/92/41/99/337924199.db2.gz AVCJLGULAVYBRJ-UHFFFAOYSA-N 1 0 306.749 4.150 20 5 DIBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000515226652 337982532 /nfs/dbraw/zinc/98/25/32/337982532.db2.gz LPWMYQXBXKUYMR-RNZFLTOJSA-N 1 0 318.323 4.237 20 5 DIBDRO COC1CCC(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000515294508 337984521 /nfs/dbraw/zinc/98/45/21/337984521.db2.gz SKPKAQLBFIKSPB-UQPPLGOBSA-N 1 0 320.433 4.149 20 5 DIBDRO C[C@@H](c1ccco1)N(Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000086234715 338013497 /nfs/dbraw/zinc/01/34/97/338013497.db2.gz LUOGZKHWEUBCRF-NSHDSACASA-N 1 0 304.321 4.053 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)o2)cc1 ZINC000428456511 338052802 /nfs/dbraw/zinc/05/28/02/338052802.db2.gz FMVHRDJGGJSLPX-SUMWQHHRSA-N 1 0 312.369 4.229 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)o1 ZINC000428465893 338053521 /nfs/dbraw/zinc/05/35/21/338053521.db2.gz YBTGCLYUHLOWLT-CJNGLKHVSA-N 1 0 312.369 4.229 20 5 DIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000429671208 338086962 /nfs/dbraw/zinc/08/69/62/338086962.db2.gz MVENVJZATLMSNT-GDBMZVCRSA-N 1 0 308.447 4.057 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000430007467 338093274 /nfs/dbraw/zinc/09/32/74/338093274.db2.gz RNXHZAQSYCZMNB-ZDUSSCGKSA-N 1 0 312.360 4.243 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000430193780 338100590 /nfs/dbraw/zinc/10/05/90/338100590.db2.gz AVUHPPKDMMQQOZ-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000430741346 338113079 /nfs/dbraw/zinc/11/30/79/338113079.db2.gz ISUZWNXETBKLHK-IUODEOHRSA-N 1 0 312.360 4.461 20 5 DIBDRO CSCCCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433241309 338187521 /nfs/dbraw/zinc/18/75/21/338187521.db2.gz OJYMHKGPLWJSJA-INIZCTEOSA-N 1 0 322.474 4.440 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000435664129 338244549 /nfs/dbraw/zinc/24/45/49/338244549.db2.gz QIHHXSDXDZDORE-NUTKFTJISA-N 1 0 314.360 4.331 20 5 DIBDRO CSc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000436284302 338265888 /nfs/dbraw/zinc/26/58/88/338265888.db2.gz MZRKJBXQCPKYSQ-ZDUSSCGKSA-N 1 0 316.426 4.210 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000437099226 338300754 /nfs/dbraw/zinc/30/07/54/338300754.db2.gz QKNLIOHXRGUWAK-MFKMUULPSA-N 1 0 304.312 4.222 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000437113340 338301648 /nfs/dbraw/zinc/30/16/48/338301648.db2.gz WRGKMDXPGFNTFQ-GXFFZTMASA-N 1 0 304.312 4.222 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCF)cc1 ZINC000437253630 338304804 /nfs/dbraw/zinc/30/48/04/338304804.db2.gz APJNHRKQLJKZAN-UHFFFAOYSA-N 1 0 324.739 4.100 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000442870202 338436665 /nfs/dbraw/zinc/43/66/65/338436665.db2.gz FWBILVUNFKEAMJ-DCBWTQNWSA-N 1 0 312.360 4.378 20 5 DIBDRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449163032 338598242 /nfs/dbraw/zinc/59/82/42/338598242.db2.gz UTEAQQVBVXHKME-QWHCGFSZSA-N 1 0 318.442 4.117 20 5 DIBDRO COc1ccc([C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000449349574 338616251 /nfs/dbraw/zinc/61/62/51/338616251.db2.gz RDERAVTUJPBRJT-KBPBESRZSA-N 1 0 314.385 4.058 20 5 DIBDRO Cc1cccc(Cl)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450680149 338698477 /nfs/dbraw/zinc/69/84/77/338698477.db2.gz YCFLXKIJJXCUQJ-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000451101020 338721116 /nfs/dbraw/zinc/72/11/16/338721116.db2.gz ABQUAUUSZGCOMG-KBXCAEBGSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000451164268 338723891 /nfs/dbraw/zinc/72/38/91/338723891.db2.gz SFBREESZSUGIQY-QWHCGFSZSA-N 1 0 302.349 4.454 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163361918 338732182 /nfs/dbraw/zinc/73/21/82/338732182.db2.gz FPXFCUWYIFUMMC-MNOVXSKESA-N 1 0 304.312 4.367 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000453315588 338823350 /nfs/dbraw/zinc/82/33/50/338823350.db2.gz GQXWGSQISMSKNJ-HDMKZQKVSA-N 1 0 320.433 4.005 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(C2CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000459563844 339036083 /nfs/dbraw/zinc/03/60/83/339036083.db2.gz VVKPEJBDVZKWEW-UHFFFAOYSA-N 1 0 310.397 4.497 20 5 DIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000459642782 339039880 /nfs/dbraw/zinc/03/98/80/339039880.db2.gz NSVULWATRGVKNS-HUUCEWRRSA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000462542540 339080901 /nfs/dbraw/zinc/08/09/01/339080901.db2.gz NDZULZWYQYCTKV-LIRRHRJNSA-N 1 0 310.397 4.398 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000462733360 339085496 /nfs/dbraw/zinc/08/54/96/339085496.db2.gz HVWVOXUGKZEQHD-OFQRWUPVSA-N 1 0 318.417 4.052 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CC3)s2)cc1 ZINC000462741420 339086316 /nfs/dbraw/zinc/08/63/16/339086316.db2.gz MDMFFQJZOKJIFO-UHFFFAOYSA-N 1 0 302.399 4.213 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCCF)s1 ZINC000462875617 339095670 /nfs/dbraw/zinc/09/56/70/339095670.db2.gz RUJNTWJUJFPTPO-UHFFFAOYSA-N 1 0 308.378 4.163 20 5 DIBDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)o1 ZINC000464831849 339155800 /nfs/dbraw/zinc/15/58/00/339155800.db2.gz KTOXWDJOLJLXIG-GUYCJALGSA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000464836430 339156443 /nfs/dbraw/zinc/15/64/43/339156443.db2.gz RWNIUTLYLCAHQN-CXAGYDPISA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000464849094 339157327 /nfs/dbraw/zinc/15/73/27/339157327.db2.gz DCNAXWMEQGCQTL-GUYCJALGSA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000464849093 339157462 /nfs/dbraw/zinc/15/74/62/339157462.db2.gz DCNAXWMEQGCQTL-DYVFJYSZSA-N 1 0 314.385 4.469 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)c(Cl)c1 ZINC000466464766 339206087 /nfs/dbraw/zinc/20/60/87/339206087.db2.gz NIOWODQFXWIDFA-UHFFFAOYSA-N 1 0 315.760 4.019 20 5 DIBDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467840404 339247416 /nfs/dbraw/zinc/24/74/16/339247416.db2.gz REGJQSITYUOXJX-CYBMUJFWSA-N 1 0 314.360 4.116 20 5 DIBDRO C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467845820 339247530 /nfs/dbraw/zinc/24/75/30/339247530.db2.gz GYQMVZQQXVOEJF-AWEZNQCLSA-N 1 0 314.385 4.103 20 5 DIBDRO Cc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000467851220 339247615 /nfs/dbraw/zinc/24/76/15/339247615.db2.gz BLEKMGDQAVXKHV-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000467851216 339247692 /nfs/dbraw/zinc/24/76/92/339247692.db2.gz BLEKMGDQAVXKHV-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000467862418 339248040 /nfs/dbraw/zinc/24/80/40/339248040.db2.gz HLIWAUFDCIAKBA-TZMCWYRMSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1cccc(C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000468000782 339250833 /nfs/dbraw/zinc/25/08/33/339250833.db2.gz AFXHQBFBHXLEOR-IBGZPJMESA-N 1 0 324.424 4.057 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000468010416 339251143 /nfs/dbraw/zinc/25/11/43/339251143.db2.gz XZQZEGPMFZZULP-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000468442653 339262957 /nfs/dbraw/zinc/26/29/57/339262957.db2.gz CBOOKJPYKAMTFC-RTBURBONSA-N 1 0 310.397 4.063 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(F)(F)CC1 ZINC000468593704 339266888 /nfs/dbraw/zinc/26/68/88/339266888.db2.gz BHMSASSSOLOVQV-FMIVXFBMSA-N 1 0 310.344 4.166 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1ccccc1 ZINC000468616028 339267168 /nfs/dbraw/zinc/26/71/68/339267168.db2.gz VUVFSGVWRFFCPL-QZFKAFNDSA-N 1 0 310.397 4.391 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000468644625 339267877 /nfs/dbraw/zinc/26/78/77/339267877.db2.gz DMHUGVFOQGZBKQ-NTEUORMPSA-N 1 0 321.380 4.269 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)s1 ZINC000468645312 339267935 /nfs/dbraw/zinc/26/79/35/339267935.db2.gz MMTHELXRCQLEGA-XYOKQWHBSA-N 1 0 302.399 4.158 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000468744365 339269672 /nfs/dbraw/zinc/26/96/72/339269672.db2.gz QXCVHEHMHYSFBW-BCNIOPEESA-N 1 0 310.344 4.166 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cccc1[N+](=O)[O-] ZINC000469996791 339307441 /nfs/dbraw/zinc/30/74/41/339307441.db2.gz RFHSMLUWYHRRHS-CYBMUJFWSA-N 1 0 316.323 4.066 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000470172983 339312764 /nfs/dbraw/zinc/31/27/64/339312764.db2.gz GKTJZNGCBASIOQ-RYBIEJRYSA-N 1 0 308.381 4.445 20 5 DIBDRO CSCC[C@@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174029 339312823 /nfs/dbraw/zinc/31/28/23/339312823.db2.gz HMENDYMRGMBOQC-JWAFFJSPSA-N 1 0 308.447 4.072 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470938882 339331687 /nfs/dbraw/zinc/33/16/87/339331687.db2.gz AFMNBQQZUNKZJE-MISXGVKJSA-N 1 0 316.323 4.237 20 5 DIBDRO Cc1ccc(SC[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000472151744 339364576 /nfs/dbraw/zinc/36/45/76/339364576.db2.gz GHPDCGGWICSPOV-GFCCVEGCSA-N 1 0 322.455 4.235 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000477863555 339503264 /nfs/dbraw/zinc/50/32/64/339503264.db2.gz OYDNTGWSOIFVEY-YOEHRIQHSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)CCc2ccsc2)cccc1[N+](=O)[O-] ZINC000478499864 339516679 /nfs/dbraw/zinc/51/66/79/339516679.db2.gz LQRDFBAOVBKOHJ-LBPRGKRZSA-N 1 0 304.415 4.076 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000480083202 339558181 /nfs/dbraw/zinc/55/81/81/339558181.db2.gz PLEKGZZTPGJQSA-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488453521 339783329 /nfs/dbraw/zinc/78/33/29/339783329.db2.gz ZXFSBKZICJOTTD-WBVHZDCISA-N 1 0 322.474 4.037 20 5 DIBDRO Cc1cscc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000494464842 339950205 /nfs/dbraw/zinc/95/02/05/339950205.db2.gz LXAXTSKCNSVTDG-INIZCTEOSA-N 1 0 302.399 4.132 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000495438170 339984552 /nfs/dbraw/zinc/98/45/52/339984552.db2.gz GDTHYGQJSTWSRY-WMHRWZGDSA-N 1 0 322.408 4.219 20 5 DIBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000500227525 340053406 /nfs/dbraw/zinc/05/34/06/340053406.db2.gz KKFNQHLGIRVTQZ-KRWDZBQOSA-N 1 0 316.426 4.210 20 5 DIBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000500233853 340053705 /nfs/dbraw/zinc/05/37/05/340053705.db2.gz UXSKTULMTPZFAA-IBGZPJMESA-N 1 0 310.397 4.149 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000500357520 340055678 /nfs/dbraw/zinc/05/56/78/340055678.db2.gz KGYXFOFESGECLJ-SNVBAGLBSA-N 1 0 318.751 4.163 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC(F)(F)CC2)c(Cl)c1 ZINC000500440923 340058837 /nfs/dbraw/zinc/05/88/37/340058837.db2.gz NVCZOPSVWZBMIX-UHFFFAOYSA-N 1 0 318.751 4.163 20 5 DIBDRO C[C@H]([NH2+]CCSC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000501016269 340072432 /nfs/dbraw/zinc/07/24/32/340072432.db2.gz UEKOVKKJAHBUBR-ZDUSSCGKSA-N 1 0 308.447 4.311 20 5 DIBDRO C[N@@H+](Cc1cccc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000501782052 340088717 /nfs/dbraw/zinc/08/87/17/340088717.db2.gz OLSQAZIERYDRNJ-UHFFFAOYSA-N 1 0 306.365 4.380 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)CCC2 ZINC000502590874 340108657 /nfs/dbraw/zinc/10/86/57/340108657.db2.gz IBTNAESOWKKCCY-MLGOLLRUSA-N 1 0 324.371 4.387 20 5 DIBDRO CC(C)([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503037694 340119319 /nfs/dbraw/zinc/11/93/19/340119319.db2.gz STKDUHZSSGTVAH-CRAIPNDOSA-N 1 0 310.397 4.223 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000503862635 340135365 /nfs/dbraw/zinc/13/53/65/340135365.db2.gz YDDHZFJJASUVMG-LBPRGKRZSA-N 1 0 312.360 4.379 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccs1 ZINC000504912710 340155962 /nfs/dbraw/zinc/15/59/62/340155962.db2.gz ZUYSLLFKTRNATG-LBPRGKRZSA-N 1 0 322.455 4.317 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH+]2CCCC2)ccc1Oc1ccc(F)cc1 ZINC000505343816 340166591 /nfs/dbraw/zinc/16/65/91/340166591.db2.gz MOHCQHFMDTXDTE-UHFFFAOYSA-N 1 0 316.332 4.122 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000506116183 340186025 /nfs/dbraw/zinc/18/60/25/340186025.db2.gz RFXUUGKFQXYCMS-AWEZNQCLSA-N 1 0 302.399 4.302 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000507079431 340206659 /nfs/dbraw/zinc/20/66/59/340206659.db2.gz XCJOAYPAKGRYTN-TWVNLXSWSA-N 1 0 308.381 4.098 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000507079430 340206668 /nfs/dbraw/zinc/20/66/68/340206668.db2.gz XCJOAYPAKGRYTN-OPUMOTSWSA-N 1 0 308.381 4.098 20 5 DIBDRO CC(C)[N@H+](Cc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000507114900 340208013 /nfs/dbraw/zinc/20/80/13/340208013.db2.gz CYBILQFNMQXCKG-UHFFFAOYSA-N 1 0 302.349 4.145 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2cc[nH]c21 ZINC000507151701 340209659 /nfs/dbraw/zinc/20/96/59/340209659.db2.gz JOKYEYAPMARPIO-UHFFFAOYSA-N 1 0 323.396 4.487 20 5 DIBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000507441499 340219680 /nfs/dbraw/zinc/21/96/80/340219680.db2.gz NYGZTTHYIACGSF-GFCCVEGCSA-N 1 0 300.358 4.085 20 5 DIBDRO CC[C@@H]1C[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000507792581 340231789 /nfs/dbraw/zinc/23/17/89/340231789.db2.gz FODNXZKPFWDQOU-SJLPKXTDSA-N 1 0 320.433 4.010 20 5 DIBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000509552455 340273230 /nfs/dbraw/zinc/27/32/30/340273230.db2.gz BQISGGNLYQEEGY-AWEZNQCLSA-N 1 0 314.385 4.192 20 5 DIBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)C ZINC000510677939 340306220 /nfs/dbraw/zinc/30/62/20/340306220.db2.gz DHVIZFBSDZFMNZ-UHFFFAOYSA-N 1 0 319.430 4.196 20 5 DIBDRO COCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000510957967 340316073 /nfs/dbraw/zinc/31/60/73/340316073.db2.gz KAOOFMRXNPVUKL-CZUORRHYSA-N 1 0 308.422 4.005 20 5 DIBDRO CC[C@H]([NH2+][C@H](CCOC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000511019964 340318458 /nfs/dbraw/zinc/31/84/58/340318458.db2.gz WVEDYFFZBHOQKH-JKSUJKDBSA-N 1 0 308.422 4.087 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511060358 340319726 /nfs/dbraw/zinc/31/97/26/340319726.db2.gz RHFDAOFNTOLDBK-AWEZNQCLSA-N 1 0 312.369 4.347 20 5 DIBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511083444 340320174 /nfs/dbraw/zinc/32/01/74/340320174.db2.gz ZXBDYWBSWRPSDI-LBPRGKRZSA-N 1 0 320.339 4.109 20 5 DIBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511083443 340320198 /nfs/dbraw/zinc/32/01/98/340320198.db2.gz ZXBDYWBSWRPSDI-GFCCVEGCSA-N 1 0 320.339 4.109 20 5 DIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000303523688 340330333 /nfs/dbraw/zinc/33/03/33/340330333.db2.gz DAAPPWINWSMBCC-SFHVURJKSA-N 1 0 310.397 4.110 20 5 DIBDRO C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000511991007 340344629 /nfs/dbraw/zinc/34/46/29/340344629.db2.gz QJQKWPSQEXQXEN-ITKZLYELSA-N 1 0 318.323 4.237 20 5 DIBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513073587 340392187 /nfs/dbraw/zinc/39/21/87/340392187.db2.gz CRCGPPJUBMVDLD-BONVTDFDSA-N 1 0 320.776 4.396 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513189419 340396291 /nfs/dbraw/zinc/39/62/91/340396291.db2.gz YAMLBKKOAOGHRR-STQMWFEESA-N 1 0 324.384 4.191 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000513227134 340398404 /nfs/dbraw/zinc/39/84/04/340398404.db2.gz AYUNFQLVIRCMQK-IUODEOHRSA-N 1 0 302.399 4.239 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000089214369 340466585 /nfs/dbraw/zinc/46/65/85/340466585.db2.gz DZNUZUHZUOTFQP-SGTLLEGYSA-N 1 0 314.360 4.462 20 5 DIBDRO CC(C)CCOC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194337961 340591310 /nfs/dbraw/zinc/59/13/10/340591310.db2.gz OOYUCFIAWWDUQC-HNNXBMFYSA-N 1 0 320.433 4.183 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000230409300 340620158 /nfs/dbraw/zinc/62/01/58/340620158.db2.gz JMVZCPBRUWIUDW-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000231791861 340626139 /nfs/dbraw/zinc/62/61/39/340626139.db2.gz SIQFOPBHUVMPJN-ZWNOBZJWSA-N 1 0 304.312 4.367 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000537990687 340806045 /nfs/dbraw/zinc/80/60/45/340806045.db2.gz JYDPGIZEDQEZSE-MRXNPFEDSA-N 1 0 302.761 4.025 20 5 DIBDRO Cc1cc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000539218676 340877231 /nfs/dbraw/zinc/87/72/31/340877231.db2.gz VCYFHDOCSUZMIH-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000539365504 340882637 /nfs/dbraw/zinc/88/26/37/340882637.db2.gz XOHZBISNYJXPDU-LBPRGKRZSA-N 1 0 320.414 4.003 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000540150326 340917433 /nfs/dbraw/zinc/91/74/33/340917433.db2.gz INNOKMQUCLUNLF-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000540160281 340918882 /nfs/dbraw/zinc/91/88/82/340918882.db2.gz BSGSEODOLALJPA-GOSISDBHSA-N 1 0 314.385 4.153 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000540167743 340919929 /nfs/dbraw/zinc/91/99/29/340919929.db2.gz SENDKZZSYFVSPE-PIGZYNQJSA-N 1 0 300.333 4.072 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000540192270 340922505 /nfs/dbraw/zinc/92/25/05/340922505.db2.gz CEQFNINMKPCXHR-MRXNPFEDSA-N 1 0 316.788 4.415 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000540425343 340930900 /nfs/dbraw/zinc/93/09/00/340930900.db2.gz WMNHTUIEPNQJQE-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO CS[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542497065 341010480 /nfs/dbraw/zinc/01/04/80/341010480.db2.gz VKYBEILBQJRDSZ-CZUORRHYSA-N 1 0 324.490 4.283 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000543632891 341052359 /nfs/dbraw/zinc/05/23/59/341052359.db2.gz ZHHQIOBMAMOCDR-CYBMUJFWSA-N 1 0 300.358 4.222 20 5 DIBDRO Cc1ccc(C[NH2+][C@@]2(C)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000543748298 341056635 /nfs/dbraw/zinc/05/66/35/341056635.db2.gz RJOVHMOULHZQOU-IBGZPJMESA-N 1 0 310.397 4.245 20 5 DIBDRO C[C@@H](Cc1ccsc1)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000543986283 341065095 /nfs/dbraw/zinc/06/50/95/341065095.db2.gz OZRZLAYOXUCXAZ-ZDUSSCGKSA-N 1 0 316.426 4.252 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000544179148 341073105 /nfs/dbraw/zinc/07/31/05/341073105.db2.gz ZBLKOXVZHDHJPH-AWEZNQCLSA-N 1 0 308.447 4.094 20 5 DIBDRO CCC[C@H]([NH2+]CC[C@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000544374572 341078945 /nfs/dbraw/zinc/07/89/45/341078945.db2.gz VZJJXGLYYVIIPJ-MPGHIAIKSA-N 1 0 320.433 4.231 20 5 DIBDRO CS[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000544384370 341079509 /nfs/dbraw/zinc/07/95/09/341079509.db2.gz NOKGJDNUODPTBD-WFASDCNBSA-N 1 0 310.463 4.332 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000544608648 341088721 /nfs/dbraw/zinc/08/87/21/341088721.db2.gz UYEQJYMTKZVZJW-LBPRGKRZSA-N 1 0 320.339 4.374 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000544611147 341088835 /nfs/dbraw/zinc/08/88/35/341088835.db2.gz KRWSVDPMWIURFT-LBPRGKRZSA-N 1 0 302.399 4.084 20 5 DIBDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000544611590 341089036 /nfs/dbraw/zinc/08/90/36/341089036.db2.gz HELDGWGNPWYYPK-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1ccc([C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C2CCC2)o1 ZINC000544614956 341089201 /nfs/dbraw/zinc/08/92/01/341089201.db2.gz VEJFNHVCINEWEA-SFHVURJKSA-N 1 0 314.385 4.170 20 5 DIBDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000131849132 341112758 /nfs/dbraw/zinc/11/27/58/341112758.db2.gz KWFZLGUWYQCJDB-VXGBXAGGSA-N 1 0 320.414 4.009 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCCNc2ccccc2)cccc1[N+](=O)[O-] ZINC000132065244 341115810 /nfs/dbraw/zinc/11/58/10/341115810.db2.gz GRKMNNUOFDUYOD-OAHLLOKOSA-N 1 0 313.401 4.056 20 5 DIBDRO Cc1ccc2[nH+]ccc(N3CCc4c(cccc4[N+](=O)[O-])C3)c2c1 ZINC000545469268 341126548 /nfs/dbraw/zinc/12/65/48/341126548.db2.gz MQTJMTZHNRXLOX-UHFFFAOYSA-N 1 0 319.364 4.014 20 5 DIBDRO CC1(c2ccccc2)CC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000546699242 341179334 /nfs/dbraw/zinc/17/93/34/341179334.db2.gz UVEAPWSKFGNSJV-CLFYSBASSA-N 1 0 322.408 4.318 20 5 DIBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000237389726 341213151 /nfs/dbraw/zinc/21/31/51/341213151.db2.gz LPWMYQXBXKUYMR-FVOPLDGLSA-N 1 0 318.323 4.237 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000237744314 341219390 /nfs/dbraw/zinc/21/93/90/341219390.db2.gz RSFVVNXFLFNHOX-UHFFFAOYSA-N 1 0 314.360 4.293 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000547831496 341236080 /nfs/dbraw/zinc/23/60/80/341236080.db2.gz LEAAJBLJHPYPLP-QGTPRVQTSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000078971013 341250934 /nfs/dbraw/zinc/25/09/34/341250934.db2.gz LOQUJGSCETYEAR-QWRGUYRKSA-N 1 0 306.312 4.285 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000078991690 341251601 /nfs/dbraw/zinc/25/16/01/341251601.db2.gz HIRULDBPKOKOBP-NEPJUHHUSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000079121493 341253945 /nfs/dbraw/zinc/25/39/45/341253945.db2.gz QHSFMCYWTYXQPC-STQMWFEESA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000079121495 341253972 /nfs/dbraw/zinc/25/39/72/341253972.db2.gz QHSFMCYWTYXQPC-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000080242387 341271389 /nfs/dbraw/zinc/27/13/89/341271389.db2.gz ZHGGYRMTEOTVGZ-WCQYABFASA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000548790421 341275724 /nfs/dbraw/zinc/27/57/24/341275724.db2.gz UDYWUEQENVSSFJ-QWHCGFSZSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000549235700 341289268 /nfs/dbraw/zinc/28/92/68/341289268.db2.gz MDFGATZLPOOBDI-KKUMJFAQSA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000549235701 341289368 /nfs/dbraw/zinc/28/93/68/341289368.db2.gz MDFGATZLPOOBDI-QKPAOTATSA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000245525477 341299780 /nfs/dbraw/zinc/29/97/80/341299780.db2.gz OHSRYBMGALQJLB-NWDGAFQWSA-N 1 0 316.323 4.239 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3F)s2)cc1 ZINC000550319779 341315034 /nfs/dbraw/zinc/31/50/34/341315034.db2.gz HDNZQWZUXYYJMC-LSDHHAIUSA-N 1 0 320.389 4.304 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000552293119 341384852 /nfs/dbraw/zinc/38/48/52/341384852.db2.gz QLSYPZYREFFCER-JCNLHEQBSA-N 1 0 314.360 4.078 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000552557520 341398699 /nfs/dbraw/zinc/39/86/99/341398699.db2.gz VBYOABMKWAYFQN-QWHCGFSZSA-N 1 0 302.349 4.188 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000552580313 341399642 /nfs/dbraw/zinc/39/96/42/341399642.db2.gz ZOULSIOWPZOKSD-SCLBCKFNSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000552580314 341399666 /nfs/dbraw/zinc/39/96/66/341399666.db2.gz ZOULSIOWPZOKSD-UGSOOPFHSA-N 1 0 311.385 4.100 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2(F)CCC2)o1 ZINC000554727266 341462491 /nfs/dbraw/zinc/46/24/91/341462491.db2.gz ZXHMEVCEAPBHCR-UHFFFAOYSA-N 1 0 318.348 4.227 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266454849 341587560 /nfs/dbraw/zinc/58/75/60/341587560.db2.gz KHWNDLXLILVMAQ-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267470509 341591683 /nfs/dbraw/zinc/59/16/83/341591683.db2.gz XRWYWBDSPRLNGN-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000271608131 341623800 /nfs/dbraw/zinc/62/38/00/341623800.db2.gz BALQDXXGPOVOIJ-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2O1 ZINC000572661905 341699336 /nfs/dbraw/zinc/69/93/36/341699336.db2.gz VSDMVHNBOQEGST-CSMYWGQOSA-N 1 0 324.380 4.084 20 5 DIBDRO CC1(C)C[C@H]([NH2+]CCC2(F)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000575111936 341778313 /nfs/dbraw/zinc/77/83/13/341778313.db2.gz YKMSYRZVKRLILZ-HNNXBMFYSA-N 1 0 306.381 4.189 20 5 DIBDRO CCC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000177712814 341924798 /nfs/dbraw/zinc/92/47/98/341924798.db2.gz BJWJAJGGKUHCMM-UHFFFAOYSA-N 1 0 317.414 4.141 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000558632571 518189954 /nfs/dbraw/zinc/18/99/54/518189954.db2.gz WQRJKBHHJKKEOC-GFCCVEGCSA-N 1 0 312.360 4.379 20 5 DIBDRO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266473790 521422256 /nfs/dbraw/zinc/42/22/56/521422256.db2.gz OPKCHQKIXNTNKP-UONOGXRCSA-N 1 0 314.385 4.405 20 5 DIBDRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266473785 521422992 /nfs/dbraw/zinc/42/29/92/521422992.db2.gz OPKCHQKIXNTNKP-KBPBESRZSA-N 1 0 314.385 4.405 20 5 DIBDRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267471592 521584442 /nfs/dbraw/zinc/58/44/42/521584442.db2.gz YAISNHBOIQELRC-KGLIPLIRSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H](C)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000181630835 522859239 /nfs/dbraw/zinc/85/92/39/522859239.db2.gz MMOCDMLPHLGBGN-MEDUHNTESA-N 1 0 317.389 4.044 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180845405 522922345 /nfs/dbraw/zinc/92/23/45/522922345.db2.gz KOVCMCMKOTWZRT-MSOLQXFVSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000179991666 524386803 /nfs/dbraw/zinc/38/68/03/524386803.db2.gz HIWDLAVLFBKSPB-AWEZNQCLSA-N 1 0 313.401 4.138 20 5 DIBDRO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000179991709 524389005 /nfs/dbraw/zinc/38/90/05/524389005.db2.gz KUTVCNUBJLQHAC-CQSZACIVSA-N 1 0 313.401 4.138 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127482334 525645439 /nfs/dbraw/zinc/64/54/39/525645439.db2.gz ZQSDNRVTQKVHAX-GDBMZVCRSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1csc([C@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000186560050 526430743 /nfs/dbraw/zinc/43/07/43/526430743.db2.gz QQCIIFNHFXKORO-DGCLKSJQSA-N 1 0 319.430 4.122 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000120286422 535808650 /nfs/dbraw/zinc/80/86/50/535808650.db2.gz UDCRALCZCASCIO-CXAGYDPISA-N 1 0 314.385 4.405 20 5 DIBDRO C[N+](C)(C)CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000003176035 563323087 /nfs/dbraw/zinc/32/30/87/563323087.db2.gz ROMWALNJCQRFBE-SFHVURJKSA-N 1 0 304.841 4.152 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000120516247 1035865337 /nfs/dbraw/zinc/86/53/37/1035865337.db2.gz YNLAMLONJOWDAR-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1CCCC1 ZINC001167206761 1036274446 /nfs/dbraw/zinc/27/44/46/1036274446.db2.gz UFPNGCQOGOQRJB-UHFFFAOYSA-N 1 0 316.323 4.236 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)cs1 ZINC000610271391 1036406638 /nfs/dbraw/zinc/40/66/38/1036406638.db2.gz SJUBKBQXNHVFNF-OAHLLOKOSA-N 1 0 302.399 4.287 20 5 DIBDRO COc1ccc(C[NH+]2CCC(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000610370895 1036916284 /nfs/dbraw/zinc/91/62/84/1036916284.db2.gz VGKWREWPXGPOQU-UHFFFAOYSA-N 1 0 318.417 4.006 20 5 DIBDRO CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC001167377992 1037042591 /nfs/dbraw/zinc/04/25/91/1037042591.db2.gz XTXZEFMSDFRJLN-OAHLLOKOSA-N 1 0 320.433 4.394 20 5 DIBDRO Cc1c(C[NH2+][C@]2(C)CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000537596168 1037268248 /nfs/dbraw/zinc/26/82/48/1037268248.db2.gz XENQDHOUAVOSJT-LJQANCHMSA-N 1 0 310.397 4.245 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001167433410 1037290323 /nfs/dbraw/zinc/29/03/23/1037290323.db2.gz CSGSTIKUNJTALT-HSMVNMDESA-N 1 0 308.809 4.401 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000177861364 1037348773 /nfs/dbraw/zinc/34/87/73/1037348773.db2.gz JEDJORQLZFIIMG-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO CC(C)SCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000581328679 1037534871 /nfs/dbraw/zinc/53/48/71/1037534871.db2.gz PNCRBXKTLOKUPY-OAHLLOKOSA-N 1 0 308.447 4.048 20 5 DIBDRO Cc1c(C[NH2+]CCC(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001648911783 1037588685 /nfs/dbraw/zinc/58/86/85/1037588685.db2.gz WROSCGBKYBWYQM-UHFFFAOYSA-N 1 0 312.413 4.361 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000610511608 1037766416 /nfs/dbraw/zinc/76/64/16/1037766416.db2.gz OQPITDYSHOWCBV-GXTWGEPZSA-N 1 0 316.323 4.053 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc2cccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000610517350 1037801820 /nfs/dbraw/zinc/80/18/20/1037801820.db2.gz APCUTXJCCBRDPM-SFHVURJKSA-N 1 0 321.380 4.384 20 5 DIBDRO CC[C@@H](NCc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000610517647 1037813167 /nfs/dbraw/zinc/81/31/67/1037813167.db2.gz LDZUHVPLPBKXHW-OAHLLOKOSA-N 1 0 306.312 4.114 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC23CCC3)cc(C(F)(F)F)c1 ZINC000337402074 1037907220 /nfs/dbraw/zinc/90/72/20/1037907220.db2.gz DGCLEFUZJXSUGG-ZDUSSCGKSA-N 1 0 314.307 4.036 20 5 DIBDRO CCC[C@@H]([NH2+]CCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000126797939 1037945709 /nfs/dbraw/zinc/94/57/09/1037945709.db2.gz OEUDNZUQADOLKF-CYBMUJFWSA-N 1 0 304.312 4.368 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000178134363 1037980528 /nfs/dbraw/zinc/98/05/28/1037980528.db2.gz QVPIPZMOVIHTST-KGLIPLIRSA-N 1 0 316.405 4.092 20 5 DIBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000761250765 1037998186 /nfs/dbraw/zinc/99/81/86/1037998186.db2.gz NAJSIQJJCXUNSR-INIZCTEOSA-N 1 0 316.788 4.368 20 5 DIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)cc1[N+](=O)[O-] ZINC000060877143 1038088991 /nfs/dbraw/zinc/08/89/91/1038088991.db2.gz LNVOXQMDJKLMJI-CQSZACIVSA-N 1 0 306.406 4.004 20 5 DIBDRO CCCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000598634450 1038141752 /nfs/dbraw/zinc/14/17/52/1038141752.db2.gz FWFNYYHPDYJBRO-UHFFFAOYSA-N 1 0 304.415 4.207 20 5 DIBDRO CC(C)([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000175984326 1038145132 /nfs/dbraw/zinc/14/51/32/1038145132.db2.gz ZNAHZDFUQBHMDT-UHFFFAOYSA-N 1 0 324.302 4.037 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C2CC2)cc1 ZINC000061003418 1038157402 /nfs/dbraw/zinc/15/74/02/1038157402.db2.gz SDOIERUEBXADEO-UHFFFAOYSA-N 1 0 318.760 4.293 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC000061028316 1038171261 /nfs/dbraw/zinc/17/12/61/1038171261.db2.gz JNTDFXBQUCJKEF-CQSZACIVSA-N 1 0 310.397 4.324 20 5 DIBDRO CCCC[NH+](CCCC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580757 1038201102 /nfs/dbraw/zinc/20/11/02/1038201102.db2.gz FLHPARPNSAKQAB-UHFFFAOYSA-N 1 0 305.378 4.138 20 5 DIBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581735 1038203765 /nfs/dbraw/zinc/20/37/65/1038203765.db2.gz LJJMUQQUMVVHTR-RYUDHWBXSA-N 1 0 317.389 4.135 20 5 DIBDRO CCC(CC)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)C ZINC000610582899 1038205521 /nfs/dbraw/zinc/20/55/21/1038205521.db2.gz FPCUFNKNHYJQNP-UHFFFAOYSA-N 1 0 319.405 4.383 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000598994169 1038212726 /nfs/dbraw/zinc/21/27/26/1038212726.db2.gz WVTYIZZEGCUGIQ-SMTIMMHKSA-N 1 0 323.396 4.134 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000598994168 1038212919 /nfs/dbraw/zinc/21/29/19/1038212919.db2.gz WVTYIZZEGCUGIQ-IUYMFKLXSA-N 1 0 323.396 4.134 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000598996150 1038215624 /nfs/dbraw/zinc/21/56/24/1038215624.db2.gz LRNTXYKKATWOGR-KRWDZBQOSA-N 1 0 316.788 4.334 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000599036770 1038226185 /nfs/dbraw/zinc/22/61/85/1038226185.db2.gz UTJDJEDYVFMDLW-MRXNPFEDSA-N 1 0 320.751 4.164 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1F ZINC000593667453 1038229392 /nfs/dbraw/zinc/22/93/92/1038229392.db2.gz WFGUMTZYXJESQT-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599069736 1038232381 /nfs/dbraw/zinc/23/23/81/1038232381.db2.gz VIGOZDDYDFDIID-QFBILLFUSA-N 1 0 323.396 4.108 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599069722 1038232810 /nfs/dbraw/zinc/23/28/10/1038232810.db2.gz VIGOZDDYDFDIID-LPHOPBHVSA-N 1 0 323.396 4.108 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593671571 1038232862 /nfs/dbraw/zinc/23/28/62/1038232862.db2.gz KUOBRBHUXVZHCZ-UKTHLTGXSA-N 1 0 322.355 4.119 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000170919484 1038261589 /nfs/dbraw/zinc/26/15/89/1038261589.db2.gz ZKXJUMQQAQFBJZ-SFHVURJKSA-N 1 0 314.360 4.365 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000061255542 1038273913 /nfs/dbraw/zinc/27/39/13/1038273913.db2.gz APWIDUXSWMHUPQ-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC=CC3)s2)cc1 ZINC000610741215 1038286361 /nfs/dbraw/zinc/28/63/61/1038286361.db2.gz WHCRBNVKSVVBRJ-UHFFFAOYSA-N 1 0 300.383 4.132 20 5 DIBDRO CCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000603838217 1038288222 /nfs/dbraw/zinc/28/82/22/1038288222.db2.gz KLAMRPGGFDWHCD-UHFFFAOYSA-N 1 0 314.385 4.016 20 5 DIBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000603856633 1038302227 /nfs/dbraw/zinc/30/22/27/1038302227.db2.gz OTNILZZIYVMUMD-LBPRGKRZSA-N 1 0 304.777 4.441 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccn1 ZINC000610810428 1038353598 /nfs/dbraw/zinc/35/35/98/1038353598.db2.gz IEZAKFMOXLOHER-WMLDXEAASA-N 1 0 313.401 4.490 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1 ZINC000342072207 1038388116 /nfs/dbraw/zinc/38/81/16/1038388116.db2.gz CCXNXRMHCWOJQV-ZDUSSCGKSA-N 1 0 323.352 4.101 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000604561059 1038423313 /nfs/dbraw/zinc/42/33/13/1038423313.db2.gz YOQGMFGQOVOKPV-SFHVURJKSA-N 1 0 310.397 4.192 20 5 DIBDRO COCC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342288110 1038518076 /nfs/dbraw/zinc/51/80/76/1038518076.db2.gz YQDKIXZYIZPUHR-YOEHRIQHSA-N 1 0 314.385 4.023 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC(F)(F)C3)s2)cc1 ZINC000277379131 1038530358 /nfs/dbraw/zinc/53/03/58/1038530358.db2.gz CIZZPFJOUGOTKN-UHFFFAOYSA-N 1 0 324.352 4.211 20 5 DIBDRO CSCCCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000230149779 1038538649 /nfs/dbraw/zinc/53/86/49/1038538649.db2.gz GADJXEKVJSDZIQ-UHFFFAOYSA-N 1 0 316.854 4.261 20 5 DIBDRO CSCCCCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000230149521 1038538681 /nfs/dbraw/zinc/53/86/81/1038538681.db2.gz NGWKYARRFUTKKR-UHFFFAOYSA-N 1 0 316.854 4.261 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@H+](CCc2ccc(F)cc2)C2CC2)cs1 ZINC000539841650 1038592656 /nfs/dbraw/zinc/59/26/56/1038592656.db2.gz ZNFHQVDJKFTYIJ-UHFFFAOYSA-N 1 0 320.389 4.003 20 5 DIBDRO C[C@H](CCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494470430 1038604632 /nfs/dbraw/zinc/60/46/32/1038604632.db2.gz VDFSWCAQPWWLHX-SNVBAGLBSA-N 1 0 316.323 4.282 20 5 DIBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594046587 1038636286 /nfs/dbraw/zinc/63/62/86/1038636286.db2.gz WUAHEGBXBPPSLG-JTQLQIEISA-N 1 0 316.323 4.038 20 5 DIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000479552597 1038719754 /nfs/dbraw/zinc/71/97/54/1038719754.db2.gz CEPGXZTXIJQNPL-IBGZPJMESA-N 1 0 310.397 4.494 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000050443872 1038721361 /nfs/dbraw/zinc/72/13/61/1038721361.db2.gz DEQIWVQTGAHWLZ-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000608836544 1038929077 /nfs/dbraw/zinc/92/90/77/1038929077.db2.gz QWTNLEIIZNMUME-LBPRGKRZSA-N 1 0 316.426 4.459 20 5 DIBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608836380 1038929925 /nfs/dbraw/zinc/92/99/25/1038929925.db2.gz ATHFXJFIAOQZIE-VXGBXAGGSA-N 1 0 302.399 4.069 20 5 DIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])s1 ZINC000064029310 1038938965 /nfs/dbraw/zinc/93/89/65/1038938965.db2.gz DVUODPONDTUDCF-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cs1 ZINC000608977488 1038949025 /nfs/dbraw/zinc/94/90/25/1038949025.db2.gz NSAGMOGHPDRPKB-MRXNPFEDSA-N 1 0 316.426 4.426 20 5 DIBDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178703112 1039025149 /nfs/dbraw/zinc/02/51/49/1039025149.db2.gz VFSKHZFIIGUQRD-YOEHRIQHSA-N 1 0 313.401 4.346 20 5 DIBDRO CC(C)OC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000534342944 1039033089 /nfs/dbraw/zinc/03/30/89/1039033089.db2.gz RMXZSXRJEFYMAK-UHFFFAOYSA-N 1 0 320.433 4.108 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000594507603 1039066327 /nfs/dbraw/zinc/06/63/27/1039066327.db2.gz OCABZBYWRBJTOI-IAGOWNOFSA-N 1 0 314.360 4.462 20 5 DIBDRO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](C)C(C)C ZINC000089888529 1039275472 /nfs/dbraw/zinc/27/54/72/1039275472.db2.gz PFBFCVGSMHIOHP-CYBMUJFWSA-N 1 0 317.389 4.116 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000161792834 1039396214 /nfs/dbraw/zinc/39/62/14/1039396214.db2.gz BLDVNIJIHHASRZ-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC=CCC1 ZINC000540173499 1039436770 /nfs/dbraw/zinc/43/67/70/1039436770.db2.gz HEYNXBFASDXVII-ZIAGYGMSSA-N 1 0 306.431 4.164 20 5 DIBDRO Cc1ccc(SCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000540189379 1039441801 /nfs/dbraw/zinc/44/18/01/1039441801.db2.gz BWYXQQYFLRFUAG-AWEZNQCLSA-N 1 0 316.426 4.346 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000321499542 1039494029 /nfs/dbraw/zinc/49/40/29/1039494029.db2.gz ZVHFKTOLNSBPSZ-BDJLRTHQSA-N 1 0 317.389 4.392 20 5 DIBDRO CS[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000541568029 1039707393 /nfs/dbraw/zinc/70/73/93/1039707393.db2.gz ZTLDNQKTCCQCSP-DOMZBBRYSA-N 1 0 310.463 4.332 20 5 DIBDRO COC1CCC(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000541779591 1039742480 /nfs/dbraw/zinc/74/24/80/1039742480.db2.gz YOSQMDAPJGWECR-FHERZECASA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000541768240 1039742967 /nfs/dbraw/zinc/74/29/67/1039742967.db2.gz GLHDPDSZNGSTNR-YPMHNXCESA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000541768236 1039744143 /nfs/dbraw/zinc/74/41/43/1039744143.db2.gz GLHDPDSZNGSTNR-AAEUAGOBSA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000271818400 1039829788 /nfs/dbraw/zinc/82/97/88/1039829788.db2.gz RXGZXWHGSZLHEK-MFKMUULPSA-N 1 0 317.414 4.088 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](CC)c2cccs2)ccc1[N+](=O)[O-] ZINC000491598804 1039864727 /nfs/dbraw/zinc/86/47/27/1039864727.db2.gz KRZRIHFLLLTRIG-ZDUSSCGKSA-N 1 0 320.414 4.296 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000152255437 1040005962 /nfs/dbraw/zinc/00/59/62/1040005962.db2.gz ZAIWAYGRLPKGQP-LRDDRELGSA-N 1 0 300.358 4.224 20 5 DIBDRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000492936015 1040043176 /nfs/dbraw/zinc/04/31/76/1040043176.db2.gz JRLVGEVJDQUTIS-DZGCQCFKSA-N 1 0 308.447 4.182 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000235890696 1040231157 /nfs/dbraw/zinc/23/11/57/1040231157.db2.gz ABSWLODFTMNCSY-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccccc2)c2ccccc2)c1 ZINC000179975699 1040660496 /nfs/dbraw/zinc/66/04/96/1040660496.db2.gz GFVBJYSRMLUICT-FQEVSTJZSA-N 1 0 318.376 4.474 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000580862179 1040837829 /nfs/dbraw/zinc/83/78/29/1040837829.db2.gz JKFHFCNLXSIKBG-ZDUSSCGKSA-N 1 0 322.817 4.395 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC23CC3)cc(C(F)(F)F)c1 ZINC000581082666 1040841867 /nfs/dbraw/zinc/84/18/67/1040841867.db2.gz MBJOWLWAWVLIHJ-CYBMUJFWSA-N 1 0 314.307 4.036 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172974515 1040864412 /nfs/dbraw/zinc/86/44/12/1040864412.db2.gz MYBQOOGHCJHURT-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000581738082 1040870442 /nfs/dbraw/zinc/87/04/42/1040870442.db2.gz ZXKLWKDVXAOLSY-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000173361563 1040884427 /nfs/dbraw/zinc/88/44/27/1040884427.db2.gz NOPFVJMWJMOQSM-DIFFPNOSSA-N 1 0 300.333 4.072 20 5 DIBDRO CC[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414252793 1041054120 /nfs/dbraw/zinc/05/41/20/1041054120.db2.gz IYXSSSHHIBQTQC-NEPJUHHUSA-N 1 0 318.339 4.094 20 5 DIBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987285 1041289366 /nfs/dbraw/zinc/28/93/66/1041289366.db2.gz UMRMTYNVEFTRBS-QPUJVOFHSA-N 1 0 303.189 4.180 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000119085915 1041455283 /nfs/dbraw/zinc/45/52/83/1041455283.db2.gz CWBZSAOAABZULW-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811483419 1041521446 /nfs/dbraw/zinc/52/14/46/1041521446.db2.gz JCJNXRMJKVZVRK-UHFFFAOYSA-N 1 0 303.189 4.181 20 5 DIBDRO CC(C)=CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811496285 1041525030 /nfs/dbraw/zinc/52/50/30/1041525030.db2.gz XJJGKEGNHOTRKD-UHFFFAOYSA-N 1 0 303.189 4.348 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(Cl)c2)C2CC2)c1 ZINC000558046441 1041560684 /nfs/dbraw/zinc/56/06/84/1041560684.db2.gz YRBBXFYKCWSWSJ-UHFFFAOYSA-N 1 0 316.788 4.413 20 5 DIBDRO CSCCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318135 1041655157 /nfs/dbraw/zinc/65/51/57/1041655157.db2.gz YAFNMRUVGCUACQ-MRXNPFEDSA-N 1 0 308.447 4.095 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000417344479 1041661842 /nfs/dbraw/zinc/66/18/42/1041661842.db2.gz SCYMLQLGVULGKI-GUYJKWIASA-N 1 0 316.426 4.499 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1F ZINC000566476441 1041668997 /nfs/dbraw/zinc/66/89/97/1041668997.db2.gz ZFOOBFGIKHRCKW-SJKOYZFVSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCc2occc2C1 ZINC000584786901 1041673006 /nfs/dbraw/zinc/67/30/06/1041673006.db2.gz JKYHMZIHOSTBRO-CYBMUJFWSA-N 1 0 300.358 4.006 20 5 DIBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000418119221 1041728688 /nfs/dbraw/zinc/72/86/88/1041728688.db2.gz UPBFWKPZDYONNG-NSHDSACASA-N 1 0 302.399 4.385 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1F ZINC000814178495 1041780956 /nfs/dbraw/zinc/78/09/56/1041780956.db2.gz RZHFAXVIODXTRA-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO CC(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236712277 1041849870 /nfs/dbraw/zinc/84/98/70/1041849870.db2.gz BWOGKAPOHCVSNV-UHFFFAOYSA-N 1 0 304.321 4.024 20 5 DIBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000815619035 1041975522 /nfs/dbraw/zinc/97/55/22/1041975522.db2.gz AINBLPUBDUNERK-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236937212 1042418376 /nfs/dbraw/zinc/41/83/76/1042418376.db2.gz AKEYHBNQEABPCJ-VXGBXAGGSA-N 1 0 319.430 4.243 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453238495 1042419017 /nfs/dbraw/zinc/41/90/17/1042419017.db2.gz QJDUWLLKKQTOAC-SGTLLEGYSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000513631592 1042554804 /nfs/dbraw/zinc/55/48/04/1042554804.db2.gz DBLNLIJYIWCWSU-UHFFFAOYSA-N 1 0 322.364 4.453 20 5 DIBDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000072637488 1042612283 /nfs/dbraw/zinc/61/22/83/1042612283.db2.gz AAOPLANPUWQAIS-WMLDXEAASA-N 1 0 313.401 4.346 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951794 1042616805 /nfs/dbraw/zinc/61/68/05/1042616805.db2.gz RCVCNVMPUWBSCR-RYUDHWBXSA-N 1 0 316.323 4.320 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421378709 1042634484 /nfs/dbraw/zinc/63/44/84/1042634484.db2.gz VYHMKJOFKTZZEW-MRXNPFEDSA-N 1 0 320.339 4.389 20 5 DIBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000514178337 1042772570 /nfs/dbraw/zinc/77/25/70/1042772570.db2.gz LXIKFJVGEPNSJH-FQEVSTJZSA-N 1 0 324.424 4.153 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cs1 ZINC000515509316 1042823734 /nfs/dbraw/zinc/82/37/34/1042823734.db2.gz WBPRIDBWDQAOCA-OAHLLOKOSA-N 1 0 320.389 4.003 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC000515716453 1042832648 /nfs/dbraw/zinc/83/26/48/1042832648.db2.gz MARWTMMBLFGVKE-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001226203726 1042989928 /nfs/dbraw/zinc/98/99/28/1042989928.db2.gz JJWLUXQZQAWMRL-SECBINFHSA-N 1 0 321.204 4.011 20 5 DIBDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000441326804 1043037424 /nfs/dbraw/zinc/03/74/24/1043037424.db2.gz SRHHGLWNGUCZHG-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178642980 1043134180 /nfs/dbraw/zinc/13/41/80/1043134180.db2.gz YZSZITBMOQNCPE-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO COc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178654481 1043135287 /nfs/dbraw/zinc/13/52/87/1043135287.db2.gz DSAXVERDEZAWME-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000049159734 1043136018 /nfs/dbraw/zinc/13/60/18/1043136018.db2.gz IYLDWFHQIJXIKS-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000441461287 1043138792 /nfs/dbraw/zinc/13/87/92/1043138792.db2.gz FUBVXCXFHWQPGQ-DOTOQJQBSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000441487922 1043177921 /nfs/dbraw/zinc/17/79/21/1043177921.db2.gz PRQWEVQEDCUNML-IIDMSEBBSA-N 1 0 318.417 4.017 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185171976 1043196213 /nfs/dbraw/zinc/19/62/13/1043196213.db2.gz YTCUVJUEKMLBPF-UHFFFAOYSA-N 1 0 306.312 4.131 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)C(C)(F)F)cccc1[N+](=O)[O-] ZINC000866541797 1043220274 /nfs/dbraw/zinc/22/02/74/1043220274.db2.gz AQEVAUVWIKQBHB-NSHDSACASA-N 1 0 300.349 4.235 20 5 DIBDRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000186764460 1043233487 /nfs/dbraw/zinc/23/34/87/1043233487.db2.gz CVMYGWTZZQNUPG-WCQYABFASA-N 1 0 319.430 4.122 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cc2cnccc2o1 ZINC000866622435 1043239913 /nfs/dbraw/zinc/23/99/13/1043239913.db2.gz MLBVFBZGMBXDDL-IAQYHMDHSA-N 1 0 323.352 4.074 20 5 DIBDRO Cc1c(C[N@@H+](Cc2ccc(F)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000521220685 1043377350 /nfs/dbraw/zinc/37/73/50/1043377350.db2.gz DFMDSQFEZOFHPO-UHFFFAOYSA-N 1 0 316.376 4.453 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC(F)(F)F ZINC000872038885 1043431149 /nfs/dbraw/zinc/43/11/49/1043431149.db2.gz ATDOBIFAJUANBV-VIFPVBQESA-N 1 0 322.352 4.310 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000872051594 1043434795 /nfs/dbraw/zinc/43/47/95/1043434795.db2.gz LPYIDZLVRGFUIK-WDEREUQCSA-N 1 0 305.403 4.057 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000872064275 1043445521 /nfs/dbraw/zinc/44/55/21/1043445521.db2.gz XPQDEHFBHWGLNR-RKDXNWHRSA-N 1 0 322.352 4.308 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1F ZINC000283268262 1043467705 /nfs/dbraw/zinc/46/77/05/1043467705.db2.gz WLXBBEHMVOSNJN-UHFFFAOYSA-N 1 0 320.751 4.166 20 5 DIBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000521827477 1043480017 /nfs/dbraw/zinc/48/00/17/1043480017.db2.gz LHOSIELMHMWLHO-WBMJQRKESA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000873183849 1043524394 /nfs/dbraw/zinc/52/43/94/1043524394.db2.gz NGARVECTVCQSIQ-NSHDSACASA-N 1 0 322.311 4.047 20 5 DIBDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873184373 1043524713 /nfs/dbraw/zinc/52/47/13/1043524713.db2.gz NXTUZAYSIWTRRM-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000078971117 1043529806 /nfs/dbraw/zinc/52/98/06/1043529806.db2.gz RZUVPADNNTZPQH-MNOVXSKESA-N 1 0 306.312 4.285 20 5 DIBDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740837 1043586952 /nfs/dbraw/zinc/58/69/52/1043586952.db2.gz DVDVFZMAICKDAK-GFCCVEGCSA-N 1 0 320.339 4.109 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCCCC3)cs2)c1 ZINC000113312790 1043590454 /nfs/dbraw/zinc/59/04/54/1043590454.db2.gz QTPGBUUNZRZVKL-UHFFFAOYSA-N 1 0 317.414 4.141 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000353628335 1043626650 /nfs/dbraw/zinc/62/66/50/1043626650.db2.gz WWJCPVWBBNOWLR-KRWDZBQOSA-N 1 0 324.384 4.102 20 5 DIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000474796829 1043919042 /nfs/dbraw/zinc/91/90/42/1043919042.db2.gz BZBJYCQXKYEGSJ-CQSZACIVSA-N 1 0 322.474 4.039 20 5 DIBDRO CCc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000474807541 1043926835 /nfs/dbraw/zinc/92/68/35/1043926835.db2.gz CUKNAXNYMRTFDI-ZDUSSCGKSA-N 1 0 316.376 4.456 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cc3ccccc3s2)cc1 ZINC000562770356 1044155881 /nfs/dbraw/zinc/15/58/81/1044155881.db2.gz RGJLYLUSUJJTMI-UHFFFAOYSA-N 1 0 312.394 4.142 20 5 DIBDRO CCCC[C@H](COC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000522961905 1044253673 /nfs/dbraw/zinc/25/36/73/1044253673.db2.gz KZJPIYJTHMJUNN-OAHLLOKOSA-N 1 0 308.422 4.013 20 5 DIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000523006066 1044296200 /nfs/dbraw/zinc/29/62/00/1044296200.db2.gz PYUMPRFOWJJFTC-CJNGLKHVSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000523008371 1044305896 /nfs/dbraw/zinc/30/58/96/1044305896.db2.gz RCKVTTPFENUNAM-XJKSGUPXSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000523008370 1044305954 /nfs/dbraw/zinc/30/59/54/1044305954.db2.gz RCKVTTPFENUNAM-CZUORRHYSA-N 1 0 314.360 4.112 20 5 DIBDRO CC/C=C/C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001202560506 1044350767 /nfs/dbraw/zinc/35/07/67/1044350767.db2.gz JATBFIDPFPBUSS-ONEGZZNKSA-N 1 0 302.399 4.379 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000186438877 1044421721 /nfs/dbraw/zinc/42/17/21/1044421721.db2.gz LKGIUDHPRYKCJY-HNNXBMFYSA-N 1 0 324.302 4.031 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000186438900 1044422503 /nfs/dbraw/zinc/42/25/03/1044422503.db2.gz APAFYQKVVPLEAY-CQSZACIVSA-N 1 0 324.302 4.031 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000361803199 1044446379 /nfs/dbraw/zinc/44/63/79/1044446379.db2.gz DOWXOBJZRDMQND-SJORKVTESA-N 1 0 308.422 4.087 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1Cl ZINC000783592441 1044483628 /nfs/dbraw/zinc/48/36/28/1044483628.db2.gz DSIAQJZFNCTLOS-OAHLLOKOSA-N 1 0 302.761 4.025 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475545029 1044492966 /nfs/dbraw/zinc/49/29/66/1044492966.db2.gz CJTLLVHDTQBOPK-RHSMWYFYSA-N 1 0 314.360 4.160 20 5 DIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000519907437 1044528384 /nfs/dbraw/zinc/52/83/84/1044528384.db2.gz YMJHOTWIDXYTMV-LJQANCHMSA-N 1 0 310.397 4.494 20 5 DIBDRO CC(C)(C)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886052616 1044604708 /nfs/dbraw/zinc/60/47/08/1044604708.db2.gz UVYPNLBMJHLIJZ-OAHLLOKOSA-N 1 0 317.364 4.006 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000296321715 1044608320 /nfs/dbraw/zinc/60/83/20/1044608320.db2.gz GWOYFPUZFQEDIR-PBFPGSCMSA-N 1 0 312.369 4.158 20 5 DIBDRO CCC(CC)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886106781 1044615497 /nfs/dbraw/zinc/61/54/97/1044615497.db2.gz CUGRPUVBLFNBOC-QGZVFWFLSA-N 1 0 313.401 4.257 20 5 DIBDRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000296631793 1044636683 /nfs/dbraw/zinc/63/66/83/1044636683.db2.gz BKNIHLBVTDCHAD-WDEREUQCSA-N 1 0 319.430 4.334 20 5 DIBDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000523702105 1044677697 /nfs/dbraw/zinc/67/76/97/1044677697.db2.gz CBFMPPNBKZOLAK-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513325 1044740123 /nfs/dbraw/zinc/74/01/23/1044740123.db2.gz OSIZSWTUGJJUAL-LLVKDONJSA-N 1 0 319.430 4.334 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000524595049 1044881531 /nfs/dbraw/zinc/88/15/31/1044881531.db2.gz AFVLUNZJLXJAGM-DZGCQCFKSA-N 1 0 316.426 4.343 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCc3occc32)cccc1[N+](=O)[O-] ZINC000152255809 1045077453 /nfs/dbraw/zinc/07/74/53/1045077453.db2.gz GDDWHSUJSQPCSX-WFASDCNBSA-N 1 0 300.358 4.224 20 5 DIBDRO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000447082647 1045091354 /nfs/dbraw/zinc/09/13/54/1045091354.db2.gz QWTXOTBTMGLYHE-ZDUSSCGKSA-N 1 0 304.415 4.028 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CC[C@H](F)C2)c2ccccc2)c1 ZINC000577239113 1045109050 /nfs/dbraw/zinc/10/90/50/1045109050.db2.gz LXXHDARKXRNGQC-LZLYRXPVSA-N 1 0 314.360 4.164 20 5 DIBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000468386733 1045138097 /nfs/dbraw/zinc/13/80/97/1045138097.db2.gz ZBGBPPVCEXETOA-JSGCOSHPSA-N 1 0 316.401 4.477 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)cc1F)CCC2 ZINC000447539058 1045143106 /nfs/dbraw/zinc/14/31/06/1045143106.db2.gz FMERCKXGUZXHKK-QGZVFWFLSA-N 1 0 318.323 4.040 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447542696 1045143251 /nfs/dbraw/zinc/14/32/51/1045143251.db2.gz PPDDBKKNRPNDAB-UNEWFSDZSA-N 1 0 320.458 4.236 20 5 DIBDRO CC[NH+](CC)C[C@H](C)Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001228198897 1045199819 /nfs/dbraw/zinc/19/98/19/1045199819.db2.gz QSMYSSGGKPORCC-VIFPVBQESA-N 1 0 321.204 4.011 20 5 DIBDRO Cc1scc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1C ZINC000601292224 1045211369 /nfs/dbraw/zinc/21/13/69/1045211369.db2.gz MDXGZHRKHZHZKF-OAHLLOKOSA-N 1 0 302.399 4.050 20 5 DIBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000557696742 1045218733 /nfs/dbraw/zinc/21/87/33/1045218733.db2.gz WCKXEDUSKXHZCI-HIFRSBDPSA-N 1 0 317.389 4.038 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cc3ccccc3s2)cs1 ZINC000578250692 1045224550 /nfs/dbraw/zinc/22/45/50/1045224550.db2.gz QERGWPUCVIHURZ-UHFFFAOYSA-N 1 0 304.396 4.161 20 5 DIBDRO CC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000579376067 1045310467 /nfs/dbraw/zinc/31/04/67/1045310467.db2.gz FLOZCIXYHXQYPV-ZWNOBZJWSA-N 1 0 316.323 4.150 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)s1 ZINC000449068402 1045343318 /nfs/dbraw/zinc/34/33/18/1045343318.db2.gz BJTJCKBYVKBPHR-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000449346646 1045379200 /nfs/dbraw/zinc/37/92/00/1045379200.db2.gz BUUCSJBOXUJPFB-NWDGAFQWSA-N 1 0 312.360 4.459 20 5 DIBDRO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449349568 1045379843 /nfs/dbraw/zinc/37/98/43/1045379843.db2.gz QYAHHRISWMYPAE-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc(C2CC2)ccc1F ZINC000449372718 1045382976 /nfs/dbraw/zinc/38/29/76/1045382976.db2.gz LDSCIKKTZKRZDG-UHFFFAOYSA-N 1 0 314.360 4.210 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC1(F)F ZINC000449495955 1045403005 /nfs/dbraw/zinc/40/30/05/1045403005.db2.gz PAZLSNGHKKOPTF-CEFACKQISA-N 1 0 310.344 4.023 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000796620085 1045547118 /nfs/dbraw/zinc/54/71/18/1045547118.db2.gz OVSWPPPGVAUIMP-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000752094316 1045658028 /nfs/dbraw/zinc/65/80/28/1045658028.db2.gz VQCFPPITKPXYIB-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000752094306 1045658271 /nfs/dbraw/zinc/65/82/71/1045658271.db2.gz QKPXMJQOESLHIN-NSHDSACASA-N 1 0 324.833 4.373 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000451422747 1045681659 /nfs/dbraw/zinc/68/16/59/1045681659.db2.gz UNCMOQYJWYNRJM-GWCFXTLKSA-N 1 0 316.323 4.066 20 5 DIBDRO CC1(C[NH2+]Cc2c3ccccc3cc3ccccc32)OCCCO1 ZINC000752923924 1045714264 /nfs/dbraw/zinc/71/42/64/1045714264.db2.gz JJUWYEBEDOUHQA-UHFFFAOYSA-N 1 0 321.420 4.236 20 5 DIBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000801509599 1045726325 /nfs/dbraw/zinc/72/63/25/1045726325.db2.gz SMEUJIAZWDAERP-QGZVFWFLSA-N 1 0 314.360 4.379 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801515103 1045728589 /nfs/dbraw/zinc/72/85/89/1045728589.db2.gz WWAHRPVEYZGFND-HNNXBMFYSA-N 1 0 314.360 4.032 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)Cc1ccsc1 ZINC000801545316 1045735335 /nfs/dbraw/zinc/73/53/35/1045735335.db2.gz CKYDJROZBVRUOM-GFCCVEGCSA-N 1 0 322.405 4.249 20 5 DIBDRO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801551699 1045740260 /nfs/dbraw/zinc/74/02/60/1045740260.db2.gz ZIXZOSUTHDZRFI-AWEZNQCLSA-N 1 0 316.376 4.105 20 5 DIBDRO CSCCCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000753736697 1045799470 /nfs/dbraw/zinc/79/94/70/1045799470.db2.gz BSNXIJBWQFVPAC-CQSZACIVSA-N 1 0 310.463 4.477 20 5 DIBDRO Cc1ccc(C[NH2+]CCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000520214135 1045892288 /nfs/dbraw/zinc/89/22/88/1045892288.db2.gz HEDAESXXTGVYCY-UHFFFAOYSA-N 1 0 318.804 4.279 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000453070177 1045914861 /nfs/dbraw/zinc/91/48/61/1045914861.db2.gz MUZPTAGYOMIQAB-LSDHHAIUSA-N 1 0 313.401 4.052 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000828703763 1045927019 /nfs/dbraw/zinc/92/70/19/1045927019.db2.gz LOGCROGWZWAZQA-MFKMUULPSA-N 1 0 317.216 4.138 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000828703761 1045928151 /nfs/dbraw/zinc/92/81/51/1045928151.db2.gz LOGCROGWZWAZQA-GXFFZTMASA-N 1 0 317.216 4.138 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cs2)cc1[N+](=O)[O-] ZINC000193139636 1045971292 /nfs/dbraw/zinc/97/12/92/1045971292.db2.gz FGRTVHIECHZDMN-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453238492 1045998210 /nfs/dbraw/zinc/99/82/10/1045998210.db2.gz QJDUWLLKKQTOAC-KPZWWZAWSA-N 1 0 314.360 4.462 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2occc2c1 ZINC000520288497 1045999480 /nfs/dbraw/zinc/99/94/80/1045999480.db2.gz SKOBDBIJGSFVNZ-UHFFFAOYSA-N 1 0 310.353 4.016 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000453315594 1046033529 /nfs/dbraw/zinc/03/35/29/1046033529.db2.gz GQXWGSQISMSKNJ-RLFYNMQTSA-N 1 0 320.433 4.005 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1ccc([N+](=O)[O-])cc1 ZINC000830167169 1046046477 /nfs/dbraw/zinc/04/64/77/1046046477.db2.gz IEHFPJFFADIIBK-BTDLBPIBSA-N 1 0 318.323 4.211 20 5 DIBDRO Cc1ccc([C@H](C)[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000453356665 1046054983 /nfs/dbraw/zinc/05/49/83/1046054983.db2.gz LAONBXDDAGEKMZ-WMLDXEAASA-N 1 0 320.458 4.183 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)s2)cc([N+](=O)[O-])c1 ZINC000903076538 1046156907 /nfs/dbraw/zinc/15/69/07/1046156907.db2.gz RRSJKRNAMFXWKP-NEPJUHHUSA-N 1 0 320.414 4.385 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000757703300 1046202382 /nfs/dbraw/zinc/20/23/82/1046202382.db2.gz GJANBDOLFLVLHO-QGZVFWFLSA-N 1 0 324.380 4.131 20 5 DIBDRO CC(C)([NH2+]C[C@H]1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000795222306 1046206352 /nfs/dbraw/zinc/20/63/52/1046206352.db2.gz RJHPEFJURBVFRF-OAHLLOKOSA-N 1 0 310.397 4.150 20 5 DIBDRO CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245203 1046206564 /nfs/dbraw/zinc/20/65/64/1046206564.db2.gz JZQOPJTZSAYZBQ-ZIAGYGMSSA-N 1 0 313.401 4.007 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000903246374 1046207184 /nfs/dbraw/zinc/20/71/84/1046207184.db2.gz UDRSUIOTVWELLE-RYUDHWBXSA-N 1 0 319.792 4.098 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)c1ccccc1[N+](=O)[O-] ZINC000903246887 1046207602 /nfs/dbraw/zinc/20/76/02/1046207602.db2.gz YGVCPOQOURYVRC-RYUDHWBXSA-N 1 0 319.792 4.098 20 5 DIBDRO CC(C)([NH2+]Cc1cncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000795217865 1046207756 /nfs/dbraw/zinc/20/77/56/1046207756.db2.gz DSYLABUUKYYCKU-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000079723941 1046211258 /nfs/dbraw/zinc/21/12/58/1046211258.db2.gz ZGPLGFFQFRQBPO-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903286773 1046224971 /nfs/dbraw/zinc/22/49/71/1046224971.db2.gz GLBMZVFKJIMGFE-MNOVXSKESA-N 1 0 305.765 4.055 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)CCC2 ZINC000903334972 1046245280 /nfs/dbraw/zinc/24/52/80/1046245280.db2.gz JHYPCFIQMRVGRF-IEBWSBKVSA-N 1 0 323.396 4.108 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](c2ccccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000903341253 1046252740 /nfs/dbraw/zinc/25/27/40/1046252740.db2.gz WWMLBACWJTVONL-ACJLOTCBSA-N 1 0 311.385 4.100 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000127543816 1046258034 /nfs/dbraw/zinc/25/80/34/1046258034.db2.gz LXVHYYLZWWFKGJ-CABCVRRESA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903430057 1046279143 /nfs/dbraw/zinc/27/91/43/1046279143.db2.gz XJCXSUCWKMNNKL-FZKQIMNGSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](c2ccncc2)C2CC2)cccc1[N+](=O)[O-] ZINC000903430060 1046279682 /nfs/dbraw/zinc/27/96/82/1046279682.db2.gz XJMDVIDSIWQTRZ-ACJLOTCBSA-N 1 0 311.385 4.100 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000610511561 1046300226 /nfs/dbraw/zinc/30/02/26/1046300226.db2.gz FAUIILATAGTNER-JSGCOSHPSA-N 1 0 316.323 4.053 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090224727 1046350097 /nfs/dbraw/zinc/35/00/97/1046350097.db2.gz HSTDHUGQYDOATO-KRWDZBQOSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000610804637 1046372511 /nfs/dbraw/zinc/37/25/11/1046372511.db2.gz SFBREESZSUGIQY-OLZOCXBDSA-N 1 0 302.349 4.454 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccn1 ZINC000610810430 1046373751 /nfs/dbraw/zinc/37/37/51/1046373751.db2.gz IQPQGURTCHIFFO-KBXCAEBGSA-N 1 0 313.401 4.490 20 5 DIBDRO Cc1c(C[NH2+][C@@H](c2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000224106091 1046424551 /nfs/dbraw/zinc/42/45/51/1046424551.db2.gz IAWYXBUYBWUBNK-MRXNPFEDSA-N 1 0 302.399 4.206 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)CCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000897465708 1046440365 /nfs/dbraw/zinc/44/03/65/1046440365.db2.gz GWLUZMCJQWBQNJ-QWRGUYRKSA-N 1 0 304.312 4.019 20 5 DIBDRO C[N@H+](Cc1cnccn1)Cc1c2ccccc2cc2ccccc21 ZINC000092591271 1046533454 /nfs/dbraw/zinc/53/34/54/1046533454.db2.gz XXKNXBMDUKSECX-UHFFFAOYSA-N 1 0 313.404 4.415 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782543733 1046536591 /nfs/dbraw/zinc/53/65/91/1046536591.db2.gz OHCSVFOBTCRNJF-NSHDSACASA-N 1 0 324.730 4.315 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccccc3)CC2)cc1Cl ZINC000783678083 1046620969 /nfs/dbraw/zinc/62/09/69/1046620969.db2.gz CDQCJXSOJHYJTB-UHFFFAOYSA-N 1 0 316.788 4.113 20 5 DIBDRO CS[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000533103319 1046656596 /nfs/dbraw/zinc/65/65/96/1046656596.db2.gz VXCOHYAFWAZPGS-LLVKDONJSA-N 1 0 322.455 4.164 20 5 DIBDRO Cc1cccc([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000784481211 1046691119 /nfs/dbraw/zinc/69/11/19/1046691119.db2.gz LKMZDKLGHDFLOU-HNNXBMFYSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000834894885 1046705687 /nfs/dbraw/zinc/70/56/87/1046705687.db2.gz WLNLEDMPHJLCHP-GXFFZTMASA-N 1 0 317.216 4.219 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)C(C)C ZINC000302834595 1046806389 /nfs/dbraw/zinc/80/63/89/1046806389.db2.gz VRSQWUCOLWBLRJ-UHFFFAOYSA-N 1 0 314.385 4.014 20 5 DIBDRO Cc1cccc(OCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000797369562 1046828891 /nfs/dbraw/zinc/82/88/91/1046828891.db2.gz ZAYXRDHUFGWVRV-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000303236259 1046890962 /nfs/dbraw/zinc/89/09/62/1046890962.db2.gz ZVUDPXIUZGJBOZ-SFHVURJKSA-N 1 0 310.397 4.365 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C1CC1)C1CCCC1 ZINC000303296464 1046905984 /nfs/dbraw/zinc/90/59/84/1046905984.db2.gz XZLXNHYDBBFSDO-UHFFFAOYSA-N 1 0 318.417 4.289 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1Cl ZINC000798086801 1046927588 /nfs/dbraw/zinc/92/75/88/1046927588.db2.gz YTCLNOOUJSASPP-SHTZXODSSA-N 1 0 316.788 4.284 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000303738872 1046954262 /nfs/dbraw/zinc/95/42/62/1046954262.db2.gz HRAJESARHQLOHM-NVXWUHKLSA-N 1 0 310.397 4.281 20 5 DIBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000303908581 1047002264 /nfs/dbraw/zinc/00/22/64/1047002264.db2.gz UEWDDLYKYYUZBE-CYBMUJFWSA-N 1 0 318.804 4.311 20 5 DIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000303908664 1047003048 /nfs/dbraw/zinc/00/30/48/1047003048.db2.gz UFZABVZYHUXGEF-XJKSGUPXSA-N 1 0 314.360 4.112 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000799720098 1047055477 /nfs/dbraw/zinc/05/54/77/1047055477.db2.gz JJQPFJDPCCMMPN-UHFFFAOYSA-N 1 0 318.751 4.162 20 5 DIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536670974 1047062305 /nfs/dbraw/zinc/06/23/05/1047062305.db2.gz FMSUHSJXJCMBSW-BWVNKGDMSA-N 1 0 320.458 4.214 20 5 DIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536670975 1047064090 /nfs/dbraw/zinc/06/40/90/1047064090.db2.gz FMSUHSJXJCMBSW-CGMDNHBQSA-N 1 0 320.458 4.214 20 5 DIBDRO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000536676184 1047068006 /nfs/dbraw/zinc/06/80/06/1047068006.db2.gz CJIICXNEUWWONQ-UHFFFAOYSA-N 1 0 300.358 4.087 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000536873415 1047116939 /nfs/dbraw/zinc/11/69/39/1047116939.db2.gz ZYOUNLPHKSXSAU-BIENJYKASA-N 1 0 310.397 4.487 20 5 DIBDRO Cc1ccc(SCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536877033 1047118864 /nfs/dbraw/zinc/11/88/64/1047118864.db2.gz MUEXLQFGKNSOSV-CQSZACIVSA-N 1 0 316.426 4.346 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH+]1CC(C2COC2)C1 ZINC001141722499 1047275581 /nfs/dbraw/zinc/27/55/81/1047275581.db2.gz AFNGDIXQTMQZHG-UHFFFAOYSA-N 1 0 303.405 4.071 20 5 DIBDRO O[C@@H]1CCCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141722536 1047276754 /nfs/dbraw/zinc/27/67/54/1047276754.db2.gz BVZAHSLCIBPIHL-GOSISDBHSA-N 1 0 305.421 4.340 20 5 DIBDRO CN(C)[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141722948 1047277271 /nfs/dbraw/zinc/27/72/71/1047277271.db2.gz MABIPGSTNMNINB-SFHVURJKSA-N 1 0 304.437 4.129 20 5 DIBDRO CO[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1F ZINC001141723421 1047278465 /nfs/dbraw/zinc/27/84/65/1047278465.db2.gz XABDLKGBPIECOB-VQTJNVASSA-N 1 0 309.384 4.162 20 5 DIBDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141727945 1047279965 /nfs/dbraw/zinc/27/99/65/1047279965.db2.gz IVLBTHCXPBQENM-CRAIPNDOSA-N 1 0 305.421 4.338 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001141728311 1047281288 /nfs/dbraw/zinc/28/12/88/1047281288.db2.gz QEESHLFOZVMLOS-QZTJIDSGSA-N 1 0 303.405 4.356 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000725804137 1047317606 /nfs/dbraw/zinc/31/76/06/1047317606.db2.gz IXEGMGZYTSAKRD-CQSZACIVSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1[N+](=O)[O-] ZINC000725851984 1047321397 /nfs/dbraw/zinc/32/13/97/1047321397.db2.gz BVCBLJXAFZCTSB-SFHVURJKSA-N 1 0 310.397 4.461 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1[N+](=O)[O-] ZINC000725851981 1047321578 /nfs/dbraw/zinc/32/15/78/1047321578.db2.gz BVCBLJXAFZCTSB-GOSISDBHSA-N 1 0 310.397 4.461 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(C)CC1 ZINC000726605746 1047368976 /nfs/dbraw/zinc/36/89/76/1047368976.db2.gz IHJGARDJKNGGNF-GFCCVEGCSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@H]1C[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)CC[NH2+]1 ZINC000841060790 1047377195 /nfs/dbraw/zinc/37/71/95/1047377195.db2.gz BVGLXPDQYMWIKL-MAUKXSAKSA-N 1 0 304.437 4.223 20 5 DIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCC1 ZINC000537633165 1047510448 /nfs/dbraw/zinc/51/04/48/1047510448.db2.gz DRBJTAWHLQFLPE-UHFFFAOYSA-N 1 0 302.399 4.308 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C4CC4)C3)o2)cc1 ZINC000537648849 1047563215 /nfs/dbraw/zinc/56/32/15/1047563215.db2.gz MZVNOEFADQLBMB-OAHLLOKOSA-N 1 0 312.369 4.087 20 5 DIBDRO Cc1ccsc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000538114484 1047659418 /nfs/dbraw/zinc/65/94/18/1047659418.db2.gz MBDDTPDSMKYYGQ-CYBMUJFWSA-N 1 0 304.415 4.166 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000539037877 1047726576 /nfs/dbraw/zinc/72/65/76/1047726576.db2.gz POTOFLGCRFBGHA-NJAFHUGGSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000539051929 1047727380 /nfs/dbraw/zinc/72/73/80/1047727380.db2.gz PULUJLDFHZVBDA-FZKQIMNGSA-N 1 0 311.385 4.100 20 5 DIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539084606 1047733366 /nfs/dbraw/zinc/73/33/66/1047733366.db2.gz PEOUBMLDKPVPPU-CYBMUJFWSA-N 1 0 304.415 4.330 20 5 DIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000192808073 1047739869 /nfs/dbraw/zinc/73/98/69/1047739869.db2.gz XHAICKCHZRQZBU-VXGBXAGGSA-N 1 0 318.348 4.154 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000927035437 1047766179 /nfs/dbraw/zinc/76/61/79/1047766179.db2.gz GPIRTKRTLCGXMF-VXGBXAGGSA-N 1 0 324.421 4.203 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000927036510 1047767117 /nfs/dbraw/zinc/76/71/17/1047767117.db2.gz ILGAJBYTKOGEKD-JSGCOSHPSA-N 1 0 306.431 4.064 20 5 DIBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1 ZINC001159596974 1047875953 /nfs/dbraw/zinc/87/59/53/1047875953.db2.gz PCJSXBZMXTZHKN-SDNWHVSQSA-N 1 0 323.396 4.145 20 5 DIBDRO c1ccc2nc3c(cccc3Nc3ccc4c(c3)C[NH2+]C4)nc2c1 ZINC001159728159 1047910872 /nfs/dbraw/zinc/91/08/72/1047910872.db2.gz NIUQOVIVGSGSFE-UHFFFAOYSA-N 1 0 312.376 4.130 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(Nc2cccc3c2C[NH2+]C3)c1Cl ZINC001159766380 1047918839 /nfs/dbraw/zinc/91/88/39/1047918839.db2.gz JXJSWJOWPNYGSK-UHFFFAOYSA-N 1 0 324.167 4.248 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000479560751 1047932163 /nfs/dbraw/zinc/93/21/63/1047932163.db2.gz YTCFXOONRAJHIH-UHFFFAOYSA-N 1 0 312.344 4.023 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000479614506 1047941706 /nfs/dbraw/zinc/94/17/06/1047941706.db2.gz RGFHGDMTFPEQQW-INIZCTEOSA-N 1 0 316.788 4.068 20 5 DIBDRO CC1(C)C[C@]1(C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001183571112 1047944452 /nfs/dbraw/zinc/94/44/52/1047944452.db2.gz FIDTUIAZNBFMFH-SIXWZSSISA-N 1 0 316.445 4.332 20 5 DIBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000479828616 1047979887 /nfs/dbraw/zinc/97/98/87/1047979887.db2.gz FTWODHIFPVBONY-LLVKDONJSA-N 1 0 306.312 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2cccs2)C2CC2)c(F)c1 ZINC000479945280 1048010987 /nfs/dbraw/zinc/01/09/87/1048010987.db2.gz AEAJIIBJFYOLAQ-HNNXBMFYSA-N 1 0 306.362 4.036 20 5 DIBDRO Cc1cc([N+](=O)[O-])cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1F ZINC001162909162 1048386339 /nfs/dbraw/zinc/38/63/39/1048386339.db2.gz VKLHKLYRUWPRMU-LLVKDONJSA-N 1 0 313.332 4.006 20 5 DIBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001162909270 1048386873 /nfs/dbraw/zinc/38/68/73/1048386873.db2.gz LFAJGQZPBHRXKL-JTQLQIEISA-N 1 0 315.760 4.212 20 5 DIBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001175736688 1048429459 /nfs/dbraw/zinc/42/94/59/1048429459.db2.gz HWFJFDXKSIJEIT-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4ccc(F)cn4)cc3[nH+]c2c1 ZINC001175851735 1048479627 /nfs/dbraw/zinc/47/96/27/1048479627.db2.gz VMTPYTUDVYQYMA-UHFFFAOYSA-N 1 0 304.328 4.248 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000481832165 1048498360 /nfs/dbraw/zinc/49/83/60/1048498360.db2.gz NUGULJJOQWRHDJ-CABCVRRESA-N 1 0 314.360 4.160 20 5 DIBDRO CC[N@H+](CCCNc1cc(C)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001163668637 1048501533 /nfs/dbraw/zinc/50/15/33/1048501533.db2.gz NMMGPILYTLOIBG-UHFFFAOYSA-N 1 0 319.449 4.360 20 5 DIBDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001176036884 1048540375 /nfs/dbraw/zinc/54/03/75/1048540375.db2.gz PZIGQTLGVCRDIZ-WMLDXEAASA-N 1 0 310.397 4.366 20 5 DIBDRO COc1ccncc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001176123925 1048576186 /nfs/dbraw/zinc/57/61/86/1048576186.db2.gz XWBOEDBCEPWVCT-UHFFFAOYSA-N 1 0 316.364 4.117 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000850427125 1048654232 /nfs/dbraw/zinc/65/42/32/1048654232.db2.gz NERHQCIKDHLHMH-RYUDHWBXSA-N 1 0 320.414 4.385 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C(F)F ZINC000850443115 1048657634 /nfs/dbraw/zinc/65/76/34/1048657634.db2.gz AXGGBSGVPDQWNG-MRVPVSSYSA-N 1 0 306.740 4.018 20 5 DIBDRO COc1ccc(Nc2cc[nH+]c(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC001176361243 1048659461 /nfs/dbraw/zinc/65/94/61/1048659461.db2.gz UHWDCPKWOVWHDK-UHFFFAOYSA-N 1 0 301.346 4.040 20 5 DIBDRO CC(C)[NH+](CCSCc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC001165932962 1048725184 /nfs/dbraw/zinc/72/51/84/1048725184.db2.gz GXVMNTUWXYVXON-UHFFFAOYSA-N 1 0 314.426 4.086 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483098200 1048732068 /nfs/dbraw/zinc/73/20/68/1048732068.db2.gz OOTRJUQKTIODPC-CZUORRHYSA-N 1 0 314.360 4.284 20 5 DIBDRO CC[C@](C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000775386328 1048736931 /nfs/dbraw/zinc/73/69/31/1048736931.db2.gz CXDSLQBPWXJCAA-KRWDZBQOSA-N 1 0 302.349 4.149 20 5 DIBDRO CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000775388298 1048741907 /nfs/dbraw/zinc/74/19/07/1048741907.db2.gz RHJYKLVGCMUXKS-SFHVURJKSA-N 1 0 314.385 4.018 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCNc2ccccc2)cc1[N+](=O)[O-] ZINC000483190924 1048754056 /nfs/dbraw/zinc/75/40/56/1048754056.db2.gz CRKNSOLCNGGESC-OAHLLOKOSA-N 1 0 313.401 4.056 20 5 DIBDRO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001190683388 1048776993 /nfs/dbraw/zinc/77/69/93/1048776993.db2.gz WKJDSAVLQIOUOX-SFHVURJKSA-N 1 0 324.424 4.358 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CC2)C2CCCCC2)c(F)c1 ZINC001190808352 1048783204 /nfs/dbraw/zinc/78/32/04/1048783204.db2.gz ATMYXBLNVBGXBZ-UHFFFAOYSA-N 1 0 306.381 4.279 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001190855208 1048788684 /nfs/dbraw/zinc/78/86/84/1048788684.db2.gz OYUKMMMGRKBXRI-SFHVURJKSA-N 1 0 324.424 4.358 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000160898142 1048790528 /nfs/dbraw/zinc/79/05/28/1048790528.db2.gz DHIAHHNSQQWJIM-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO CC1(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811497839 1048791035 /nfs/dbraw/zinc/79/10/35/1048791035.db2.gz GATVYIVQKUZVHC-UHFFFAOYSA-N 1 0 303.189 4.181 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000775425229 1048807443 /nfs/dbraw/zinc/80/74/43/1048807443.db2.gz WCNPAIKEVOMACN-QGZVFWFLSA-N 1 0 314.360 4.365 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000851903736 1048811528 /nfs/dbraw/zinc/81/15/28/1048811528.db2.gz ZETIMLVJUPEGKG-QGZVFWFLSA-N 1 0 302.349 4.149 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC001177108979 1048832472 /nfs/dbraw/zinc/83/24/72/1048832472.db2.gz UTXJCBXGAGKODQ-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO O=c1[nH]cccc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001203307634 1048866168 /nfs/dbraw/zinc/86/61/68/1048866168.db2.gz YMXURIMIBDCNRP-UHFFFAOYSA-N 1 0 314.388 4.383 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000483842930 1048869187 /nfs/dbraw/zinc/86/91/87/1048869187.db2.gz RYRLVCAZXHVZDQ-PBHICJAKSA-N 1 0 308.422 4.005 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc2scnc2c1)c1cccc([N+](=O)[O-])c1 ZINC001177328111 1048870629 /nfs/dbraw/zinc/87/06/29/1048870629.db2.gz HUCKTXCOZMRRFC-NSHDSACASA-N 1 0 313.382 4.055 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC001177576326 1048918131 /nfs/dbraw/zinc/91/81/31/1048918131.db2.gz VVOLBHMFJOHONE-LAJUXKIGSA-N 1 0 302.418 4.414 20 5 DIBDRO C[C@H]([NH2+]Cc1cc2ccncc2s1)c1ccccc1[N+](=O)[O-] ZINC001203559062 1048928865 /nfs/dbraw/zinc/92/88/65/1048928865.db2.gz APJIHSLQDJWKPU-NSHDSACASA-N 1 0 313.382 4.055 20 5 DIBDRO CCCC1CCC(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001177733491 1048937320 /nfs/dbraw/zinc/93/73/20/1048937320.db2.gz KUQKIGCCFQYBRM-UHFFFAOYSA-N 1 0 320.433 4.300 20 5 DIBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC001177737543 1048939425 /nfs/dbraw/zinc/93/94/25/1048939425.db2.gz QAVBSQKQTBMIKA-OAHLLOKOSA-N 1 0 304.434 4.333 20 5 DIBDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000484465551 1048942598 /nfs/dbraw/zinc/94/25/98/1048942598.db2.gz HWXPGLNWEFAHRB-XNRPHZJLSA-N 1 0 308.447 4.310 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001177855341 1048954561 /nfs/dbraw/zinc/95/45/61/1048954561.db2.gz SCEHBVOVROOWPL-RXBGNRNISA-N 1 0 322.408 4.318 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@H](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC001191464884 1048955139 /nfs/dbraw/zinc/95/51/39/1048955139.db2.gz SFPPVCBEBBKADP-GFCCVEGCSA-N 1 0 304.415 4.028 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@@H]1CCc3ccccc31)CC2 ZINC001191520688 1048958530 /nfs/dbraw/zinc/95/85/30/1048958530.db2.gz JNZOBBHTKPYIJR-KRWDZBQOSA-N 1 0 322.408 4.073 20 5 DIBDRO CC[C@@H](CSC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001178365755 1049030134 /nfs/dbraw/zinc/03/01/34/1049030134.db2.gz QQSKKXFJRQMUSW-ZDUSSCGKSA-N 1 0 320.414 4.086 20 5 DIBDRO Cc1ccc(Cl)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001203934818 1049034651 /nfs/dbraw/zinc/03/46/51/1049034651.db2.gz HDQPOJXUQPJVEA-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO OCCC1CC([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC001203986868 1049052085 /nfs/dbraw/zinc/05/20/85/1049052085.db2.gz NMGCYLDLOUQFHP-UHFFFAOYSA-N 1 0 305.421 4.244 20 5 DIBDRO Cc1ccc(C[NH2+]CCCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC001178609984 1049066694 /nfs/dbraw/zinc/06/66/94/1049066694.db2.gz LUFAWNWSDUSKBK-UHFFFAOYSA-N 1 0 318.804 4.279 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC001192261325 1049069083 /nfs/dbraw/zinc/06/90/83/1049069083.db2.gz DBCXWYXXJOSJQA-GHMZBOCLSA-N 1 0 316.323 4.092 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775528507 1049107842 /nfs/dbraw/zinc/10/78/42/1049107842.db2.gz YYXDXXYPMVTBAB-VIFPVBQESA-N 1 0 324.730 4.459 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC001179002775 1049121508 /nfs/dbraw/zinc/12/15/08/1049121508.db2.gz PXVGOICXUIIAOP-BVFKNCTCSA-N 1 0 300.402 4.024 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001204584338 1049194231 /nfs/dbraw/zinc/19/42/31/1049194231.db2.gz ABEHIROHFDQOFF-UIRWJGRMSA-N 1 0 322.408 4.488 20 5 DIBDRO C/C(=C/c1ccccc1)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001193374683 1049203671 /nfs/dbraw/zinc/20/36/71/1049203671.db2.gz WITCZAXNMRHFPX-PEZBUJJGSA-N 1 0 310.397 4.173 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(Cl)c1 ZINC001193392463 1049205052 /nfs/dbraw/zinc/20/50/52/1049205052.db2.gz AVOUZPOBUACAIN-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001193448504 1049208012 /nfs/dbraw/zinc/20/80/12/1049208012.db2.gz PWWHFEUNUJTUSP-GJZGRUSLSA-N 1 0 306.406 4.004 20 5 DIBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001193459983 1049212304 /nfs/dbraw/zinc/21/23/04/1049212304.db2.gz JFFNSZZYBIAMLA-QAPCUYQASA-N 1 0 320.433 4.264 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC001204681215 1049222281 /nfs/dbraw/zinc/22/22/81/1049222281.db2.gz ITYWLQUBJOKAGV-RKCSUWQLSA-N 1 0 320.458 4.072 20 5 DIBDRO CC[C@@H](C[N@H+](CC)Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001193593169 1049230121 /nfs/dbraw/zinc/23/01/21/1049230121.db2.gz JPMDXIHWFHAKMF-HNNXBMFYSA-N 1 0 313.401 4.006 20 5 DIBDRO C[NH2+]CCN(C)Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001204720327 1049240421 /nfs/dbraw/zinc/24/04/21/1049240421.db2.gz DZKZCGCWPWVRKX-UHFFFAOYSA-N 1 0 302.421 4.235 20 5 DIBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(CC)CC ZINC001193661449 1049244911 /nfs/dbraw/zinc/24/49/11/1049244911.db2.gz HPUSQBBXEGNARA-XOKHGSTOSA-N 1 0 320.433 4.229 20 5 DIBDRO CCSCC[C@@H](C)[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001179957964 1049249989 /nfs/dbraw/zinc/24/99/89/1049249989.db2.gz UGGXSPORCFIGIH-CYBMUJFWSA-N 1 0 310.463 4.175 20 5 DIBDRO CCCC1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001194051287 1049308854 /nfs/dbraw/zinc/30/88/54/1049308854.db2.gz BDBVYTUHAIGYEI-UHFFFAOYSA-N 1 0 320.433 4.394 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCC(C)=C(C)C1 ZINC001180310251 1049330059 /nfs/dbraw/zinc/33/00/59/1049330059.db2.gz BNSNULQWRRLVRV-CABCVRRESA-N 1 0 318.417 4.218 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001180297005 1049339119 /nfs/dbraw/zinc/33/91/19/1049339119.db2.gz OHZKCTSEDGQLBK-ZLDLUXBVSA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@@H](CCC(F)(F)F)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001205007628 1049340172 /nfs/dbraw/zinc/34/01/72/1049340172.db2.gz KYAQYQQSZHQFEK-VIFPVBQESA-N 1 0 324.730 4.111 20 5 DIBDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001180348813 1049342417 /nfs/dbraw/zinc/34/24/17/1049342417.db2.gz CRZWBFBNCMILAY-CABCVRRESA-N 1 0 310.825 4.205 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000485820387 1049347797 /nfs/dbraw/zinc/34/77/97/1049347797.db2.gz WIFCJBOQRLYTFO-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000485820386 1049347933 /nfs/dbraw/zinc/34/79/33/1049347933.db2.gz WIFCJBOQRLYTFO-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1ccc(CCC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC001194262265 1049351926 /nfs/dbraw/zinc/35/19/26/1049351926.db2.gz LUOBVPSAGAUEPR-UHFFFAOYSA-N 1 0 312.413 4.010 20 5 DIBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCCC1 ZINC001205077602 1049366871 /nfs/dbraw/zinc/36/68/71/1049366871.db2.gz PSRRRNCNFQCFDK-UHFFFAOYSA-N 1 0 317.389 4.186 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC001194425159 1049372634 /nfs/dbraw/zinc/37/26/34/1049372634.db2.gz ABVQEZSFYZMEFD-CQSZACIVSA-N 1 0 300.349 4.177 20 5 DIBDRO C[C@@H](C[NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001205106217 1049380038 /nfs/dbraw/zinc/38/00/38/1049380038.db2.gz RUQBEXBUAIFNER-LBPRGKRZSA-N 1 0 303.365 4.105 20 5 DIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)(C)C ZINC001194633021 1049400994 /nfs/dbraw/zinc/40/09/94/1049400994.db2.gz LIBAXQRUSABBGZ-UHFFFAOYSA-N 1 0 318.339 4.482 20 5 DIBDRO Cc1ccc(CCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC001194683089 1049411301 /nfs/dbraw/zinc/41/13/01/1049411301.db2.gz KCNOZZUNGNCDAR-UHFFFAOYSA-N 1 0 312.413 4.361 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000775618843 1049444398 /nfs/dbraw/zinc/44/43/98/1049444398.db2.gz YMKUGLFBGXHMLT-HNNXBMFYSA-N 1 0 306.362 4.036 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000775618844 1049444438 /nfs/dbraw/zinc/44/44/38/1049444438.db2.gz YMKUGLFBGXHMLT-OAHLLOKOSA-N 1 0 306.362 4.036 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC(C)(C)C1 ZINC001205431957 1049469143 /nfs/dbraw/zinc/46/91/43/1049469143.db2.gz XNXKGYRKBUYKFE-HOCLYGCPSA-N 1 0 304.434 4.474 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC001205435013 1049469263 /nfs/dbraw/zinc/46/92/63/1049469263.db2.gz UDIUACJBBHXFNB-IUYQLWOBSA-N 1 0 302.418 4.366 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001181457692 1049478504 /nfs/dbraw/zinc/47/85/04/1049478504.db2.gz QRRDSOZYRTYAAM-MOPGFXCFSA-N 1 0 324.424 4.453 20 5 DIBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001195257756 1049502959 /nfs/dbraw/zinc/50/29/59/1049502959.db2.gz JBUCTPXUZPHHJD-KRWDZBQOSA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001205642866 1049520004 /nfs/dbraw/zinc/52/00/04/1049520004.db2.gz PIELQWXNMIYANM-HZMBPMFUSA-N 1 0 316.323 4.282 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC=CCC2)cc(C(F)(F)F)c1 ZINC000487195888 1049529166 /nfs/dbraw/zinc/52/91/66/1049529166.db2.gz XTTFSFCEWRADLG-NSHDSACASA-N 1 0 314.307 4.060 20 5 DIBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001195428430 1049531662 /nfs/dbraw/zinc/53/16/62/1049531662.db2.gz XARPSQJWWBKGKG-RDJZCZTQSA-N 1 0 302.418 4.243 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001195428424 1049531976 /nfs/dbraw/zinc/53/19/76/1049531976.db2.gz XARPSQJWWBKGKG-DOTOQJQBSA-N 1 0 302.418 4.243 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001195811077 1049573782 /nfs/dbraw/zinc/57/37/82/1049573782.db2.gz ZXXYYIUJUOFJMT-HNNXBMFYSA-N 1 0 310.397 4.065 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C1CC1)C1CCC1 ZINC001182203807 1049585909 /nfs/dbraw/zinc/58/59/09/1049585909.db2.gz MNHITEJLDOPUFM-SCLBCKFNSA-N 1 0 302.418 4.084 20 5 DIBDRO CC1(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001205881545 1049591147 /nfs/dbraw/zinc/59/11/47/1049591147.db2.gz FLIHCYIEIUQDOL-MRXNPFEDSA-N 1 0 302.418 4.355 20 5 DIBDRO CC(C)(C)SCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774240289 1049630593 /nfs/dbraw/zinc/63/05/93/1049630593.db2.gz XDMNNIQXMNQYAY-OAHLLOKOSA-N 1 0 308.447 4.094 20 5 DIBDRO CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001206055734 1049642442 /nfs/dbraw/zinc/64/24/42/1049642442.db2.gz MBSRRLLURPRULW-OLZOCXBDSA-N 1 0 317.389 4.042 20 5 DIBDRO CCOc1cc(C[N@H+]2[C@H](CC)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001196329314 1049643218 /nfs/dbraw/zinc/64/32/18/1049643218.db2.gz MCQZPCIGZKIOJJ-DZGCQCFKSA-N 1 0 306.406 4.147 20 5 DIBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC001182451994 1049656654 /nfs/dbraw/zinc/65/66/54/1049656654.db2.gz IXJHVGSROYNQNS-GMTAPVOTSA-N 1 0 316.323 4.090 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC001196490456 1049665498 /nfs/dbraw/zinc/66/54/98/1049665498.db2.gz YAIZXEHVCVJSOK-HESLUPGFSA-N 1 0 308.397 4.471 20 5 DIBDRO C/C=C/C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001196605573 1049674525 /nfs/dbraw/zinc/67/45/25/1049674525.db2.gz NJCUSZACBXIUND-IBUXWKBASA-N 1 0 308.809 4.426 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCC1CC1 ZINC001182604912 1049693429 /nfs/dbraw/zinc/69/34/29/1049693429.db2.gz NEERSPFWLNHDRB-RDJZCZTQSA-N 1 0 302.418 4.086 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000489141073 1049729189 /nfs/dbraw/zinc/72/91/89/1049729189.db2.gz RPERMJKSSPEXBF-CYBMUJFWSA-N 1 0 304.415 4.466 20 5 DIBDRO CC1(C[NH3+])CN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001206729691 1049785487 /nfs/dbraw/zinc/78/54/87/1049785487.db2.gz HETYJWVSVCLMRD-UHFFFAOYSA-N 1 0 324.855 4.427 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000490577274 1049842686 /nfs/dbraw/zinc/84/26/86/1049842686.db2.gz FYPJYABHNZUNDR-AWEZNQCLSA-N 1 0 310.397 4.324 20 5 DIBDRO CCCCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001207535892 1049906233 /nfs/dbraw/zinc/90/62/33/1049906233.db2.gz OTDPUOZGKHAYPW-JQFCIGGWSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001207684135 1049927744 /nfs/dbraw/zinc/92/77/44/1049927744.db2.gz CJUGIPYCVRSUSE-HFTRVMKXSA-N 1 0 310.397 4.092 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc(Cl)c1 ZINC000572303009 1050000084 /nfs/dbraw/zinc/00/00/84/1050000084.db2.gz WMYXRYKCJQNSAX-OAHLLOKOSA-N 1 0 302.761 4.025 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4ccncc4Cl)cc3[nH+]c2c1 ZINC001212157464 1050034743 /nfs/dbraw/zinc/03/47/43/1050034743.db2.gz MMAGBDIZGAGJSO-UHFFFAOYSA-N 1 0 320.783 4.184 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccccc2)C2CC2)c(F)c1 ZINC000590067499 1050076461 /nfs/dbraw/zinc/07/64/61/1050076461.db2.gz ILOLZKOUAZNYIK-QGZVFWFLSA-N 1 0 314.360 4.017 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC(F)(F)C1)CCCC2 ZINC000591348300 1050141944 /nfs/dbraw/zinc/14/19/44/1050141944.db2.gz OLJPRNKPQVFKHW-SWLSCSKDSA-N 1 0 310.344 4.140 20 5 DIBDRO CCc1oc2ccccc2c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000058093295 1050168063 /nfs/dbraw/zinc/16/80/63/1050168063.db2.gz ZQLLIJVDDFMIEK-UHFFFAOYSA-N 1 0 324.380 4.236 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000058093425 1050168117 /nfs/dbraw/zinc/16/81/17/1050168117.db2.gz AUJLRHPXMNLBCY-UHFFFAOYSA-N 1 0 306.365 4.080 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)cc1Cl ZINC000824544433 1050226324 /nfs/dbraw/zinc/22/63/24/1050226324.db2.gz XWIFAVQHKQKLSL-LLVKDONJSA-N 1 0 318.751 4.163 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CC=CCC1 ZINC001168401223 1050235548 /nfs/dbraw/zinc/23/55/48/1050235548.db2.gz GXYMIXLETVXQTL-OAHLLOKOSA-N 1 0 318.417 4.170 20 5 DIBDRO CC(C)n1nccc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001210520583 1050278203 /nfs/dbraw/zinc/27/82/03/1050278203.db2.gz HUIIQANKMADRAP-UHFFFAOYSA-N 1 0 317.396 4.491 20 5 DIBDRO Cc1c(C[NH2+]C2(c3ccccc3F)CCC2)cccc1[N+](=O)[O-] ZINC000592145046 1050278515 /nfs/dbraw/zinc/27/85/15/1050278515.db2.gz UHEBXWBNFVEGEI-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO Cc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CCC2)c1 ZINC000592145986 1050280132 /nfs/dbraw/zinc/28/01/32/1050280132.db2.gz HZOUTSRUOMCGPW-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H](C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000592392489 1050292534 /nfs/dbraw/zinc/29/25/34/1050292534.db2.gz XWBLFVBMMXRVMZ-BXUZGUMPSA-N 1 0 300.349 4.317 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(F)F ZINC000592372790 1050367006 /nfs/dbraw/zinc/36/70/06/1050367006.db2.gz OWFRUTXYLLYVLY-LLVKDONJSA-N 1 0 324.327 4.236 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441403 1050426980 /nfs/dbraw/zinc/42/69/80/1050426980.db2.gz MRLKCSHFHJGCIJ-WFASDCNBSA-N 1 0 310.344 4.085 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccccc1C[NH+]1CCCC1 ZINC001210952917 1050429094 /nfs/dbraw/zinc/42/90/94/1050429094.db2.gz ABRXGIZZRJGHBZ-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO Cc1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)nc1 ZINC001211012033 1050445075 /nfs/dbraw/zinc/44/50/75/1050445075.db2.gz QKZUMDFYDVEABZ-UHFFFAOYSA-N 1 0 300.365 4.417 20 5 DIBDRO C[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000844636997 1050474762 /nfs/dbraw/zinc/47/47/62/1050474762.db2.gz OHLAZQIXTUFDNF-PWSUYJOCSA-N 1 0 317.216 4.219 20 5 DIBDRO O=[N+]([O-])c1cc(Nc2ccc(C[NH+]3CCCC3)cc2)ccc1F ZINC001211192805 1050511594 /nfs/dbraw/zinc/51/15/94/1050511594.db2.gz NRLWMSYBJJHIKH-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO COc1c(C)cccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000594512614 1050526603 /nfs/dbraw/zinc/52/66/03/1050526603.db2.gz XGTVBJJFNBVWRX-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1cccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)n1 ZINC001211300916 1050540958 /nfs/dbraw/zinc/54/09/58/1050540958.db2.gz NGVFGNYEQXXNLN-UHFFFAOYSA-N 1 0 316.364 4.117 20 5 DIBDRO Cc1ccc2cc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000594943469 1050579282 /nfs/dbraw/zinc/57/92/82/1050579282.db2.gz JEPLPQHPKDEPBL-UHFFFAOYSA-N 1 0 323.396 4.409 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCCc2sccc2C1 ZINC000746666619 1050582955 /nfs/dbraw/zinc/58/29/55/1050582955.db2.gz SBNFGGCFBYVNAQ-UHFFFAOYSA-N 1 0 322.817 4.258 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000059402411 1050590868 /nfs/dbraw/zinc/59/08/68/1050590868.db2.gz PMTKRRIUFJPZJP-GOSISDBHSA-N 1 0 314.360 4.114 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000595009598 1050591671 /nfs/dbraw/zinc/59/16/71/1050591671.db2.gz YPLKPUCTHQNWAP-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000595009605 1050592711 /nfs/dbraw/zinc/59/27/11/1050592711.db2.gz YPLKPUCTHQNWAP-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000595072476 1050599311 /nfs/dbraw/zinc/59/93/11/1050599311.db2.gz KKWZQLYJXIMIQR-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000595038579 1050600749 /nfs/dbraw/zinc/60/07/49/1050600749.db2.gz LPXKAGPTVPHPSW-GHMZBOCLSA-N 1 0 306.387 4.077 20 5 DIBDRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595101644 1050608102 /nfs/dbraw/zinc/60/81/02/1050608102.db2.gz YOGSJBQQGRROMK-NUYPLMSZSA-N 1 0 310.344 4.213 20 5 DIBDRO Cc1noc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595296098 1050618938 /nfs/dbraw/zinc/61/89/38/1050618938.db2.gz IFSQFPQNMYTURN-HNNXBMFYSA-N 1 0 315.373 4.009 20 5 DIBDRO COc1ccc([C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000595413758 1050630884 /nfs/dbraw/zinc/63/08/84/1050630884.db2.gz HEOQGLOOFGOKNI-ZIAGYGMSSA-N 1 0 314.385 4.058 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000227375627 1050665300 /nfs/dbraw/zinc/66/53/00/1050665300.db2.gz RKQPNAZVXLEDMK-WCQYABFASA-N 1 0 314.838 4.012 20 5 DIBDRO CS[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000227375632 1050666017 /nfs/dbraw/zinc/66/60/17/1050666017.db2.gz RKQPNAZVXLEDMK-AAEUAGOBSA-N 1 0 314.838 4.012 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000596067123 1050686086 /nfs/dbraw/zinc/68/60/86/1050686086.db2.gz MLQUKTGDSKGSAW-UHFFFAOYSA-N 1 0 324.730 4.316 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1F ZINC000788481000 1050687011 /nfs/dbraw/zinc/68/70/11/1050687011.db2.gz NOIAKOXDJLFNRO-QGZVFWFLSA-N 1 0 304.365 4.056 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788480988 1050688075 /nfs/dbraw/zinc/68/80/75/1050688075.db2.gz NIYCTYDGXHPBOZ-INIZCTEOSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000788489846 1050690670 /nfs/dbraw/zinc/69/06/70/1050690670.db2.gz SAMKZGHLNZKYJP-CYBMUJFWSA-N 1 0 316.376 4.190 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788496701 1050692032 /nfs/dbraw/zinc/69/20/32/1050692032.db2.gz AOKNYUFQOQIGKT-WDEREUQCSA-N 1 0 319.792 4.242 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000788645883 1050716064 /nfs/dbraw/zinc/71/60/64/1050716064.db2.gz ZOTCHFSWMKUKQT-GUYCJALGSA-N 1 0 313.401 4.287 20 5 DIBDRO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788814324 1050760686 /nfs/dbraw/zinc/76/06/86/1050760686.db2.gz KZPWDDHCAULJCX-UONOGXRCSA-N 1 0 313.401 4.021 20 5 DIBDRO Cc1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC001214172162 1050838496 /nfs/dbraw/zinc/83/84/96/1050838496.db2.gz WQFQZNSJQSBSKG-UHFFFAOYSA-N 1 0 311.385 4.243 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000742379501 1050840618 /nfs/dbraw/zinc/84/06/18/1050840618.db2.gz CWLNYIGFZVJJCI-NSHDSACASA-N 1 0 322.792 4.261 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000036992534 1051105788 /nfs/dbraw/zinc/10/57/88/1051105788.db2.gz CYSGOORECKRWBB-OLZOCXBDSA-N 1 0 304.415 4.247 20 5 DIBDRO CCCCC[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305285 1051178918 /nfs/dbraw/zinc/17/89/18/1051178918.db2.gz IPEBMUWRWNHSMC-UONOGXRCSA-N 1 0 308.422 4.093 20 5 DIBDRO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC001170329576 1051185085 /nfs/dbraw/zinc/18/50/85/1051185085.db2.gz RSAOZZHVRLRILC-AWEZNQCLSA-N 1 0 320.433 4.189 20 5 DIBDRO CCC(CC)[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352822 1051187484 /nfs/dbraw/zinc/18/74/84/1051187484.db2.gz REHDHNCTSAZZOK-ZDUSSCGKSA-N 1 0 308.422 4.045 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+]CCCC2CCCC2)c([N+](=O)[O-])c1 ZINC001170306546 1051187702 /nfs/dbraw/zinc/18/77/02/1051187702.db2.gz XHSGHIIMYZPIPI-AWEZNQCLSA-N 1 0 320.433 4.094 20 5 DIBDRO Oc1cccnc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000793256238 1051273713 /nfs/dbraw/zinc/27/37/13/1051273713.db2.gz LHROHRYYFGSVAY-UHFFFAOYSA-N 1 0 314.388 4.383 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC001168957833 1051479098 /nfs/dbraw/zinc/47/90/98/1051479098.db2.gz JFKPRVWUIALASK-YZGWKJHDSA-N 1 0 324.424 4.005 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001168958054 1051479368 /nfs/dbraw/zinc/47/93/68/1051479368.db2.gz LIPMJCNMNRGUHV-HOSYDEDBSA-N 1 0 317.216 4.089 20 5 DIBDRO CC(C)CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168995644 1051485199 /nfs/dbraw/zinc/48/51/99/1051485199.db2.gz SIFDSLYUCUMYMG-KGLIPLIRSA-N 1 0 318.408 4.016 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CCC2)c2cccc(F)c2)C1 ZINC001168998429 1051485499 /nfs/dbraw/zinc/48/54/99/1051485499.db2.gz MZODKEGVOHOVBB-OLMNPRSZSA-N 1 0 320.408 4.092 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CCCCC2)C1 ZINC001168988426 1051491631 /nfs/dbraw/zinc/49/16/31/1051491631.db2.gz SDFXHGWPFJMKDH-PBHICJAKSA-N 1 0 320.408 4.020 20 5 DIBDRO CCC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC001169032499 1051491718 /nfs/dbraw/zinc/49/17/18/1051491718.db2.gz JDIVMHMPFGXRSL-UHFFFAOYSA-N 1 0 322.405 4.250 20 5 DIBDRO CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCC1 ZINC001172897366 1051548907 /nfs/dbraw/zinc/54/89/07/1051548907.db2.gz ZWLOWQHGOABUST-INIZCTEOSA-N 1 0 302.418 4.155 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172897603 1051549469 /nfs/dbraw/zinc/54/94/69/1051549469.db2.gz AZYQSPDWWRFDHF-KDOFPFPSSA-N 1 0 310.397 4.193 20 5 DIBDRO Cc1ccsc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896845 1051550307 /nfs/dbraw/zinc/55/03/07/1051550307.db2.gz SNWUNYUNUUNNEK-HNNXBMFYSA-N 1 0 316.426 4.002 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC13CCCCC3)CC2 ZINC001172902824 1051551862 /nfs/dbraw/zinc/55/18/62/1051551862.db2.gz CUWMWXYBJHWVJO-KRWDZBQOSA-N 1 0 314.429 4.251 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCc3ccccc31)CC2 ZINC001172900738 1051551986 /nfs/dbraw/zinc/55/19/86/1051551986.db2.gz ZBQZWOUERKHYJO-FXAWDEMLSA-N 1 0 322.408 4.119 20 5 DIBDRO CC(C)(CC1CCC1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903780 1051553144 /nfs/dbraw/zinc/55/31/44/1051553144.db2.gz ILOGJMNHFGLVTN-KRWDZBQOSA-N 1 0 316.445 4.401 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H]1c1ccccc1)CC2 ZINC001172922201 1051571952 /nfs/dbraw/zinc/57/19/52/1051571952.db2.gz XGGGUZOUUVWIGS-AZUAARDMSA-N 1 0 322.408 4.289 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCC13CCC3)CC2 ZINC001172909620 1051581225 /nfs/dbraw/zinc/58/12/25/1051581225.db2.gz UBKDQIYRSQZPDQ-WMZOPIPTSA-N 1 0 314.429 4.155 20 5 DIBDRO Cc1cc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c(C)c1 ZINC000761522942 1051585001 /nfs/dbraw/zinc/58/50/01/1051585001.db2.gz NZIHNXILOIVNLJ-UHFFFAOYSA-N 1 0 318.804 4.463 20 5 DIBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761513789 1051585283 /nfs/dbraw/zinc/58/52/83/1051585283.db2.gz GBEJZNCXXRVKNW-LLVKDONJSA-N 1 0 316.854 4.212 20 5 DIBDRO Cc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000761511663 1051585898 /nfs/dbraw/zinc/58/58/98/1051585898.db2.gz NJJKBKCGDBFSFZ-UHFFFAOYSA-N 1 0 310.806 4.250 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1Cl ZINC000761527274 1051589654 /nfs/dbraw/zinc/58/96/54/1051589654.db2.gz RESPYDHBCJWZFO-UHFFFAOYSA-N 1 0 320.751 4.166 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001169364179 1051590182 /nfs/dbraw/zinc/59/01/82/1051590182.db2.gz CHMALBLKSJFMLJ-WMZOPIPTSA-N 1 0 310.397 4.096 20 5 DIBDRO CCC1(CC)CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001169421096 1051609830 /nfs/dbraw/zinc/60/98/30/1051609830.db2.gz XGBCCAPNIHTOSC-UHFFFAOYSA-N 1 0 306.406 4.006 20 5 DIBDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216087 1051632992 /nfs/dbraw/zinc/63/29/92/1051632992.db2.gz KGBYMBCSDVTWJP-CVEARBPZSA-N 1 0 312.413 4.137 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CCc1ccccc1 ZINC001173216090 1051633601 /nfs/dbraw/zinc/63/36/01/1051633601.db2.gz KGBYMBCSDVTWJP-JKSUJKDBSA-N 1 0 312.413 4.137 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2ccccc21 ZINC001173217482 1051634455 /nfs/dbraw/zinc/63/44/55/1051634455.db2.gz VJIYEGITDGJWOG-OAHLLOKOSA-N 1 0 320.392 4.469 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001173217429 1051634908 /nfs/dbraw/zinc/63/49/08/1051634908.db2.gz UPVPSXOAJIIASI-AUUYWEPGSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001173216301 1051635461 /nfs/dbraw/zinc/63/54/61/1051635461.db2.gz ILSOPAMVJNBVTN-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO CC(C)[N@H+](Cc1ccccc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223969 1051636805 /nfs/dbraw/zinc/63/68/05/1051636805.db2.gz CLFVYVQWWWJODO-MRXNPFEDSA-N 1 0 312.413 4.436 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001173221342 1051636825 /nfs/dbraw/zinc/63/68/25/1051636825.db2.gz MHGUZNMKJYYTJX-KBXCAEBGSA-N 1 0 313.401 4.052 20 5 DIBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220004 1051637349 /nfs/dbraw/zinc/63/73/49/1051637349.db2.gz RGZYHNQXDBBPTP-HOTGVXAUSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC001173226381 1051638468 /nfs/dbraw/zinc/63/84/68/1051638468.db2.gz JGKGBCPIQRORIG-CYBMUJFWSA-N 1 0 318.804 4.311 20 5 DIBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173225589 1051638989 /nfs/dbraw/zinc/63/89/89/1051638989.db2.gz SJMPDOHSLWJCLS-HOTGVXAUSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001173226318 1051639257 /nfs/dbraw/zinc/63/92/57/1051639257.db2.gz IDEILIOMEZKWEM-HNAYVOBHSA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001173226766 1051639541 /nfs/dbraw/zinc/63/95/41/1051639541.db2.gz LFDVKNKYEGGHQV-APWZRJJASA-N 1 0 324.424 4.405 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](Cc1ccccc1)C1CC1 ZINC001173232786 1051640565 /nfs/dbraw/zinc/64/05/65/1051640565.db2.gz HWYFSVBFXIYXTM-HNNXBMFYSA-N 1 0 310.397 4.190 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(c2ccccc2)C1 ZINC001173235934 1051640638 /nfs/dbraw/zinc/64/06/38/1051640638.db2.gz WFACXLHBFSNOKJ-RWBZWWBESA-N 1 0 310.397 4.062 20 5 DIBDRO CC[N@H+](Cc1cccs1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232555 1051640678 /nfs/dbraw/zinc/64/06/78/1051640678.db2.gz RKHLOPURGDYLJW-ZDUSSCGKSA-N 1 0 304.415 4.109 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C/C=C/c1ccccc1 ZINC001173233291 1051640882 /nfs/dbraw/zinc/64/08/82/1051640882.db2.gz KLOUNKCVPQUSAI-FSNWXROXSA-N 1 0 310.397 4.171 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1coc2ccccc12 ZINC001173234090 1051641406 /nfs/dbraw/zinc/64/14/06/1051641406.db2.gz MIHMVBLMUNIBEO-CQSZACIVSA-N 1 0 324.380 4.104 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001173232818 1051641776 /nfs/dbraw/zinc/64/17/76/1051641776.db2.gz IDVLISMZHJNSDM-MXWWQKGMSA-N 1 0 320.408 4.130 20 5 DIBDRO CC[N@H+](Cc1ccc(F)cc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232476 1051641854 /nfs/dbraw/zinc/64/18/54/1051641854.db2.gz GZNRQTFNYVZGAC-CQSZACIVSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC001173234519 1051641902 /nfs/dbraw/zinc/64/19/02/1051641902.db2.gz PDOXDWBGXASGKT-IQUTYRLHSA-N 1 0 310.397 4.364 20 5 DIBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC001169557765 1051644886 /nfs/dbraw/zinc/64/48/86/1051644886.db2.gz ZNRKVSNUBJXSDR-GJZGRUSLSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1Cl ZINC001173209232 1051647251 /nfs/dbraw/zinc/64/72/51/1051647251.db2.gz AKQNZMHJYICCDP-ZDUSSCGKSA-N 1 0 318.804 4.012 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001173212340 1051649192 /nfs/dbraw/zinc/64/91/92/1051649192.db2.gz ZRCSXQJUCPSYEX-LBPRGKRZSA-N 1 0 320.339 4.253 20 5 DIBDRO Cc1cc2cc3cc(C)c(NC4=CCCOC4)cc3[nH+]c2cc1N ZINC001216511889 1051799831 /nfs/dbraw/zinc/79/98/31/1051799831.db2.gz ZHAKFZJCZSOTQD-UHFFFAOYSA-N 1 0 319.408 4.303 20 5 DIBDRO COc1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001173959258 1051895421 /nfs/dbraw/zinc/89/54/21/1051895421.db2.gz BXKWDJIJNAZLDA-UHFFFAOYSA-N 1 0 316.364 4.117 20 5 DIBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494468324 1051899490 /nfs/dbraw/zinc/89/94/90/1051899490.db2.gz SGSBWNUKYZHTIR-ZJUUUORDSA-N 1 0 304.312 4.138 20 5 DIBDRO O[C@H]1CC[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000768408686 1051926141 /nfs/dbraw/zinc/92/61/41/1051926141.db2.gz FLEGLVIRBQXJPZ-ZDUSSCGKSA-N 1 0 311.812 4.213 20 5 DIBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768548961 1051945394 /nfs/dbraw/zinc/94/53/94/1051945394.db2.gz MTJKFXRGZHNABW-LLVKDONJSA-N 1 0 316.854 4.212 20 5 DIBDRO C[N@H+](Cc1cn[nH]c1)Cc1c2ccccc2cc2ccccc21 ZINC000769426810 1052045011 /nfs/dbraw/zinc/04/50/11/1052045011.db2.gz WTBBZGJJNWCRAB-UHFFFAOYSA-N 1 0 301.393 4.348 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217775109 1052139169 /nfs/dbraw/zinc/13/91/69/1052139169.db2.gz BJLPXPHSFAQSSC-YCRPNKLZSA-N 1 0 320.436 4.293 20 5 DIBDRO F[C@H]1C[NH2+]CC[C@H]1OCc1c2ccccc2cc2ccccc21 ZINC001217796326 1052145584 /nfs/dbraw/zinc/14/55/84/1052145584.db2.gz YQMMEMYEHFKPGL-VQTJNVASSA-N 1 0 309.384 4.210 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001217806039 1052146789 /nfs/dbraw/zinc/14/67/89/1052146789.db2.gz OIENTOFAEJAHDE-RTWAWAEBSA-N 1 0 318.420 4.047 20 5 DIBDRO F[C@H]1C[NH2+]CCC[C@@H]1Oc1c2ccccc2cc2ccccc21 ZINC001217952937 1052176638 /nfs/dbraw/zinc/17/66/38/1052176638.db2.gz YQTGHNAXOQMPAJ-OALUTQOASA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001217989001 1052180766 /nfs/dbraw/zinc/18/07/66/1052180766.db2.gz LVLBKTUDLMYIAU-AUUYWEPGSA-N 1 0 306.409 4.155 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(OC4CC5(C[NH2+]C5)C4)c3c2n1 ZINC001218056663 1052191288 /nfs/dbraw/zinc/19/12/88/1052191288.db2.gz ADNFIRSUXNHLHQ-UHFFFAOYSA-N 1 0 318.420 4.136 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@@H]3CCC[C@]34CC[NH2+]C4)cc2c1 ZINC001218094741 1052196779 /nfs/dbraw/zinc/19/67/79/1052196779.db2.gz NLEKXJMRQXZORG-TZIWHRDSSA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2nc3c(cccc3OC3CC4(C3)CC[NH2+]CC4)cc2c1 ZINC001218104883 1052197303 /nfs/dbraw/zinc/19/73/03/1052197303.db2.gz RYNKGSZLPPJMMD-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2CC[C@]23CC[NH2+]C3)c2ccccc12 ZINC001218114207 1052199108 /nfs/dbraw/zinc/19/91/08/1052199108.db2.gz ASFQIBTXMZSUBD-GHTZIAJQSA-N 1 0 319.404 4.220 20 5 DIBDRO c1ccc2c(c1)nc(O[C@@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)c1ccccc21 ZINC001218185104 1052203664 /nfs/dbraw/zinc/20/36/64/1052203664.db2.gz UREXTKPAMMGCRL-QDMKHBRRSA-N 1 0 304.393 4.050 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218185501 1052204259 /nfs/dbraw/zinc/20/42/59/1052204259.db2.gz DQDKGJDVZONVPZ-ZSHCYNCHSA-N 1 0 304.393 4.050 20 5 DIBDRO CC1(C)C[NH2+]CC[C@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218312186 1052223243 /nfs/dbraw/zinc/22/32/43/1052223243.db2.gz UPAKZLLYQLLGHU-GOSISDBHSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218414385 1052236913 /nfs/dbraw/zinc/23/69/13/1052236913.db2.gz KLVIGOURIPNWLN-ACJLOTCBSA-N 1 0 307.393 4.075 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4CC[NH2+]C[C@H]4C)c3c2n1 ZINC001218415187 1052237258 /nfs/dbraw/zinc/23/72/58/1052237258.db2.gz BANLOEUJDPIYDG-RDTXWAMCSA-N 1 0 320.436 4.382 20 5 DIBDRO FC1(F)CC[NH2+]C[C@H]1Oc1c2ccccc2cc2ccccc21 ZINC001218450958 1052239770 /nfs/dbraw/zinc/23/97/70/1052239770.db2.gz ATXPXFFZPBAGHA-QGZVFWFLSA-N 1 0 313.347 4.369 20 5 DIBDRO FC1(F)CC[NH2+]C[C@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001218453671 1052241224 /nfs/dbraw/zinc/24/12/24/1052241224.db2.gz ZUBHFIZCXIDACM-GOSISDBHSA-N 1 0 313.347 4.369 20 5 DIBDRO FC1(F)CC[NH2+]C[C@@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001218453672 1052241380 /nfs/dbraw/zinc/24/13/80/1052241380.db2.gz ZUBHFIZCXIDACM-SFHVURJKSA-N 1 0 313.347 4.369 20 5 DIBDRO c1ccc2cc3cc(O[C@@H]4CC[C@@H]5C[NH2+]C[C@@H]45)ccc3cc2c1 ZINC001218467468 1052242749 /nfs/dbraw/zinc/24/27/49/1052242749.db2.gz PCLPEMQZISCFHO-DUXKGJEZSA-N 1 0 303.405 4.370 20 5 DIBDRO CC1(C)C[C@@H](Oc2cccc3ccc4cccnc4c32)CC[NH2+]1 ZINC001218471218 1052243296 /nfs/dbraw/zinc/24/32/96/1052243296.db2.gz IHAUQTZFHJWBJT-INIZCTEOSA-N 1 0 306.409 4.297 20 5 DIBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218481898 1052245793 /nfs/dbraw/zinc/24/57/93/1052245793.db2.gz AKDUMWAFHLFKQH-ACJLOTCBSA-N 1 0 307.393 4.075 20 5 DIBDRO CC(C)[NH+](CCSCc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000762198190 1052335313 /nfs/dbraw/zinc/33/53/13/1052335313.db2.gz ATHMAVRMUDWASZ-UHFFFAOYSA-N 1 0 314.426 4.086 20 5 DIBDRO Cc1c(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000495439470 1052352531 /nfs/dbraw/zinc/35/25/31/1052352531.db2.gz MDNHWGXCXVOFGU-SFHVURJKSA-N 1 0 310.397 4.014 20 5 DIBDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090723721 1052533993 /nfs/dbraw/zinc/53/39/93/1052533993.db2.gz ATDUKPPJPWUOKW-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090723722 1052534047 /nfs/dbraw/zinc/53/40/47/1052534047.db2.gz ATDUKPPJPWUOKW-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090723774 1052534762 /nfs/dbraw/zinc/53/47/62/1052534762.db2.gz CHGSCYRPTLYXBY-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C2CCC(OC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000090771530 1052566160 /nfs/dbraw/zinc/56/61/60/1052566160.db2.gz KHUCDDQRYZNMPJ-FHERZECASA-N 1 0 320.433 4.290 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000161786469 1052573221 /nfs/dbraw/zinc/57/32/21/1052573221.db2.gz NPSVJSCDMGVPGB-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OC(Cl)(c1ccccc1)c1ccccc1 ZINC001223159542 1052573633 /nfs/dbraw/zinc/57/36/33/1052573633.db2.gz JAXWETZICQJJAK-INIZCTEOSA-N 1 0 318.868 4.238 20 5 DIBDRO CC(C)(C)[NH+]1CC(OCc2c3ccccc3nc3ccccc32)C1 ZINC001223337543 1052591214 /nfs/dbraw/zinc/59/12/14/1052591214.db2.gz ZMPHJYDBWWVTJT-UHFFFAOYSA-N 1 0 320.436 4.387 20 5 DIBDRO C[C@H](OC1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223426943 1052599698 /nfs/dbraw/zinc/59/96/98/1052599698.db2.gz BMVSMSVCHNRROI-ZDUSSCGKSA-N 1 0 320.433 4.324 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC001224027940 1052662041 /nfs/dbraw/zinc/66/20/41/1052662041.db2.gz YDZTUKXPIXASRP-VIBAHUMZSA-N 1 0 318.417 4.076 20 5 DIBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000916986381 1052675505 /nfs/dbraw/zinc/67/55/05/1052675505.db2.gz GJXPAYZPIHVUSQ-SFHVURJKSA-N 1 0 314.360 4.243 20 5 DIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000916967961 1052675727 /nfs/dbraw/zinc/67/57/27/1052675727.db2.gz HODAEONFVDWZQM-KRWDZBQOSA-N 1 0 314.360 4.379 20 5 DIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000917833686 1052759806 /nfs/dbraw/zinc/75/98/06/1052759806.db2.gz MBJSAXWQSTXYAJ-QGZVFWFLSA-N 1 0 314.360 4.379 20 5 DIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000917833685 1052760271 /nfs/dbraw/zinc/76/02/71/1052760271.db2.gz MBJSAXWQSTXYAJ-KRWDZBQOSA-N 1 0 314.360 4.379 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000609280622 1052807268 /nfs/dbraw/zinc/80/72/68/1052807268.db2.gz GZZMWPLPJPHPFS-SFHVURJKSA-N 1 0 310.397 4.050 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H](CC[NH+](C)C)c2cccs2)c1 ZINC001225682609 1052816754 /nfs/dbraw/zinc/81/67/54/1052816754.db2.gz KXKVPVVOVXUNOE-AWEZNQCLSA-N 1 0 320.414 4.037 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000609288422 1052843339 /nfs/dbraw/zinc/84/33/39/1052843339.db2.gz URYQFEDOBNAMBK-MJICGBHWSA-N 1 0 308.381 4.194 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cs1 ZINC000609541516 1052982050 /nfs/dbraw/zinc/98/20/50/1052982050.db2.gz XXDZAHWLOFBWKW-CYBMUJFWSA-N 1 0 322.817 4.299 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000195582092 1052982643 /nfs/dbraw/zinc/98/26/43/1052982643.db2.gz RGUBRXSTEQYURH-ZDUSSCGKSA-N 1 0 310.353 4.234 20 5 DIBDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000609625698 1052984499 /nfs/dbraw/zinc/98/44/99/1052984499.db2.gz PGBQCUUUUXKVLF-LJQANCHMSA-N 1 0 310.397 4.147 20 5 DIBDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000609709027 1052988455 /nfs/dbraw/zinc/98/84/55/1052988455.db2.gz KWLFVFSPJVCLJT-MRXNPFEDSA-N 1 0 318.804 4.359 20 5 DIBDRO CCCC1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000195651158 1052999746 /nfs/dbraw/zinc/99/97/46/1052999746.db2.gz QRRMAWHTJSWSNN-UHFFFAOYSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)C[C@H](C)O ZINC000237549456 1053011909 /nfs/dbraw/zinc/01/19/09/1053011909.db2.gz NJMRQURJAJGOHI-CVEARBPZSA-N 1 0 307.437 4.490 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccsc1 ZINC000615833469 1053032540 /nfs/dbraw/zinc/03/25/40/1053032540.db2.gz MGNISZAKMCHMKP-JYRVWZFOSA-N 1 0 302.399 4.192 20 5 DIBDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1csc([N+](=O)[O-])c1 ZINC000237903697 1053037408 /nfs/dbraw/zinc/03/74/08/1053037408.db2.gz AATKBIXACHVZBR-CYBMUJFWSA-N 1 0 320.414 4.361 20 5 DIBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000180859043 1053100654 /nfs/dbraw/zinc/10/06/54/1053100654.db2.gz FASNNKXTWNZXOD-MAUKXSAKSA-N 1 0 305.421 4.196 20 5 DIBDRO CC(C)[N@H+](CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC001318497818 1053170365 /nfs/dbraw/zinc/17/03/65/1053170365.db2.gz FLTGSESDJGOOOZ-UHFFFAOYSA-N 1 0 312.413 4.090 20 5 DIBDRO C[NH+]1CCC(Oc2c3ccccc3c(O)c3ccccc32)CC1 ZINC001229025400 1053228336 /nfs/dbraw/zinc/22/83/36/1053228336.db2.gz OFVGPXVWXSRVCZ-UHFFFAOYSA-N 1 0 307.393 4.172 20 5 DIBDRO CC[N@@H+]1CC[C@@H](Oc2c3ccccc3c(O)c3ccccc32)C1 ZINC001229027811 1053228851 /nfs/dbraw/zinc/22/88/51/1053228851.db2.gz VHIJDHUZOAMAJF-CQSZACIVSA-N 1 0 307.393 4.172 20 5 DIBDRO CCCOc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000069752312 1053290181 /nfs/dbraw/zinc/29/01/81/1053290181.db2.gz OMWLIQNKPLTZDO-CQSZACIVSA-N 1 0 314.385 4.234 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ccccc31)CCC2 ZINC000618562199 1053323369 /nfs/dbraw/zinc/32/33/69/1053323369.db2.gz HXJPFVYXYCHWTB-OALUTQOASA-N 1 0 308.381 4.249 20 5 DIBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571383 1053324638 /nfs/dbraw/zinc/32/46/38/1053324638.db2.gz HEQSBXAURNXGSZ-SCLBCKFNSA-N 1 0 311.385 4.026 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000618565252 1053325738 /nfs/dbraw/zinc/32/57/38/1053325738.db2.gz MGMGBEQWLYRCAF-INIZCTEOSA-N 1 0 302.399 4.132 20 5 DIBDRO C[C@@H](Oc1cccc([C@@H](C)[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC001229628708 1053368852 /nfs/dbraw/zinc/36/88/52/1053368852.db2.gz WHIBIXDAGDJXIJ-ZIAGYGMSSA-N 1 0 314.385 4.357 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(O)cc(Cl)c2)cc1[N+](=O)[O-] ZINC001352749448 1053398014 /nfs/dbraw/zinc/39/80/14/1053398014.db2.gz IDFZINKGJIMSKT-LLVKDONJSA-N 1 0 320.776 4.113 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCC3)CCC2 ZINC001321282058 1053405251 /nfs/dbraw/zinc/40/52/51/1053405251.db2.gz IMXVYZZTDNOFEA-FQEVSTJZSA-N 1 0 322.408 4.251 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1OC1CC[NH+](C2CC2)CC1 ZINC001230202843 1053492051 /nfs/dbraw/zinc/49/20/51/1053492051.db2.gz DIFSLLOYLCLQHO-UHFFFAOYSA-N 1 0 318.420 4.394 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000619611303 1053519460 /nfs/dbraw/zinc/51/94/60/1053519460.db2.gz IEJUGHHWLYSUCS-IAGOWNOFSA-N 1 0 311.385 4.108 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327256434 1053845384 /nfs/dbraw/zinc/84/53/84/1053845384.db2.gz YEVKCMABMKZLPY-YCSDARKISA-N 1 0 322.355 4.022 20 5 DIBDRO O=[N+]([O-])c1ccccc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC001472637343 1053851572 /nfs/dbraw/zinc/85/15/72/1053851572.db2.gz AFRFDEZPVGLSAL-UHFFFAOYSA-N 1 0 317.433 4.196 20 5 DIBDRO Cc1cc(NCCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])s1 ZINC001472643358 1053864737 /nfs/dbraw/zinc/86/47/37/1053864737.db2.gz JAAVXOSYFJEVDG-UHFFFAOYSA-N 1 0 311.451 4.031 20 5 DIBDRO CCC[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183992619 1053896143 /nfs/dbraw/zinc/89/61/43/1053896143.db2.gz IHAYRDLKQLSKQW-ZWKOTPCHSA-N 1 0 320.433 4.375 20 5 DIBDRO CCC[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001328102411 1053907794 /nfs/dbraw/zinc/90/77/94/1053907794.db2.gz DWAQMNMIHBRVRR-HNFVBEJKSA-N 1 0 310.344 4.213 20 5 DIBDRO Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001200803200 1053988087 /nfs/dbraw/zinc/98/80/87/1053988087.db2.gz PEGMYTDXNIONFA-INIZCTEOSA-N 1 0 312.413 4.241 20 5 DIBDRO C[N@H+](Cc1ccccc1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232217823 1053993861 /nfs/dbraw/zinc/99/38/61/1053993861.db2.gz BIKNZKJECQNRKF-UHFFFAOYSA-N 1 0 313.404 4.415 20 5 DIBDRO CC[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232224005 1053994874 /nfs/dbraw/zinc/99/48/74/1053994874.db2.gz YJODVHWFBXBFGS-HNNXBMFYSA-N 1 0 305.425 4.405 20 5 DIBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232225624 1053996021 /nfs/dbraw/zinc/99/60/21/1053996021.db2.gz NQUPOPRVDKYUAU-SFHVURJKSA-N 1 0 305.425 4.403 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@H]4CCC[C@H]4C3)nc12 ZINC001232220565 1053996164 /nfs/dbraw/zinc/99/61/64/1053996164.db2.gz QKSCMTNOGQNDLB-QAPCUYQASA-N 1 0 317.436 4.405 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)nc12 ZINC001232220562 1053996397 /nfs/dbraw/zinc/99/63/97/1053996397.db2.gz QKSCMTNOGQNDLB-CRAIPNDOSA-N 1 0 317.436 4.405 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)nc12 ZINC001232219599 1053997104 /nfs/dbraw/zinc/99/71/04/1053997104.db2.gz WBDRNPQUGMMHPX-ROUUACIJSA-N 1 0 317.436 4.405 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC001200810713 1053998842 /nfs/dbraw/zinc/99/88/42/1053998842.db2.gz AGXATYFYYVQNEZ-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CF)cc1[N+](=O)[O-] ZINC001335613650 1054221474 /nfs/dbraw/zinc/22/14/74/1054221474.db2.gz PMXDPCQUEYPGPI-ZDUSSCGKSA-N 1 0 302.349 4.224 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2O[C@H]1C[NH+]2CCC1CC2 ZINC001233662268 1054326601 /nfs/dbraw/zinc/32/66/01/1054326601.db2.gz LCFIWSXEXBPVKY-FQEVSTJZSA-N 1 0 303.405 4.466 20 5 DIBDRO CC(C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000179598301 1054689985 /nfs/dbraw/zinc/68/99/85/1054689985.db2.gz BSGKDYCUMORBSO-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC2C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC001474122745 1054786529 /nfs/dbraw/zinc/78/65/29/1054786529.db2.gz KOOUKVMKWQRQET-UHFFFAOYSA-N 1 0 304.434 4.490 20 5 DIBDRO [NH3+]Cc1cc(-c2ccc3ccc4cccc5ccc2c3c45)ncn1 ZINC001236378053 1055082074 /nfs/dbraw/zinc/08/20/74/1055082074.db2.gz GBUIEEJQRRFAOW-UHFFFAOYSA-N 1 0 309.372 4.500 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000765336264 1055365805 /nfs/dbraw/zinc/36/58/05/1055365805.db2.gz HSOHAYMXZQWRDV-MNOVXSKESA-N 1 0 305.765 4.055 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000765336266 1055367305 /nfs/dbraw/zinc/36/73/05/1055367305.db2.gz HSOHAYMXZQWRDV-QWRGUYRKSA-N 1 0 305.765 4.055 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCSC(C)(C)C)cc1[N+](=O)[O-] ZINC001168553274 1055566901 /nfs/dbraw/zinc/56/69/01/1055566901.db2.gz PEHDPFOKZFVNBG-CYBMUJFWSA-N 1 0 310.463 4.476 20 5 DIBDRO Cc1ccc(C2(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)CC2)c(C)c1 ZINC001620951643 1055568915 /nfs/dbraw/zinc/56/89/15/1055568915.db2.gz RLOHSWBOEXMNIM-UHFFFAOYSA-N 1 0 324.424 4.341 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)o2)c1 ZINC001620966113 1055689853 /nfs/dbraw/zinc/68/98/53/1055689853.db2.gz JQJPOYVJACLNRL-DQYPLSBCSA-N 1 0 312.369 4.133 20 5 DIBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1(C)C ZINC001620812630 1056005448 /nfs/dbraw/zinc/00/54/48/1056005448.db2.gz OEWUWAROGUIYLH-FUHWJXTLSA-N 1 0 320.433 4.011 20 5 DIBDRO CSc1ccc(F)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001620814779 1056008839 /nfs/dbraw/zinc/00/88/39/1056008839.db2.gz BGZRCPGZTJLPEQ-UHFFFAOYSA-N 1 0 320.389 4.054 20 5 DIBDRO CCC(CC)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC001611770374 1056188559 /nfs/dbraw/zinc/18/85/59/1056188559.db2.gz SBRFWMGIVAYYPA-HNNXBMFYSA-N 1 0 313.829 4.027 20 5 DIBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC001611889032 1056205067 /nfs/dbraw/zinc/20/50/67/1056205067.db2.gz FZOAHMZBDDKQKX-CQSZACIVSA-N 1 0 323.412 4.109 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cncs1 ZINC000903309657 1056206022 /nfs/dbraw/zinc/20/60/22/1056206022.db2.gz GEMIODJUAVQTKG-HZMBPMFUSA-N 1 0 317.414 4.125 20 5 DIBDRO CC(C)(C)[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000553598530 1056206991 /nfs/dbraw/zinc/20/69/91/1056206991.db2.gz POWXYOXSNVAHAL-KRWDZBQOSA-N 1 0 314.385 4.177 20 5 DIBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001611943139 1056213038 /nfs/dbraw/zinc/21/30/38/1056213038.db2.gz SITOWLGEQLNSOU-INIZCTEOSA-N 1 0 317.433 4.051 20 5 DIBDRO C[C@H]1CC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1 ZINC001620822954 1056295251 /nfs/dbraw/zinc/29/52/51/1056295251.db2.gz XKIZHQQLLPVZFY-HUUCEWRRSA-N 1 0 304.434 4.332 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001612627813 1056311914 /nfs/dbraw/zinc/31/19/14/1056311914.db2.gz BAYYXRPORKQNGK-ZDUSSCGKSA-N 1 0 323.824 4.067 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCNc2ccccc21 ZINC001168643128 1056322140 /nfs/dbraw/zinc/32/21/40/1056322140.db2.gz BLBJOQWXDHUXOZ-HXUWFJFHSA-N 1 0 310.465 4.252 20 5 DIBDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001615176168 1056472504 /nfs/dbraw/zinc/47/25/04/1056472504.db2.gz LICONJQIFNBCGC-UHFFFAOYSA-N 1 0 322.767 4.409 20 5 DIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC001615201021 1056476076 /nfs/dbraw/zinc/47/60/76/1056476076.db2.gz UODSSIIJOZMQTP-GOSISDBHSA-N 1 0 318.417 4.018 20 5 DIBDRO Cc1ccc(-c2ccc(C[N@@H+](CC[N+](=O)[O-])C(C)C)s2)cc1 ZINC001615285555 1056487061 /nfs/dbraw/zinc/48/70/61/1056487061.db2.gz IXZZSJQLLOGUEC-UHFFFAOYSA-N 1 0 318.442 4.211 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC001615302740 1056489799 /nfs/dbraw/zinc/48/97/99/1056489799.db2.gz JOGUBQJUVNWETD-HOCLYGCPSA-N 1 0 320.433 4.393 20 5 DIBDRO C[C@]1(CCc2ccccc2)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001615806291 1056577922 /nfs/dbraw/zinc/57/79/22/1056577922.db2.gz QNVHMCAOZNEZCL-FQEVSTJZSA-N 1 0 324.424 4.440 20 5 DIBDRO CC(C)c1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001615846918 1056585804 /nfs/dbraw/zinc/58/58/04/1056585804.db2.gz RSWMNEIZDLSFMG-UHFFFAOYSA-N 1 0 310.397 4.277 20 5 DIBDRO CCSCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001616151077 1056613632 /nfs/dbraw/zinc/61/36/32/1056613632.db2.gz DNTLSJATJKHYMX-NSHDSACASA-N 1 0 316.854 4.212 20 5 DIBDRO c1ccc2cc3cc(-c4cc(C5C[NH2+]C5)ncn4)ccc3cc2c1 ZINC001240683110 1056638411 /nfs/dbraw/zinc/63/84/11/1056638411.db2.gz FYPFNRZBMZDWDJ-UHFFFAOYSA-N 1 0 311.388 4.137 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC001616628731 1056690428 /nfs/dbraw/zinc/69/04/28/1056690428.db2.gz FLCSKOIFHQUBII-CABCVRRESA-N 1 0 302.418 4.476 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001616873925 1056730403 /nfs/dbraw/zinc/73/04/03/1056730403.db2.gz IHGJIPRHYUFUPH-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@@H]2CCCC2(F)F)C2CC2)cc1 ZINC001616891990 1056733758 /nfs/dbraw/zinc/73/37/58/1056733758.db2.gz LMSDYYKSDSTOGF-AWEZNQCLSA-N 1 0 324.371 4.385 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001617275955 1056805645 /nfs/dbraw/zinc/80/56/45/1056805645.db2.gz YJWPPTSJJNUEFY-GUYCJALGSA-N 1 0 308.397 4.428 20 5 DIBDRO CCOc1cc(C[N@H+](CC2CCC2)C(C)C)ccc1[N+](=O)[O-] ZINC001617590613 1056852379 /nfs/dbraw/zinc/85/23/79/1056852379.db2.gz OWXLIIRJVDAWEY-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO c1ccc2c(c1)cc(-c1ncnc3c1CC[NH2+]C3)c1ccccc21 ZINC001241133180 1056915967 /nfs/dbraw/zinc/91/59/67/1056915967.db2.gz UCMPTOIMLRSUPN-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000314566422 1056936859 /nfs/dbraw/zinc/93/68/59/1056936859.db2.gz XHXWXYFAHKEXQP-QGZVFWFLSA-N 1 0 302.349 4.017 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282347805 1056998833 /nfs/dbraw/zinc/99/88/33/1056998833.db2.gz AKIVEMBSLIKIRT-NSHDSACASA-N 1 0 320.389 4.307 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000922537740 1057030472 /nfs/dbraw/zinc/03/04/72/1057030472.db2.gz JQQAZZRBCHNFRD-SNVBAGLBSA-N 1 0 308.428 4.229 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000093275076 1057034758 /nfs/dbraw/zinc/03/47/58/1057034758.db2.gz VNZGDXUQCFWVHI-GFCCVEGCSA-N 1 0 319.430 4.170 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000282434366 1057119691 /nfs/dbraw/zinc/11/96/91/1057119691.db2.gz HQYAZCGHEQFGHL-NSHDSACASA-N 1 0 320.389 4.307 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000029148666 1057135995 /nfs/dbraw/zinc/13/59/95/1057135995.db2.gz MDDIDPRQNWBACX-SFHVURJKSA-N 1 0 314.385 4.090 20 5 DIBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000171762449 1057241086 /nfs/dbraw/zinc/24/10/86/1057241086.db2.gz CGCQEZWQAFVAFC-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO CC(C)CC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000611254213 1057586230 /nfs/dbraw/zinc/58/62/30/1057586230.db2.gz SWYOSGITUXGFSO-UHFFFAOYSA-N 1 0 319.430 4.196 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C3CC3)o2)cc1 ZINC000611268541 1057587137 /nfs/dbraw/zinc/58/71/37/1057587137.db2.gz LJOZXZRSJXEAPE-KRWDZBQOSA-N 1 0 312.369 4.229 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000611265467 1057587279 /nfs/dbraw/zinc/58/72/79/1057587279.db2.gz SSTWOYIHGTXBGI-PXPSOEEZSA-N 1 0 324.380 4.151 20 5 DIBDRO CC[N@H+](CCC(F)(F)F)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611266893 1057587641 /nfs/dbraw/zinc/58/76/41/1057587641.db2.gz SJVHKBJNMRWZGZ-UHFFFAOYSA-N 1 0 318.339 4.493 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000611475768 1057603108 /nfs/dbraw/zinc/60/31/08/1057603108.db2.gz GVUPPMPAOQHWAD-QEJZJMRPSA-N 1 0 324.371 4.083 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000611515756 1057604889 /nfs/dbraw/zinc/60/48/89/1057604889.db2.gz UMFBPSGZSVHRHL-KGLIPLIRSA-N 1 0 300.358 4.047 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC=CCC2)s1 ZINC000611521128 1057605165 /nfs/dbraw/zinc/60/51/65/1057605165.db2.gz CISRIQKNFCNUGL-UHFFFAOYSA-N 1 0 300.383 4.085 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000731452835 1057744015 /nfs/dbraw/zinc/74/40/15/1057744015.db2.gz PLDWMXQMVLMSRK-SNVBAGLBSA-N 1 0 324.302 4.171 20 5 DIBDRO Cc1ccc(C[NH2+]C2CC(c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000731678553 1057751778 /nfs/dbraw/zinc/75/17/78/1057751778.db2.gz HWUOTUVHFULDII-UHFFFAOYSA-N 1 0 314.360 4.078 20 5 DIBDRO C[C@@](O)(C[NH2+]Cc1c2ccccc2cc2ccccc21)C1CC1 ZINC000732670254 1057782970 /nfs/dbraw/zinc/78/29/70/1057782970.db2.gz WSUOITOGCIXOFD-OAQYLSRUSA-N 1 0 305.421 4.244 20 5 DIBDRO C[NH2+]Cc1cccc(-c2ccnc3c2ccc2cccnc23)c1F ZINC001244861633 1058059578 /nfs/dbraw/zinc/05/95/78/1058059578.db2.gz FNGGBSHXLDNOLV-UHFFFAOYSA-N 1 0 317.367 4.309 20 5 DIBDRO C[C@H]1C[C@@H](N(C)Cc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001246863826 1059138517 /nfs/dbraw/zinc/13/85/17/1059138517.db2.gz ZYVUZUICFPOIMZ-MAUKXSAKSA-N 1 0 304.437 4.175 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C(C)C ZINC001559540995 1059343527 /nfs/dbraw/zinc/34/35/27/1059343527.db2.gz FURMILPNHPUHJH-QGZVFWFLSA-N 1 0 320.433 4.393 20 5 DIBDRO CCC1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001559583260 1059414549 /nfs/dbraw/zinc/41/45/49/1059414549.db2.gz BMCZHUKLRIPZBF-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001559583973 1059415227 /nfs/dbraw/zinc/41/52/27/1059415227.db2.gz XCIQULUHJPFXJD-CQSZACIVSA-N 1 0 306.406 4.004 20 5 DIBDRO CC(C)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001559601970 1059433879 /nfs/dbraw/zinc/43/38/79/1059433879.db2.gz WDBBJQYFWONDRT-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO COc1cc(C[N@@H+]2CCCC[C@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC001559625438 1059453918 /nfs/dbraw/zinc/45/39/18/1059453918.db2.gz SKPQBUYRVLTGBM-AWEZNQCLSA-N 1 0 324.396 4.143 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC001559686400 1059516617 /nfs/dbraw/zinc/51/66/17/1059516617.db2.gz BNTLNSNWWWTQCF-CYBMUJFWSA-N 1 0 318.804 4.450 20 5 DIBDRO CC(C)[C@H]1CCCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559688874 1059516689 /nfs/dbraw/zinc/51/66/89/1059516689.db2.gz FBPKJKDSHGQYAF-GOSISDBHSA-N 1 0 320.433 4.264 20 5 DIBDRO Cc1ccccc1CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001559686938 1059517029 /nfs/dbraw/zinc/51/70/29/1059517029.db2.gz UMSZRIKUHUQSQV-INIZCTEOSA-N 1 0 312.413 4.495 20 5 DIBDRO CC(C)(C)C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC001559717794 1059545399 /nfs/dbraw/zinc/54/53/99/1059545399.db2.gz XJUUNEFDESNKJO-INIZCTEOSA-N 1 0 322.449 4.022 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001559772495 1059609419 /nfs/dbraw/zinc/60/94/19/1059609419.db2.gz BORUKJNTNLQIAF-IEBWSBKVSA-N 1 0 324.424 4.486 20 5 DIBDRO CC1(C2CC2)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001559877374 1059697633 /nfs/dbraw/zinc/69/76/33/1059697633.db2.gz XEHKQGSUXXSDLP-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001559911060 1059723363 /nfs/dbraw/zinc/72/33/63/1059723363.db2.gz DNECCBKKZADNDL-OFQRWUPVSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001559907796 1059723643 /nfs/dbraw/zinc/72/36/43/1059723643.db2.gz KQQHZIBUARXSII-SFHVURJKSA-N 1 0 314.360 4.379 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001559911059 1059724296 /nfs/dbraw/zinc/72/42/96/1059724296.db2.gz DNECCBKKZADNDL-IJEWVQPXSA-N 1 0 320.433 4.298 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC001559924760 1059739071 /nfs/dbraw/zinc/73/90/71/1059739071.db2.gz BTQNZBKLFCFHLK-CYBMUJFWSA-N 1 0 308.809 4.260 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001559925506 1059741472 /nfs/dbraw/zinc/74/14/72/1059741472.db2.gz VAHWJIMLXMBGPL-CYBMUJFWSA-N 1 0 308.809 4.260 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC001560095438 1059901772 /nfs/dbraw/zinc/90/17/72/1059901772.db2.gz ABYLIMNVNSGCMT-GOSISDBHSA-N 1 0 318.417 4.148 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001560093117 1059904315 /nfs/dbraw/zinc/90/43/15/1059904315.db2.gz YPTKYDWDZKPGKP-ZDUSSCGKSA-N 1 0 309.369 4.269 20 5 DIBDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001560189817 1059976805 /nfs/dbraw/zinc/97/68/05/1059976805.db2.gz POFZEOYJGARVSL-QGZVFWFLSA-N 1 0 316.426 4.254 20 5 DIBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001560216269 1059994662 /nfs/dbraw/zinc/99/46/62/1059994662.db2.gz ZKWIFQAMPAHMMM-NOZJJQNGSA-N 1 0 315.200 4.346 20 5 DIBDRO Cc1ccc(C[NH2+]CCCCCc2ccccc2)cc1[N+](=O)[O-] ZINC001560308308 1060094161 /nfs/dbraw/zinc/09/41/61/1060094161.db2.gz JPINUWMEMCJOFU-UHFFFAOYSA-N 1 0 312.413 4.406 20 5 DIBDRO CC(C)[C@@H](O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001560339819 1060125426 /nfs/dbraw/zinc/12/54/26/1060125426.db2.gz GFBVFDQPJWVWCU-NRFANRHFSA-N 1 0 307.437 4.490 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC001560357058 1060142040 /nfs/dbraw/zinc/14/20/40/1060142040.db2.gz DEQYWELPVNDRPW-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO Cc1cccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC001560418058 1060202964 /nfs/dbraw/zinc/20/29/64/1060202964.db2.gz SHMPSYISWCYYPC-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001560607642 1060421458 /nfs/dbraw/zinc/42/14/58/1060421458.db2.gz KRWZQORTDROMEG-JSGCOSHPSA-N 1 0 308.447 4.092 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC001560607644 1060422257 /nfs/dbraw/zinc/42/22/57/1060422257.db2.gz KRWZQORTDROMEG-TZMCWYRMSA-N 1 0 308.447 4.092 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)o2)c1 ZINC001560615640 1060430593 /nfs/dbraw/zinc/43/05/93/1060430593.db2.gz WXFPDGFHTQKTHD-JCURWCKSSA-N 1 0 312.369 4.133 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2c1CCC2)C1CC1 ZINC001560639068 1060457651 /nfs/dbraw/zinc/45/76/51/1060457651.db2.gz PLKZYXQHQNWLPX-UHFFFAOYSA-N 1 0 322.408 4.248 20 5 DIBDRO CC[C@@H](CC1CCCCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001560705092 1060562102 /nfs/dbraw/zinc/56/21/02/1060562102.db2.gz CUGVWJSKKGIKQA-INIZCTEOSA-N 1 0 320.433 4.442 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\c1ccccc1 ZINC001560708446 1060564481 /nfs/dbraw/zinc/56/44/81/1060564481.db2.gz KRMJPDBPEFCOEF-BJIFSAINSA-N 1 0 310.397 4.219 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC001560718580 1060579219 /nfs/dbraw/zinc/57/92/19/1060579219.db2.gz XWCDWWSLYAXPGW-QWHCGFSZSA-N 1 0 308.809 4.260 20 5 DIBDRO Cc1c(C[NH+]2CC([C@H]3CCC[C@@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC001560977762 1060841791 /nfs/dbraw/zinc/84/17/91/1060841791.db2.gz JSPLBKBJOZAVBN-HIFRSBDPSA-N 1 0 302.418 4.161 20 5 DIBDRO C=C/C=C/CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001560990221 1060853726 /nfs/dbraw/zinc/85/37/26/1060853726.db2.gz UFIGKSDBHCNRMV-ONEGZZNKSA-N 1 0 301.173 4.124 20 5 DIBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC001462169744 1060987354 /nfs/dbraw/zinc/98/73/54/1060987354.db2.gz AXKOGKDXFPBQFD-FRRDWIJNSA-N 1 0 310.825 4.410 20 5 DIBDRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001462210513 1061029552 /nfs/dbraw/zinc/02/95/52/1061029552.db2.gz KXQAFVILXPHQJF-QRTARXTBSA-N 1 0 302.418 4.084 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC(C)(C)C1 ZINC001462220105 1061036507 /nfs/dbraw/zinc/03/65/07/1061036507.db2.gz NYIVNTDHLVSWHW-HNNXBMFYSA-N 1 0 304.434 4.286 20 5 DIBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1CCC1CCCCC1 ZINC001473279046 1061051563 /nfs/dbraw/zinc/05/15/63/1061051563.db2.gz QXDDWNGYXDMMCK-KRWDZBQOSA-N 1 0 317.433 4.315 20 5 DIBDRO Cc1cccc(C2=CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001473309713 1061075775 /nfs/dbraw/zinc/07/57/75/1061075775.db2.gz BJBZHTGUMJFGIN-UHFFFAOYSA-N 1 0 322.408 4.235 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCC2 ZINC001473312347 1061078094 /nfs/dbraw/zinc/07/80/94/1061078094.db2.gz IIFUHWTUSGJPQS-GFCCVEGCSA-N 1 0 308.809 4.260 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001473396004 1061133729 /nfs/dbraw/zinc/13/37/29/1061133729.db2.gz PYXISXXBUXAVLQ-UHFFFAOYSA-N 1 0 308.809 4.404 20 5 DIBDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001473415815 1061147654 /nfs/dbraw/zinc/14/76/54/1061147654.db2.gz CXVFBFRNUGTADH-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC(C)(C)C ZINC001473500564 1061193057 /nfs/dbraw/zinc/19/30/57/1061193057.db2.gz FNNMUHXQCAZGMV-UHFFFAOYSA-N 1 0 308.422 4.250 20 5 DIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001473539502 1061233801 /nfs/dbraw/zinc/23/38/01/1061233801.db2.gz PYHMIZLEEXNUMA-OALUTQOASA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001462576785 1061272527 /nfs/dbraw/zinc/27/25/27/1061272527.db2.gz GFNMEBSSPFFTQA-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001462576786 1061273072 /nfs/dbraw/zinc/27/30/72/1061273072.db2.gz GFNMEBSSPFFTQA-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC001473741068 1061385218 /nfs/dbraw/zinc/38/52/18/1061385218.db2.gz JACRMBYGHJMYFK-MRXNPFEDSA-N 1 0 302.418 4.305 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC001473843918 1061431617 /nfs/dbraw/zinc/43/16/17/1061431617.db2.gz OYXNCVCVGLNMDH-BLRBJFNZSA-N 1 0 322.408 4.315 20 5 DIBDRO CCC[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001473857863 1061436282 /nfs/dbraw/zinc/43/62/82/1061436282.db2.gz DWIVDBRNWBHEKP-OAHLLOKOSA-N 1 0 315.373 4.014 20 5 DIBDRO CCC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473859006 1061437060 /nfs/dbraw/zinc/43/70/60/1061437060.db2.gz ARLGAJPLQNQUPJ-HNNXBMFYSA-N 1 0 306.406 4.147 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001251894753 1061526832 /nfs/dbraw/zinc/52/68/32/1061526832.db2.gz CVHUIOZIZQNSPV-CHWSQXEVSA-N 1 0 308.809 4.260 20 5 DIBDRO CCC1(CC)CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001473987234 1061528218 /nfs/dbraw/zinc/52/82/18/1061528218.db2.gz JJMMZMNZCXCAOE-UHFFFAOYSA-N 1 0 320.433 4.442 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)Cc1cccs1 ZINC001474031839 1061574559 /nfs/dbraw/zinc/57/45/59/1061574559.db2.gz YSCROILVWZKEIG-LBPRGKRZSA-N 1 0 318.442 4.242 20 5 DIBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC001458163672 1061607078 /nfs/dbraw/zinc/60/70/78/1061607078.db2.gz AYWWJJAAENKBOO-GOSISDBHSA-N 1 0 317.433 4.051 20 5 DIBDRO CC(C)[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001474098514 1061645270 /nfs/dbraw/zinc/64/52/70/1061645270.db2.gz BUEBRQGGBWPCPE-LJQANCHMSA-N 1 0 312.413 4.167 20 5 DIBDRO CC(C)[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001474098513 1061645654 /nfs/dbraw/zinc/64/56/54/1061645654.db2.gz BUEBRQGGBWPCPE-IBGZPJMESA-N 1 0 312.413 4.167 20 5 DIBDRO Cc1oc(C(C)(C)C)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001474098529 1061646023 /nfs/dbraw/zinc/64/60/23/1061646023.db2.gz DALQNCCHFFGFQJ-UHFFFAOYSA-N 1 0 316.401 4.126 20 5 DIBDRO Cc1cc(Cl)cc(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001474131547 1061676578 /nfs/dbraw/zinc/67/65/78/1061676578.db2.gz MEMYJXYASXHDIJ-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC001474158680 1061700714 /nfs/dbraw/zinc/70/07/14/1061700714.db2.gz TZZSJBDAPODTFT-ZDUSSCGKSA-N 1 0 312.360 4.127 20 5 DIBDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001474206134 1061760528 /nfs/dbraw/zinc/76/05/28/1061760528.db2.gz WWNDZTUVHGLFFL-QGZVFWFLSA-N 1 0 316.376 4.153 20 5 DIBDRO C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001474283986 1061853352 /nfs/dbraw/zinc/85/33/52/1061853352.db2.gz XSFHEMLFGLBVRC-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO C[N@H+](CCCc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001474355126 1061969598 /nfs/dbraw/zinc/96/95/98/1061969598.db2.gz HLXVMDHFOGDCLU-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001474405502 1062069808 /nfs/dbraw/zinc/06/98/08/1062069808.db2.gz WVHOJFBTDQWOPX-JKSUJKDBSA-N 1 0 302.418 4.224 20 5 DIBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001459420666 1062138400 /nfs/dbraw/zinc/13/84/00/1062138400.db2.gz UAVPBILEANSXNV-MRXNPFEDSA-N 1 0 320.433 4.393 20 5 DIBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001459420664 1062138764 /nfs/dbraw/zinc/13/87/64/1062138764.db2.gz UAVPBILEANSXNV-INIZCTEOSA-N 1 0 320.433 4.393 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001254532357 1062163113 /nfs/dbraw/zinc/16/31/13/1062163113.db2.gz NNRMFALFFZMPCB-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(F)F)c1 ZINC001254531231 1062164832 /nfs/dbraw/zinc/16/48/32/1062164832.db2.gz CEWNCGFTXGOVBF-GFCCVEGCSA-N 1 0 320.339 4.253 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC001254540047 1062167087 /nfs/dbraw/zinc/16/70/87/1062167087.db2.gz OTVJLDDYMNNGAL-HBUWYVDXSA-N 1 0 310.397 4.364 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001254540780 1062167325 /nfs/dbraw/zinc/16/73/25/1062167325.db2.gz WIWNFQHETVVLMJ-ZDUSSCGKSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc2ccccc2o1 ZINC001254539696 1062167429 /nfs/dbraw/zinc/16/74/29/1062167429.db2.gz JOPOXTYTOKKYCO-ZDUSSCGKSA-N 1 0 310.353 4.062 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001254541745 1062167544 /nfs/dbraw/zinc/16/75/44/1062167544.db2.gz IYYGJOWYDAMFDE-ZIAGYGMSSA-N 1 0 316.376 4.324 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccc1F ZINC001254541744 1062167802 /nfs/dbraw/zinc/16/78/02/1062167802.db2.gz IYYGJOWYDAMFDE-UONOGXRCSA-N 1 0 316.376 4.324 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001254546453 1062169980 /nfs/dbraw/zinc/16/99/80/1062169980.db2.gz FVDAYIPDNSBTBR-PBHICJAKSA-N 1 0 313.401 4.052 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254543590 1062170418 /nfs/dbraw/zinc/17/04/18/1062170418.db2.gz UDVLOWAPSLXNTE-JKSUJKDBSA-N 1 0 312.413 4.493 20 5 DIBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254544150 1062170438 /nfs/dbraw/zinc/17/04/38/1062170438.db2.gz HZTYZBZYPSSPNK-CVEARBPZSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC2CCC2)CC1 ZINC001254545725 1062170795 /nfs/dbraw/zinc/17/07/95/1062170795.db2.gz OOJIUOXKKBXGPK-CQSZACIVSA-N 1 0 302.418 4.086 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCc1ccccc1 ZINC001254545991 1062170919 /nfs/dbraw/zinc/17/09/19/1062170919.db2.gz FBSRVGDZNDFWNF-INIZCTEOSA-N 1 0 312.413 4.138 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C1CCCCC1 ZINC001254549130 1062173588 /nfs/dbraw/zinc/17/35/88/1062173588.db2.gz RWYUVPVSBROORS-CQSZACIVSA-N 1 0 304.434 4.474 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCc2ccccc2CC1 ZINC001254550994 1062173763 /nfs/dbraw/zinc/17/37/63/1062173763.db2.gz VAJHBOKNEUQPOK-OAHLLOKOSA-N 1 0 324.424 4.063 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1sccc1Cl ZINC001254548219 1062173863 /nfs/dbraw/zinc/17/38/63/1062173863.db2.gz LLGLEIJTMYFMSF-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001254563658 1062179660 /nfs/dbraw/zinc/17/96/60/1062179660.db2.gz AOGVQVPGKSSKRS-HNNXBMFYSA-N 1 0 324.424 4.319 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001254562397 1062180058 /nfs/dbraw/zinc/18/00/58/1062180058.db2.gz LNKOCDQVBGEQOO-WMZOPIPTSA-N 1 0 324.424 4.090 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001254561167 1062180140 /nfs/dbraw/zinc/18/01/40/1062180140.db2.gz FOLSDFXWNUVSTB-QAPCUYQASA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001254564698 1062180530 /nfs/dbraw/zinc/18/05/30/1062180530.db2.gz MKHCFLYIPILYSN-ZMSDIMECSA-N 1 0 302.418 4.038 20 5 DIBDRO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567073 1062184398 /nfs/dbraw/zinc/18/43/98/1062184398.db2.gz WAUGRWPZEFUIHV-AWEZNQCLSA-N 1 0 316.376 4.187 20 5 DIBDRO CCC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254572640 1062186201 /nfs/dbraw/zinc/18/62/01/1062186201.db2.gz RGGMAPFLZFSWBS-HOCLYGCPSA-N 1 0 316.426 4.255 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC001254571449 1062186488 /nfs/dbraw/zinc/18/64/88/1062186488.db2.gz VUWLJMVLJUQEFH-GOSISDBHSA-N 1 0 318.376 4.005 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC001254571735 1062187377 /nfs/dbraw/zinc/18/73/77/1062187377.db2.gz BBLCKHVHNBMQTJ-BDJLRTHQSA-N 1 0 316.788 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC001254583645 1062188926 /nfs/dbraw/zinc/18/89/26/1062188926.db2.gz NOIUWYKPSODVMI-OAHLLOKOSA-N 1 0 324.405 4.067 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(C)c1 ZINC001254577861 1062189898 /nfs/dbraw/zinc/18/98/98/1062189898.db2.gz HEXOCEHGILAWEL-PKOBYXMFSA-N 1 0 310.397 4.111 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3sccc31)C2 ZINC001254578206 1062190184 /nfs/dbraw/zinc/19/01/84/1062190184.db2.gz BNTZOVNZUMZQFD-OAHLLOKOSA-N 1 0 324.405 4.067 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@H]1c1ccccc1)C2 ZINC001254597267 1062196651 /nfs/dbraw/zinc/19/66/51/1062196651.db2.gz GQMNDHXELBYCLV-VQTJNVASSA-N 1 0 322.408 4.289 20 5 DIBDRO CC[C@@H]1CCCC[C@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001474516715 1062200572 /nfs/dbraw/zinc/20/05/72/1062200572.db2.gz LEDVSEBXIAUQIL-WBVHZDCISA-N 1 0 304.434 4.286 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC001474560189 1062266684 /nfs/dbraw/zinc/26/66/84/1062266684.db2.gz HPMSKMAKQJFKTP-JZUUQJBKSA-N 1 0 300.402 4.119 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001474599704 1062312714 /nfs/dbraw/zinc/31/27/14/1062312714.db2.gz RMOYTVYETVTEBK-SPRNKHAWSA-N 1 0 300.402 4.263 20 5 DIBDRO CC(C)C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)C ZINC001459772289 1062388569 /nfs/dbraw/zinc/38/85/69/1062388569.db2.gz ZHRSNOVBLIWQFX-UHFFFAOYSA-N 1 0 314.376 4.377 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001459800681 1062409824 /nfs/dbraw/zinc/40/98/24/1062409824.db2.gz PBIPUVORMNPUIV-GJZGRUSLSA-N 1 0 320.433 4.168 20 5 DIBDRO Cc1ccc(CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001459802900 1062410803 /nfs/dbraw/zinc/41/08/03/1062410803.db2.gz DAKCOPYAIUQSKC-UHFFFAOYSA-N 1 0 324.424 4.358 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC001474694894 1062424076 /nfs/dbraw/zinc/42/40/76/1062424076.db2.gz BOHFUIHKDRXJOD-NWDGAFQWSA-N 1 0 320.339 4.327 20 5 DIBDRO CC[C@@H](Cc1cccs1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001474694584 1062424439 /nfs/dbraw/zinc/42/44/39/1062424439.db2.gz IYVPLWSLCRZHRT-OLZOCXBDSA-N 1 0 304.415 4.328 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001474703491 1062429816 /nfs/dbraw/zinc/42/98/16/1062429816.db2.gz GFNMEBSSPFFTQA-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1cc(C)cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC001459884229 1062471765 /nfs/dbraw/zinc/47/17/65/1062471765.db2.gz OZSNVGYPQXPSEN-UHFFFAOYSA-N 1 0 310.397 4.376 20 5 DIBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC001459967356 1062534447 /nfs/dbraw/zinc/53/44/47/1062534447.db2.gz MAGJBUQYDPJCRY-BBRMVZONSA-N 1 0 306.406 4.004 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001460077133 1062617553 /nfs/dbraw/zinc/61/75/53/1062617553.db2.gz TURXYXGQRPSDCN-BEFAXECRSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC001460156509 1062669880 /nfs/dbraw/zinc/66/98/80/1062669880.db2.gz DKYSENFGFHGIRJ-AWEZNQCLSA-N 1 0 310.397 4.366 20 5 DIBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC001460207561 1062699902 /nfs/dbraw/zinc/69/99/02/1062699902.db2.gz VDSORYWJDUPAOF-INIZCTEOSA-N 1 0 316.426 4.282 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CCC1 ZINC001460223376 1062709360 /nfs/dbraw/zinc/70/93/60/1062709360.db2.gz IHUDOFBWZWBCEH-OAHLLOKOSA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1cccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC001460607966 1062932687 /nfs/dbraw/zinc/93/26/87/1062932687.db2.gz MNEZIWBYCXRCMH-IBGZPJMESA-N 1 0 312.413 4.433 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC001460870711 1063108355 /nfs/dbraw/zinc/10/83/55/1063108355.db2.gz HQFQFMFSGQVFNM-DXRVJIQQSA-N 1 0 308.381 4.273 20 5 DIBDRO CC(C)[NH+](CCCNc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC001472716072 1063174542 /nfs/dbraw/zinc/17/45/42/1063174542.db2.gz CVUTVTWYQCJBRS-UHFFFAOYSA-N 1 0 313.829 4.169 20 5 DIBDRO CCc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC001461045303 1063212042 /nfs/dbraw/zinc/21/20/42/1063212042.db2.gz RWNDHUHOECEHNS-UHFFFAOYSA-N 1 0 304.415 4.125 20 5 DIBDRO CC(C)c1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC001461064354 1063227899 /nfs/dbraw/zinc/22/78/99/1063227899.db2.gz PDQYUCXSGLEZLD-NSHDSACASA-N 1 0 305.403 4.026 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC001461063185 1063228661 /nfs/dbraw/zinc/22/86/61/1063228661.db2.gz DREDHXIXVLUMSJ-RDTXWAMCSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC001461162051 1063301798 /nfs/dbraw/zinc/30/17/98/1063301798.db2.gz XRWTYUJZNVOUPI-HNNXBMFYSA-N 1 0 320.433 4.170 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC001461165169 1063302906 /nfs/dbraw/zinc/30/29/06/1063302906.db2.gz FDZZMZAPPLOREK-ZBFHGGJFSA-N 1 0 320.433 4.298 20 5 DIBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001461269138 1063382047 /nfs/dbraw/zinc/38/20/47/1063382047.db2.gz ZNTWINOBZDUQAV-NVXWUHKLSA-N 1 0 304.434 4.333 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC001461355040 1063436973 /nfs/dbraw/zinc/43/69/73/1063436973.db2.gz OPCUFUMAKCEXCQ-LJQANCHMSA-N 1 0 310.397 4.324 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC001461424128 1063491992 /nfs/dbraw/zinc/49/19/92/1063491992.db2.gz ULFNRUANODQUDX-LBPRGKRZSA-N 1 0 319.430 4.068 20 5 DIBDRO CC1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001461483136 1063530802 /nfs/dbraw/zinc/53/08/02/1063530802.db2.gz AIOXVPSPJNDYCH-UHFFFAOYSA-N 1 0 316.323 4.282 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C=CCC3)s2)cc1 ZINC001461618837 1063616395 /nfs/dbraw/zinc/61/63/95/1063616395.db2.gz QOHHLJLGZQZKOU-ZDUSSCGKSA-N 1 0 300.383 4.132 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccccc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC001461789819 1063719018 /nfs/dbraw/zinc/71/90/18/1063719018.db2.gz SGUCUUYZJXRHKI-AWEZNQCLSA-N 1 0 310.397 4.366 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC001461980241 1063856758 /nfs/dbraw/zinc/85/67/58/1063856758.db2.gz XFKCQZOXLSDWHP-XCRHUMRWSA-N 1 0 302.418 4.304 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCC1CCCCC1 ZINC001461987932 1063859782 /nfs/dbraw/zinc/85/97/82/1063859782.db2.gz CFTKIVCSTALUEN-AWEZNQCLSA-N 1 0 320.433 4.442 20 5 DIBDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001461999320 1063870587 /nfs/dbraw/zinc/87/05/87/1063870587.db2.gz QNXIXMVTANYRIY-KZULUSFZSA-N 1 0 314.360 4.147 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001462015463 1063877752 /nfs/dbraw/zinc/87/77/52/1063877752.db2.gz UOMPTOLEWFQZFA-UONOGXRCSA-N 1 0 310.825 4.205 20 5 DIBDRO CCCC[N@H+](CC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001462018218 1063877761 /nfs/dbraw/zinc/87/77/61/1063877761.db2.gz ZHXUPGOMVNZCJG-UHFFFAOYSA-N 1 0 321.240 4.041 20 5 DIBDRO CCCc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000598635191 1064164451 /nfs/dbraw/zinc/16/44/51/1064164451.db2.gz BRFWSEYGWISIKW-LBPRGKRZSA-N 1 0 304.415 4.460 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCc1ccccc1)CC2 ZINC000653748038 1064723091 /nfs/dbraw/zinc/72/30/91/1064723091.db2.gz ZCIHOOYQUGPXHZ-IBGZPJMESA-N 1 0 324.424 4.065 20 5 DIBDRO O=[N+]([O-])c1ccsc1NCCCCCCC[NH+]1CCCC1 ZINC001306943881 1065215242 /nfs/dbraw/zinc/21/52/42/1065215242.db2.gz AJZYCNAUOGCRID-UHFFFAOYSA-N 1 0 311.451 4.115 20 5 DIBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC001307132374 1065278507 /nfs/dbraw/zinc/27/85/07/1065278507.db2.gz KBEYSBKRWMSCBS-LLVKDONJSA-N 1 0 315.364 4.065 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001307420729 1065383682 /nfs/dbraw/zinc/38/36/82/1065383682.db2.gz QMHDIIVKEUGJLL-KRWDZBQOSA-N 1 0 314.360 4.379 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307443326 1065404050 /nfs/dbraw/zinc/40/40/50/1065404050.db2.gz BANNLDFLWOYMFM-CQSZACIVSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cs1 ZINC001307537359 1065470373 /nfs/dbraw/zinc/47/03/73/1065470373.db2.gz CUNWQNOCTYXHEH-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO CC(C)C[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307558801 1065481742 /nfs/dbraw/zinc/48/17/42/1065481742.db2.gz SIQJJUHJKHBYST-KRWDZBQOSA-N 1 0 320.433 4.264 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001307615490 1065519461 /nfs/dbraw/zinc/51/94/61/1065519461.db2.gz BBHBQHFMTAOHJT-HOCLYGCPSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC001307635551 1065532589 /nfs/dbraw/zinc/53/25/89/1065532589.db2.gz OBVQCGMSVMUEKO-CQSZACIVSA-N 1 0 310.397 4.243 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001307722687 1065585674 /nfs/dbraw/zinc/58/56/74/1065585674.db2.gz XBEXQFIVWQXPLL-ZDUSSCGKSA-N 1 0 306.406 4.004 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001308122826 1065770336 /nfs/dbraw/zinc/77/03/36/1065770336.db2.gz WNALDCPKFBLDIA-HOCLYGCPSA-N 1 0 320.820 4.259 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)cc1C ZINC001308229444 1065837213 /nfs/dbraw/zinc/83/72/13/1065837213.db2.gz FUELQZQQNSZRCD-VBKFSLOCSA-N 1 0 324.424 4.447 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC12CCC(CC1)C2 ZINC001308357012 1065936100 /nfs/dbraw/zinc/93/61/00/1065936100.db2.gz DMNHJJNHYNFUAQ-ZROIWOOFSA-N 1 0 300.402 4.168 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC001308362171 1065940701 /nfs/dbraw/zinc/94/07/01/1065940701.db2.gz ITTBKQWRAITCRV-GFCCVEGCSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC001308382629 1065954168 /nfs/dbraw/zinc/95/41/68/1065954168.db2.gz PGKLCVMUAMUHGP-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC001308445076 1065992825 /nfs/dbraw/zinc/99/28/25/1065992825.db2.gz PHUXRZCIBUGRFQ-GOSISDBHSA-N 1 0 323.396 4.005 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C(C)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC001308471377 1066011544 /nfs/dbraw/zinc/01/15/44/1066011544.db2.gz KQNYCNMSLYJHTC-UHFFFAOYSA-N 1 0 302.418 4.387 20 5 DIBDRO Cc1scc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1C ZINC001308571197 1066081878 /nfs/dbraw/zinc/08/18/78/1066081878.db2.gz SGUCBRDPGNKEHG-UHFFFAOYSA-N 1 0 316.426 4.438 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)c1ccc([N+](=O)[O-])cc1 ZINC000903287821 1066103404 /nfs/dbraw/zinc/10/34/04/1066103404.db2.gz QXHOGJHTYPQFHN-MNOVXSKESA-N 1 0 320.776 4.366 20 5 DIBDRO CC(C)[C@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001308596647 1066109047 /nfs/dbraw/zinc/10/90/47/1066109047.db2.gz XHZRSBHQFSDOLV-IBGZPJMESA-N 1 0 310.397 4.350 20 5 DIBDRO C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001308596641 1066109173 /nfs/dbraw/zinc/10/91/73/1066109173.db2.gz XCQOBNKNKLJKDK-WOJBJXKFSA-N 1 0 322.408 4.421 20 5 DIBDRO Cc1ccc([C@H](C)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001308629917 1066126119 /nfs/dbraw/zinc/12/61/19/1066126119.db2.gz NSEJDLWOUFHQRD-OAHLLOKOSA-N 1 0 310.397 4.065 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C)(C(C)C)CC1 ZINC001308705976 1066189559 /nfs/dbraw/zinc/18/95/59/1066189559.db2.gz LPAUKGBTXQYOHB-UHFFFAOYSA-N 1 0 304.434 4.470 20 5 DIBDRO C[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001308786913 1066262089 /nfs/dbraw/zinc/26/20/89/1066262089.db2.gz NHGGKDYOMWAKME-ZDUSSCGKSA-N 1 0 316.376 4.362 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001308791427 1066267583 /nfs/dbraw/zinc/26/75/83/1066267583.db2.gz IUTBJBFNXMLMTG-WMZOPIPTSA-N 1 0 314.429 4.396 20 5 DIBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308821993 1066297141 /nfs/dbraw/zinc/29/71/41/1066297141.db2.gz YBKXKWFIZLZKHR-SNVBAGLBSA-N 1 0 316.323 4.234 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC001308843000 1066319256 /nfs/dbraw/zinc/31/92/56/1066319256.db2.gz GGESNYDQGPUKHN-WMLDXEAASA-N 1 0 314.429 4.228 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCCC1CC1 ZINC001308903718 1066382175 /nfs/dbraw/zinc/38/21/75/1066382175.db2.gz JXMSQNGQTWUBTL-AEFFLSMTSA-N 1 0 316.445 4.476 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCCC1CC1 ZINC001308903722 1066382347 /nfs/dbraw/zinc/38/23/47/1066382347.db2.gz JXMSQNGQTWUBTL-SJLPKXTDSA-N 1 0 316.445 4.476 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCCC1CC1 ZINC001308903720 1066383348 /nfs/dbraw/zinc/38/33/48/1066383348.db2.gz JXMSQNGQTWUBTL-FUHWJXTLSA-N 1 0 316.445 4.476 20 5 DIBDRO CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001308904424 1066384102 /nfs/dbraw/zinc/38/41/02/1066384102.db2.gz VIKKSTKAMHYJGS-CQSZACIVSA-N 1 0 304.415 4.076 20 5 DIBDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001308928868 1066403491 /nfs/dbraw/zinc/40/34/91/1066403491.db2.gz MNYBZKGAZHHRMF-IAOVAPTHSA-N 1 0 320.433 4.229 20 5 DIBDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001308928870 1066403617 /nfs/dbraw/zinc/40/36/17/1066403617.db2.gz MNYBZKGAZHHRMF-RRQGHBQHSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000182682245 335000264 /nfs/dbraw/zinc/00/02/64/335000264.db2.gz LDQSTAOGMMRGIT-HNNXBMFYSA-N 1 0 320.433 4.101 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000040518027 183090476 /nfs/dbraw/zinc/09/04/76/183090476.db2.gz BVUVDXPPUNCDKZ-ZJUUUORDSA-N 1 0 305.403 4.080 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])cc1 ZINC000061359969 184168681 /nfs/dbraw/zinc/16/86/81/184168681.db2.gz XKBFJSKLYFGYKP-XHDPSFHLSA-N 1 0 302.399 4.385 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000297361760 533111185 /nfs/dbraw/zinc/11/11/85/533111185.db2.gz PVJIOKVQPOEAOB-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000297361765 533172763 /nfs/dbraw/zinc/17/27/63/533172763.db2.gz PVJIOKVQPOEAOB-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000297283845 132007916 /nfs/dbraw/zinc/00/79/16/132007916.db2.gz LKTJFFAOSPCNLZ-IINYFYTJSA-N 1 0 317.414 4.088 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000119649413 132135246 /nfs/dbraw/zinc/13/52/46/132135246.db2.gz VBSIVVHMHXQFFI-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000119649083 132135355 /nfs/dbraw/zinc/13/53/55/132135355.db2.gz VBSIVVHMHXQFFI-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120220848 132143387 /nfs/dbraw/zinc/14/33/87/132143387.db2.gz IXAKIODQOVIDQU-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000120785925 132150879 /nfs/dbraw/zinc/15/08/79/132150879.db2.gz YRTSIVFSZRFKJZ-DOMZBBRYSA-N 1 0 300.358 4.224 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000035009651 331465595 /nfs/dbraw/zinc/46/55/95/331465595.db2.gz JZVSEUJAYMQKQT-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000035055403 331467648 /nfs/dbraw/zinc/46/76/48/331467648.db2.gz YWWVYDZSILMDPB-INIZCTEOSA-N 1 0 304.777 4.489 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918544 331917854 /nfs/dbraw/zinc/91/78/54/331917854.db2.gz CAFZSWVLEJLNOE-ACJLOTCBSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)cc1[N+](=O)[O-] ZINC000449460173 332221658 /nfs/dbraw/zinc/22/16/58/332221658.db2.gz MRANBMNFDAVJGV-YPMHNXCESA-N 1 0 316.323 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc32)c(Cl)c1 ZINC000049963430 332331130 /nfs/dbraw/zinc/33/11/30/332331130.db2.gz PYZPODASHBBZSN-INIZCTEOSA-N 1 0 302.761 4.025 20 5 DIBDRO C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000560908479 332393263 /nfs/dbraw/zinc/39/32/63/332393263.db2.gz KGBGBFGMIRLGHX-HNNXBMFYSA-N 1 0 310.397 4.268 20 5 DIBDRO C[C@@H](Cc1ccsc1)[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000562387040 332588327 /nfs/dbraw/zinc/58/83/27/332588327.db2.gz AKJWKWXKESCBFT-LBPRGKRZSA-N 1 0 304.415 4.112 20 5 DIBDRO C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000462543683 332979333 /nfs/dbraw/zinc/97/93/33/332979333.db2.gz USAGZGLEPJICNX-YVEFUNNKSA-N 1 0 316.426 4.460 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178665696 333018253 /nfs/dbraw/zinc/01/82/53/333018253.db2.gz VYELCXGBZGHPBH-NSHDSACASA-N 1 0 306.312 4.383 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000378866712 333057818 /nfs/dbraw/zinc/05/78/18/333057818.db2.gz CHBCOJSSIFTYSH-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccc3ccccc3c2)c1 ZINC000518772766 333089531 /nfs/dbraw/zinc/08/95/31/333089531.db2.gz AUWVCLQPZMVOCL-UHFFFAOYSA-N 1 0 306.365 4.080 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCF)s2)cc1 ZINC000462860322 333125956 /nfs/dbraw/zinc/12/59/56/333125956.db2.gz OFLSDMMYOBIUJX-UHFFFAOYSA-N 1 0 308.378 4.163 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000318615132 333194356 /nfs/dbraw/zinc/19/43/56/333194356.db2.gz REACPENXSGAIQU-MRXNPFEDSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000318666659 333200627 /nfs/dbraw/zinc/20/06/27/333200627.db2.gz YSNCUIWXLSBLBV-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1csc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000319043446 333249254 /nfs/dbraw/zinc/24/92/54/333249254.db2.gz AWUKUXFKGXLCOK-MRXNPFEDSA-N 1 0 319.430 4.033 20 5 DIBDRO CC1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000531206144 333330300 /nfs/dbraw/zinc/33/03/00/333330300.db2.gz PDSKQMCZQUHNLY-UHFFFAOYSA-N 1 0 302.399 4.211 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000122042193 333390903 /nfs/dbraw/zinc/39/09/03/333390903.db2.gz FWCAEDUXYSEFJH-SUMWQHHRSA-N 1 0 314.385 4.405 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000061359996 333427613 /nfs/dbraw/zinc/42/76/13/333427613.db2.gz NYBNJQXIUGPYPX-AWEZNQCLSA-N 1 0 322.817 4.477 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414282422 333933271 /nfs/dbraw/zinc/93/32/71/333933271.db2.gz NTAZAYJVMUPLOD-RYUDHWBXSA-N 1 0 318.339 4.094 20 5 DIBDRO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1C(F)(F)F ZINC000414307854 333936720 /nfs/dbraw/zinc/93/67/20/333936720.db2.gz HNOZVDCHRSZHCA-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1c(C)cccc1C ZINC000430225203 334002771 /nfs/dbraw/zinc/00/27/71/334002771.db2.gz LIQAPHAXEQXTQR-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000271651746 334024900 /nfs/dbraw/zinc/02/49/00/334024900.db2.gz BGAZKQXIHLRDDI-MNOVXSKESA-N 1 0 319.430 4.334 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000187699790 334271064 /nfs/dbraw/zinc/27/10/64/334271064.db2.gz HVZXXBOEQKGDQZ-OAHLLOKOSA-N 1 0 320.414 4.296 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000048548648 334289596 /nfs/dbraw/zinc/28/95/96/334289596.db2.gz SPETYEAUPUXTIA-GFCCVEGCSA-N 1 0 304.415 4.166 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000531945879 334301080 /nfs/dbraw/zinc/30/10/80/334301080.db2.gz KZFJFNDRHYHUAW-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000049155784 334322650 /nfs/dbraw/zinc/32/26/50/334322650.db2.gz KPBRSEQKCYWJBR-OLZOCXBDSA-N 1 0 304.415 4.247 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531969577 334327765 /nfs/dbraw/zinc/32/77/65/334327765.db2.gz WBVBCGXTVHMSQN-UMVBOHGHSA-N 1 0 308.447 4.228 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cc(F)ccc1F ZINC000531994888 334369327 /nfs/dbraw/zinc/36/93/27/334369327.db2.gz LUEGEORRZYNHPH-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cc(F)ccc1F ZINC000531994887 334369395 /nfs/dbraw/zinc/36/93/95/334369395.db2.gz LUEGEORRZYNHPH-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccsc1)CCCC2 ZINC000417333308 334709366 /nfs/dbraw/zinc/70/93/66/334709366.db2.gz YTMCAMTYBNTKKK-MRXNPFEDSA-N 1 0 302.399 4.214 20 5 DIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532207290 335917750 /nfs/dbraw/zinc/91/77/50/335917750.db2.gz KLZYMIYHLNUCFS-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000532224215 335924920 /nfs/dbraw/zinc/92/49/20/335924920.db2.gz VGCWKLVBPRMBBS-WFASDCNBSA-N 1 0 314.410 4.401 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000194384457 338516988 /nfs/dbraw/zinc/51/69/88/338516988.db2.gz HVMUQXJRQYNQLF-NHYWBVRUSA-N 1 0 319.430 4.470 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000532511779 336253014 /nfs/dbraw/zinc/25/30/14/336253014.db2.gz XFPIAGYRMBBYQO-UONOGXRCSA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000532529301 336253715 /nfs/dbraw/zinc/25/37/15/336253715.db2.gz RABGHEPGIHCAOZ-UKRRQHHQSA-N 1 0 316.401 4.477 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3occc31)CCC2 ZINC000192657662 336258206 /nfs/dbraw/zinc/25/82/06/336258206.db2.gz FZONDMWAWFHIMY-IRXDYDNUSA-N 1 0 312.369 4.232 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000192838813 336265351 /nfs/dbraw/zinc/26/53/51/336265351.db2.gz VVQSPABOZPLRGU-WCFLWFBJSA-N 1 0 316.323 4.367 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000527041629 336280721 /nfs/dbraw/zinc/28/07/21/336280721.db2.gz FMPFGXFBDWWWQP-QGZVFWFLSA-N 1 0 320.339 4.156 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301535902 336313147 /nfs/dbraw/zinc/31/31/47/336313147.db2.gz MNOAGPLDTGVUTA-UHFFFAOYSA-N 1 0 323.824 4.067 20 5 DIBDRO Cc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)c2ccccc2[nH+]1 ZINC000301807324 336331429 /nfs/dbraw/zinc/33/14/29/336331429.db2.gz CDZZLPYSKIFRBD-UHFFFAOYSA-N 1 0 319.364 4.014 20 5 DIBDRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000358327908 336624314 /nfs/dbraw/zinc/62/43/14/336624314.db2.gz VBPKGINLJPODEE-LLVKDONJSA-N 1 0 319.430 4.081 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000359315260 336667273 /nfs/dbraw/zinc/66/72/73/336667273.db2.gz SFGHROWYKKYOHH-SCLBCKFNSA-N 1 0 313.401 4.354 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(C)cc1 ZINC000172601708 337130170 /nfs/dbraw/zinc/13/01/70/337130170.db2.gz KXDUDZGYTVPIQZ-QGZVFWFLSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)noc1C ZINC000181770961 337184583 /nfs/dbraw/zinc/18/45/83/337184583.db2.gz RIAMCWROVMHDIN-BZNIZROVSA-N 1 0 317.389 4.310 20 5 DIBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000583314841 337314125 /nfs/dbraw/zinc/31/41/25/337314125.db2.gz WAHAZVNHDXGELC-INIZCTEOSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000536848418 337744282 /nfs/dbraw/zinc/74/42/82/337744282.db2.gz YNUUPSCLDUBKSM-BBLUDWJGSA-N 1 0 322.408 4.140 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000120799793 337880436 /nfs/dbraw/zinc/88/04/36/337880436.db2.gz XHRDWJQZFIPCLS-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000090886335 337886637 /nfs/dbraw/zinc/88/66/37/337886637.db2.gz NUSJJVMRABYVHI-ABAIWWIYSA-N 1 0 317.389 4.310 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000122127923 337908368 /nfs/dbraw/zinc/90/83/68/337908368.db2.gz PWPTWKMANRVQFV-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO COCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000122376870 337916172 /nfs/dbraw/zinc/91/61/72/337916172.db2.gz MGGYIHIOWXMDQT-OAHLLOKOSA-N 1 0 320.433 4.151 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)Cc1ccsc1 ZINC000426491889 338033468 /nfs/dbraw/zinc/03/34/68/338033468.db2.gz LDMCQLRTBFTIIQ-GFCCVEGCSA-N 1 0 322.405 4.249 20 5 DIBDRO CCOC1(C)CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000430091061 338095889 /nfs/dbraw/zinc/09/58/89/338095889.db2.gz VFOIBXFGBQOFKE-UHFFFAOYSA-N 1 0 320.433 4.109 20 5 DIBDRO CSC[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000430200285 338101137 /nfs/dbraw/zinc/10/11/37/338101137.db2.gz UGCCMBJFTYATOY-MBSJSRAVSA-N 1 0 320.458 4.073 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1cccs1)C(C)C ZINC000430231279 338102382 /nfs/dbraw/zinc/10/23/82/338102382.db2.gz XZPIVHVPZQFGRI-UHFFFAOYSA-N 1 0 320.414 4.076 20 5 DIBDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000433156288 338183364 /nfs/dbraw/zinc/18/33/64/338183364.db2.gz ISZMWHDWPWABAW-KRWDZBQOSA-N 1 0 314.360 4.246 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433160698 338183472 /nfs/dbraw/zinc/18/34/72/338183472.db2.gz HYNLGPBGPCSOTL-GOSISDBHSA-N 1 0 310.397 4.415 20 5 DIBDRO CC1(C)C[C@H]([NH2+]CCc2cccs2)c2cc([N+](=O)[O-])ccc21 ZINC000433174022 338183979 /nfs/dbraw/zinc/18/39/79/338183979.db2.gz MAAJGFQRXNNXMY-INIZCTEOSA-N 1 0 316.426 4.211 20 5 DIBDRO CC[C@H](CSC)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433226215 338186660 /nfs/dbraw/zinc/18/66/60/338186660.db2.gz FQZLOFTVLKWBQA-IAQYHMDHSA-N 1 0 308.447 4.048 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCCC2 ZINC000153369319 338223302 /nfs/dbraw/zinc/22/33/02/338223302.db2.gz SGMMPXPKTNWQPW-GFCCVEGCSA-N 1 0 316.426 4.386 20 5 DIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000434894089 338227001 /nfs/dbraw/zinc/22/70/01/338227001.db2.gz DGOFRAVZBBHROH-DNVCBOLYSA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000436274160 338264876 /nfs/dbraw/zinc/26/48/76/338264876.db2.gz KQPFJSZBNUEOAF-NSHDSACASA-N 1 0 313.332 4.066 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000437099224 338300782 /nfs/dbraw/zinc/30/07/82/338300782.db2.gz QKNLIOHXRGUWAK-GWCFXTLKSA-N 1 0 304.312 4.222 20 5 DIBDRO CSCC1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000449420321 338622900 /nfs/dbraw/zinc/62/29/00/338622900.db2.gz FBNCBBSJMQMGIN-XQRVVYSFSA-N 1 0 320.458 4.119 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC1(F)F ZINC000449495957 338631515 /nfs/dbraw/zinc/63/15/15/338631515.db2.gz PAZLSNGHKKOPTF-ICDLMJIXSA-N 1 0 310.344 4.023 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000194619693 338646665 /nfs/dbraw/zinc/64/66/65/338646665.db2.gz SOQCKJWZXNKYMA-NSHDSACASA-N 1 0 322.311 4.047 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000163361993 338732210 /nfs/dbraw/zinc/73/22/10/338732210.db2.gz FPXFCUWYIFUMMC-WDEREUQCSA-N 1 0 304.312 4.367 20 5 DIBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2sccc21 ZINC000453138553 338798508 /nfs/dbraw/zinc/79/85/08/338798508.db2.gz AOQHHXCCZFQMCN-XHDPSFHLSA-N 1 0 302.399 4.385 20 5 DIBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000453156759 338800769 /nfs/dbraw/zinc/80/07/69/338800769.db2.gz WRYSNPHVHNCQFO-SFHVURJKSA-N 1 0 313.401 4.053 20 5 DIBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453250758 338814298 /nfs/dbraw/zinc/81/42/98/338814298.db2.gz YZHPRRRIZQMDRT-IYOUNJFTSA-N 1 0 314.385 4.022 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453327667 338825609 /nfs/dbraw/zinc/82/56/09/338825609.db2.gz ZPYRZQISZUJVGW-FHLIZLRMSA-N 1 0 320.433 4.087 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453406308 338839255 /nfs/dbraw/zinc/83/92/55/338839255.db2.gz FOBARSMCLJAMQK-YOEHRIQHSA-N 1 0 320.433 4.231 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453406307 338839265 /nfs/dbraw/zinc/83/92/65/338839265.db2.gz FOBARSMCLJAMQK-WMLDXEAASA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000459774093 339047788 /nfs/dbraw/zinc/04/77/88/339047788.db2.gz VZPSYHHNORAXTR-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000462757819 339087176 /nfs/dbraw/zinc/08/71/76/339087176.db2.gz BVIGPZUHBICOCM-UHFFFAOYSA-N 1 0 316.376 4.155 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000464725128 339150132 /nfs/dbraw/zinc/15/01/32/339150132.db2.gz MCPAXQAKZQHKKU-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000464781278 339153405 /nfs/dbraw/zinc/15/34/05/339153405.db2.gz XXAPCKZLKPPIAX-HUUCEWRRSA-N 1 0 308.447 4.009 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000466402663 339202720 /nfs/dbraw/zinc/20/27/20/339202720.db2.gz ZJWFKPXFKMKXBO-HDJSIYSDSA-N 1 0 302.399 4.001 20 5 DIBDRO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000467276371 339229592 /nfs/dbraw/zinc/22/95/92/339229592.db2.gz AUAXFRHKOHHJLV-HOTGVXAUSA-N 1 0 320.433 4.103 20 5 DIBDRO CCO[C@H](CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000467776624 339246599 /nfs/dbraw/zinc/24/65/99/339246599.db2.gz JCGLMIXLUREJGB-GOSISDBHSA-N 1 0 322.449 4.259 20 5 DIBDRO C[C@@H]([NH2+]CCSCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000467847422 339247595 /nfs/dbraw/zinc/24/75/95/339247595.db2.gz YBUJXFUXXGMWSJ-CQSZACIVSA-N 1 0 316.426 4.179 20 5 DIBDRO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)c21 ZINC000467869315 339248207 /nfs/dbraw/zinc/24/82/07/339248207.db2.gz SYFSYFSYYJIQOL-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000467971444 339250245 /nfs/dbraw/zinc/25/02/45/339250245.db2.gz UIPLPKKTGIEZTI-LBPRGKRZSA-N 1 0 304.415 4.112 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000467979404 339250284 /nfs/dbraw/zinc/25/02/84/339250284.db2.gz ACQSUXVSJAAJTH-HNNXBMFYSA-N 1 0 312.413 4.093 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000468000658 339250899 /nfs/dbraw/zinc/25/08/99/339250899.db2.gz QVCGEMORRKKDIO-INIZCTEOSA-N 1 0 320.339 4.156 20 5 DIBDRO CCSc1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000468006111 339250992 /nfs/dbraw/zinc/25/09/92/339250992.db2.gz QEWGUIOMEFPINF-UHFFFAOYSA-N 1 0 316.426 4.039 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000468010417 339251107 /nfs/dbraw/zinc/25/11/07/339251107.db2.gz XZQZEGPMFZZULP-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO CCS[C@H]1CCCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000468229968 339256777 /nfs/dbraw/zinc/25/67/77/339256777.db2.gz JKFYTNXDIMGOAI-KBPBESRZSA-N 1 0 308.447 4.263 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000468608457 339267070 /nfs/dbraw/zinc/26/70/70/339267070.db2.gz MLIBIHWDSVUGOQ-UVTDQMKNSA-N 1 0 321.380 4.269 20 5 DIBDRO CSCCCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468603034 339267110 /nfs/dbraw/zinc/26/71/10/339267110.db2.gz QRSREMXBDNPBIH-SDNWHVSQSA-N 1 0 308.447 4.121 20 5 DIBDRO CCO[C@H](CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468745073 339269759 /nfs/dbraw/zinc/26/97/59/339269759.db2.gz PRXQTSQDPWSJFA-VHUCWBOISA-N 1 0 320.433 4.039 20 5 DIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000469794235 339300428 /nfs/dbraw/zinc/30/04/28/339300428.db2.gz OHTVLQQDILGETK-XNRPHZJLSA-N 1 0 308.447 4.310 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2sccc2C1 ZINC000470169538 339312501 /nfs/dbraw/zinc/31/25/01/339312501.db2.gz GBSNXGJOXJVBLX-LCYFTJDESA-N 1 0 314.410 4.118 20 5 DIBDRO C[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000470361467 339318144 /nfs/dbraw/zinc/31/81/44/339318144.db2.gz DJAOVNANHNCGRB-ZDUSSCGKSA-N 1 0 318.804 4.184 20 5 DIBDRO CCSc1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000472078036 339362791 /nfs/dbraw/zinc/36/27/91/339362791.db2.gz ZUWOIUJSGGTKDX-UHFFFAOYSA-N 1 0 316.426 4.039 20 5 DIBDRO Cc1ccc(SC[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000472149585 339364421 /nfs/dbraw/zinc/36/44/21/339364421.db2.gz AASGVENCJZMCOO-CQSZACIVSA-N 1 0 316.426 4.174 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000475563715 339455494 /nfs/dbraw/zinc/45/54/94/339455494.db2.gz KBRJYUPRYLXFFE-RDJZCZTQSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)cs1 ZINC000479878149 339552428 /nfs/dbraw/zinc/55/24/28/339552428.db2.gz ZKVMCJDMBNMHQA-UHFFFAOYSA-N 1 0 320.389 4.050 20 5 DIBDRO Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000481033031 339593709 /nfs/dbraw/zinc/59/37/09/339593709.db2.gz FUAHJHKITZAUPT-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000481041342 339593972 /nfs/dbraw/zinc/59/39/72/339593972.db2.gz PLULKOFKWGWSRZ-OCCSQVGLSA-N 1 0 316.376 4.324 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CSc3ccccc32)cccc1[N+](=O)[O-] ZINC000483174549 339655083 /nfs/dbraw/zinc/65/50/83/339655083.db2.gz QZPNZNMIKYKARI-WFASDCNBSA-N 1 0 314.410 4.401 20 5 DIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000484313976 339684671 /nfs/dbraw/zinc/68/46/71/339684671.db2.gz VKHGRKCGDCXPFB-APHBMKBZSA-N 1 0 308.447 4.310 20 5 DIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000484313981 339684757 /nfs/dbraw/zinc/68/47/57/339684757.db2.gz VKHGRKCGDCXPFB-VBNZEHGJSA-N 1 0 308.447 4.310 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000484488947 339687694 /nfs/dbraw/zinc/68/76/94/339687694.db2.gz VSYIAACELXXCKD-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO CSc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000492048671 339890051 /nfs/dbraw/zinc/89/00/51/339890051.db2.gz QKCOGMBWYFECKY-UHFFFAOYSA-N 1 0 322.455 4.403 20 5 DIBDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000492781984 339908683 /nfs/dbraw/zinc/90/86/83/339908683.db2.gz FKFQMYGPZZDKGJ-ZDUSSCGKSA-N 1 0 302.349 4.017 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000493008790 339914787 /nfs/dbraw/zinc/91/47/87/339914787.db2.gz LIKYMSLFBMSMKY-INIZCTEOSA-N 1 0 314.385 4.234 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCc2ccccc21 ZINC000495440122 339984715 /nfs/dbraw/zinc/98/47/15/339984715.db2.gz OWSBQZJSLXNDOM-INIZCTEOSA-N 1 0 316.788 4.068 20 5 DIBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000500187496 340052427 /nfs/dbraw/zinc/05/24/27/340052427.db2.gz TUKUPCISXUUNQG-FQEVSTJZSA-N 1 0 324.424 4.191 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000500357518 340055637 /nfs/dbraw/zinc/05/56/37/340055637.db2.gz KGYXFOFESGECLJ-JTQLQIEISA-N 1 0 318.751 4.163 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000500374405 340056009 /nfs/dbraw/zinc/05/60/09/340056009.db2.gz FQYNZBKLWUAFAJ-XETPBLJFSA-N 1 0 324.371 4.413 20 5 DIBDRO C[C@H]1C[C@@]1([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000500394591 340056501 /nfs/dbraw/zinc/05/65/01/340056501.db2.gz FGESOMQHNLZSJO-SJCJKPOMSA-N 1 0 316.788 4.273 20 5 DIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2CCC2)cc1[N+](=O)[O-] ZINC000501353615 340079095 /nfs/dbraw/zinc/07/90/95/340079095.db2.gz YPURTHAPOTVMHH-UHFFFAOYSA-N 1 0 311.385 4.005 20 5 DIBDRO C[C@H]1C[C@@]1([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503406555 340127556 /nfs/dbraw/zinc/12/75/56/340127556.db2.gz MGQWXPJFHDGELI-SJCJKPOMSA-N 1 0 316.788 4.273 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cccc1[N+](=O)[O-] ZINC000503709579 340134015 /nfs/dbraw/zinc/13/40/15/340134015.db2.gz QCNPNMKRLMFTBR-OAHLLOKOSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000479459600 340151865 /nfs/dbraw/zinc/15/18/65/340151865.db2.gz XUAMNHBAFOSTTM-AWEZNQCLSA-N 1 0 323.396 4.246 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000505639020 340173924 /nfs/dbraw/zinc/17/39/24/340173924.db2.gz UVWKCLWFUTVRON-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000506676267 340199359 /nfs/dbraw/zinc/19/93/59/340199359.db2.gz OSPPNLOOQYMSIO-LBPRGKRZSA-N 1 0 320.339 4.374 20 5 DIBDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000506831496 340202374 /nfs/dbraw/zinc/20/23/74/340202374.db2.gz YMMKSWQPVPIBLJ-UHFFFAOYSA-N 1 0 302.349 4.145 20 5 DIBDRO Cc1ccc(C[N@@H+](Cc2cccs2)C(C)C)cc1[N+](=O)[O-] ZINC000507021567 340205598 /nfs/dbraw/zinc/20/55/98/340205598.db2.gz NXYNEDXJRBIVPJ-UHFFFAOYSA-N 1 0 304.415 4.375 20 5 DIBDRO CCc1cccnc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000507518270 340223873 /nfs/dbraw/zinc/22/38/73/340223873.db2.gz CKZWTCNMNKOMDX-KGLIPLIRSA-N 1 0 313.401 4.272 20 5 DIBDRO CC[C@@H](C)[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000507695555 340228557 /nfs/dbraw/zinc/22/85/57/340228557.db2.gz WECSTMOXDFZFCA-CYBMUJFWSA-N 1 0 304.415 4.457 20 5 DIBDRO CC[C@H]1C[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000507792577 340231737 /nfs/dbraw/zinc/23/17/37/340231737.db2.gz FODNXZKPFWDQOU-AEFFLSMTSA-N 1 0 320.433 4.010 20 5 DIBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000402563239 340243076 /nfs/dbraw/zinc/24/30/76/340243076.db2.gz LAJNVHLLLXJYAW-VIFPVBQESA-N 1 0 324.730 4.316 20 5 DIBDRO CC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000402605753 340246327 /nfs/dbraw/zinc/24/63/27/340246327.db2.gz PIGKUSCPIAOIJH-QWRGUYRKSA-N 1 0 304.312 4.224 20 5 DIBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1cccs1 ZINC000508708717 340251183 /nfs/dbraw/zinc/25/11/83/340251183.db2.gz DXHSUKPTSZINBI-YVMONPNESA-N 1 0 316.426 4.234 20 5 DIBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)c1ccccc1 ZINC000509009151 340258053 /nfs/dbraw/zinc/25/80/53/340258053.db2.gz XTXKYGKBSAOLAQ-NWDGAFQWSA-N 1 0 320.339 4.155 20 5 DIBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000509552457 340273233 /nfs/dbraw/zinc/27/32/33/340273233.db2.gz BQISGGNLYQEEGY-CQSZACIVSA-N 1 0 314.385 4.192 20 5 DIBDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000302834769 340283299 /nfs/dbraw/zinc/28/32/99/340283299.db2.gz WRHGYJNZHXULBP-HNNXBMFYSA-N 1 0 310.397 4.396 20 5 DIBDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000302834770 340283364 /nfs/dbraw/zinc/28/33/64/340283364.db2.gz WRHGYJNZHXULBP-OAHLLOKOSA-N 1 0 310.397 4.396 20 5 DIBDRO C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511080258 340320241 /nfs/dbraw/zinc/32/02/41/340320241.db2.gz IGBJIFKURFEYQL-LBPRGKRZSA-N 1 0 320.339 4.109 20 5 DIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000303594316 340336483 /nfs/dbraw/zinc/33/64/83/340336483.db2.gz MVNKZAWRGQNAEC-IBGZPJMESA-N 1 0 310.397 4.110 20 5 DIBDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000513073589 340392148 /nfs/dbraw/zinc/39/21/48/340392148.db2.gz CRCGPPJUBMVDLD-ZUZCIYMTSA-N 1 0 320.776 4.396 20 5 DIBDRO Cc1cc2cc(C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000513094310 340393083 /nfs/dbraw/zinc/39/30/83/340393083.db2.gz HKYXUUUFCGOWML-XQRVVYSFSA-N 1 0 321.380 4.188 20 5 DIBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000513099953 340393193 /nfs/dbraw/zinc/39/31/93/340393193.db2.gz DNDVGINDJJEVQI-BXUZGUMPSA-N 1 0 302.399 4.211 20 5 DIBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513106945 340393627 /nfs/dbraw/zinc/39/36/27/340393627.db2.gz SFDPJMIIPWZCKE-ABAIWWIYSA-N 1 0 302.399 4.211 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000513227135 340398420 /nfs/dbraw/zinc/39/84/20/340398420.db2.gz AYUNFQLVIRCMQK-SWLSCSKDSA-N 1 0 302.399 4.239 20 5 DIBDRO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513821658 340426738 /nfs/dbraw/zinc/42/67/38/340426738.db2.gz MYEOBIBIZVPMGP-UNEWFSDZSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000089214365 340466565 /nfs/dbraw/zinc/46/65/65/340466565.db2.gz DZNUZUHZUOTFQP-KPZWWZAWSA-N 1 0 314.360 4.462 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000523016877 340613713 /nfs/dbraw/zinc/61/37/13/340613713.db2.gz JFAHYFPKHFOSBM-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143285 340619104 /nfs/dbraw/zinc/61/91/04/340619104.db2.gz RXUARDRUKXHIDD-YPMHNXCESA-N 1 0 314.838 4.012 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000231884447 340627256 /nfs/dbraw/zinc/62/72/56/340627256.db2.gz NVANYRPECCCSEC-LBPRGKRZSA-N 1 0 304.415 4.378 20 5 DIBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000524114950 340647715 /nfs/dbraw/zinc/64/77/15/340647715.db2.gz VXNZAXOVYUQTCT-OLZOCXBDSA-N 1 0 302.374 4.379 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(C2CC2)CCC1)C1CC1 ZINC000537952769 340792965 /nfs/dbraw/zinc/79/29/65/340792965.db2.gz SFUKLMOUBYLXSH-QGZVFWFLSA-N 1 0 314.429 4.086 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000537978842 340795064 /nfs/dbraw/zinc/79/50/64/340795064.db2.gz IUQUNHOGFSLFEX-UHYGZKCKSA-N 1 0 310.397 4.487 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000539067015 340870003 /nfs/dbraw/zinc/87/00/03/340870003.db2.gz ZCPCHKDKUHSNEC-CABCVRRESA-N 1 0 324.371 4.083 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539083473 340871519 /nfs/dbraw/zinc/87/15/19/340871519.db2.gz NHCKFJWXVDDJDC-KBXCAEBGSA-N 1 0 314.385 4.103 20 5 DIBDRO C[C@@H]([NH2+]CCSc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539275589 340879076 /nfs/dbraw/zinc/87/90/76/340879076.db2.gz UZZNKJSPJIUNLZ-GFCCVEGCSA-N 1 0 320.389 4.177 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000539695033 340896384 /nfs/dbraw/zinc/89/63/84/340896384.db2.gz YUZSFQYHEGKLTC-UHFFFAOYSA-N 1 0 302.399 4.356 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000540167013 340919774 /nfs/dbraw/zinc/91/97/74/340919774.db2.gz XDIBSYFPLJRXOI-GFCCVEGCSA-N 1 0 316.426 4.386 20 5 DIBDRO CC[C@H](CSC)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000540392880 340929132 /nfs/dbraw/zinc/92/91/32/340929132.db2.gz CLKRAXBQGZSFKC-IMJJTQAJSA-N 1 0 322.474 4.037 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000540778379 340945465 /nfs/dbraw/zinc/94/54/65/340945465.db2.gz AXRHEWFQFFGLTR-UXLLHSPISA-N 1 0 320.433 4.148 20 5 DIBDRO CCCC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000542480458 341009325 /nfs/dbraw/zinc/00/93/25/341009325.db2.gz CTECYYFWQWOSJP-QGZVFWFLSA-N 1 0 302.374 4.229 20 5 DIBDRO C[C@H](Cc1ccsc1)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000543058903 341029682 /nfs/dbraw/zinc/02/96/82/341029682.db2.gz RTOOUKREBASRGO-CYBMUJFWSA-N 1 0 316.426 4.252 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000543630486 341052113 /nfs/dbraw/zinc/05/21/13/341052113.db2.gz PSVBGERVTHKERY-UHFFFAOYSA-N 1 0 322.364 4.453 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000131377371 341082894 /nfs/dbraw/zinc/08/28/94/341082894.db2.gz WUMQRNZFICOWDM-RYUDHWBXSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccs1)C(C)C ZINC000544606821 341088573 /nfs/dbraw/zinc/08/85/73/341088573.db2.gz WLVIGMLNQJKFOO-UHFFFAOYSA-N 1 0 304.415 4.375 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000544613647 341089182 /nfs/dbraw/zinc/08/91/82/341089182.db2.gz KAPYUUJUCCCFID-OAHLLOKOSA-N 1 0 302.399 4.302 20 5 DIBDRO COC1CCC(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000544615911 341089332 /nfs/dbraw/zinc/08/93/32/341089332.db2.gz PVHFDTSZQHPPLW-UQPPLGOBSA-N 1 0 320.433 4.149 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000545558512 341130381 /nfs/dbraw/zinc/13/03/81/341130381.db2.gz WKJHLBKGXZDMMP-VIFPVBQESA-N 1 0 310.703 4.069 20 5 DIBDRO CCC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000133224297 341164341 /nfs/dbraw/zinc/16/43/41/341164341.db2.gz FJXHWNWOXBWEIS-UHFFFAOYSA-N 1 0 317.414 4.093 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2cc[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000236698578 341195467 /nfs/dbraw/zinc/19/54/67/341195467.db2.gz LPMKQONRRDUENA-UHFFFAOYSA-N 1 0 309.369 4.101 20 5 DIBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000547286171 341203676 /nfs/dbraw/zinc/20/36/76/341203676.db2.gz QCNLAZHJWYXNCV-UHFFFAOYSA-N 1 0 304.415 4.298 20 5 DIBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000237134064 341207824 /nfs/dbraw/zinc/20/78/24/341207824.db2.gz NVAOEVHQVQPXBQ-CYBMUJFWSA-N 1 0 308.422 4.011 20 5 DIBDRO C[C@H](CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000547398510 341211129 /nfs/dbraw/zinc/21/11/29/341211129.db2.gz NKGGAHMGQRDIHG-AYAUWGRQSA-N 1 0 310.397 4.391 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000547831494 341236154 /nfs/dbraw/zinc/23/61/54/341236154.db2.gz LEAAJBLJHPYPLP-BMGDILEWSA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000080242381 341271462 /nfs/dbraw/zinc/27/14/62/341271462.db2.gz ZHGGYRMTEOTVGZ-AAEUAGOBSA-N 1 0 304.415 4.247 20 5 DIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCC23CCC3)c1 ZINC000549999347 341308539 /nfs/dbraw/zinc/30/85/39/341308539.db2.gz BPMWUSVTAVVSHK-UHFFFAOYSA-N 1 0 314.307 4.132 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3CF)s2)cc1 ZINC000552391913 341390953 /nfs/dbraw/zinc/39/09/53/341390953.db2.gz BYNXUXUVEBPGGV-AWEZNQCLSA-N 1 0 320.389 4.257 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000552923863 341408876 /nfs/dbraw/zinc/40/88/76/341408876.db2.gz XQXFRQYDBNYXSV-XIRDDKMYSA-N 1 0 320.433 4.229 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000554365576 341451513 /nfs/dbraw/zinc/45/15/13/341451513.db2.gz OEABSOAIABHLDD-MLGOLLRUSA-N 1 0 320.458 4.050 20 5 DIBDRO CC(C)C1([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000556230542 341498252 /nfs/dbraw/zinc/49/82/52/341498252.db2.gz NVEIFNBWCQSVLF-ZBFHGGJFSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000266887410 341588906 /nfs/dbraw/zinc/58/89/06/341588906.db2.gz QIARANFNISSMLJ-SDDRHHMPSA-N 1 0 316.323 4.367 20 5 DIBDRO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000577633879 341925987 /nfs/dbraw/zinc/92/59/87/341925987.db2.gz DRAZOXJZPFARHJ-JVPBZIDWSA-N 1 0 310.397 4.439 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000178687532 341961954 /nfs/dbraw/zinc/96/19/54/341961954.db2.gz AWGIHTDNNBZXFK-PXAZEXFGSA-N 1 0 314.360 4.380 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000178729192 341963056 /nfs/dbraw/zinc/96/30/56/341963056.db2.gz GVUPWGBREWRXPY-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CC(C)Oc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193902547 519784315 /nfs/dbraw/zinc/78/43/15/519784315.db2.gz CJJNZLXVGPEYEO-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130545831 522927496 /nfs/dbraw/zinc/92/74/96/522927496.db2.gz WSHWHRHOAOZAKD-IAGOWNOFSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000182215582 525391927 /nfs/dbraw/zinc/39/19/27/525391927.db2.gz VEIQPFMYEXTTKJ-GFCCVEGCSA-N 1 0 300.333 4.074 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000266446059 525583590 /nfs/dbraw/zinc/58/35/90/525583590.db2.gz IHFARJVSXLHAIY-MEDUHNTESA-N 1 0 300.333 4.072 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127482564 525621696 /nfs/dbraw/zinc/62/16/96/525621696.db2.gz ZQSDNRVTQKVHAX-HOCLYGCPSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000181235865 525741075 /nfs/dbraw/zinc/74/10/75/525741075.db2.gz DVJNJIKITKVGIS-NEPJUHHUSA-N 1 0 319.792 4.363 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000127229290 525946167 /nfs/dbraw/zinc/94/61/67/525946167.db2.gz AFCPRGDQFUTPBF-HOCLYGCPSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126612994 526090712 /nfs/dbraw/zinc/09/07/12/526090712.db2.gz IWMCGECEVJTXNL-STQMWFEESA-N 1 0 300.358 4.021 20 5 DIBDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173376178 526339032 /nfs/dbraw/zinc/33/90/32/526339032.db2.gz UCHFUZKHKVTPHA-ZDUSSCGKSA-N 1 0 319.430 4.033 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000297459650 536902054 /nfs/dbraw/zinc/90/20/54/536902054.db2.gz XRUCKNBQRVXUAU-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC001167072815 1035772580 /nfs/dbraw/zinc/77/25/80/1035772580.db2.gz UNSQTIWNKUYDQV-INIZCTEOSA-N 1 0 306.381 4.279 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC001167072816 1035773422 /nfs/dbraw/zinc/77/34/22/1035773422.db2.gz UNSQTIWNKUYDQV-MRXNPFEDSA-N 1 0 306.381 4.279 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000610008607 1036693277 /nfs/dbraw/zinc/69/32/77/1036693277.db2.gz NOBNAUIHBBISKO-KRWDZBQOSA-N 1 0 320.339 4.156 20 5 DIBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC001167356104 1036962834 /nfs/dbraw/zinc/96/28/34/1036962834.db2.gz JKSYBZKBRWYUQV-RYUDHWBXSA-N 1 0 324.396 4.142 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000049963628 1036967859 /nfs/dbraw/zinc/96/78/59/1036967859.db2.gz CRGRMDMXQTVDNC-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579610680 1037102180 /nfs/dbraw/zinc/10/21/80/1037102180.db2.gz BAPBMSXWHXNDGR-LLSQANQASA-N 1 0 308.381 4.105 20 5 DIBDRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119227606 1037218434 /nfs/dbraw/zinc/21/84/34/1037218434.db2.gz KUZVIMLRIOGACT-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000050443731 1037269754 /nfs/dbraw/zinc/26/97/54/1037269754.db2.gz NUHLYZVIVVAYRO-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537853144 1037354570 /nfs/dbraw/zinc/35/45/70/1037354570.db2.gz WFYGAMCVUOUOOJ-IUODEOHRSA-N 1 0 315.373 4.013 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000126116256 1037379582 /nfs/dbraw/zinc/37/95/82/1037379582.db2.gz JKNDUDYTACJFFY-SFHVURJKSA-N 1 0 314.385 4.234 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000276305870 1037691259 /nfs/dbraw/zinc/69/12/59/1037691259.db2.gz KYJKJRZTXDOCNN-QGZVFWFLSA-N 1 0 302.349 4.221 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000610511610 1037765993 /nfs/dbraw/zinc/76/59/93/1037765993.db2.gz OQPITDYSHOWCBV-OCCSQVGLSA-N 1 0 316.323 4.053 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)cs1 ZINC000610511594 1037768567 /nfs/dbraw/zinc/76/85/67/1037768567.db2.gz LZUVSUNZIYQMGI-WDEREUQCSA-N 1 0 322.352 4.115 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3cccnc3c2)cc1[N+](=O)[O-] ZINC000610518236 1037810375 /nfs/dbraw/zinc/81/03/75/1037810375.db2.gz XABJGQVIVULBKY-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000178134392 1037980130 /nfs/dbraw/zinc/98/01/30/1037980130.db2.gz QVPIPZMOVIHTST-ZIAGYGMSSA-N 1 0 316.405 4.092 20 5 DIBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000610581347 1038201831 /nfs/dbraw/zinc/20/18/31/1038201831.db2.gz FMPQYAVLKZLASH-UHFFFAOYSA-N 1 0 317.389 4.279 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599014473 1038220663 /nfs/dbraw/zinc/22/06/63/1038220663.db2.gz QXJLPDUMKMTXHN-UHFFFAOYSA-N 1 0 316.323 4.116 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOC2(C1)CCCCCC2 ZINC000477856111 1038256888 /nfs/dbraw/zinc/25/68/88/1038256888.db2.gz XISQZFNISXOJLA-HNNXBMFYSA-N 1 0 318.417 4.081 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603836894 1038292670 /nfs/dbraw/zinc/29/26/70/1038292670.db2.gz BWKVRFVEECRGKL-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC(F)(F)C3)o2)cc1 ZINC000610787755 1038306592 /nfs/dbraw/zinc/30/65/92/1038306592.db2.gz JXIVMZDUTQSQTC-LBPRGKRZSA-N 1 0 322.311 4.132 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC(F)(F)C2)o1 ZINC000610787844 1038308502 /nfs/dbraw/zinc/30/85/02/1038308502.db2.gz YUJBACICBBKSSJ-NSHDSACASA-N 1 0 322.311 4.132 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000603882147 1038310942 /nfs/dbraw/zinc/31/09/42/1038310942.db2.gz PVIFOILXQVFWGV-MRXNPFEDSA-N 1 0 302.399 4.036 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3sccc32)c(Cl)c1 ZINC000061362088 1038331223 /nfs/dbraw/zinc/33/12/23/1038331223.db2.gz MDRWZBNFHIAIND-CQSZACIVSA-N 1 0 322.817 4.477 20 5 DIBDRO C[C@H](c1ccccc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012573 1038340101 /nfs/dbraw/zinc/34/01/01/1038340101.db2.gz RENLYDOHGOFAHT-OAHLLOKOSA-N 1 0 314.385 4.057 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000320224686 1038354440 /nfs/dbraw/zinc/35/44/40/1038354440.db2.gz ZWPMGKLVKOXLTK-QGZVFWFLSA-N 1 0 320.339 4.156 20 5 DIBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610859422 1038381094 /nfs/dbraw/zinc/38/10/94/1038381094.db2.gz BACSAKFLAAEEII-ZDUSSCGKSA-N 1 0 317.389 4.281 20 5 DIBDRO Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000611561510 1038467772 /nfs/dbraw/zinc/46/77/72/1038467772.db2.gz USFFZHNXTJRSMF-DGCLKSJQSA-N 1 0 316.323 4.066 20 5 DIBDRO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000538720157 1038490857 /nfs/dbraw/zinc/49/08/57/1038490857.db2.gz JTQURSWUDTZRTC-UHFFFAOYSA-N 1 0 300.358 4.229 20 5 DIBDRO CC(C)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001167548846 1038585143 /nfs/dbraw/zinc/58/51/43/1038585143.db2.gz IZAWVYCHLNFLMA-OAHLLOKOSA-N 1 0 320.433 4.250 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000478500670 1038655748 /nfs/dbraw/zinc/65/57/48/1038655748.db2.gz KBPFSOUATUCOGA-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178657401 1038909683 /nfs/dbraw/zinc/90/96/83/1038909683.db2.gz NONARSBPFJSWHW-LXZKKBNFSA-N 1 0 320.433 4.087 20 5 DIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])s1 ZINC000608778810 1038919902 /nfs/dbraw/zinc/91/99/02/1038919902.db2.gz HDWAFFYPHOIGRU-UHFFFAOYSA-N 1 0 319.430 4.109 20 5 DIBDRO Cc1ccc(C[NH2+]CC2(c3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000608837930 1038928696 /nfs/dbraw/zinc/92/86/96/1038928696.db2.gz YHXWGBGMXCRKRJ-UHFFFAOYSA-N 1 0 310.397 4.033 20 5 DIBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000609029894 1038956449 /nfs/dbraw/zinc/95/64/49/1038956449.db2.gz RTUIIPUAWLDOIZ-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000178675615 1038957000 /nfs/dbraw/zinc/95/70/00/1038957000.db2.gz DGWNSMQMAQVEAY-MSOLQXFVSA-N 1 0 314.360 4.462 20 5 DIBDRO CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000178684478 1038976656 /nfs/dbraw/zinc/97/66/56/1038976656.db2.gz NYWAZVGPGKTYDG-GHMZBOCLSA-N 1 0 319.430 4.334 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000178728098 1039055498 /nfs/dbraw/zinc/05/54/98/1039055498.db2.gz SBJRDNPALZXUFX-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)s1 ZINC000035253041 1039075879 /nfs/dbraw/zinc/07/58/79/1039075879.db2.gz SAULLVQSDQCBFY-LBPRGKRZSA-N 1 0 304.415 4.432 20 5 DIBDRO Cc1cc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000535369349 1039195281 /nfs/dbraw/zinc/19/52/81/1039195281.db2.gz SIPXPPHBWSSIEN-SFHVURJKSA-N 1 0 314.360 4.283 20 5 DIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cccc([N+](=O)[O-])c1 ZINC000442881059 1039242572 /nfs/dbraw/zinc/24/25/72/1039242572.db2.gz LQNJFJLKZCAETP-UHFFFAOYSA-N 1 0 309.369 4.098 20 5 DIBDRO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000539818689 1039343662 /nfs/dbraw/zinc/34/36/62/1039343662.db2.gz GTSBTMRHCMGTOZ-UHFFFAOYSA-N 1 0 300.358 4.229 20 5 DIBDRO CCC(CC)[C@H](CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000540146549 1039423756 /nfs/dbraw/zinc/42/37/56/1039423756.db2.gz ICUXNRSHBRCWJT-DYVFJYSZSA-N 1 0 308.422 4.087 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC=CCC1 ZINC000540173497 1039436729 /nfs/dbraw/zinc/43/67/29/1039436729.db2.gz HEYNXBFASDXVII-KGLIPLIRSA-N 1 0 306.431 4.164 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540314702 1039476353 /nfs/dbraw/zinc/47/63/53/1039476353.db2.gz VCCLSYYWVNIWCZ-ZIAGYGMSSA-N 1 0 313.401 4.272 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540314701 1039477268 /nfs/dbraw/zinc/47/72/68/1039477268.db2.gz VCCLSYYWVNIWCZ-UONOGXRCSA-N 1 0 313.401 4.272 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000540610302 1039528659 /nfs/dbraw/zinc/52/86/59/1039528659.db2.gz PXWPZMJGYJEJMN-MWLCHTKSSA-N 1 0 322.352 4.115 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000090068584 1039589554 /nfs/dbraw/zinc/58/95/54/1039589554.db2.gz DGWNSMQMAQVEAY-ROUUACIJSA-N 1 0 314.360 4.462 20 5 DIBDRO COc1cccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000271645291 1039746526 /nfs/dbraw/zinc/74/65/26/1039746526.db2.gz HZKVUIADJAXQOO-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000491546982 1039859674 /nfs/dbraw/zinc/85/96/74/1039859674.db2.gz ODNARXFQARFNPL-CQSZACIVSA-N 1 0 312.360 4.208 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000491579361 1039860346 /nfs/dbraw/zinc/86/03/46/1039860346.db2.gz PVEMUNCVOWKSSB-GPAKFWEMSA-N 1 0 324.371 4.413 20 5 DIBDRO CCOc1cc(C[N@H+](C)[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000492626187 1039989071 /nfs/dbraw/zinc/98/90/71/1039989071.db2.gz AHQQSCGWCCIQAL-LBPRGKRZSA-N 1 0 320.414 4.248 20 5 DIBDRO CCOc1cc(C[N@H+](C)[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000492626186 1039989809 /nfs/dbraw/zinc/98/98/09/1039989809.db2.gz AHQQSCGWCCIQAL-GFCCVEGCSA-N 1 0 320.414 4.248 20 5 DIBDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188114395 1040271500 /nfs/dbraw/zinc/27/15/00/1040271500.db2.gz GKRGVZSTYJRCDY-NEPJUHHUSA-N 1 0 320.414 4.009 20 5 DIBDRO CC(C)(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236662168 1040631524 /nfs/dbraw/zinc/63/15/24/1040631524.db2.gz ALFIYJFSQHTGAW-UHFFFAOYSA-N 1 0 318.348 4.414 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000612582083 1040644670 /nfs/dbraw/zinc/64/46/70/1040644670.db2.gz SYDXDJDQESXQLU-YPMHNXCESA-N 1 0 316.323 4.066 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000444703283 1040764647 /nfs/dbraw/zinc/76/46/47/1040764647.db2.gz JVUNQAKLADIYTF-VIFPVBQESA-N 1 0 322.714 4.023 20 5 DIBDRO COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000414132890 1040904438 /nfs/dbraw/zinc/90/44/38/1040904438.db2.gz MXTSJVGJXJAIBO-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000414277480 1041072350 /nfs/dbraw/zinc/07/23/50/1041072350.db2.gz ZKMMSQJDGGTRDW-YGRLFVJLSA-N 1 0 316.323 4.150 20 5 DIBDRO Cn1cncc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000810159339 1041328532 /nfs/dbraw/zinc/32/85/32/1041328532.db2.gz OWSGEUDKZCJAHK-UHFFFAOYSA-N 1 0 301.393 4.016 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000053148120 1041443182 /nfs/dbraw/zinc/44/31/82/1041443182.db2.gz CSLHWFNJWKGLSE-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CC[C@@H](c1ccncc1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290496684 1041512573 /nfs/dbraw/zinc/51/25/73/1041512573.db2.gz OVZPKGKQSCMJGH-JKNJVXJCSA-N 1 0 311.385 4.086 20 5 DIBDRO Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000481033034 1041519438 /nfs/dbraw/zinc/51/94/38/1041519438.db2.gz FUAHJHKITZAUPT-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811493685 1041524455 /nfs/dbraw/zinc/52/44/55/1041524455.db2.gz MZBAXHNNXIUTQL-KWQFWETISA-N 1 0 303.189 4.180 20 5 DIBDRO CSCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480919 1041528922 /nfs/dbraw/zinc/52/89/22/1041528922.db2.gz JRYPPMBBEQYXNB-UHFFFAOYSA-N 1 0 323.245 4.134 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104702357 1041557616 /nfs/dbraw/zinc/55/76/16/1041557616.db2.gz QFKMGJHALZWUQK-GOSISDBHSA-N 1 0 314.360 4.365 20 5 DIBDRO C[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])c2ccsc2S1 ZINC000216910793 1041805234 /nfs/dbraw/zinc/80/52/34/1041805234.db2.gz NVRUDKSCRDAIMJ-GWCFXTLKSA-N 1 0 320.439 4.372 20 5 DIBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000236727235 1041946452 /nfs/dbraw/zinc/94/64/52/1041946452.db2.gz HIUFTPBEBQPFEN-CSKARUKUSA-N 1 0 310.397 4.175 20 5 DIBDRO COCC(C)(C)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562056721 1042128107 /nfs/dbraw/zinc/12/81/07/1042128107.db2.gz UMCMUWMFNQUCQJ-CQSZACIVSA-N 1 0 308.422 4.007 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000314642508 1042164061 /nfs/dbraw/zinc/16/40/61/1042164061.db2.gz CEABAVAMWNTASR-PXAZEXFGSA-N 1 0 314.410 4.234 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000391094408 1042181765 /nfs/dbraw/zinc/18/17/65/1042181765.db2.gz QXHIPEBBRIQWBX-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000822822142 1042302776 /nfs/dbraw/zinc/30/27/76/1042302776.db2.gz FOCBZKWJEYWQGG-JQWIXIFHSA-N 1 0 317.216 4.138 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001171017863 1042326259 /nfs/dbraw/zinc/32/62/59/1042326259.db2.gz JLGJSVKHCHHYLS-VQTJNVASSA-N 1 0 324.424 4.405 20 5 DIBDRO CCC(C)(CC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236864043 1042346408 /nfs/dbraw/zinc/34/64/08/1042346408.db2.gz OOJBCXPBSSLTHW-UHFFFAOYSA-N 1 0 319.430 4.387 20 5 DIBDRO CC[C@@H](CCO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000236945654 1042420517 /nfs/dbraw/zinc/42/05/17/1042420517.db2.gz QCOGISTXFDYLPJ-INIZCTEOSA-N 1 0 307.437 4.491 20 5 DIBDRO Cc1ccc(C[NH2+]C(C)(C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000322221492 1042460749 /nfs/dbraw/zinc/46/07/49/1042460749.db2.gz UNWJAUFLNBSHNK-UHFFFAOYSA-N 1 0 312.413 4.404 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc3cccnc32)cccc1[N+](=O)[O-] ZINC000120516578 1042467018 /nfs/dbraw/zinc/46/70/18/1042467018.db2.gz FPDLEMLFZWTCKY-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000182332085 1042496764 /nfs/dbraw/zinc/49/67/64/1042496764.db2.gz PTKWGKWAGVWCFV-QGZVFWFLSA-N 1 0 314.385 4.234 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CCCCCC1 ZINC001204952399 1042524759 /nfs/dbraw/zinc/52/47/59/1042524759.db2.gz AAQIVXSWNQTWIE-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO Cc1c(C[NH2+][C@H](CC(F)F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000420994712 1042619852 /nfs/dbraw/zinc/61/98/52/1042619852.db2.gz NNYKQELRWQRAJF-OAHLLOKOSA-N 1 0 320.339 4.389 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000421866506 1042659538 /nfs/dbraw/zinc/65/95/38/1042659538.db2.gz BBVXKOUTBACMEY-GOSISDBHSA-N 1 0 313.401 4.238 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000421872769 1042661384 /nfs/dbraw/zinc/66/13/84/1042661384.db2.gz GYQAXCUIYFWCPL-KGLIPLIRSA-N 1 0 320.458 4.087 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000514076058 1042768474 /nfs/dbraw/zinc/76/84/74/1042768474.db2.gz QIOWTLROIHYGQP-ZDUSSCGKSA-N 1 0 324.371 4.385 20 5 DIBDRO Cc1cc(N[C@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000319795071 1042768653 /nfs/dbraw/zinc/76/86/53/1042768653.db2.gz QFXVHORGFVSKLM-JTQLQIEISA-N 1 0 307.300 4.051 20 5 DIBDRO Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])c2ccccc2[nH+]1 ZINC000514497190 1042784622 /nfs/dbraw/zinc/78/46/22/1042784622.db2.gz VUKUGRGZDIRFCU-UHFFFAOYSA-N 1 0 307.353 4.088 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000425926490 1042875716 /nfs/dbraw/zinc/87/57/16/1042875716.db2.gz PHIQUJBDICZJGR-GFCCVEGCSA-N 1 0 314.360 4.462 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266428987 1042952308 /nfs/dbraw/zinc/95/23/08/1042952308.db2.gz CSGOQVVTKRWCEA-KGLIPLIRSA-N 1 0 314.385 4.405 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000519671055 1042998600 /nfs/dbraw/zinc/99/86/00/1042998600.db2.gz YIAQSHBVHWUJKC-DGCLKSJQSA-N 1 0 316.323 4.053 20 5 DIBDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000441342237 1043039131 /nfs/dbraw/zinc/03/91/31/1043039131.db2.gz YDMKJBPULBSCJG-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000441436747 1043098946 /nfs/dbraw/zinc/09/89/46/1043098946.db2.gz HTLBUSCIQAJVGR-PBHICJAKSA-N 1 0 318.417 4.147 20 5 DIBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000176812681 1043100256 /nfs/dbraw/zinc/10/02/56/1043100256.db2.gz QGTZWZVEKCWVRU-RDTXWAMCSA-N 1 0 313.401 4.080 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000441461289 1043138544 /nfs/dbraw/zinc/13/85/44/1043138544.db2.gz FUBVXCXFHWQPGQ-NVXWUHKLSA-N 1 0 310.397 4.220 20 5 DIBDRO CCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)C ZINC000536355765 1043147930 /nfs/dbraw/zinc/14/79/30/1043147930.db2.gz VAKJULUCDFINNJ-UHFFFAOYSA-N 1 0 317.389 4.118 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000183784360 1043170262 /nfs/dbraw/zinc/17/02/62/1043170262.db2.gz DJJRREZBUVMNQC-HNNXBMFYSA-N 1 0 302.399 4.132 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cc(C)ccn1 ZINC000866540966 1043221015 /nfs/dbraw/zinc/22/10/15/1043221015.db2.gz VRABNOOLRKBKBJ-MRXNPFEDSA-N 1 0 313.401 4.238 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000192352574 1043270994 /nfs/dbraw/zinc/27/09/94/1043270994.db2.gz ULVWWKCBSAWBAI-YVEFUNNKSA-N 1 0 312.369 4.029 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000872021884 1043421852 /nfs/dbraw/zinc/42/18/52/1043421852.db2.gz FRKQMKXXNUHQKS-SNVBAGLBSA-N 1 0 308.428 4.229 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000442822886 1043425802 /nfs/dbraw/zinc/42/58/02/1043425802.db2.gz YALIKZCVGBFJGO-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271524039 1043432047 /nfs/dbraw/zinc/43/20/47/1043432047.db2.gz PVLNLUUJESBWNH-WBVHZDCISA-N 1 0 318.417 4.127 20 5 DIBDRO CC(C)OC1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872051486 1043436173 /nfs/dbraw/zinc/43/61/73/1043436173.db2.gz JDANCJJVYNBBAF-IYXRBSQSSA-N 1 0 324.396 4.121 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000872088491 1043455717 /nfs/dbraw/zinc/45/57/17/1043455717.db2.gz RHMTUQPPNFIUFV-NXEZZACHSA-N 1 0 316.373 4.013 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283227348 1043464017 /nfs/dbraw/zinc/46/40/17/1043464017.db2.gz TYWWBPRTRBGEAS-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000873107024 1043516673 /nfs/dbraw/zinc/51/66/73/1043516673.db2.gz MAZULWRTRURAKV-UHFFFAOYSA-N 1 0 320.339 4.439 20 5 DIBDRO CCCNc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873115276 1043517144 /nfs/dbraw/zinc/51/71/44/1043517144.db2.gz KJTJGJFGPJHGOX-UHFFFAOYSA-N 1 0 313.401 4.015 20 5 DIBDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873183863 1043524861 /nfs/dbraw/zinc/52/48/61/1043524861.db2.gz NXTUZAYSIWTRRM-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000522163395 1043554753 /nfs/dbraw/zinc/55/47/53/1043554753.db2.gz BATZDWZETCEXLE-MRXNPFEDSA-N 1 0 304.415 4.485 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1Cl ZINC000522269002 1043595352 /nfs/dbraw/zinc/59/53/52/1043595352.db2.gz JIEMBWUCZPOXDH-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccc(CF)cc1)C1CC1 ZINC000777707536 1043772216 /nfs/dbraw/zinc/77/22/16/1043772216.db2.gz BGNOCNVVLHFBJL-UHFFFAOYSA-N 1 0 314.360 4.229 20 5 DIBDRO Cc1c(C[NH2+]Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000323474278 1043842366 /nfs/dbraw/zinc/84/23/66/1043842366.db2.gz KKNWUMKTLPRSSD-UHFFFAOYSA-N 1 0 306.365 4.346 20 5 DIBDRO C[C@@H](NCc1cc(C(F)(F)F)co1)c1cccc([N+](=O)[O-])c1 ZINC000878355893 1043877503 /nfs/dbraw/zinc/87/75/03/1043877503.db2.gz ODZKGZKRDSTDPG-SECBINFHSA-N 1 0 314.263 4.057 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000358331463 1044054305 /nfs/dbraw/zinc/05/43/05/1044054305.db2.gz APHLNCWZJQWDSZ-QGZVFWFLSA-N 1 0 314.360 4.210 20 5 DIBDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])CC(F)F ZINC000883251841 1044246600 /nfs/dbraw/zinc/24/66/00/1044246600.db2.gz GEAOZSRMSCSXTI-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035256529 1044319602 /nfs/dbraw/zinc/31/96/02/1044319602.db2.gz HOTPSZFEFZHNRI-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035256530 1044320500 /nfs/dbraw/zinc/32/05/00/1044320500.db2.gz HOTPSZFEFZHNRI-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001202560095 1044351687 /nfs/dbraw/zinc/35/16/87/1044351687.db2.gz AJPCERLSWBRWCJ-IEBWSBKVSA-N 1 0 310.397 4.268 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000475332371 1044365760 /nfs/dbraw/zinc/36/57/60/1044365760.db2.gz FLCRVRZBACTLQN-WBVHZDCISA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475545031 1044492956 /nfs/dbraw/zinc/49/29/56/1044492956.db2.gz CJTLLVHDTQBOPK-YOEHRIQHSA-N 1 0 314.360 4.160 20 5 DIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000567272208 1044552992 /nfs/dbraw/zinc/55/29/92/1044552992.db2.gz HMHPFLQPNKJHOB-LLVKDONJSA-N 1 0 315.398 4.031 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Cl)cc1 ZINC000567291267 1044556510 /nfs/dbraw/zinc/55/65/10/1044556510.db2.gz WDDAZUNVJWRLTL-HNNXBMFYSA-N 1 0 302.761 4.025 20 5 DIBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(F)(F)F ZINC000840960561 1044572369 /nfs/dbraw/zinc/57/23/69/1044572369.db2.gz OOXPODAJODNBPT-SECBINFHSA-N 1 0 324.730 4.316 20 5 DIBDRO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccc([N+](=O)[O-])cc1 ZINC000296062145 1044587135 /nfs/dbraw/zinc/58/71/35/1044587135.db2.gz PIBLOLAWXIRUQT-NSHDSACASA-N 1 0 319.430 4.200 20 5 DIBDRO CCc1ccc([C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000886046146 1044602294 /nfs/dbraw/zinc/60/22/94/1044602294.db2.gz CGDWSGIZBWCGTO-KRWDZBQOSA-N 1 0 313.401 4.039 20 5 DIBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000886116758 1044618116 /nfs/dbraw/zinc/61/81/16/1044618116.db2.gz QFTKAOUSVRDWQH-QGZVFWFLSA-N 1 0 311.385 4.011 20 5 DIBDRO C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000296532651 1044625596 /nfs/dbraw/zinc/62/55/96/1044625596.db2.gz DGSKOIYHUPOWDB-RYUDHWBXSA-N 1 0 317.389 4.292 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000088511456 1044627858 /nfs/dbraw/zinc/62/78/58/1044627858.db2.gz KRFLAOOLASJADC-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000296631785 1044636370 /nfs/dbraw/zinc/63/63/70/1044636370.db2.gz BKNIHLBVTDCHAD-QWRGUYRKSA-N 1 0 319.430 4.334 20 5 DIBDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000523702106 1044676880 /nfs/dbraw/zinc/67/68/80/1044676880.db2.gz CBFMPPNBKZOLAK-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569887143 1044719185 /nfs/dbraw/zinc/71/91/85/1044719185.db2.gz WHTNUHNGAMQXNY-UVBSCNOISA-N 1 0 314.385 4.085 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000089552859 1044742693 /nfs/dbraw/zinc/74/26/93/1044742693.db2.gz NYZKCMXDYBMNNI-KBPBESRZSA-N 1 0 314.385 4.405 20 5 DIBDRO CC(C)c1ccc(C[N@H+](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000570606098 1044769560 /nfs/dbraw/zinc/76/95/60/1044769560.db2.gz BSIICDZOYUEGIM-UHFFFAOYSA-N 1 0 314.385 4.056 20 5 DIBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000524425725 1044838330 /nfs/dbraw/zinc/83/83/30/1044838330.db2.gz CGMJAWZNVOFYFC-LBPRGKRZSA-N 1 0 320.339 4.109 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000445995326 1044871330 /nfs/dbraw/zinc/87/13/30/1044871330.db2.gz SMEDOOPBFAFRGV-PBHICJAKSA-N 1 0 314.360 4.160 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000133632831 1044941968 /nfs/dbraw/zinc/94/19/68/1044941968.db2.gz UIFKIMOCNHWUAJ-CXAGYDPISA-N 1 0 312.369 4.159 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000152982968 1045050911 /nfs/dbraw/zinc/05/09/11/1045050911.db2.gz WXZYPXQPFPIHET-GFCCVEGCSA-N 1 0 320.414 4.214 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)o1 ZINC000428465894 1045088495 /nfs/dbraw/zinc/08/84/95/1045088495.db2.gz YBTGCLYUHLOWLT-CZUORRHYSA-N 1 0 312.369 4.229 20 5 DIBDRO CCSCC[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447528057 1045137811 /nfs/dbraw/zinc/13/78/11/1045137811.db2.gz ICXYCZXHVBYYNW-BLLLJJGKSA-N 1 0 308.447 4.094 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447530972 1045137923 /nfs/dbraw/zinc/13/79/23/1045137923.db2.gz NVNYFIFFJZFOSE-ROUUACIJSA-N 1 0 320.433 4.013 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447575065 1045157662 /nfs/dbraw/zinc/15/76/62/1045157662.db2.gz QBBKVZQXINHOIA-CAYVGHNUSA-N 1 0 322.408 4.495 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(Cl)c2)C2CC2)cc1 ZINC000577774508 1045168213 /nfs/dbraw/zinc/16/82/13/1045168213.db2.gz UAARGVKHKDDJFY-UHFFFAOYSA-N 1 0 316.788 4.413 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001168096057 1045243054 /nfs/dbraw/zinc/24/30/54/1045243054.db2.gz HSLQSJOSNSXIQM-LSDHHAIUSA-N 1 0 308.397 4.428 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C2CC2)cc1 ZINC000579024852 1045290239 /nfs/dbraw/zinc/29/02/39/1045290239.db2.gz TWYXNDCBVSGXQR-GOSISDBHSA-N 1 0 308.381 4.249 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000449303562 1045373404 /nfs/dbraw/zinc/37/34/04/1045373404.db2.gz YMRALMBUFNQXNP-ZTFGCOKTSA-N 1 0 310.397 4.062 20 5 DIBDRO C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1O ZINC000190050272 1045374973 /nfs/dbraw/zinc/37/49/73/1045374973.db2.gz LXWTYGKISRUVFG-BTYIYWSLSA-N 1 0 305.421 4.196 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000449431433 1045392694 /nfs/dbraw/zinc/39/26/94/1045392694.db2.gz DFQFPFWFYCYJBJ-JSGCOSHPSA-N 1 0 316.323 4.196 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000475666086 1045479779 /nfs/dbraw/zinc/47/97/79/1045479779.db2.gz AWUQQHMLWSLKAP-KOMQPUFPSA-N 1 0 316.788 4.284 20 5 DIBDRO CC[NH+](CC)Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000190382707 1045540623 /nfs/dbraw/zinc/54/06/23/1045540623.db2.gz ZILMPRHRLFOQBP-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO CSCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237503485 1045573138 /nfs/dbraw/zinc/57/31/38/1045573138.db2.gz LVWLIKAVYHKLMV-UHFFFAOYSA-N 1 0 322.455 4.166 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@@H]2CCCF)c1 ZINC000800973421 1045673047 /nfs/dbraw/zinc/67/30/47/1045673047.db2.gz FEGJEDGRRKPEHS-ABAIWWIYSA-N 1 0 314.788 4.256 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000451422748 1045681991 /nfs/dbraw/zinc/68/19/91/1045681991.db2.gz UNCMOQYJWYNRJM-GXFFZTMASA-N 1 0 316.323 4.066 20 5 DIBDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801513115 1045725694 /nfs/dbraw/zinc/72/56/94/1045725694.db2.gz CBAHELKKIBRHML-UHFFFAOYSA-N 1 0 302.349 4.064 20 5 DIBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801530076 1045731922 /nfs/dbraw/zinc/73/19/22/1045731922.db2.gz VHMKAWPEQNYUHR-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)cc1F ZINC000801531684 1045734121 /nfs/dbraw/zinc/73/41/21/1045734121.db2.gz SOYSLDANIAOXCP-QGZVFWFLSA-N 1 0 314.360 4.365 20 5 DIBDRO CC[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000828703915 1045928260 /nfs/dbraw/zinc/92/82/60/1045928260.db2.gz MQYXCFSCZHDGAE-QWHCGFSZSA-N 1 0 317.216 4.219 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2sccc2Cl)cc1[N+](=O)[O-] ZINC000193139562 1045970787 /nfs/dbraw/zinc/97/07/87/1045970787.db2.gz YQYBBYKMPZPWCD-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO Cc1ccccc1C1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000829500619 1045980150 /nfs/dbraw/zinc/98/01/50/1045980150.db2.gz OIOHTRZWFDXDAB-UHFFFAOYSA-N 1 0 316.788 4.336 20 5 DIBDRO C[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000453258155 1046008075 /nfs/dbraw/zinc/00/80/75/1046008075.db2.gz OFQRGGUFVAQSQQ-LBPRGKRZSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1c([C@H](C)[N@@H+]2CCC[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000453367141 1046067189 /nfs/dbraw/zinc/06/71/89/1046067189.db2.gz PQXHRFQZQZMFJX-WMLDXEAASA-N 1 0 320.458 4.183 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532213562 1046116837 /nfs/dbraw/zinc/11/68/37/1046116837.db2.gz BDNKTJADONHPEI-CHWSQXEVSA-N 1 0 302.349 4.188 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000532229015 1046118584 /nfs/dbraw/zinc/11/85/84/1046118584.db2.gz WJRZPUVYWVFZSJ-KGLIPLIRSA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000532229017 1046119440 /nfs/dbraw/zinc/11/94/40/1046119440.db2.gz WJRZPUVYWVFZSJ-ZIAGYGMSSA-N 1 0 316.405 4.092 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccnc(Cl)c1 ZINC000195410848 1046120381 /nfs/dbraw/zinc/12/03/81/1046120381.db2.gz ZFOYSLBWXWNPRW-UHFFFAOYSA-N 1 0 319.792 4.054 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903167514 1046182355 /nfs/dbraw/zinc/18/23/55/1046182355.db2.gz ZQCUGDIVDKVUGM-GHMZBOCLSA-N 1 0 306.387 4.077 20 5 DIBDRO CC(C)[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000903246386 1046206232 /nfs/dbraw/zinc/20/62/32/1046206232.db2.gz UJOMTRUOJHTABZ-KSSFIOAISA-N 1 0 313.401 4.080 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000903246372 1046206873 /nfs/dbraw/zinc/20/68/73/1046206873.db2.gz UDRSUIOTVWELLE-NEPJUHHUSA-N 1 0 319.792 4.098 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000903246212 1046206999 /nfs/dbraw/zinc/20/69/99/1046206999.db2.gz SGNHPNMZQSJWAL-NWDGAFQWSA-N 1 0 319.792 4.098 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000903244719 1046207044 /nfs/dbraw/zinc/20/70/44/1046207044.db2.gz CAROHNVEHCUQBQ-NWDGAFQWSA-N 1 0 319.792 4.098 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)CCC2 ZINC000903427808 1046277230 /nfs/dbraw/zinc/27/72/30/1046277230.db2.gz KFHHBCASQSMKEM-OALUTQOASA-N 1 0 323.396 4.108 20 5 DIBDRO Cc1ccc(C2=CC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000795384803 1046318702 /nfs/dbraw/zinc/31/87/02/1046318702.db2.gz HLSMNYYYAKNPCB-UHFFFAOYSA-N 1 0 308.381 4.193 20 5 DIBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783599186 1046614103 /nfs/dbraw/zinc/61/41/03/1046614103.db2.gz YDTSGZDIGNZHDU-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1Cl ZINC000783621683 1046614892 /nfs/dbraw/zinc/61/48/92/1046614892.db2.gz PPLFWBLVGKUVOW-HNNXBMFYSA-N 1 0 320.751 4.164 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1Cl ZINC000783635648 1046617066 /nfs/dbraw/zinc/61/70/66/1046617066.db2.gz ZCURWZNCGZFEJP-AWEZNQCLSA-N 1 0 316.788 4.068 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783653242 1046617736 /nfs/dbraw/zinc/61/77/36/1046617736.db2.gz XMGZMVNFITWKNY-NSHDSACASA-N 1 0 319.792 4.056 20 5 DIBDRO Cc1ccc([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cc1 ZINC000784479009 1046691900 /nfs/dbraw/zinc/69/19/00/1046691900.db2.gz ZQPLZKCBXOUFEU-HNNXBMFYSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000834894889 1046703919 /nfs/dbraw/zinc/70/39/19/1046703919.db2.gz WLNLEDMPHJLCHP-ZWNOBZJWSA-N 1 0 317.216 4.219 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H]2C=CCC2)o1 ZINC001203056398 1046843376 /nfs/dbraw/zinc/84/33/76/1046843376.db2.gz XXURDQSLKUZYEK-GFCCVEGCSA-N 1 0 318.760 4.316 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000303124115 1046878967 /nfs/dbraw/zinc/87/89/67/1046878967.db2.gz AOMQABZYFJPONC-SFHVURJKSA-N 1 0 310.397 4.365 20 5 DIBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCc3cc(Cl)ccc32)cs1 ZINC000237831375 1046903512 /nfs/dbraw/zinc/90/35/12/1046903512.db2.gz NCSZUCLHFUABHQ-CYBMUJFWSA-N 1 0 308.790 4.087 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303571726 1046931844 /nfs/dbraw/zinc/93/18/44/1046931844.db2.gz MWRXWAVFDPMGDJ-MAUKXSAKSA-N 1 0 300.402 4.478 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000303738871 1046954142 /nfs/dbraw/zinc/95/41/42/1046954142.db2.gz HRAJESARHQLOHM-DOTOQJQBSA-N 1 0 310.397 4.281 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000303771375 1046962942 /nfs/dbraw/zinc/96/29/42/1046962942.db2.gz QRUMXDHFEPTXSC-FUHWJXTLSA-N 1 0 324.424 4.324 20 5 DIBDRO C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000799983176 1047078648 /nfs/dbraw/zinc/07/86/48/1047078648.db2.gz WOAQZRVRCGVMTL-ZBEGNZNMSA-N 1 0 316.788 4.066 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000536755111 1047097585 /nfs/dbraw/zinc/09/75/85/1047097585.db2.gz FTHGGQCCPJGAQC-QAPCUYQASA-N 1 0 320.433 4.011 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000536868272 1047116390 /nfs/dbraw/zinc/11/63/90/1047116390.db2.gz GDQGGMPNCNVXIM-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000536873430 1047116833 /nfs/dbraw/zinc/11/68/33/1047116833.db2.gz ZYOUNLPHKSXSAU-TYILLQQXSA-N 1 0 310.397 4.487 20 5 DIBDRO Cc1ccsc1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537016593 1047128523 /nfs/dbraw/zinc/12/85/23/1047128523.db2.gz PNMLHCLDJUFUQA-ZDUSSCGKSA-N 1 0 304.415 4.166 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000163503991 1047234894 /nfs/dbraw/zinc/23/48/94/1047234894.db2.gz RTOVSCPIHMZEHH-SGTLLEGYSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000163503698 1047235024 /nfs/dbraw/zinc/23/50/24/1047235024.db2.gz RTOVSCPIHMZEHH-KZULUSFZSA-N 1 0 314.360 4.380 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCC2(COC2)C1 ZINC001141722765 1047275748 /nfs/dbraw/zinc/27/57/48/1047275748.db2.gz IIDVHCSYRWTXLI-UHFFFAOYSA-N 1 0 303.405 4.215 20 5 DIBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141723522 1047278099 /nfs/dbraw/zinc/27/80/99/1047278099.db2.gz ZXDNHRVVOUSPBR-CRAIPNDOSA-N 1 0 305.421 4.338 20 5 DIBDRO O[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1F ZINC001141723049 1047278903 /nfs/dbraw/zinc/27/89/03/1047278903.db2.gz NMISYZGZPPGVOL-SFTDATJTSA-N 1 0 323.411 4.288 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCOC2(CC2)C1 ZINC001141728567 1047281164 /nfs/dbraw/zinc/28/11/64/1047281164.db2.gz XIPZXYSICDMXKV-UHFFFAOYSA-N 1 0 303.405 4.358 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000897934575 1047299231 /nfs/dbraw/zinc/29/92/31/1047299231.db2.gz LKHUIOOANOPBQZ-LLVKDONJSA-N 1 0 305.403 4.026 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C)CC1 ZINC000726605799 1047369235 /nfs/dbraw/zinc/36/92/35/1047369235.db2.gz JOQTXSGETXZVOT-LBPRGKRZSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(C)CC1 ZINC000726605232 1047369874 /nfs/dbraw/zinc/36/98/74/1047369874.db2.gz AJYBISTXPLSULU-GFCCVEGCSA-N 1 0 300.358 4.133 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC001168316541 1047425767 /nfs/dbraw/zinc/42/57/67/1047425767.db2.gz CMHDDQGOHQMSAA-AWEZNQCLSA-N 1 0 324.371 4.385 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@@H]4CCC[C@H]4C3)o2)cc1 ZINC000537625312 1047480198 /nfs/dbraw/zinc/48/01/98/1047480198.db2.gz ZQDAOWLCCFQDGI-GJZGRUSLSA-N 1 0 312.369 4.087 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000477243518 1047606731 /nfs/dbraw/zinc/60/67/31/1047606731.db2.gz MMSJFKGKRKASSL-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000537980248 1047649967 /nfs/dbraw/zinc/64/99/67/1047649967.db2.gz ORUUZGXBNHEBGD-KZULUSFZSA-N 1 0 314.360 4.380 20 5 DIBDRO CC(C)(C)C(=[NH2+])Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155180215 1047670953 /nfs/dbraw/zinc/67/09/53/1047670953.db2.gz MFOYBWBDRJVGSB-UHFFFAOYSA-N 1 0 306.753 4.232 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000538581948 1047689247 /nfs/dbraw/zinc/68/92/47/1047689247.db2.gz WSFQRZYHMIRCFC-NXHRZFHOSA-N 1 0 320.433 4.229 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000539064766 1047730734 /nfs/dbraw/zinc/73/07/34/1047730734.db2.gz DLVWRSSVUUYBCI-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC1 ZINC000539067024 1047734525 /nfs/dbraw/zinc/73/45/25/1047734525.db2.gz ZCPCHKDKUHSNEC-GJZGRUSLSA-N 1 0 324.371 4.083 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)cc1 ZINC000539094449 1047735625 /nfs/dbraw/zinc/73/56/25/1047735625.db2.gz WIKNRZBHEAQQAQ-QGZVFWFLSA-N 1 0 316.788 4.415 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000927037151 1047767500 /nfs/dbraw/zinc/76/75/00/1047767500.db2.gz LGBIERHXURFQKK-JSGCOSHPSA-N 1 0 306.431 4.064 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000927037153 1047767590 /nfs/dbraw/zinc/76/75/90/1047767590.db2.gz LGBIERHXURFQKK-TZMCWYRMSA-N 1 0 306.431 4.064 20 5 DIBDRO C[C@H]1CC(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)C1 ZINC001182816415 1047846934 /nfs/dbraw/zinc/84/69/34/1047846934.db2.gz KTWRVFSULHTTJC-VXGBXAGGSA-N 1 0 310.825 4.410 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(C3CCC3)CC2)c(F)c1 ZINC001182971113 1047870198 /nfs/dbraw/zinc/87/01/98/1047870198.db2.gz WQDQXMFHDFAXLU-UHFFFAOYSA-N 1 0 306.381 4.182 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCC(F)CC1 ZINC001183083298 1047882504 /nfs/dbraw/zinc/88/25/04/1047882504.db2.gz DJAZSHPCMSVEQA-JFBXJRRNSA-N 1 0 322.424 4.422 20 5 DIBDRO [NH3+]Cc1cccc(Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC001159649734 1047895963 /nfs/dbraw/zinc/89/59/63/1047895963.db2.gz RUDJYCRUHYVZPQ-UHFFFAOYSA-N 1 0 312.156 4.104 20 5 DIBDRO Cc1scc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1C ZINC001183270719 1047916433 /nfs/dbraw/zinc/91/64/33/1047916433.db2.gz XZOSTTFAEIECNQ-UHFFFAOYSA-N 1 0 310.806 4.216 20 5 DIBDRO Nc1ccc2ccc3c(NC4=CCC[NH2+]C4)ccc4ccc1c2c43 ZINC001159971067 1047961376 /nfs/dbraw/zinc/96/13/76/1047961376.db2.gz VHOLTRVTZDIJNS-UHFFFAOYSA-N 1 0 313.404 4.455 20 5 DIBDRO C[C@H]([NH2+]CCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001183789752 1047966332 /nfs/dbraw/zinc/96/63/32/1047966332.db2.gz XHSJNJRSZZDALW-LBPRGKRZSA-N 1 0 320.339 4.156 20 5 DIBDRO C[C@H](C[NH2+]C[C@H]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC001184045386 1047993083 /nfs/dbraw/zinc/99/30/83/1047993083.db2.gz MDKOVBITASKKRH-CVEARBPZSA-N 1 0 324.424 4.093 20 5 DIBDRO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001184047063 1047994816 /nfs/dbraw/zinc/99/48/16/1047994816.db2.gz ZWPCZYPPMGOFKF-DOTOQJQBSA-N 1 0 312.413 4.309 20 5 DIBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000554309477 1048066777 /nfs/dbraw/zinc/06/67/77/1048066777.db2.gz RJYGHQXPGBCKIT-KRWDZBQOSA-N 1 0 314.385 4.187 20 5 DIBDRO C/C=C\C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001175055245 1048114596 /nfs/dbraw/zinc/11/45/96/1048114596.db2.gz WAHPGZXJJWONPE-XQJDBVBESA-N 1 0 308.809 4.426 20 5 DIBDRO CC(C)n1cncc1CNc1ccc2ccc3cccnc3c2n1 ZINC001161563328 1048138644 /nfs/dbraw/zinc/13/86/44/1048138644.db2.gz ZIYVJTKWJHCLKD-UHFFFAOYSA-N 1 0 317.396 4.173 20 5 DIBDRO CCC[N@H+](CC)CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001185592193 1048201618 /nfs/dbraw/zinc/20/16/18/1048201618.db2.gz CZRSUOUHYDDCFV-UHFFFAOYSA-N 1 0 320.220 4.045 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C2(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000480665405 1048214961 /nfs/dbraw/zinc/21/49/61/1048214961.db2.gz CHKNQNBDEACWNL-HNNXBMFYSA-N 1 0 310.397 4.329 20 5 DIBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC001162074198 1048223125 /nfs/dbraw/zinc/22/31/25/1048223125.db2.gz UWYFTJFFBYELHW-QGZVFWFLSA-N 1 0 323.412 4.046 20 5 DIBDRO CC(C)[PH+](CCNc1nccc(Cl)c1[N+](=O)[O-])C(C)C ZINC001162358644 1048267365 /nfs/dbraw/zinc/26/73/65/1048267365.db2.gz UMXMGNQGBLXTMS-UHFFFAOYSA-N 1 0 317.757 4.354 20 5 DIBDRO CC(C)[PH+](CCNc1cc(Cl)ncc1[N+](=O)[O-])C(C)C ZINC001162358691 1048267908 /nfs/dbraw/zinc/26/79/08/1048267908.db2.gz QJUDYIAPFMCYIQ-UHFFFAOYSA-N 1 0 317.757 4.354 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555165334 1048279972 /nfs/dbraw/zinc/27/99/72/1048279972.db2.gz HUIOPARAJYLWQQ-FTUNRGFVSA-N 1 0 310.397 4.438 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc2ccccc2c2ccccc21 ZINC001162470787 1048286572 /nfs/dbraw/zinc/28/65/72/1048286572.db2.gz MIMSORSZGPRUTB-JKSUJKDBSA-N 1 0 319.452 4.436 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc2ccccc2c2ccccc21 ZINC001162470786 1048286867 /nfs/dbraw/zinc/28/68/67/1048286867.db2.gz MIMSORSZGPRUTB-HZPDHXFCSA-N 1 0 319.452 4.436 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C2CCC2)CC1 ZINC001201633554 1048327149 /nfs/dbraw/zinc/32/71/49/1048327149.db2.gz KOKHBIBAEKDJMW-UHFFFAOYSA-N 1 0 318.417 4.052 20 5 DIBDRO CC[C@H]([NH2+]CCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000481318836 1048365927 /nfs/dbraw/zinc/36/59/27/1048365927.db2.gz KNCSCESNIRUSTG-KRWDZBQOSA-N 1 0 320.339 4.156 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC001201822647 1048383380 /nfs/dbraw/zinc/38/33/80/1048383380.db2.gz OOQBVVGAHHKUFH-UHFFFAOYSA-N 1 0 322.364 4.187 20 5 DIBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc3cc[nH]c3c([N+](=O)[O-])c2)c1 ZINC001162909238 1048385342 /nfs/dbraw/zinc/38/53/42/1048385342.db2.gz KMWOFCRSUXDAHF-LLVKDONJSA-N 1 0 320.352 4.040 20 5 DIBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1ccc2cc([C@@H](C)[NH3+])ccc21 ZINC001162914440 1048388735 /nfs/dbraw/zinc/38/87/35/1048388735.db2.gz UJQCBWTUPYTFOH-LLVKDONJSA-N 1 0 313.332 4.006 20 5 DIBDRO CCCOc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001176028318 1048537148 /nfs/dbraw/zinc/53/71/48/1048537148.db2.gz LQOPPLRCPSKOLO-CQSZACIVSA-N 1 0 314.385 4.234 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCCSCc1ccco1 ZINC001164224199 1048610883 /nfs/dbraw/zinc/61/08/83/1048610883.db2.gz IBOADAHWXYMGGX-UHFFFAOYSA-N 1 0 319.494 4.221 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3c2cccc3F)ccc1Cl ZINC001176243407 1048613682 /nfs/dbraw/zinc/61/36/82/1048613682.db2.gz OJCVMOZAUYSFOI-OAHLLOKOSA-N 1 0 320.751 4.164 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000482507170 1048623041 /nfs/dbraw/zinc/62/30/41/1048623041.db2.gz JYFGPQNSZRBIGS-YVMONPNESA-N 1 0 320.392 4.155 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000482511020 1048626110 /nfs/dbraw/zinc/62/61/10/1048626110.db2.gz OIIVAKVPKHHSHO-RISCZKNCSA-N 1 0 316.323 4.066 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483122901 1048739759 /nfs/dbraw/zinc/73/97/59/1048739759.db2.gz OLSHNZXQCQKKFL-UKRRQHHQSA-N 1 0 314.360 4.284 20 5 DIBDRO CC(C)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001190617453 1048759558 /nfs/dbraw/zinc/75/95/58/1048759558.db2.gz ZENURDDOHMELNO-UHFFFAOYSA-N 1 0 316.376 4.392 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCC(C)C)C1CCCC1 ZINC001190588996 1048762753 /nfs/dbraw/zinc/76/27/53/1048762753.db2.gz INHIENJWCKZPBG-UHFFFAOYSA-N 1 0 320.433 4.394 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CCCCC3)CC2)ccc1Cl ZINC001176842828 1048793165 /nfs/dbraw/zinc/79/31/65/1048793165.db2.gz YGRFIFXXFRKBDN-UHFFFAOYSA-N 1 0 308.809 4.451 20 5 DIBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000483430788 1048796630 /nfs/dbraw/zinc/79/66/30/1048796630.db2.gz XULCEDMQIZXRIK-ZDUSSCGKSA-N 1 0 316.323 4.005 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000483611778 1048823855 /nfs/dbraw/zinc/82/38/55/1048823855.db2.gz FGQVIONHBZCGDP-TZMCWYRMSA-N 1 0 302.374 4.168 20 5 DIBDRO CC[N@H+](CCc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001167032622 1048832797 /nfs/dbraw/zinc/83/27/97/1048832797.db2.gz ZLUVZCNLMWBZAB-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000483654641 1048836250 /nfs/dbraw/zinc/83/62/50/1048836250.db2.gz OHWDBXSSGXFBCQ-ZFWWWQNUSA-N 1 0 316.401 4.477 20 5 DIBDRO CC(C)CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776604294 1048847770 /nfs/dbraw/zinc/84/77/70/1048847770.db2.gz AXTBMJVAYWFJCH-DLBZAZTESA-N 1 0 322.449 4.069 20 5 DIBDRO CC1(C)C[C@@]1(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001203511161 1048914288 /nfs/dbraw/zinc/91/42/88/1048914288.db2.gz OLYBHKDGHZHTBT-SFHVURJKSA-N 1 0 314.385 4.381 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000036921216 1049011270 /nfs/dbraw/zinc/01/12/70/1049011270.db2.gz ONPBNYRLNIXGKW-HNNXBMFYSA-N 1 0 304.777 4.489 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000036921217 1049011682 /nfs/dbraw/zinc/01/16/82/1049011682.db2.gz ONPBNYRLNIXGKW-OAHLLOKOSA-N 1 0 304.777 4.489 20 5 DIBDRO C[C@@H](C[NH2+]Cc1nccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001203863925 1049018298 /nfs/dbraw/zinc/01/82/98/1049018298.db2.gz IRDZBLBEZNAXFT-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001192173986 1049055750 /nfs/dbraw/zinc/05/57/50/1049055750.db2.gz NPNBACQFZOTYFL-IUODEOHRSA-N 1 0 324.396 4.143 20 5 DIBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001204002514 1049058167 /nfs/dbraw/zinc/05/81/67/1049058167.db2.gz SSROUHMQBOCTGP-VBKZILBWSA-N 1 0 315.416 4.397 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000776882001 1049091360 /nfs/dbraw/zinc/09/13/60/1049091360.db2.gz DEONWNKLBTWYRH-SQWLQELKSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000776882000 1049091409 /nfs/dbraw/zinc/09/14/09/1049091409.db2.gz DEONWNKLBTWYRH-OFQRWUPVSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC001204261288 1049123093 /nfs/dbraw/zinc/12/30/93/1049123093.db2.gz AFZPSGPMEZIFIP-OAHLLOKOSA-N 1 0 310.397 4.363 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000857083277 1049127524 /nfs/dbraw/zinc/12/75/24/1049127524.db2.gz WCDWOBXTSTXGGE-GHMZBOCLSA-N 1 0 317.216 4.138 20 5 DIBDRO CC[C@H](C)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001179105668 1049131971 /nfs/dbraw/zinc/13/19/71/1049131971.db2.gz KXHCLPWMBQGOCI-LBPRGKRZSA-N 1 0 319.430 4.244 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@]2(C)CC[C@H](C)C2(C)C)cc1[N+](=O)[O-] ZINC001179111073 1049133450 /nfs/dbraw/zinc/13/34/50/1049133450.db2.gz RNZMVBPHQRXRBQ-KSSFIOAISA-N 1 0 304.434 4.455 20 5 DIBDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173364193 1049139161 /nfs/dbraw/zinc/13/91/61/1049139161.db2.gz RHTZSIOSHMDZEP-UONOGXRCSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001192814684 1049139902 /nfs/dbraw/zinc/13/99/02/1049139902.db2.gz XBFFWZVQRYFVAA-QGZVFWFLSA-N 1 0 309.369 4.317 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)s1 ZINC001179266264 1049148724 /nfs/dbraw/zinc/14/87/24/1049148724.db2.gz KSAQMUGNBSFUPL-FVCICTRLSA-N 1 0 314.410 4.211 20 5 DIBDRO C[C@H]([NH2+]C1CCc2ccccc2CC1)c1ccccc1[N+](=O)[O-] ZINC001179506934 1049176347 /nfs/dbraw/zinc/17/63/47/1049176347.db2.gz MKORTUUOZPSGJN-AWEZNQCLSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc2occc2c1)c1ccccc1[N+](=O)[O-] ZINC001179685369 1049192804 /nfs/dbraw/zinc/19/28/04/1049192804.db2.gz LGJRQKIHRSYSEL-CYBMUJFWSA-N 1 0 310.353 4.234 20 5 DIBDRO CCCC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC001193225715 1049192963 /nfs/dbraw/zinc/19/29/63/1049192963.db2.gz RSRPKCLLVFFTSB-HNNXBMFYSA-N 1 0 306.406 4.052 20 5 DIBDRO C/C(=C\c1ccccc1)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001193374680 1049203896 /nfs/dbraw/zinc/20/38/96/1049203896.db2.gz WITCZAXNMRHFPX-JQIJEIRASA-N 1 0 310.397 4.173 20 5 DIBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001193448506 1049207792 /nfs/dbraw/zinc/20/77/92/1049207792.db2.gz PWWHFEUNUJTUSP-HUUCEWRRSA-N 1 0 306.406 4.004 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000858576840 1049281296 /nfs/dbraw/zinc/28/12/96/1049281296.db2.gz FRTBEXABYXSGCN-BXUZGUMPSA-N 1 0 305.403 4.243 20 5 DIBDRO NC[C@H]1CCCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001204925452 1049312980 /nfs/dbraw/zinc/31/29/80/1049312980.db2.gz SZAFZDDEXSLNEX-GOSISDBHSA-N 1 0 304.437 4.306 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCC(C)=C(C)C1 ZINC001180310252 1049329162 /nfs/dbraw/zinc/32/91/62/1049329162.db2.gz BNSNULQWRRLVRV-GJZGRUSLSA-N 1 0 318.417 4.218 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCC12CCCC2 ZINC001205009047 1049339095 /nfs/dbraw/zinc/33/90/95/1049339095.db2.gz ZVEQBVLYXIXVQX-MRXNPFEDSA-N 1 0 322.836 4.493 20 5 DIBDRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC001180348955 1049342026 /nfs/dbraw/zinc/34/20/26/1049342026.db2.gz HCLAZERVGHXAHD-JMSVASOKSA-N 1 0 310.825 4.205 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC001180908012 1049416510 /nfs/dbraw/zinc/41/65/10/1049416510.db2.gz TZPNVLZPZRZSMC-UHFFFAOYSA-N 1 0 315.760 4.019 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC001194807363 1049432320 /nfs/dbraw/zinc/43/23/20/1049432320.db2.gz QLVDHMRZEKZKLM-OAHLLOKOSA-N 1 0 318.417 4.004 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)CCCC2 ZINC001181153343 1049448392 /nfs/dbraw/zinc/44/83/92/1049448392.db2.gz BQJZLEKHJCEMCR-UHFFFAOYSA-N 1 0 324.424 4.148 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC001181419316 1049472348 /nfs/dbraw/zinc/47/23/48/1049472348.db2.gz ZGQQCVLFSMNAIS-SNVBAGLBSA-N 1 0 316.323 4.282 20 5 DIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[C@H](C)C1 ZINC001195179673 1049483597 /nfs/dbraw/zinc/48/35/97/1049483597.db2.gz OHCPSMLATJZGAX-AVGNSLFASA-N 1 0 317.389 4.040 20 5 DIBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001205633068 1049516812 /nfs/dbraw/zinc/51/68/12/1049516812.db2.gz IGLMRZGCTQKODT-ZJUUUORDSA-N 1 0 317.216 4.427 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001195429020 1049531836 /nfs/dbraw/zinc/53/18/36/1049531836.db2.gz ZDAJUEJCEWKXAD-CZUORRHYSA-N 1 0 320.408 4.382 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C(C)C)[C@H]1C(C)C ZINC001205788554 1049564454 /nfs/dbraw/zinc/56/44/54/1049564454.db2.gz CMAHNZCQLWJANK-MAUKXSAKSA-N 1 0 304.434 4.324 20 5 DIBDRO CC1(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC001195994568 1049605885 /nfs/dbraw/zinc/60/58/85/1049605885.db2.gz DLQNOTBHTIYYPI-UHFFFAOYSA-N 1 0 320.433 4.122 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC2CCC1CC2 ZINC001205943058 1049608342 /nfs/dbraw/zinc/60/83/42/1049608342.db2.gz NRPNTHFMQJNIOT-GIOUXUJVSA-N 1 0 302.418 4.084 20 5 DIBDRO CCC[C@@H]1CCCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001182371019 1049636305 /nfs/dbraw/zinc/63/63/05/1049636305.db2.gz YCAQXDDCVNDONI-IAGOWNOFSA-N 1 0 304.434 4.333 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000175051249 1049646218 /nfs/dbraw/zinc/64/62/18/1049646218.db2.gz RZPPXRBJFHZFAH-QGZVFWFLSA-N 1 0 309.369 4.317 20 5 DIBDRO C[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488412904 1049651587 /nfs/dbraw/zinc/65/15/87/1049651587.db2.gz DTFNIVRCWZTPIL-LNSITVRQSA-N 1 0 308.447 4.166 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000150880388 1049776435 /nfs/dbraw/zinc/77/64/35/1049776435.db2.gz UHWWIGVFTLELPW-KRWDZBQOSA-N 1 0 320.339 4.360 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC001207526896 1049904757 /nfs/dbraw/zinc/90/47/57/1049904757.db2.gz LYOJMLBQFWEYGG-VXGBXAGGSA-N 1 0 311.341 4.148 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000588231385 1049976608 /nfs/dbraw/zinc/97/66/08/1049976608.db2.gz VZLPXFSOXXMVCC-ZBFHGGJFSA-N 1 0 320.408 4.178 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1coc2ccccc12 ZINC000589183726 1050024354 /nfs/dbraw/zinc/02/43/54/1050024354.db2.gz KCDDZPQQCVPDQZ-UHFFFAOYSA-N 1 0 310.353 4.016 20 5 DIBDRO Cc1ccc(C2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)cc1 ZINC000592186715 1050289462 /nfs/dbraw/zinc/28/94/62/1050289462.db2.gz FEEYAVYNJLKAFJ-UHFFFAOYSA-N 1 0 302.399 4.134 20 5 DIBDRO C[C@H]([NH2+]C1(c2cccc(F)c2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000592394532 1050291474 /nfs/dbraw/zinc/29/14/74/1050291474.db2.gz PFJXJMHQIXJDJB-ZDUSSCGKSA-N 1 0 314.360 4.464 20 5 DIBDRO CCC[C@H]([NH2+]C1CC(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000574109427 1050372795 /nfs/dbraw/zinc/37/27/95/1050372795.db2.gz IGZMZKMXBXZABJ-YIZWMMSDSA-N 1 0 316.323 4.367 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072474 1050382191 /nfs/dbraw/zinc/38/21/91/1050382191.db2.gz HQRKNUOIYNNMGZ-GFCCVEGCSA-N 1 0 310.344 4.085 20 5 DIBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000058828879 1050427354 /nfs/dbraw/zinc/42/73/54/1050427354.db2.gz YBRZQXMNINMPTC-UHFFFAOYSA-N 1 0 324.302 4.246 20 5 DIBDRO C[NH2+]Cc1ccc(Nc2cccc3nc4ccccc4nc32)cc1 ZINC001211131223 1050490184 /nfs/dbraw/zinc/49/01/84/1050490184.db2.gz DOTBDAWXHLHWLT-UHFFFAOYSA-N 1 0 314.392 4.246 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCc2ccccc21 ZINC000594492522 1050516578 /nfs/dbraw/zinc/51/65/78/1050516578.db2.gz NLPKPHKXGJESLJ-ZWKOTPCHSA-N 1 0 308.381 4.249 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000594507604 1050524115 /nfs/dbraw/zinc/52/41/15/1050524115.db2.gz OCABZBYWRBJTOI-IRXDYDNUSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594519338 1050531617 /nfs/dbraw/zinc/53/16/17/1050531617.db2.gz JSKQLANFEHCJCO-HOCLYGCPSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1C[NH+]1CCCC1 ZINC001211289825 1050538971 /nfs/dbraw/zinc/53/89/71/1050538971.db2.gz WCLZKBFVUOMNJT-UHFFFAOYSA-N 1 0 311.385 4.243 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1Nc1c[nH+]ccc1N1CCCCC1 ZINC001211288146 1050539578 /nfs/dbraw/zinc/53/95/78/1050539578.db2.gz HOUSTUUTAQTKBA-UHFFFAOYSA-N 1 0 312.373 4.032 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000594977346 1050572586 /nfs/dbraw/zinc/57/25/86/1050572586.db2.gz KNVZUUWIZONRIJ-LDCOFTPGSA-N 1 0 310.344 4.023 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000594968070 1050584172 /nfs/dbraw/zinc/58/41/72/1050584172.db2.gz DODDGCBWYLAGEP-QGZVFWFLSA-N 1 0 302.349 4.221 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595013016 1050585540 /nfs/dbraw/zinc/58/55/40/1050585540.db2.gz ISZKIMKKAHVFGT-DYVFJYSZSA-N 1 0 314.385 4.405 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000595006578 1050591721 /nfs/dbraw/zinc/59/17/21/1050591721.db2.gz KZDQNEJBWFASKJ-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000595006577 1050593201 /nfs/dbraw/zinc/59/32/01/1050593201.db2.gz KZDQNEJBWFASKJ-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595046997 1050602655 /nfs/dbraw/zinc/60/26/55/1050602655.db2.gz PPKXOWHEBMKMRW-ZDUSSCGKSA-N 1 0 314.385 4.017 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595292125 1050616489 /nfs/dbraw/zinc/61/64/89/1050616489.db2.gz POHYIMVPHRKTJE-QGZVFWFLSA-N 1 0 302.349 4.221 20 5 DIBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595414673 1050630130 /nfs/dbraw/zinc/63/01/30/1050630130.db2.gz JESXBEWNZSFGTG-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000595407230 1050630468 /nfs/dbraw/zinc/63/04/68/1050630468.db2.gz DREXMDYAIPDAOX-MRXNPFEDSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c(C)s1 ZINC000595414914 1050631171 /nfs/dbraw/zinc/63/11/71/1050631171.db2.gz HWWOTPPNGHRMRR-SNVBAGLBSA-N 1 0 308.378 4.263 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000595506271 1050636830 /nfs/dbraw/zinc/63/68/30/1050636830.db2.gz BRQFQPWNBBTUIG-GFCCVEGCSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]1(F)Cl ZINC000846032885 1050650251 /nfs/dbraw/zinc/65/02/51/1050650251.db2.gz NCCBWNMHFCAHIH-CHWSQXEVSA-N 1 0 321.179 4.043 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]1c1ccc(F)cc1 ZINC000595706295 1050662869 /nfs/dbraw/zinc/66/28/69/1050662869.db2.gz YIVRWSBZAKLOHF-WBMJQRKESA-N 1 0 300.333 4.242 20 5 DIBDRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000596098802 1050684185 /nfs/dbraw/zinc/68/41/85/1050684185.db2.gz TZONBLBRMPMLAW-SNVBAGLBSA-N 1 0 304.312 4.224 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000788498285 1050692557 /nfs/dbraw/zinc/69/25/57/1050692557.db2.gz MWBVRBNHTADUOC-MNOVXSKESA-N 1 0 319.792 4.242 20 5 DIBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788502848 1050692627 /nfs/dbraw/zinc/69/26/27/1050692627.db2.gz AFFILEPSEJSBJJ-UGSOOPFHSA-N 1 0 313.401 4.225 20 5 DIBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788576190 1050708477 /nfs/dbraw/zinc/70/84/77/1050708477.db2.gz YGFFTUCOGIEMDS-KGLIPLIRSA-N 1 0 313.401 4.021 20 5 DIBDRO CC(C)(C)SCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000772950545 1050741429 /nfs/dbraw/zinc/74/14/29/1050741429.db2.gz NBEWMVLETABAIJ-OAHLLOKOSA-N 1 0 322.474 4.037 20 5 DIBDRO Cc1ccc(Nc2c[nH+]ccc2N2CCCCC2)c([N+](=O)[O-])c1 ZINC001214169342 1050836381 /nfs/dbraw/zinc/83/63/81/1050836381.db2.gz IAKBFMIQJFDFBH-UHFFFAOYSA-N 1 0 312.373 4.032 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CSC(C)(C)C)cc1[N+](=O)[O-] ZINC000773046462 1051038115 /nfs/dbraw/zinc/03/81/15/1051038115.db2.gz LWQSFTHKPAIAFQ-CHWSQXEVSA-N 1 0 310.463 4.474 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc[nH]1 ZINC000773124355 1051070829 /nfs/dbraw/zinc/07/08/29/1051070829.db2.gz XQNNKJFMXMFFQT-STQMWFEESA-N 1 0 319.430 4.144 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc[nH]1 ZINC000773124352 1051071294 /nfs/dbraw/zinc/07/12/94/1051071294.db2.gz XQNNKJFMXMFFQT-OLZOCXBDSA-N 1 0 319.430 4.144 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000037010413 1051105010 /nfs/dbraw/zinc/10/50/10/1051105010.db2.gz SMDYQNWWEBOHFJ-INIZCTEOSA-N 1 0 304.777 4.489 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000036992531 1051105561 /nfs/dbraw/zinc/10/55/61/1051105561.db2.gz CYSGOORECKRWBB-QWHCGFSZSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1c(C[NH2+]C(C)(C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000103482796 1051151379 /nfs/dbraw/zinc/15/13/79/1051151379.db2.gz FSECJIQONNIWMA-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2CC2CCCC2)cc1 ZINC001171631265 1051174544 /nfs/dbraw/zinc/17/45/44/1051174544.db2.gz KBSXRWXZLGUPCV-KRWDZBQOSA-N 1 0 318.417 4.018 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170312208 1051183634 /nfs/dbraw/zinc/18/36/34/1051183634.db2.gz DSWLDFNWNGXFGW-CQSZACIVSA-N 1 0 320.433 4.094 20 5 DIBDRO Cc1ccc(C[NH2+]C2(c3ccccc3C)CCC2)cc1[N+](=O)[O-] ZINC001171700118 1051197151 /nfs/dbraw/zinc/19/71/51/1051197151.db2.gz HTWIKWHREQMXDW-UHFFFAOYSA-N 1 0 310.397 4.381 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC001168775174 1051237688 /nfs/dbraw/zinc/23/76/88/1051237688.db2.gz NJJOFJQXZIBGEG-INIZCTEOSA-N 1 0 314.385 4.234 20 5 DIBDRO Cc1c(C[N@H+](CCc2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000746118803 1051322429 /nfs/dbraw/zinc/32/24/29/1051322429.db2.gz DOYKZJAXQMDRHB-UHFFFAOYSA-N 1 0 310.397 4.110 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001168978357 1051476009 /nfs/dbraw/zinc/47/60/09/1051476009.db2.gz RHJBAVQIVYUDDS-AXFHLTTASA-N 1 0 317.216 4.089 20 5 DIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001168980094 1051477475 /nfs/dbraw/zinc/47/74/75/1051477475.db2.gz IDRKYFFLSBCZPY-ZBEGNZNMSA-N 1 0 312.360 4.322 20 5 DIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001168980090 1051477847 /nfs/dbraw/zinc/47/78/47/1051477847.db2.gz IDRKYFFLSBCZPY-BZNIZROVSA-N 1 0 312.360 4.322 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC001168957831 1051479501 /nfs/dbraw/zinc/47/95/01/1051479501.db2.gz JFKPRVWUIALASK-MISYRCLQSA-N 1 0 324.424 4.005 20 5 DIBDRO CC(C)CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168995647 1051485351 /nfs/dbraw/zinc/48/53/51/1051485351.db2.gz SIFDSLYUCUMYMG-UONOGXRCSA-N 1 0 318.408 4.016 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001168988367 1051491567 /nfs/dbraw/zinc/49/15/67/1051491567.db2.gz RHJBAVQIVYUDDS-MXWKQRLJSA-N 1 0 317.216 4.089 20 5 DIBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C ZINC001169042852 1051493907 /nfs/dbraw/zinc/49/39/07/1051493907.db2.gz GMVDZQSCVMWBHN-QRQLOZEOSA-N 1 0 316.445 4.276 20 5 DIBDRO [NH3+]Cc1cccc2c1cnn2-c1nc2ccccc2c2ccccc21 ZINC001169195318 1051544518 /nfs/dbraw/zinc/54/45/18/1051544518.db2.gz GLTHLQHCDVHHBZ-UHFFFAOYSA-N 1 0 324.387 4.186 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3ccccc3)CC1)CC2 ZINC001172897618 1051549386 /nfs/dbraw/zinc/54/93/86/1051549386.db2.gz BGTLDIZFPSIKPU-SFHVURJKSA-N 1 0 322.408 4.121 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172895804 1051568087 /nfs/dbraw/zinc/56/80/87/1051568087.db2.gz JCANCZQVABVSOG-OAHLLOKOSA-N 1 0 316.426 4.002 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172895801 1051568098 /nfs/dbraw/zinc/56/80/98/1051568098.db2.gz JCANCZQVABVSOG-HNNXBMFYSA-N 1 0 316.426 4.002 20 5 DIBDRO C[C@@H](C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172895749 1051568544 /nfs/dbraw/zinc/56/85/44/1051568544.db2.gz IPIGYZCBEMEQNP-KXBFYZLASA-N 1 0 324.424 4.236 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000761520241 1051587441 /nfs/dbraw/zinc/58/74/41/1051587441.db2.gz NDDFLYPWVRQWPO-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO Cc1ccc(Cl)cc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215782 1051632387 /nfs/dbraw/zinc/63/23/87/1051632387.db2.gz ZPYHACGBUGMVBD-ZDUSSCGKSA-N 1 0 318.804 4.277 20 5 DIBDRO Cc1cc(F)cc(C)c1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218655 1051634392 /nfs/dbraw/zinc/63/43/92/1051634392.db2.gz RJBGSUFQUPWOAL-CQSZACIVSA-N 1 0 316.376 4.072 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173220468 1051636866 /nfs/dbraw/zinc/63/68/66/1051636866.db2.gz ALRXDFVGPQGLGY-AUUYWEPGSA-N 1 0 310.397 4.111 20 5 DIBDRO Cc1ccc(Cl)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173222743 1051637021 /nfs/dbraw/zinc/63/70/21/1051637021.db2.gz YXHOHYLTUYTZBN-CYBMUJFWSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2)CCC1 ZINC001173220150 1051637071 /nfs/dbraw/zinc/63/70/71/1051637071.db2.gz UWULHIKBPOJYIE-OAHLLOKOSA-N 1 0 310.397 4.195 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001173226131 1051638651 /nfs/dbraw/zinc/63/86/51/1051638651.db2.gz HUKCJAPEUALACK-ZDUSSCGKSA-N 1 0 318.804 4.311 20 5 DIBDRO Cc1cccc(C(C)(C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173225282 1051639062 /nfs/dbraw/zinc/63/90/62/1051639062.db2.gz RPSDVNZNYNPGAY-HNNXBMFYSA-N 1 0 312.413 4.359 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001173224874 1051639073 /nfs/dbraw/zinc/63/90/73/1051639073.db2.gz HNEAVKCQLPDFFF-CABCVRRESA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC001173233948 1051640780 /nfs/dbraw/zinc/64/07/80/1051640780.db2.gz LYNSZZNPNLPNNV-VXGBXAGGSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC001173212567 1051649201 /nfs/dbraw/zinc/64/92/01/1051649201.db2.gz AZBISAZIHBNVOA-GOBPUOAWSA-N 1 0 314.429 4.084 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1C(F)F ZINC001173212324 1051649728 /nfs/dbraw/zinc/64/97/28/1051649728.db2.gz ZGWVFAHPFJNERE-LBPRGKRZSA-N 1 0 320.339 4.253 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cccc1Cl ZINC001173213912 1051649889 /nfs/dbraw/zinc/64/98/89/1051649889.db2.gz LXNTXHGJWHYLFN-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001173210477 1051650113 /nfs/dbraw/zinc/65/01/13/1051650113.db2.gz LFOBORLYRCKFIX-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1F ZINC001173213626 1051650244 /nfs/dbraw/zinc/65/02/44/1051650244.db2.gz JENRJSNMXAHPMM-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001169666392 1051670291 /nfs/dbraw/zinc/67/02/91/1051670291.db2.gz LDMTVTHBIKHEJT-HNNXBMFYSA-N 1 0 324.424 4.319 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001173238602 1051672731 /nfs/dbraw/zinc/67/27/31/1051672731.db2.gz WAJBBTGJOBTJJN-IFXJQAMLSA-N 1 0 310.397 4.145 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000609195431 1051883763 /nfs/dbraw/zinc/88/37/63/1051883763.db2.gz SLQKDJPPBJHFJQ-IBGZPJMESA-N 1 0 310.397 4.268 20 5 DIBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000609204284 1051893292 /nfs/dbraw/zinc/89/32/92/1051893292.db2.gz DARBXSGNSWGNMO-OLZOCXBDSA-N 1 0 306.406 4.002 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000494454309 1051897237 /nfs/dbraw/zinc/89/72/37/1051897237.db2.gz RVDRZNOVHVDASV-CYBMUJFWSA-N 1 0 304.312 4.138 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001217880719 1052163093 /nfs/dbraw/zinc/16/30/93/1052163093.db2.gz ISXWSJIDCBYFTE-NBHGPNQESA-N 1 0 303.405 4.118 20 5 DIBDRO C[C@@H]([N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C(C)(C)C ZINC000914569133 1052169030 /nfs/dbraw/zinc/16/90/30/1052169030.db2.gz SZYGPHBXBIRIQG-SNVBAGLBSA-N 1 0 323.418 4.196 20 5 DIBDRO CC1(C)C[C@@H](OCc2c3ccccc3nc3ccccc32)CC[NH2+]1 ZINC001217936135 1052173542 /nfs/dbraw/zinc/17/35/42/1052173542.db2.gz KVKYWFSTKTUMCV-HNNXBMFYSA-N 1 0 320.436 4.435 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001217937860 1052174872 /nfs/dbraw/zinc/17/48/72/1052174872.db2.gz NMJIPZGHKOLECW-ZLGUVYLKSA-N 1 0 303.405 4.403 20 5 DIBDRO F[C@H]1C[NH2+]CCC[C@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001217945558 1052176311 /nfs/dbraw/zinc/17/63/11/1052176311.db2.gz DPMZSURBAYYDKM-VQTJNVASSA-N 1 0 309.384 4.462 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4C[NH2+]CC[C@@H]4F)c3c2n1 ZINC001217960896 1052177967 /nfs/dbraw/zinc/17/79/67/1052177967.db2.gz XCGLNKQUYBEQQE-WMZOPIPTSA-N 1 0 324.399 4.084 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001217991876 1052182721 /nfs/dbraw/zinc/18/27/21/1052182721.db2.gz YLSYOWUBTINQOV-RHSMWYFYSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H](Oc1nc2ccccc2c2ccccc21)C1CC[NH2+]CC1 ZINC001218003222 1052183883 /nfs/dbraw/zinc/18/38/83/1052183883.db2.gz PTIJEITWSSXYND-AWEZNQCLSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1C[C@H](Oc2c3ccccc3c(O)c3ccccc32)CC[NH2+]1 ZINC001218052132 1052190194 /nfs/dbraw/zinc/19/01/94/1052190194.db2.gz BBKMOZJKUZBQQR-UONOGXRCSA-N 1 0 307.393 4.218 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2CCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001218234835 1052210146 /nfs/dbraw/zinc/21/01/46/1052210146.db2.gz LGDUORDTQIVFIY-CQSZACIVSA-N 1 0 319.404 4.220 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(OC3CC4(C3)CCC[NH2+]C4)c12 ZINC001218254188 1052214621 /nfs/dbraw/zinc/21/46/21/1052214621.db2.gz UJBOZHVHQXAKGO-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(OC3CCC4(C[NH2+]C4)CC3)c12 ZINC001218263537 1052215812 /nfs/dbraw/zinc/21/58/12/1052215812.db2.gz HXUUPRHFIWZFJT-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO C[C@H]1CC[C@H](Oc2c3ccccc3c(O)c3ccccc32)C[NH2+]1 ZINC001218406802 1052235504 /nfs/dbraw/zinc/23/55/04/1052235504.db2.gz NRDPFZMPEQUEDK-KBPBESRZSA-N 1 0 307.393 4.218 20 5 DIBDRO C[C@@H]1CC[C@@H](Oc2c3ccccc3c(O)c3ccccc32)C[NH2+]1 ZINC001218406805 1052236122 /nfs/dbraw/zinc/23/61/22/1052236122.db2.gz NRDPFZMPEQUEDK-ZIAGYGMSSA-N 1 0 307.393 4.218 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c2ccccc12 ZINC001218458827 1052241074 /nfs/dbraw/zinc/24/10/74/1052241074.db2.gz DKOPIFBGYHHVLR-FASAQXTFSA-N 1 0 319.404 4.075 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000193234395 1052260965 /nfs/dbraw/zinc/26/09/65/1052260965.db2.gz JCVSJNILFRAPHX-LLVKDONJSA-N 1 0 322.311 4.047 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000495370019 1052325276 /nfs/dbraw/zinc/32/52/76/1052325276.db2.gz ZGBOLPJEFUZKJC-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000495372915 1052326443 /nfs/dbraw/zinc/32/64/43/1052326443.db2.gz BZZRWPQAPRTBSI-NSHDSACASA-N 1 0 308.765 4.043 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000915883478 1052554215 /nfs/dbraw/zinc/55/42/15/1052554215.db2.gz MOAPQNAPOBUWSJ-ZDUSSCGKSA-N 1 0 318.804 4.277 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000090771460 1052566245 /nfs/dbraw/zinc/56/62/45/1052566245.db2.gz FJPPWCNTVIMJGX-OOHWJJMZSA-N 1 0 320.433 4.290 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OC(Cl)(Cl)c1ccc(Cl)cc1 ZINC001223128255 1052570247 /nfs/dbraw/zinc/57/02/47/1052570247.db2.gz GYDQQSVDRJLWCM-JTQLQIEISA-N 1 0 311.660 4.039 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(Sc2ccccc2)cc1 ZINC001223175796 1052576029 /nfs/dbraw/zinc/57/60/29/1052576029.db2.gz LGRRLEQHLIKXHH-MRXNPFEDSA-N 1 0 316.490 4.449 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001223186207 1052576534 /nfs/dbraw/zinc/57/65/34/1052576534.db2.gz PPJOMRGLCBITMQ-AWEZNQCLSA-N 1 0 320.403 4.166 20 5 DIBDRO C[N@@H+]1CCC[C@@H](OCc2c3ccccc3nc3ccccc32)CC1 ZINC001223334990 1052590413 /nfs/dbraw/zinc/59/04/13/1052590413.db2.gz LNXKFADBRHMWOZ-MRXNPFEDSA-N 1 0 320.436 4.389 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000488087395 1052594991 /nfs/dbraw/zinc/59/49/91/1052594991.db2.gz KBAXIVSWSYUDOG-CQSZACIVSA-N 1 0 324.380 4.151 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OC12C=CC(c3ccccc31)c1ccccc12 ZINC001223849848 1052644603 /nfs/dbraw/zinc/64/46/03/1052644603.db2.gz GCLUTKBWUUASMT-CSZIGFGKSA-N 1 0 320.456 4.057 20 5 DIBDRO C[C@H](OC1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224022877 1052661392 /nfs/dbraw/zinc/66/13/92/1052661392.db2.gz DYFHBGOQAPWUIZ-ZDUSSCGKSA-N 1 0 320.433 4.324 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000917053301 1052683716 /nfs/dbraw/zinc/68/37/16/1052683716.db2.gz ZQGBXLLNFLWDNH-SRCQZFHVSA-N 1 0 306.381 4.135 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000917067822 1052691466 /nfs/dbraw/zinc/69/14/66/1052691466.db2.gz WRLRGWYHSLFQNK-INIZCTEOSA-N 1 0 306.381 4.279 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OCCC(c1ccccc1)c1ccccc1 ZINC001224556535 1052706754 /nfs/dbraw/zinc/70/67/54/1052706754.db2.gz MUWSYDZPSPTPNY-GOSISDBHSA-N 1 0 312.477 4.320 20 5 DIBDRO C[N+](C)(C)CCCO[C@@H]1CCc2cc(Cl)c(Cl)cc21 ZINC001224624600 1052710257 /nfs/dbraw/zinc/71/02/57/1052710257.db2.gz YKGUXZBNKTWNIE-OAHLLOKOSA-N 1 0 303.253 4.094 20 5 DIBDRO C[N+](C)(C)CCCOC1c2ccccc2C=Cc2ccccc21 ZINC001224623988 1052710752 /nfs/dbraw/zinc/71/07/52/1052710752.db2.gz RZFILGMIBFCSBI-UHFFFAOYSA-N 1 0 308.445 4.373 20 5 DIBDRO COc1ccc2cc([C@H](C)OCCC[N+](C)(C)C)ccc2c1 ZINC001224624100 1052710787 /nfs/dbraw/zinc/71/07/87/1052710787.db2.gz USXJBDJNYMVIBR-HNNXBMFYSA-N 1 0 302.438 4.022 20 5 DIBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001226445333 1052896728 /nfs/dbraw/zinc/89/67/28/1052896728.db2.gz CYFLWRSLRVPUNK-SHTZXODSSA-N 1 0 320.433 4.144 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC001226811387 1052933794 /nfs/dbraw/zinc/93/37/94/1052933794.db2.gz YDLXQKXOAHNTEM-IMRBUKKESA-N 1 0 324.808 4.031 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C ZINC001226902378 1052943965 /nfs/dbraw/zinc/94/39/65/1052943965.db2.gz PZLVJGUGXDQKCS-CQSZACIVSA-O 1 0 322.513 4.461 20 5 DIBDRO CC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000609599620 1052983981 /nfs/dbraw/zinc/98/39/81/1052983981.db2.gz CDJRXUDGYFYHJB-UHFFFAOYSA-N 1 0 317.414 4.141 20 5 DIBDRO CC[N@H+](CCc1cccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705268 1052988387 /nfs/dbraw/zinc/98/83/87/1052988387.db2.gz NEQRESZWLJWRCZ-UHFFFAOYSA-N 1 0 324.833 4.374 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000609705316 1052988690 /nfs/dbraw/zinc/98/86/90/1052988690.db2.gz UIJMJDXWIUSGCN-HNNXBMFYSA-N 1 0 308.809 4.403 20 5 DIBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000610002061 1053002238 /nfs/dbraw/zinc/00/22/38/1053002238.db2.gz ZRMQXQLALAIBIS-ZFWWWQNUSA-N 1 0 306.406 4.004 20 5 DIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000610003496 1053002433 /nfs/dbraw/zinc/00/24/33/1053002433.db2.gz BFEOIIZTVOPFOQ-CQSZACIVSA-N 1 0 316.376 4.105 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ccccc2)cc1Cl ZINC001227719924 1053009985 /nfs/dbraw/zinc/00/99/85/1053009985.db2.gz NIMBTRKNBQZPDG-CQSZACIVSA-N 1 0 304.841 4.481 20 5 DIBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc2ccc3cccnc3c21 ZINC001227763621 1053014864 /nfs/dbraw/zinc/01/48/64/1053014864.db2.gz FNVCCBSQGFYJIQ-OAHLLOKOSA-N 1 0 308.425 4.497 20 5 DIBDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc3ccc4cccnc4c32)C1 ZINC001227765463 1053015127 /nfs/dbraw/zinc/01/51/27/1053015127.db2.gz VVJGQHUYVPHZMU-KRWDZBQOSA-N 1 0 306.409 4.250 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000237798991 1053028253 /nfs/dbraw/zinc/02/82/53/1053028253.db2.gz IUWNSOPTSMNMLO-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000237804931 1053028534 /nfs/dbraw/zinc/02/85/34/1053028534.db2.gz IUWNSOPTSMNMLO-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000615835243 1053033104 /nfs/dbraw/zinc/03/31/04/1053033104.db2.gz DAZWHKZBTANSQF-DKGMDFAASA-N 1 0 312.369 4.081 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000615835251 1053033460 /nfs/dbraw/zinc/03/34/60/1053033460.db2.gz DAZWHKZBTANSQF-HFQYIWAZSA-N 1 0 312.369 4.081 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Sc2ccc(O)cc2)cc1 ZINC001228105075 1053044426 /nfs/dbraw/zinc/04/44/26/1053044426.db2.gz YBLMRVBJIBLULI-AWEZNQCLSA-O 1 0 318.462 4.017 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccc(Br)cc2c1 ZINC001228110386 1053044648 /nfs/dbraw/zinc/04/46/48/1053044648.db2.gz KQYUSVJVPXXEAC-GFCCVEGCSA-N 1 0 323.254 4.076 20 5 DIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617220453 1053117219 /nfs/dbraw/zinc/11/72/19/1053117219.db2.gz BEVIRLWPHINCMU-JSGCOSHPSA-N 1 0 317.389 4.185 20 5 DIBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cccc3nc4ccccc4nc32)CC1 ZINC001228518647 1053124114 /nfs/dbraw/zinc/12/41/14/1053124114.db2.gz HVEROQHRKNNSJA-SHTZXODSSA-N 1 0 321.424 4.035 20 5 DIBDRO Cc1cc(F)cc([N+](=O)[O-])c1OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001229197414 1053271924 /nfs/dbraw/zinc/27/19/24/1053271924.db2.gz GMHGCECOJHYHLV-UHFFFAOYSA-N 1 0 324.396 4.073 20 5 DIBDRO CCCOc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000069752311 1053290008 /nfs/dbraw/zinc/29/00/08/1053290008.db2.gz OMWLIQNKPLTZDO-AWEZNQCLSA-N 1 0 314.385 4.234 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001320045704 1053298455 /nfs/dbraw/zinc/29/84/55/1053298455.db2.gz FRLCSEHLLHKYHD-HNNXBMFYSA-N 1 0 306.312 4.114 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3cnccc3c2)cc1[N+](=O)[O-] ZINC000618725857 1053353374 /nfs/dbraw/zinc/35/33/74/1053353374.db2.gz WKMOMJQNIBIXHH-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO CC[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000182221894 1053380059 /nfs/dbraw/zinc/38/00/59/1053380059.db2.gz PUWLBPXIIQJJJU-QGZVFWFLSA-N 1 0 314.360 4.464 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000182215112 1053380232 /nfs/dbraw/zinc/38/02/32/1053380232.db2.gz JARMWRVHEZIZOT-CYBMUJFWSA-N 1 0 314.360 4.382 20 5 DIBDRO CCC1(CC)CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001200127372 1053399353 /nfs/dbraw/zinc/39/93/53/1053399353.db2.gz SCGHIULPPMTNAA-UHFFFAOYSA-N 1 0 320.433 4.312 20 5 DIBDRO CC(C)[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000619069278 1053426789 /nfs/dbraw/zinc/42/67/89/1053426789.db2.gz RQHISTXEFFSAPO-UHFFFAOYSA-N 1 0 323.396 4.487 20 5 DIBDRO CCCCCc1cc(F)c(O[C@@H](C)C[N+](C)(C)C)c(F)c1 ZINC001229972329 1053443349 /nfs/dbraw/zinc/44/33/49/1053443349.db2.gz XUXCZZGKHZSSNY-ZDUSSCGKSA-N 1 0 300.413 4.171 20 5 DIBDRO Cc1c(C[NH2+]CCc2ccc(F)cc2Cl)cccc1[N+](=O)[O-] ZINC001200223920 1053482911 /nfs/dbraw/zinc/48/29/11/1053482911.db2.gz PTXMDYXYNFJMHK-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619754265 1053548899 /nfs/dbraw/zinc/54/88/99/1053548899.db2.gz VMELHZHQNKWAIU-QWHCGFSZSA-N 1 0 304.415 4.328 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000619781364 1053559080 /nfs/dbraw/zinc/55/90/80/1053559080.db2.gz NOZOBHZMVJUTLB-DLBZAZTESA-N 1 0 318.417 4.127 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000037775649 1053564524 /nfs/dbraw/zinc/56/45/24/1053564524.db2.gz YHEMCFPTWVDCBE-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cc2ccccc2[nH]1 ZINC001323321141 1053575058 /nfs/dbraw/zinc/57/50/58/1053575058.db2.gz FBBFGANNNONWNL-TWGQIWQCSA-N 1 0 321.380 4.221 20 5 DIBDRO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000183335255 1053633900 /nfs/dbraw/zinc/63/39/00/1053633900.db2.gz YVVVJBDGRMSCEU-LBPRGKRZSA-N 1 0 319.430 4.170 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cc2ccccc2o1 ZINC001200640488 1053842726 /nfs/dbraw/zinc/84/27/26/1053842726.db2.gz SMOGYJCPCYNHOF-UHFFFAOYSA-N 1 0 324.380 4.290 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327256432 1053845556 /nfs/dbraw/zinc/84/55/56/1053845556.db2.gz YEVKCMABMKZLPY-KKQPEOFXSA-N 1 0 322.355 4.022 20 5 DIBDRO CCC[C@H](CCc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001200724282 1053922668 /nfs/dbraw/zinc/92/26/68/1053922668.db2.gz VENFSHPUPFFUOP-GOSISDBHSA-N 1 0 312.413 4.486 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC001329112519 1053967538 /nfs/dbraw/zinc/96/75/38/1053967538.db2.gz FVQFPCKQQYOJDQ-IRXDYDNUSA-N 1 0 314.360 4.462 20 5 DIBDRO F[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232217866 1053993700 /nfs/dbraw/zinc/99/37/00/1053993700.db2.gz ASAOECJLSZQEOG-INIZCTEOSA-N 1 0 309.388 4.107 20 5 DIBDRO CC1(C)CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232220796 1053996483 /nfs/dbraw/zinc/99/64/83/1053996483.db2.gz CPKCNHZUSZYTBU-UHFFFAOYSA-N 1 0 305.425 4.405 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C2(CC2)C1 ZINC001232227001 1053996607 /nfs/dbraw/zinc/99/66/07/1053996607.db2.gz ZEMPEHZKMFPMKS-AWEZNQCLSA-N 1 0 303.409 4.157 20 5 DIBDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232221740 1053996922 /nfs/dbraw/zinc/99/69/22/1053996922.db2.gz DKJYEZFQCXJBQO-LSDHHAIUSA-N 1 0 305.425 4.403 20 5 DIBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1OCc1ccccc1 ZINC001233607643 1054309843 /nfs/dbraw/zinc/30/98/43/1054309843.db2.gz NPMXQYSCFHSZQL-KRWDZBQOSA-N 1 0 314.449 4.048 20 5 DIBDRO CC(C)[NH+]1CCC(Oc2ccnc3c2ccc2cccnc23)CC1 ZINC001234088808 1054431826 /nfs/dbraw/zinc/43/18/26/1054431826.db2.gz YXQASGNRYZXFJG-UHFFFAOYSA-N 1 0 321.424 4.035 20 5 DIBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234086414 1054432479 /nfs/dbraw/zinc/43/24/79/1054432479.db2.gz FJSQEAUFLBZOPM-INIZCTEOSA-N 1 0 321.424 4.035 20 5 DIBDRO Clc1c2ccccc2c(CN2C[C@@H]3C[NH2+]C[C@H]32)c2ccccc12 ZINC001236297308 1055050563 /nfs/dbraw/zinc/05/05/63/1055050563.db2.gz UYJXKGRKRVNXGC-ORAYPTAESA-N 1 0 322.839 4.050 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000765435961 1055389145 /nfs/dbraw/zinc/38/91/45/1055389145.db2.gz DZFFYTIRIRSDGX-ZFWWWQNUSA-N 1 0 314.385 4.021 20 5 DIBDRO CCC[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001620888562 1055513090 /nfs/dbraw/zinc/51/30/90/1055513090.db2.gz KDNOLIYBMRINAD-GOSISDBHSA-N 1 0 312.413 4.311 20 5 DIBDRO CCc1cccc(Cl)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001620920635 1055543190 /nfs/dbraw/zinc/54/31/90/1055543190.db2.gz XEKHQSMYCKWOOC-UHFFFAOYSA-N 1 0 318.804 4.143 20 5 DIBDRO CC1(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001620925779 1055544506 /nfs/dbraw/zinc/54/45/06/1055544506.db2.gz WCZVALMFAOKTEG-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO C[C@@H](CCCO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001620950726 1055567382 /nfs/dbraw/zinc/56/73/82/1055567382.db2.gz LIOQRUVSKNQCSG-INIZCTEOSA-N 1 0 307.437 4.491 20 5 DIBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001168570319 1055656228 /nfs/dbraw/zinc/65/62/28/1055656228.db2.gz MNEAUPBZKTYTCE-ZYHUDNBSSA-N 1 0 316.323 4.377 20 5 DIBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001168570318 1055657278 /nfs/dbraw/zinc/65/72/78/1055657278.db2.gz MNEAUPBZKTYTCE-PWSUYJOCSA-N 1 0 316.323 4.377 20 5 DIBDRO CC(C)[C@H]1CCCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001168580483 1055763022 /nfs/dbraw/zinc/76/30/22/1055763022.db2.gz OBQOXWMTWQPQDT-MRXNPFEDSA-N 1 0 312.360 4.274 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC001620971936 1055773752 /nfs/dbraw/zinc/77/37/52/1055773752.db2.gz FODZLFNJLITWLR-AWEZNQCLSA-N 1 0 320.433 4.300 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)s2)cc1 ZINC001620976537 1055845089 /nfs/dbraw/zinc/84/50/89/1055845089.db2.gz GCDKZQQSKVLKPH-BTTYYORXSA-N 1 0 314.410 4.211 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC001617390253 1055946754 /nfs/dbraw/zinc/94/67/54/1055946754.db2.gz JWEQSBGLXWNLAD-CPUCHLNUSA-N 1 0 320.433 4.296 20 5 DIBDRO C[C@H](Cc1ccccc1Cl)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000765775081 1055980288 /nfs/dbraw/zinc/98/02/88/1055980288.db2.gz OFRKHOQUYTVHME-CYBMUJFWSA-N 1 0 318.804 4.012 20 5 DIBDRO CSCC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001620805068 1056000461 /nfs/dbraw/zinc/00/04/61/1056000461.db2.gz IFXNXFBCHXAFSI-GFCCVEGCSA-N 1 0 320.414 4.086 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccncc1 ZINC001620810084 1056003088 /nfs/dbraw/zinc/00/30/88/1056003088.db2.gz CIIDFZLZHNECPO-KRWDZBQOSA-N 1 0 313.401 4.354 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C1CCC1 ZINC001621341633 1056049638 /nfs/dbraw/zinc/04/96/38/1056049638.db2.gz UMPWRVNFNFAUKJ-AWEZNQCLSA-N 1 0 304.434 4.332 20 5 DIBDRO Cc1ccc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001611805690 1056193176 /nfs/dbraw/zinc/19/31/76/1056193176.db2.gz GAZXHSYLUCFMJA-HZPDHXFCSA-N 1 0 319.449 4.073 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001615290148 1056486399 /nfs/dbraw/zinc/48/63/99/1056486399.db2.gz BVHHCHADTCWAFV-RDJZCZTQSA-N 1 0 310.397 4.454 20 5 DIBDRO c1cnc2c(c1)ccc1cc(-c3ccc4c(c3)CC[NH2+]C4)cnc12 ZINC001240456795 1056518939 /nfs/dbraw/zinc/51/89/39/1056518939.db2.gz IZIZOPCMLYGRKD-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC001615640088 1056552044 /nfs/dbraw/zinc/55/20/44/1056552044.db2.gz QUNZSJYTUCZPJT-ZIAGYGMSSA-N 1 0 306.406 4.002 20 5 DIBDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001615818218 1056579160 /nfs/dbraw/zinc/57/91/60/1056579160.db2.gz REHIKYUCKULZPI-LLVKDONJSA-N 1 0 324.833 4.373 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCCCC2(F)F)C2CC2)c1 ZINC001615930513 1056597457 /nfs/dbraw/zinc/59/74/57/1056597457.db2.gz BNAPLNYUJYKXIM-AWEZNQCLSA-N 1 0 324.371 4.385 20 5 DIBDRO CCc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001615932386 1056598403 /nfs/dbraw/zinc/59/84/03/1056598403.db2.gz RTSONBZMGYFCMR-UHFFFAOYSA-N 1 0 310.397 4.322 20 5 DIBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC001616308905 1056631781 /nfs/dbraw/zinc/63/17/81/1056631781.db2.gz LLPKIKXISJBHNS-BBRMVZONSA-N 1 0 306.406 4.004 20 5 DIBDRO c1ccc2cc3cc(-c4cc5c(nn4)CC[NH2+]C5)ccc3cc2c1 ZINC001240680295 1056637057 /nfs/dbraw/zinc/63/70/57/1056637057.db2.gz SETUIQWOXAJJJA-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC001616793818 1056718061 /nfs/dbraw/zinc/71/80/61/1056718061.db2.gz DDQAKSXFZPUYAL-IBGZPJMESA-N 1 0 310.397 4.324 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001617275953 1056804979 /nfs/dbraw/zinc/80/49/79/1056804979.db2.gz YJWPPTSJJNUEFY-CXAGYDPISA-N 1 0 308.397 4.428 20 5 DIBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC001617381317 1056823802 /nfs/dbraw/zinc/82/38/02/1056823802.db2.gz FUYXPHMWKSMFJU-MRXNPFEDSA-N 1 0 316.445 4.430 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCc2ccccc2CC1 ZINC001617968893 1056908901 /nfs/dbraw/zinc/90/89/01/1056908901.db2.gz NCUNLVOXAVZERH-MRXNPFEDSA-N 1 0 324.424 4.455 20 5 DIBDRO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000922537267 1057030089 /nfs/dbraw/zinc/03/00/89/1057030089.db2.gz DJNUUULCUWLULD-LLVKDONJSA-N 1 0 317.414 4.170 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2-c1ncc2c(n1)C[NH2+]CC2 ZINC001241378432 1057030814 /nfs/dbraw/zinc/03/08/14/1057030814.db2.gz FQXVKLLTUXZUQO-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO Cc1nc(C(C)(C)NCc2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000124722199 1057049318 /nfs/dbraw/zinc/04/93/18/1057049318.db2.gz WAZYMZWYAJIXLA-UHFFFAOYSA-N 1 0 319.430 4.001 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCc2cccnc21 ZINC000922880450 1057073219 /nfs/dbraw/zinc/07/32/19/1057073219.db2.gz CDKMTKWPVIJPQQ-RMHQSFGDSA-N 1 0 323.396 4.060 20 5 DIBDRO CCOc1ccccc1CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000096956086 1057096331 /nfs/dbraw/zinc/09/63/31/1057096331.db2.gz VRWMQODRIDGODI-CQSZACIVSA-N 1 0 314.385 4.187 20 5 DIBDRO COc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000302189483 1057103233 /nfs/dbraw/zinc/10/32/33/1057103233.db2.gz QMUWBDAUSLYNNP-UHFFFAOYSA-N 1 0 323.352 4.072 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000163118468 1057158958 /nfs/dbraw/zinc/15/89/58/1057158958.db2.gz USPNPAUGDKXSHC-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163361817 1057165757 /nfs/dbraw/zinc/16/57/57/1057165757.db2.gz FPXFCUWYIFUMMC-QWRGUYRKSA-N 1 0 304.312 4.367 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3C3CC3)o2)c1 ZINC000611268563 1057587614 /nfs/dbraw/zinc/58/76/14/1057587614.db2.gz PKNQPIOTJOVZLE-KRWDZBQOSA-N 1 0 312.369 4.229 20 5 DIBDRO COc1ccc(C)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000611335522 1057591738 /nfs/dbraw/zinc/59/17/38/1057591738.db2.gz MNEDACDCMOHXDP-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c(F)c1 ZINC000611395883 1057597542 /nfs/dbraw/zinc/59/75/42/1057597542.db2.gz XAEKOCMRGSJNOP-SFHVURJKSA-N 1 0 314.360 4.365 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000611433888 1057599319 /nfs/dbraw/zinc/59/93/19/1057599319.db2.gz QJHXHUBICSLMPA-SFHVURJKSA-N 1 0 314.360 4.283 20 5 DIBDRO Cc1c(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000611554970 1057605704 /nfs/dbraw/zinc/60/57/04/1057605704.db2.gz DOUNWMPQPOGZHC-ZWNOBZJWSA-N 1 0 316.323 4.066 20 5 DIBDRO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001559510492 1059299835 /nfs/dbraw/zinc/29/98/35/1059299835.db2.gz JKPAVEMEGGMOSD-NSHDSACASA-N 1 0 316.323 4.236 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001559569808 1059401578 /nfs/dbraw/zinc/40/15/78/1059401578.db2.gz HNUHVUQRVOXXDP-SFHVURJKSA-N 1 0 312.413 4.356 20 5 DIBDRO Cc1c(C[NH+]2CCC(C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC001559576772 1059409549 /nfs/dbraw/zinc/40/95/49/1059409549.db2.gz LEGLDXUADYYMPQ-UHFFFAOYSA-N 1 0 302.418 4.305 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCC(C)C)CC1 ZINC001559601888 1059434698 /nfs/dbraw/zinc/43/46/98/1059434698.db2.gz SFOOALFFVRUDQB-UHFFFAOYSA-N 1 0 320.433 4.252 20 5 DIBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC001559625439 1059452918 /nfs/dbraw/zinc/45/29/18/1059452918.db2.gz SKPQBUYRVLTGBM-CQSZACIVSA-N 1 0 324.396 4.143 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001559644903 1059468540 /nfs/dbraw/zinc/46/85/40/1059468540.db2.gz PANYNHKUJIZQGQ-HOCLYGCPSA-N 1 0 308.397 4.428 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CCC(C)C)ccc1[N+](=O)[O-] ZINC001559647059 1059472123 /nfs/dbraw/zinc/47/21/23/1059472123.db2.gz YWDXSQPPFLAYIN-MRXNPFEDSA-N 1 0 320.433 4.394 20 5 DIBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001559647284 1059474872 /nfs/dbraw/zinc/47/48/72/1059474872.db2.gz DGKMYYZYATYBKK-UKRRQHHQSA-N 1 0 306.406 4.004 20 5 DIBDRO CC(C)(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001559665349 1059496237 /nfs/dbraw/zinc/49/62/37/1059496237.db2.gz JBGRVVDFJKOCDQ-UHFFFAOYSA-N 1 0 302.418 4.386 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001559697287 1059526970 /nfs/dbraw/zinc/52/69/70/1059526970.db2.gz YOGOXONYGCMHAK-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC001559772493 1059609557 /nfs/dbraw/zinc/60/95/57/1059609557.db2.gz BORUKJNTNLQIAF-HKUYNNGSSA-N 1 0 324.424 4.486 20 5 DIBDRO Cc1ccccc1CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001559831527 1059665097 /nfs/dbraw/zinc/66/50/97/1059665097.db2.gz VSDVROODEOZRLH-UHFFFAOYSA-N 1 0 312.413 4.010 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC[C@@]2(C)CC(C)C)ccc1[N+](=O)[O-] ZINC001559854237 1059676872 /nfs/dbraw/zinc/67/68/72/1059676872.db2.gz UZGGZGNWVWWRGS-SFHVURJKSA-N 1 0 320.433 4.394 20 5 DIBDRO Cc1ccccc1CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001559868688 1059688582 /nfs/dbraw/zinc/68/85/82/1059688582.db2.gz XRGKECBTUQDRRN-UHFFFAOYSA-N 1 0 312.413 4.361 20 5 DIBDRO CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)c1ccsc1 ZINC001559919690 1059732996 /nfs/dbraw/zinc/73/29/96/1059732996.db2.gz OQRGRMVMBYWJRD-GFCCVEGCSA-N 1 0 320.414 4.334 20 5 DIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC001559970308 1059775939 /nfs/dbraw/zinc/77/59/39/1059775939.db2.gz LTYXVHMLHMZYTQ-SFHVURJKSA-N 1 0 318.417 4.018 20 5 DIBDRO [NH3+][C@H]1C[C@@H](c2nc(-c3cc4ccccc4c4ccccc34)no2)C1 ZINC001248310093 1059780487 /nfs/dbraw/zinc/78/04/87/1059780487.db2.gz KPRRKWCWSZHNGH-OKILXGFUSA-N 1 0 315.376 4.248 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001559990660 1059797596 /nfs/dbraw/zinc/79/75/96/1059797596.db2.gz VDASEEQSWJHHDQ-HNNXBMFYSA-N 1 0 324.424 4.492 20 5 DIBDRO CCCCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560017503 1059820460 /nfs/dbraw/zinc/82/04/60/1059820460.db2.gz LQICVWPKSGFHIZ-SJLPKXTDSA-N 1 0 320.433 4.063 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2CC2CCC2)c(F)c1 ZINC001560017940 1059828243 /nfs/dbraw/zinc/82/82/43/1059828243.db2.gz ZELXWNMTWVECNV-HNNXBMFYSA-N 1 0 306.381 4.279 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](C3CCCCC3)C2)cc1 ZINC001560024897 1059840166 /nfs/dbraw/zinc/84/01/66/1059840166.db2.gz XHTGVHPCRKSSRL-SFHVURJKSA-N 1 0 316.445 4.430 20 5 DIBDRO C/C=C/C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001560041652 1059858361 /nfs/dbraw/zinc/85/83/61/1059858361.db2.gz SRUIREGZHSSXKP-YWVDXFKGSA-N 1 0 308.809 4.426 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCSCC2)CC1 ZINC001560047274 1059864579 /nfs/dbraw/zinc/86/45/79/1059864579.db2.gz BIKLHIBAFVJGHM-AWEZNQCLSA-N 1 0 320.458 4.265 20 5 DIBDRO C[NH+](C)Cc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001248604094 1059909861 /nfs/dbraw/zinc/90/98/61/1059909861.db2.gz MSNVOUMSGWGFNZ-UHFFFAOYSA-N 1 0 305.765 4.053 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC001560152103 1059950082 /nfs/dbraw/zinc/95/00/82/1059950082.db2.gz ARDCWPXLXBYIKV-OAHLLOKOSA-N 1 0 320.751 4.164 20 5 DIBDRO C[C@@]1(c2nc(-c3cc4ccccc4c4ccccc34)no2)CC[NH2+]1 ZINC001248725531 1059955208 /nfs/dbraw/zinc/95/52/08/1059955208.db2.gz HFEKHSGYSJWLFQ-FQEVSTJZSA-N 1 0 315.376 4.252 20 5 DIBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC001560319287 1060104243 /nfs/dbraw/zinc/10/42/43/1060104243.db2.gz YKRUGBBQUWJXOS-HOCLYGCPSA-N 1 0 320.433 4.298 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC001560394868 1060181004 /nfs/dbraw/zinc/18/10/04/1060181004.db2.gz RXTHQTGIMZKGIJ-INIZCTEOSA-N 1 0 308.447 4.094 20 5 DIBDRO CSCc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC001560444252 1060234882 /nfs/dbraw/zinc/23/48/82/1060234882.db2.gz IFNKOGWOOHMCOH-UHFFFAOYSA-N 1 0 316.426 4.056 20 5 DIBDRO COc1ccc(C[NH2+]CC2(C)CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC001560506939 1060303680 /nfs/dbraw/zinc/30/36/80/1060303680.db2.gz WDNNIABFODKGCE-UHFFFAOYSA-N 1 0 320.433 4.300 20 5 DIBDRO COC[C@H](CC(C)(C)C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001560517718 1060317063 /nfs/dbraw/zinc/31/70/63/1060317063.db2.gz UWJWVOLGJWMNSP-MBSJSRAVSA-N 1 0 320.433 4.039 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC001560535580 1060341180 /nfs/dbraw/zinc/34/11/80/1060341180.db2.gz ZZQMZTZKCVGGPD-MRXNPFEDSA-N 1 0 300.358 4.133 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc2[nH]ccc21 ZINC001560567485 1060378026 /nfs/dbraw/zinc/37/80/26/1060378026.db2.gz IZVHSAQYIUWUKO-UVTDQMKNSA-N 1 0 321.380 4.269 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)o2)c1 ZINC001560615638 1060429652 /nfs/dbraw/zinc/42/96/52/1060429652.db2.gz WXFPDGFHTQKTHD-AFAVFJNCSA-N 1 0 312.369 4.133 20 5 DIBDRO COC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCCCC1 ZINC001560682954 1060526079 /nfs/dbraw/zinc/52/60/79/1060526079.db2.gz UMQGVWKMPLUYRN-UHFFFAOYSA-N 1 0 320.433 4.155 20 5 DIBDRO CNc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001560682741 1060528036 /nfs/dbraw/zinc/52/80/36/1060528036.db2.gz QESPNMZZQHTVNL-UHFFFAOYSA-N 1 0 313.401 4.047 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/c1ccccc1 ZINC001560708448 1060563083 /nfs/dbraw/zinc/56/30/83/1060563083.db2.gz KRMJPDBPEFCOEF-JCVNQNCUSA-N 1 0 310.397 4.219 20 5 DIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001560715445 1060572212 /nfs/dbraw/zinc/57/22/12/1060572212.db2.gz IKYAFKPDDIMSFZ-PHIMTYICSA-N 1 0 316.323 4.092 20 5 DIBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC001560786729 1060648582 /nfs/dbraw/zinc/64/85/82/1060648582.db2.gz AHQPTOOOVDFKKU-JHJVBQTASA-N 1 0 310.825 4.410 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC3CCC2CC3)cc1Cl ZINC001560900104 1060761995 /nfs/dbraw/zinc/76/19/95/1060761995.db2.gz LHTCYHOANOGECQ-UXUKBGGZSA-N 1 0 308.809 4.164 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(c2ccccc2)C1 ZINC001560942418 1060806464 /nfs/dbraw/zinc/80/64/64/1060806464.db2.gz OXAWUAFMVREPKF-LFIBNONCSA-N 1 0 322.408 4.272 20 5 DIBDRO C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001561004725 1060862824 /nfs/dbraw/zinc/86/28/24/1060862824.db2.gz TVXPRLQMPBHFHE-KCXAZCMYSA-N 1 0 320.433 4.228 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC1CC=CC1 ZINC001561002619 1060863147 /nfs/dbraw/zinc/86/31/47/1060863147.db2.gz KNVNWJKMOUEFHU-UHFFFAOYSA-N 1 0 315.200 4.348 20 5 DIBDRO CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001462147929 1060968928 /nfs/dbraw/zinc/96/89/28/1060968928.db2.gz KADQTLKFVHDQCX-QAPCUYQASA-N 1 0 302.418 4.062 20 5 DIBDRO CC[C@H](C)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473204487 1060970449 /nfs/dbraw/zinc/97/04/49/1060970449.db2.gz SMDMDIOOABQGCK-AWEZNQCLSA-N 1 0 308.422 4.250 20 5 DIBDRO CC(C)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001473227275 1061004770 /nfs/dbraw/zinc/00/47/70/1061004770.db2.gz MDINAYLPNBWCML-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001462210511 1061029288 /nfs/dbraw/zinc/02/92/88/1061029288.db2.gz KXQAFVILXPHQJF-LXZKKBNFSA-N 1 0 302.418 4.084 20 5 DIBDRO CCOc1cc(C[NH2+][C@H](CC)C2CCCCC2)ccc1[N+](=O)[O-] ZINC001473312713 1061077650 /nfs/dbraw/zinc/07/76/50/1061077650.db2.gz RLDOCDFHCWEACB-MRXNPFEDSA-N 1 0 320.433 4.442 20 5 DIBDRO Cc1cc(C)cc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC001462286563 1061081219 /nfs/dbraw/zinc/08/12/19/1061081219.db2.gz YLDKZZAXGARMLJ-UHFFFAOYSA-N 1 0 312.413 4.279 20 5 DIBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001473384175 1061127704 /nfs/dbraw/zinc/12/77/04/1061127704.db2.gz JTHMPIQFXOENEP-HZMBPMFUSA-N 1 0 316.323 4.282 20 5 DIBDRO C[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001473416236 1061148881 /nfs/dbraw/zinc/14/88/81/1061148881.db2.gz LJTDTGDBAYNRPY-HNNXBMFYSA-N 1 0 304.434 4.286 20 5 DIBDRO CCOc1cc(C[NH2+]C(C)(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC001473425522 1061155680 /nfs/dbraw/zinc/15/56/80/1061155680.db2.gz HPCCDGIJNXZJRQ-UHFFFAOYSA-N 1 0 320.433 4.442 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001473461658 1061173993 /nfs/dbraw/zinc/17/39/93/1061173993.db2.gz CIAUXEIACXTTGT-UHFFFAOYSA-N 1 0 308.381 4.032 20 5 DIBDRO Cc1ccccc1OCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000538224494 1061181556 /nfs/dbraw/zinc/18/15/56/1061181556.db2.gz DREDPAKKWBUFOM-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001473492254 1061187290 /nfs/dbraw/zinc/18/72/90/1061187290.db2.gz DOJBWKRSPPWGJI-OAHLLOKOSA-N 1 0 314.360 4.114 20 5 DIBDRO CCC1(CC)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001473641243 1061311756 /nfs/dbraw/zinc/31/17/56/1061311756.db2.gz JQWPRQPOXKOGQD-UHFFFAOYSA-N 1 0 306.406 4.006 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC001473663329 1061324920 /nfs/dbraw/zinc/32/49/20/1061324920.db2.gz JMELIIZJPFNDAQ-INIZCTEOSA-N 1 0 318.417 4.148 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccsc2)c(Cl)c1 ZINC001462664520 1061325701 /nfs/dbraw/zinc/32/57/01/1061325701.db2.gz IKKACQCAYHCQIR-UHFFFAOYSA-N 1 0 310.806 4.032 20 5 DIBDRO CC[C@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001473705757 1061357929 /nfs/dbraw/zinc/35/79/29/1061357929.db2.gz DFVOSWUQVBMVGF-HNNXBMFYSA-N 1 0 308.378 4.210 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000540394676 1061469026 /nfs/dbraw/zinc/46/90/26/1061469026.db2.gz CEMCUWFUSXMOSE-UONOGXRCSA-N 1 0 310.397 4.495 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC001473959072 1061501615 /nfs/dbraw/zinc/50/16/15/1061501615.db2.gz JROPIIZRWMVLOS-YLJPPSQVSA-N 1 0 302.418 4.414 20 5 DIBDRO CC[C@@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001474032500 1061576288 /nfs/dbraw/zinc/57/62/88/1061576288.db2.gz MKPHLYONLIUIHN-WBVHZDCISA-N 1 0 304.434 4.476 20 5 DIBDRO C[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC001474131434 1061677169 /nfs/dbraw/zinc/67/71/69/1061677169.db2.gz IQKMPOHAYYUFOG-HNNXBMFYSA-N 1 0 304.434 4.333 20 5 DIBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC001458337824 1061704083 /nfs/dbraw/zinc/70/40/83/1061704083.db2.gz LHZJZIHYCDYFAC-UHFFFAOYSA-N 1 0 317.433 4.053 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCC23CC3)o1 ZINC001474230627 1061793202 /nfs/dbraw/zinc/79/32/02/1061793202.db2.gz VJNJSHICDNKJFE-KRWDZBQOSA-N 1 0 312.369 4.277 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC001474240144 1061800509 /nfs/dbraw/zinc/80/05/09/1061800509.db2.gz UFNNSJJVUWCVOU-OAHLLOKOSA-N 1 0 312.413 4.262 20 5 DIBDRO CCC[C@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001474252884 1061820751 /nfs/dbraw/zinc/82/07/51/1061820751.db2.gz ZOLBHNSAZSVIKS-NSHDSACASA-N 1 0 316.348 4.112 20 5 DIBDRO CC[NH+](CC)C[C@@H](O)CNc1c2ccccc2cc2ccccc21 ZINC001253201579 1061827455 /nfs/dbraw/zinc/82/74/55/1061827455.db2.gz RRAZVFLMBCLSSI-SFHVURJKSA-N 1 0 322.452 4.108 20 5 DIBDRO CC(C)(C)[NH2+]C[C@@H](O)CNc1ccc2cc3ccccc3cc2c1 ZINC001253400128 1061887042 /nfs/dbraw/zinc/88/70/42/1061887042.db2.gz LCJMZVUZPXSNCL-FQEVSTJZSA-N 1 0 322.452 4.154 20 5 DIBDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474396680 1062054195 /nfs/dbraw/zinc/05/41/95/1062054195.db2.gz MRJAEGBFIOLNIN-CVEARBPZSA-N 1 0 310.825 4.349 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001474405499 1062069362 /nfs/dbraw/zinc/06/93/62/1062069362.db2.gz WVHOJFBTDQWOPX-CVEARBPZSA-N 1 0 302.418 4.224 20 5 DIBDRO CC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001459358509 1062110340 /nfs/dbraw/zinc/11/03/40/1062110340.db2.gz WXAHDECZWVHMBC-HNNXBMFYSA-N 1 0 306.406 4.147 20 5 DIBDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001474460961 1062140134 /nfs/dbraw/zinc/14/01/34/1062140134.db2.gz JTKXWGBCCRDCAG-DZGCQCFKSA-N 1 0 308.397 4.428 20 5 DIBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001474460962 1062140204 /nfs/dbraw/zinc/14/02/04/1062140204.db2.gz JTKXWGBCCRDCAG-HIFRSBDPSA-N 1 0 308.397 4.428 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001254535794 1062164276 /nfs/dbraw/zinc/16/42/76/1062164276.db2.gz LAGAOWVINGCJJM-CXAGYDPISA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Cl)ccc1F ZINC001254537307 1062165423 /nfs/dbraw/zinc/16/54/23/1062165423.db2.gz ZLVFXYBOZBWTTO-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254540346 1062167030 /nfs/dbraw/zinc/16/70/30/1062167030.db2.gz RTCWTKPGWBHBDW-KDOFPFPSSA-N 1 0 310.397 4.111 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254540345 1062167044 /nfs/dbraw/zinc/16/70/44/1062167044.db2.gz RTCWTKPGWBHBDW-KBXCAEBGSA-N 1 0 310.397 4.111 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1csc(Cl)c1 ZINC001254539266 1062167465 /nfs/dbraw/zinc/16/74/65/1062167465.db2.gz CIZONQALEITTNC-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO Cc1ccc(C(C)(C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254541169 1062168251 /nfs/dbraw/zinc/16/82/51/1062168251.db2.gz YYEHVGZSWPQYQT-OAHLLOKOSA-N 1 0 312.413 4.359 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001254542946 1062169431 /nfs/dbraw/zinc/16/94/31/1062169431.db2.gz QKVXGOKYOUJMJZ-VXGBXAGGSA-N 1 0 320.339 4.155 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001254543573 1062169454 /nfs/dbraw/zinc/16/94/54/1062169454.db2.gz TZRYJNVZTJBMPX-CVEARBPZSA-N 1 0 312.413 4.493 20 5 DIBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001459494399 1062169829 /nfs/dbraw/zinc/16/98/29/1062169829.db2.gz VXWFJQTUJKYUIJ-CQSZACIVSA-N 1 0 308.397 4.382 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001254543788 1062169952 /nfs/dbraw/zinc/16/99/52/1062169952.db2.gz HCGQKBMBWUQCJP-NEPJUHHUSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001254542762 1062170603 /nfs/dbraw/zinc/17/06/03/1062170603.db2.gz ASVQOXPAPJUUKF-DOMZBBRYSA-N 1 0 324.371 4.083 20 5 DIBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254542908 1062170658 /nfs/dbraw/zinc/17/06/58/1062170658.db2.gz PTBCGSYUCUAIKI-CVEARBPZSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001254542763 1062170715 /nfs/dbraw/zinc/17/07/15/1062170715.db2.gz ASVQOXPAPJUUKF-IUODEOHRSA-N 1 0 324.371 4.083 20 5 DIBDRO CC(C)[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550540 1062173004 /nfs/dbraw/zinc/17/30/04/1062173004.db2.gz LNTKDJPHVZKXSS-INIZCTEOSA-N 1 0 312.413 4.436 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001254550553 1062173102 /nfs/dbraw/zinc/17/31/02/1062173102.db2.gz LREDUEPWZWSOHO-LSDHHAIUSA-N 1 0 310.397 4.145 20 5 DIBDRO Cc1ccccc1C(C)(C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254549795 1062173902 /nfs/dbraw/zinc/17/39/02/1062173902.db2.gz WNKRKCBTQZPTPB-HNNXBMFYSA-N 1 0 312.413 4.359 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001254548959 1062174303 /nfs/dbraw/zinc/17/43/03/1062174303.db2.gz OIOPLCKCNMQDLW-ZYSHUDEJSA-N 1 0 324.424 4.452 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCCc1ccccc1 ZINC001254562857 1062178786 /nfs/dbraw/zinc/17/87/86/1062178786.db2.gz PWLWXZYWCCIZBF-INIZCTEOSA-N 1 0 312.413 4.090 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001254561163 1062180297 /nfs/dbraw/zinc/18/02/97/1062180297.db2.gz FOLSDFXWNUVSTB-MAUKXSAKSA-N 1 0 310.397 4.363 20 5 DIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC001459520825 1062180636 /nfs/dbraw/zinc/18/06/36/1062180636.db2.gz ANTCZQLHPWANDT-DLBZAZTESA-N 1 0 320.433 4.010 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001254559220 1062180986 /nfs/dbraw/zinc/18/09/86/1062180986.db2.gz JTMXFHPVUKBITD-INMHGKMJSA-N 1 0 302.418 4.180 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1Cl ZINC001254572348 1062186894 /nfs/dbraw/zinc/18/68/94/1062186894.db2.gz LJEFIECIBUANGY-BXUZGUMPSA-N 1 0 316.788 4.066 20 5 DIBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254586540 1062188861 /nfs/dbraw/zinc/18/88/61/1062188861.db2.gz LLAFNPUBEZQOMV-WMLDXEAASA-N 1 0 310.397 4.030 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254581044 1062189754 /nfs/dbraw/zinc/18/97/54/1062189754.db2.gz JJNJJYKUJFWWFU-RDTXWAMCSA-N 1 0 310.397 4.030 20 5 DIBDRO Cc1cccc(C2([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCC2)c1 ZINC001254585813 1062189799 /nfs/dbraw/zinc/18/97/99/1062189799.db2.gz GPDBZHCBVKLEIT-SFHVURJKSA-N 1 0 322.408 4.039 20 5 DIBDRO CCCC1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254583588 1062190062 /nfs/dbraw/zinc/19/00/62/1062190062.db2.gz ZSUKELXYQAGPHL-IMRCBTMISA-N 1 0 302.418 4.011 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1C ZINC001254580922 1062190547 /nfs/dbraw/zinc/19/05/47/1062190547.db2.gz HZZCQXWXKPNONF-VQIMIIECSA-N 1 0 310.397 4.111 20 5 DIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254600169 1062195692 /nfs/dbraw/zinc/19/56/92/1062195692.db2.gz QHOJVAMTPITOAE-UXHICEINSA-N 1 0 322.408 4.208 20 5 DIBDRO CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602386 1062196210 /nfs/dbraw/zinc/19/62/10/1062196210.db2.gz FGBSQTFLHZISBO-OALUTQOASA-N 1 0 310.397 4.145 20 5 DIBDRO CC1(C)[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001474570898 1062279607 /nfs/dbraw/zinc/27/96/07/1062279607.db2.gz BFMYZXIQRXOXTJ-OALUTQOASA-N 1 0 324.424 4.167 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001474589615 1062300376 /nfs/dbraw/zinc/30/03/76/1062300376.db2.gz WVCLRRZYCYHYPT-FHLIZLRMSA-N 1 0 316.445 4.474 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)s1 ZINC001459823561 1062428769 /nfs/dbraw/zinc/42/87/69/1062428769.db2.gz ACXGDKWSUPGHSX-LBPRGKRZSA-N 1 0 304.415 4.432 20 5 DIBDRO CC[C@@H](Cc1cccs1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001474705095 1062431347 /nfs/dbraw/zinc/43/13/47/1062431347.db2.gz XOBJFLGVGIWFSL-OCCSQVGLSA-N 1 0 304.415 4.328 20 5 DIBDRO C[N@H+](CCCc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001459892291 1062478939 /nfs/dbraw/zinc/47/89/39/1062478939.db2.gz KTIWBTQOXRSQCJ-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001459986598 1062550901 /nfs/dbraw/zinc/55/09/01/1062550901.db2.gz SYUZWWASOYIBTR-XJKSGUPXSA-N 1 0 306.406 4.052 20 5 DIBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001459986594 1062551087 /nfs/dbraw/zinc/55/10/87/1062551087.db2.gz SYUZWWASOYIBTR-CZUORRHYSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460076114 1062618145 /nfs/dbraw/zinc/61/81/45/1062618145.db2.gz SBTGCDUAGCCSGN-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC001460079420 1062621479 /nfs/dbraw/zinc/62/14/79/1062621479.db2.gz MPJHVYKCUHBMOV-UOIKSKOESA-N 1 0 320.433 4.296 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001460126771 1062649087 /nfs/dbraw/zinc/64/90/87/1062649087.db2.gz FPYVPXHXGDXEBJ-HNNXBMFYSA-N 1 0 314.360 4.114 20 5 DIBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001460221618 1062706767 /nfs/dbraw/zinc/70/67/67/1062706767.db2.gz DMFJMOABSPNQSQ-HKUYNNGSSA-N 1 0 310.397 4.363 20 5 DIBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001460263530 1062737744 /nfs/dbraw/zinc/73/77/44/1062737744.db2.gz IKSLFXGDGHWJKU-ZBFHGGJFSA-N 1 0 308.397 4.381 20 5 DIBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001460269340 1062745358 /nfs/dbraw/zinc/74/53/58/1062745358.db2.gz CSADAMHBOZKATL-MRXNPFEDSA-N 1 0 318.417 4.006 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001460317914 1062777618 /nfs/dbraw/zinc/77/76/18/1062777618.db2.gz UJNSXAQKKAYSQW-AWEZNQCLSA-N 1 0 306.381 4.279 20 5 DIBDRO Cc1ccc(C2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC001460341375 1062792421 /nfs/dbraw/zinc/79/24/21/1062792421.db2.gz VKOMVDRPWRJQEK-UHFFFAOYSA-N 1 0 310.397 4.115 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC001460947137 1063153704 /nfs/dbraw/zinc/15/37/04/1063153704.db2.gz KEKCBWNGIXJPDR-KRWDZBQOSA-N 1 0 302.418 4.305 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccc(Cl)s1 ZINC001461058772 1063223813 /nfs/dbraw/zinc/22/38/13/1063223813.db2.gz ZATVYADBHIPVAP-UHFFFAOYSA-N 1 0 324.833 4.259 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC001461165166 1063302535 /nfs/dbraw/zinc/30/25/35/1063302535.db2.gz FDZZMZAPPLOREK-GOEBONIOSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)c1cccc(F)c1 ZINC001461162762 1063303308 /nfs/dbraw/zinc/30/33/08/1063303308.db2.gz RELMLQQLXVIIJJ-ZDUSSCGKSA-N 1 0 316.376 4.244 20 5 DIBDRO CSCC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461216374 1063340292 /nfs/dbraw/zinc/34/02/92/1063340292.db2.gz CMUVUYRLTCAKOJ-LBPRGKRZSA-N 1 0 320.414 4.086 20 5 DIBDRO Cc1c(CSCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC001473012437 1063354136 /nfs/dbraw/zinc/35/41/36/1063354136.db2.gz JNPUZNJKNNLHDV-UHFFFAOYSA-N 1 0 310.463 4.255 20 5 DIBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001473184224 1063493553 /nfs/dbraw/zinc/49/35/53/1063493553.db2.gz DURDBAWANLGYFP-WDEREUQCSA-N 1 0 316.323 4.234 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCC1(F)F ZINC001461526855 1063558928 /nfs/dbraw/zinc/55/89/28/1063558928.db2.gz BGXUIAYSJNLONU-UZGISAJGSA-N 1 0 324.371 4.413 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC2CCC1CC2 ZINC001461592475 1063601973 /nfs/dbraw/zinc/60/19/73/1063601973.db2.gz OMAJFCWXHXFIGX-RWSUNYPLSA-N 1 0 314.429 4.414 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1C[C@@H](C)C[C@H](C)C1 ZINC001461622101 1063619734 /nfs/dbraw/zinc/61/97/34/1063619734.db2.gz UABOMFRKGKYVAR-STQMWFEESA-N 1 0 304.434 4.374 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001461651479 1063637217 /nfs/dbraw/zinc/63/72/17/1063637217.db2.gz ASXFKLOZCUFMGH-YBEGLDIGSA-N 1 0 310.397 4.405 20 5 DIBDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603873231 1064007383 /nfs/dbraw/zinc/00/73/83/1064007383.db2.gz BXJBABZPZADPKI-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 ZINC001306924937 1065207029 /nfs/dbraw/zinc/20/70/29/1065207029.db2.gz PYYKLCCJKJYESD-SFHVURJKSA-N 1 0 319.449 4.216 20 5 DIBDRO O=[N+]([O-])c1ccc(Nc2ccc3[nH+]ccn3c2)cc1C(F)(F)F ZINC001307172176 1065292760 /nfs/dbraw/zinc/29/27/60/1065292760.db2.gz IXCXDILLWMYEJS-UHFFFAOYSA-N 1 0 322.246 4.005 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC001307416618 1065376842 /nfs/dbraw/zinc/37/68/42/1065376842.db2.gz ZMKYTMWTEYSQEG-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCc1ccccc1F ZINC001307457349 1065411299 /nfs/dbraw/zinc/41/12/99/1065411299.db2.gz DPIVOWNBZXRRFO-AWEZNQCLSA-N 1 0 316.376 4.278 20 5 DIBDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001307556578 1065480680 /nfs/dbraw/zinc/48/06/80/1065480680.db2.gz DPRPZQBQBRNCHX-MRXNPFEDSA-N 1 0 320.433 4.264 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001307615488 1065519218 /nfs/dbraw/zinc/51/92/18/1065519218.db2.gz BBHBQHFMTAOHJT-GDBMZVCRSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC001307614998 1065519533 /nfs/dbraw/zinc/51/95/33/1065519533.db2.gz OVUIGUYCWYVUIN-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO Cc1ccc(F)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001307647305 1065540097 /nfs/dbraw/zinc/54/00/97/1065540097.db2.gz BBZOYKVKLCALIT-UHFFFAOYSA-N 1 0 314.360 4.207 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1Cl ZINC001307716953 1065580337 /nfs/dbraw/zinc/58/03/37/1065580337.db2.gz PKVYRDFXSSCSMB-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001307722686 1065586387 /nfs/dbraw/zinc/58/63/87/1065586387.db2.gz XBEXQFIVWQXPLL-CYBMUJFWSA-N 1 0 306.406 4.004 20 5 DIBDRO CC(C)c1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001307761194 1065609009 /nfs/dbraw/zinc/60/90/09/1065609009.db2.gz QCQFLOOWPAPYJD-UHFFFAOYSA-N 1 0 312.413 4.393 20 5 DIBDRO COc1ccc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC001307910482 1065678744 /nfs/dbraw/zinc/67/87/44/1065678744.db2.gz LEIBYMGCZFPJAA-INIZCTEOSA-N 1 0 318.417 4.006 20 5 DIBDRO C[C@]12C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001308119939 1065769246 /nfs/dbraw/zinc/76/92/46/1065769246.db2.gz VSTUYTKQDXAPJW-MAQMMGONSA-N 1 0 320.820 4.116 20 5 DIBDRO Cc1c(C[NH2+]C[C@]2(C)CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC001308360930 1065939296 /nfs/dbraw/zinc/93/92/96/1065939296.db2.gz RTYRBNNDTKGJAF-FQEVSTJZSA-N 1 0 324.424 4.287 20 5 DIBDRO CS[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001308368963 1065945729 /nfs/dbraw/zinc/94/57/29/1065945729.db2.gz DCOCXUKOIQEAKC-RCBBPTIPSA-N 1 0 322.474 4.365 20 5 DIBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308433313 1065984659 /nfs/dbraw/zinc/98/46/59/1065984659.db2.gz UVRDOMCMQJQDQC-RHSMWYFYSA-N 1 0 314.385 4.379 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C(C)(F)F ZINC001308492497 1066026732 /nfs/dbraw/zinc/02/67/32/1066026732.db2.gz KYNAJDKCGOUQKX-XYOKQWHBSA-N 1 0 312.360 4.269 20 5 DIBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001308536450 1066053610 /nfs/dbraw/zinc/05/36/10/1066053610.db2.gz YTZUPEOAFUFLRQ-YQQAZPJKSA-N 1 0 302.418 4.280 20 5 DIBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001308536452 1066054118 /nfs/dbraw/zinc/05/41/18/1066054118.db2.gz YTZUPEOAFUFLRQ-ZMSDIMECSA-N 1 0 302.418 4.280 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC001308608969 1066116728 /nfs/dbraw/zinc/11/67/28/1066116728.db2.gz MZUQYOZFPJFSHC-IFXJQAMLSA-N 1 0 310.397 4.405 20 5 DIBDRO Cc1ccc([C@@H](C)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001308629916 1066126894 /nfs/dbraw/zinc/12/68/94/1066126894.db2.gz NSEJDLWOUFHQRD-HNNXBMFYSA-N 1 0 310.397 4.065 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC001308642278 1066134342 /nfs/dbraw/zinc/13/43/42/1066134342.db2.gz KJZCUKRRZJYELJ-HOTGVXAUSA-N 1 0 322.836 4.349 20 5 DIBDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308700885 1066187348 /nfs/dbraw/zinc/18/73/48/1066187348.db2.gz DHESGBXEBYJNDS-NSHDSACASA-N 1 0 316.323 4.378 20 5 DIBDRO CC(C)[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCCC2 ZINC001308815747 1066290831 /nfs/dbraw/zinc/29/08/31/1066290831.db2.gz KPRLWXAQFNCALK-INIZCTEOSA-N 1 0 306.381 4.135 20 5 DIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCC1CCC1 ZINC001308868196 1066349985 /nfs/dbraw/zinc/34/99/85/1066349985.db2.gz MLFWVVYEANFMNJ-UHFFFAOYSA-N 1 0 316.323 4.284 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC3(CC3)CC2)c(Cl)c1 ZINC001308884220 1066362366 /nfs/dbraw/zinc/36/23/66/1066362366.db2.gz MXGNUBQVUPTORG-UHFFFAOYSA-N 1 0 308.809 4.308 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001308937697 1066409041 /nfs/dbraw/zinc/40/90/41/1066409041.db2.gz VMKXACWYOJNTQU-WHOFXGATSA-N 1 0 308.447 4.166 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001308975459 1066427442 /nfs/dbraw/zinc/42/74/42/1066427442.db2.gz UIKIEWBPVYJOTR-VGAPYMQISA-N 1 0 314.429 4.084 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000078995811 185142987 /nfs/dbraw/zinc/14/29/87/185142987.db2.gz XXRGGTYLRNRFAR-UONOGXRCSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])cc1 ZINC000061359971 184169031 /nfs/dbraw/zinc/16/90/31/184169031.db2.gz XKBFJSKLYFGYKP-NHYWBVRUSA-N 1 0 302.399 4.385 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000274129628 130209674 /nfs/dbraw/zinc/20/96/74/130209674.db2.gz HZRMTAIDHLYXAK-NSHDSACASA-N 1 0 306.312 4.383 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000297211759 132004219 /nfs/dbraw/zinc/00/42/19/132004219.db2.gz GQXKWVKKYLLXNZ-YVEFUNNKSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(F)c1 ZINC000297348280 132010989 /nfs/dbraw/zinc/01/09/89/132010989.db2.gz OYRBXRZKEQVOEW-VHSXEESVSA-N 1 0 324.302 4.424 20 5 DIBDRO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297338782 132011559 /nfs/dbraw/zinc/01/15/59/132011559.db2.gz OIGMLTFZLBVHOG-WDEREUQCSA-N 1 0 306.387 4.077 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000297479389 132018695 /nfs/dbraw/zinc/01/86/95/132018695.db2.gz ZDGLLBPXGLPRCL-QWHCGFSZSA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)C ZINC000538019461 331564177 /nfs/dbraw/zinc/56/41/77/331564177.db2.gz RXBMBJAKNPPOIO-RLFYNMQTSA-N 1 0 320.433 4.005 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC(F)(F)C1 ZINC000537957804 331778167 /nfs/dbraw/zinc/77/81/67/331778167.db2.gz VCBMNTAXZKWDLL-JSGCOSHPSA-N 1 0 312.360 4.083 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C1CC1)C1CC1 ZINC000526046914 331816871 /nfs/dbraw/zinc/81/68/71/331816871.db2.gz GSQIHQJEULETEB-LCYFTJDESA-N 1 0 300.402 4.024 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000128246031 332011005 /nfs/dbraw/zinc/01/10/05/332011005.db2.gz IZQRYHYONNXIDU-CYBMUJFWSA-N 1 0 322.817 4.477 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)o1 ZINC000409647495 332043510 /nfs/dbraw/zinc/04/35/10/332043510.db2.gz JNUJHGRGYUOTRH-UHFFFAOYSA-N 1 0 322.364 4.187 20 5 DIBDRO CCOc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000159391105 332082628 /nfs/dbraw/zinc/08/26/28/332082628.db2.gz HQWXIEQIRVPFJM-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO CCOc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000159390945 332082634 /nfs/dbraw/zinc/08/26/34/332082634.db2.gz IRFJGNQJTFKTNB-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO CCOc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000159390825 332082683 /nfs/dbraw/zinc/08/26/83/332082683.db2.gz IRFJGNQJTFKTNB-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO C[C@H]([NH2+][C@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000091959863 332097201 /nfs/dbraw/zinc/09/72/01/332097201.db2.gz JWZHNOTWRKGOIN-NHYWBVRUSA-N 1 0 300.383 4.092 20 5 DIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000181278266 332189955 /nfs/dbraw/zinc/18/99/55/332189955.db2.gz WDXMAYWFNPZESL-XCRHUMRWSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000049963701 332331304 /nfs/dbraw/zinc/33/13/04/332331304.db2.gz KHDOXCFQWYJOMG-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CSc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151720580 332606693 /nfs/dbraw/zinc/60/66/93/332606693.db2.gz BPISZOWCNOFJRN-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000323521711 332687814 /nfs/dbraw/zinc/68/78/14/332687814.db2.gz UGKQNTWQAXUKIP-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000053148084 332961845 /nfs/dbraw/zinc/96/18/45/332961845.db2.gz KKWZGBIBUKOXDW-MRXNPFEDSA-N 1 0 304.777 4.489 20 5 DIBDRO Cc1cc(N[C@@H](C)c2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181422290 333030303 /nfs/dbraw/zinc/03/03/03/333030303.db2.gz QBUFNJSKMVPCLR-LBPRGKRZSA-N 1 0 308.341 4.020 20 5 DIBDRO CCC[C@H]([NH2+]CCc1csc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000319043444 333249287 /nfs/dbraw/zinc/24/92/87/333249287.db2.gz AWUKUXFKGXLCOK-INIZCTEOSA-N 1 0 319.430 4.033 20 5 DIBDRO CC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502603440 333304104 /nfs/dbraw/zinc/30/41/04/333304104.db2.gz WRKSKBRAWCQTBA-WFASDCNBSA-N 1 0 312.360 4.461 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000121432589 333386459 /nfs/dbraw/zinc/38/64/59/333386459.db2.gz WZTOPJPGEXUINN-NSHDSACASA-N 1 0 322.311 4.047 20 5 DIBDRO Cc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000391110842 333420306 /nfs/dbraw/zinc/42/03/06/333420306.db2.gz UHASNLNPQWMSOL-LJQANCHMSA-N 1 0 310.397 4.453 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1ccncc1F)c1cccc([N+](=O)[O-])c1 ZINC000338021504 333467703 /nfs/dbraw/zinc/46/77/03/333467703.db2.gz PSWAAPBKYQIRPU-PXAZEXFGSA-N 1 0 317.364 4.321 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)sc2C)cc1[N+](=O)[O-] ZINC000098124398 333507894 /nfs/dbraw/zinc/50/78/94/333507894.db2.gz GVUQABURFFRGEU-LLVKDONJSA-N 1 0 320.414 4.133 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000531724600 333544153 /nfs/dbraw/zinc/54/41/53/333544153.db2.gz ILHNXOIBQGDOMZ-TZMCWYRMSA-N 1 0 318.442 4.494 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000320818218 335148213 /nfs/dbraw/zinc/14/82/13/335148213.db2.gz YAFOWQHACGYVJQ-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000271651748 334025045 /nfs/dbraw/zinc/02/50/45/334025045.db2.gz BGAZKQXIHLRDDI-WDEREUQCSA-N 1 0 319.430 4.334 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000438472380 334117468 /nfs/dbraw/zinc/11/74/68/334117468.db2.gz XSNVHMYHNPEOIT-IYNGYCSASA-N 1 0 316.323 4.175 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438472383 334117479 /nfs/dbraw/zinc/11/74/79/334117479.db2.gz XSNVHMYHNPEOIT-SCXUMTSISA-N 1 0 316.323 4.175 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000531947962 334302707 /nfs/dbraw/zinc/30/27/07/334302707.db2.gz UYZPYGPNFWSBPA-WMLDXEAASA-N 1 0 310.397 4.111 20 5 DIBDRO CC(C)Oc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000535076985 334365188 /nfs/dbraw/zinc/36/51/88/334365188.db2.gz BBHQOUPJWFIWJE-UHFFFAOYSA-N 1 0 314.385 4.014 20 5 DIBDRO CCC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000443106746 338444974 /nfs/dbraw/zinc/44/49/74/338444974.db2.gz XHRXDXKXESRWIX-INIZCTEOSA-N 1 0 304.415 4.330 20 5 DIBDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000563682354 334377741 /nfs/dbraw/zinc/37/77/41/334377741.db2.gz ZBPAWEUHZPOOQQ-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188114373 334642426 /nfs/dbraw/zinc/64/24/26/334642426.db2.gz GKRGVZSTYJRCDY-RYUDHWBXSA-N 1 0 320.414 4.009 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000417311868 334705026 /nfs/dbraw/zinc/70/50/26/334705026.db2.gz QMFBLDFUASQTBS-PAPYEOQZSA-N 1 0 316.426 4.499 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417344483 334705882 /nfs/dbraw/zinc/70/58/82/334705882.db2.gz SCYMLQLGVULGKI-SHUKQUCYSA-N 1 0 316.426 4.499 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000050443873 334713302 /nfs/dbraw/zinc/71/33/02/334713302.db2.gz DEQIWVQTGAHWLZ-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000094259810 335732804 /nfs/dbraw/zinc/73/28/04/335732804.db2.gz XDNXHIOETZHZOY-GFCCVEGCSA-N 1 0 304.415 4.285 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000051627643 335756355 /nfs/dbraw/zinc/75/63/55/335756355.db2.gz SZXWPCQHHWMPNR-OAHLLOKOSA-N 1 0 304.777 4.489 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000532200584 335915251 /nfs/dbraw/zinc/91/52/51/335915251.db2.gz XCNGCYFEIACWQP-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000532461398 336248762 /nfs/dbraw/zinc/24/87/62/336248762.db2.gz NQLVCHKUAUNIPB-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000043389837 336255120 /nfs/dbraw/zinc/25/51/20/336255120.db2.gz SNIOWEGDOCBGEL-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000105022341 336286868 /nfs/dbraw/zinc/28/68/68/336286868.db2.gz MHWJXUWDVPQZLX-CQSZACIVSA-N 1 0 314.385 4.187 20 5 DIBDRO CC1CC[NH+](C2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000301790635 336330036 /nfs/dbraw/zinc/33/00/36/336330036.db2.gz YYSOZIAFELNUSP-UHFFFAOYSA-N 1 0 317.433 4.050 20 5 DIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1sccc1[N+](=O)[O-] ZINC000301931918 336338628 /nfs/dbraw/zinc/33/86/28/336338628.db2.gz MFBRJEIXHJHNNF-UHFFFAOYSA-N 1 0 319.430 4.109 20 5 DIBDRO C[C@H]([NH2+]C(C)(C)CNc1sccc1[N+](=O)[O-])c1ccccc1 ZINC000301976215 336340908 /nfs/dbraw/zinc/34/09/08/336340908.db2.gz CJFBXNCVPSPPBH-LBPRGKRZSA-N 1 0 319.430 4.198 20 5 DIBDRO Cc1c(C[NH2+]Cc2cc3cc(F)ccc3o2)cccc1[N+](=O)[O-] ZINC000359803731 336688074 /nfs/dbraw/zinc/68/80/74/336688074.db2.gz NPKNJMNCETTWKM-UHFFFAOYSA-N 1 0 314.316 4.078 20 5 DIBDRO CC[C@@H](NCCC[NH+](C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361802993 336773409 /nfs/dbraw/zinc/77/34/09/336773409.db2.gz CLQQMVVZMNORPY-GOSISDBHSA-N 1 0 321.465 4.144 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000361964771 336779973 /nfs/dbraw/zinc/77/99/73/336779973.db2.gz CEKRYDQVKCVDHP-KBXCAEBGSA-N 1 0 313.401 4.052 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181616364 337183457 /nfs/dbraw/zinc/18/34/57/337183457.db2.gz AVDIWRXDGACEDB-GOSISDBHSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)n1 ZINC000186749694 337259233 /nfs/dbraw/zinc/25/92/33/337259233.db2.gz QCEDTWHHTHEEGD-UHFFFAOYSA-N 1 0 313.401 4.017 20 5 DIBDRO CC1(C)CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000321412358 337262922 /nfs/dbraw/zinc/26/29/22/337262922.db2.gz JMQYQQNEPJMVFL-QGZVFWFLSA-N 1 0 310.397 4.497 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](c1cccs1)C1CC1 ZINC000571820820 337578260 /nfs/dbraw/zinc/57/82/60/337578260.db2.gz WTUZMRCEVVXYRK-WMLDXEAASA-N 1 0 314.410 4.385 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000536873068 337758344 /nfs/dbraw/zinc/75/83/44/337758344.db2.gz WBEYGLCQINPVJG-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1cccnc1[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000118840356 337851997 /nfs/dbraw/zinc/85/19/97/337851997.db2.gz SJVLPDCUYKJJTK-RHSMWYFYSA-N 1 0 313.401 4.346 20 5 DIBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000119405126 337859355 /nfs/dbraw/zinc/85/93/55/337859355.db2.gz WYIZCDFIRUUVOQ-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1OC ZINC000089513291 337870527 /nfs/dbraw/zinc/87/05/27/337870527.db2.gz WGLXGIDUMFZLSH-QGZVFWFLSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000120564399 337877685 /nfs/dbraw/zinc/87/76/85/337877685.db2.gz ZFHJGHHFUMTJGY-ZIAGYGMSSA-N 1 0 302.374 4.168 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000122864453 337924650 /nfs/dbraw/zinc/92/46/50/337924650.db2.gz LTRNRFYTFLHXOW-DRZSPHRISA-N 1 0 316.323 4.367 20 5 DIBDRO Cc1cc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000537222587 337924961 /nfs/dbraw/zinc/92/49/61/337924961.db2.gz ATOSWPXEGATJJU-MRXNPFEDSA-N 1 0 320.389 4.345 20 5 DIBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000537306417 337930026 /nfs/dbraw/zinc/93/00/26/337930026.db2.gz HANFDXCYDLWSJV-VMPITWQZSA-N 1 0 302.399 4.194 20 5 DIBDRO COC1CCC(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000515294507 337984575 /nfs/dbraw/zinc/98/45/75/337984575.db2.gz SKPKAQLBFIKSPB-HPUBIQBYSA-N 1 0 320.433 4.149 20 5 DIBDRO CSc1ccccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429246270 338074592 /nfs/dbraw/zinc/07/45/92/338074592.db2.gz NEPPGLVZFUNBMX-UHFFFAOYSA-N 1 0 316.426 4.342 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429272907 338075652 /nfs/dbraw/zinc/07/56/52/338075652.db2.gz LBTTVODISVGDFN-HOTGVXAUSA-N 1 0 310.397 4.223 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000430210419 338101620 /nfs/dbraw/zinc/10/16/20/338101620.db2.gz DDRASMDDCINDFJ-NSHDSACASA-N 1 0 320.414 4.133 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430221465 338102106 /nfs/dbraw/zinc/10/21/06/338102106.db2.gz RWVHFNDNFIZXMM-CYBMUJFWSA-N 1 0 314.385 4.017 20 5 DIBDRO Cc1cscc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433059015 338179158 /nfs/dbraw/zinc/17/91/58/338179158.db2.gz BZZLHXLZJDZXDL-MRXNPFEDSA-N 1 0 316.426 4.477 20 5 DIBDRO Cc1ccccc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433125869 338182523 /nfs/dbraw/zinc/18/25/23/338182523.db2.gz MESJIOWRQRJAEQ-GOSISDBHSA-N 1 0 310.397 4.415 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]CCc2cccs2)c2cc([N+](=O)[O-])ccc21 ZINC000433174023 338184114 /nfs/dbraw/zinc/18/41/14/338184114.db2.gz MAAJGFQRXNNXMY-MRXNPFEDSA-N 1 0 316.426 4.211 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000152800889 338212113 /nfs/dbraw/zinc/21/21/13/338212113.db2.gz MPGHTIQUNCECKW-FZKQIMNGSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000152800794 338212173 /nfs/dbraw/zinc/21/21/73/338212173.db2.gz MPGHTIQUNCECKW-ACJLOTCBSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000434894090 338226941 /nfs/dbraw/zinc/22/69/41/338226941.db2.gz DGOFRAVZBBHROH-HNAYVOBHSA-N 1 0 310.397 4.015 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435785247 338249118 /nfs/dbraw/zinc/24/91/18/338249118.db2.gz BDDOLRZMAOHOIL-LNVFRSGMSA-N 1 0 308.381 4.144 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435785249 338249122 /nfs/dbraw/zinc/24/91/22/338249122.db2.gz BDDOLRZMAOHOIL-WCEHBFACSA-N 1 0 308.381 4.144 20 5 DIBDRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447518652 338553660 /nfs/dbraw/zinc/55/36/60/338553660.db2.gz DCQXFPKXSYNTEF-SCLBCKFNSA-N 1 0 314.385 4.176 20 5 DIBDRO CCc1ccccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447545094 338555953 /nfs/dbraw/zinc/55/59/53/338555953.db2.gz XAPUQHYZZSODHS-LJQANCHMSA-N 1 0 310.397 4.324 20 5 DIBDRO Cc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1F ZINC000449244789 338606107 /nfs/dbraw/zinc/60/61/07/338606107.db2.gz VUFAINGQJISMLC-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCCc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000449348873 338616200 /nfs/dbraw/zinc/61/62/00/338616200.db2.gz HOIHOWGTDDIIFG-KRWDZBQOSA-N 1 0 314.360 4.210 20 5 DIBDRO Cc1csc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000453314042 338823124 /nfs/dbraw/zinc/82/31/24/338823124.db2.gz ICNOUJNGSLVHKG-MRXNPFEDSA-N 1 0 302.399 4.132 20 5 DIBDRO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453327670 338825608 /nfs/dbraw/zinc/82/56/08/338825608.db2.gz ZPYRZQISZUJVGW-WBAXXEDZSA-N 1 0 320.433 4.087 20 5 DIBDRO CC[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000195548090 338904565 /nfs/dbraw/zinc/90/45/65/338904565.db2.gz UAFYYQUZGFLVAF-SFHVURJKSA-N 1 0 323.396 4.360 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCSc2ccccc2)cc1[N+](=O)[O-] ZINC000195678290 338913924 /nfs/dbraw/zinc/91/39/24/338913924.db2.gz KJOSAOHCUNZJTL-CQSZACIVSA-N 1 0 316.426 4.346 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccccc2Cl)cc1 ZINC000462762462 339087421 /nfs/dbraw/zinc/08/74/21/339087421.db2.gz KAWSRYXNUMFCQM-UHFFFAOYSA-N 1 0 318.804 4.361 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463020238 339100791 /nfs/dbraw/zinc/10/07/91/339100791.db2.gz BZJOYWUUPAZHOL-KGLIPLIRSA-N 1 0 316.323 4.148 20 5 DIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463025101 339101089 /nfs/dbraw/zinc/10/10/89/339101089.db2.gz ROSAOIZGYJTJMM-KGLIPLIRSA-N 1 0 316.323 4.148 20 5 DIBDRO CCSCC[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000464054413 339131996 /nfs/dbraw/zinc/13/19/96/339131996.db2.gz UJMIZVHAIIQGRS-ZDUSSCGKSA-N 1 0 310.463 4.340 20 5 DIBDRO CCC[N@H+](CCc1cccs1)Cc1csc([N+](=O)[O-])c1 ZINC000464581340 339145853 /nfs/dbraw/zinc/14/58/53/339145853.db2.gz GEWCBWYRJZNUOL-UHFFFAOYSA-N 1 0 310.444 4.173 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000464725127 339149979 /nfs/dbraw/zinc/14/99/79/339149979.db2.gz MCPAXQAKZQHKKU-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000464777110 339152788 /nfs/dbraw/zinc/15/27/88/339152788.db2.gz MJOHEGUSUWPQFZ-UHFFFAOYSA-N 1 0 318.417 4.018 20 5 DIBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000464849775 339157725 /nfs/dbraw/zinc/15/77/25/339157725.db2.gz IQYLYRVVVDPGQN-WMLDXEAASA-N 1 0 314.385 4.204 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000467209573 339228381 /nfs/dbraw/zinc/22/83/81/339228381.db2.gz XPCFSGZUNYIVHL-PBHICJAKSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000467835112 339247269 /nfs/dbraw/zinc/24/72/69/339247269.db2.gz YMPDYERXTWGUMW-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467851275 339247657 /nfs/dbraw/zinc/24/76/57/339247657.db2.gz MDOGIXKBOGNLGQ-CYBMUJFWSA-N 1 0 314.360 4.116 20 5 DIBDRO Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)c21 ZINC000467869316 339248130 /nfs/dbraw/zinc/24/81/30/339248130.db2.gz SYFSYFSYYJIQOL-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1ccc(C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000467998771 339250754 /nfs/dbraw/zinc/25/07/54/339250754.db2.gz RWSJHMLLOGAFBX-IBGZPJMESA-N 1 0 324.424 4.057 20 5 DIBDRO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468040811 339252226 /nfs/dbraw/zinc/25/22/26/339252226.db2.gz SDYZFFBXAMPLMD-QMMMGPOBSA-N 1 0 310.703 4.069 20 5 DIBDRO CCS[C@@H]1CCCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000468229971 339256785 /nfs/dbraw/zinc/25/67/85/339256785.db2.gz JKFYTNXDIMGOAI-ZIAGYGMSSA-N 1 0 308.447 4.263 20 5 DIBDRO C[C@H](CCc1ccco1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468385193 339261245 /nfs/dbraw/zinc/26/12/45/339261245.db2.gz UZVXYWQLZXZSOU-HUUCEWRRSA-N 1 0 316.401 4.120 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000468616031 339267117 /nfs/dbraw/zinc/26/71/17/339267117.db2.gz VUVFSGVWRFFCPL-UVQBRAAOSA-N 1 0 310.397 4.391 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000469810413 339301678 /nfs/dbraw/zinc/30/16/78/339301678.db2.gz XCIYZEUOLVIYQL-STQMWFEESA-N 1 0 306.406 4.223 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000470173320 339312662 /nfs/dbraw/zinc/31/26/62/339312662.db2.gz AQSCETHXYDUSFA-DEQJRXDXSA-N 1 0 311.385 4.163 20 5 DIBDRO CSCC[C@@H](C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174030 339312818 /nfs/dbraw/zinc/31/28/18/339312818.db2.gz HMENDYMRGMBOQC-QLKUMGTLSA-N 1 0 308.447 4.072 20 5 DIBDRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000471598395 339348822 /nfs/dbraw/zinc/34/88/22/339348822.db2.gz WPHZCOGYFWUBAE-KRWDZBQOSA-N 1 0 310.397 4.379 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCC4(CC4)C3)o2)cc1 ZINC000473060347 339380841 /nfs/dbraw/zinc/38/08/41/339380841.db2.gz VDELFQFVQORHNZ-UHFFFAOYSA-N 1 0 312.369 4.231 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000480724529 339584747 /nfs/dbraw/zinc/58/47/47/339584747.db2.gz VSXSDDQQIDONKP-LESCRADOSA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000482134699 339624244 /nfs/dbraw/zinc/62/42/44/339624244.db2.gz LWJRLXCHHQMHPH-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483660627 339671130 /nfs/dbraw/zinc/67/11/30/339671130.db2.gz MOMLUUZURAMZHK-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000483715592 339672453 /nfs/dbraw/zinc/67/24/53/339672453.db2.gz QTRVIYZRLKSSNY-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO CC[C@@H]([NH2+]Cc1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000487266837 339748001 /nfs/dbraw/zinc/74/80/01/339748001.db2.gz JPSDFJBDBQVBFN-CQSZACIVSA-N 1 0 317.414 4.170 20 5 DIBDRO C[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000488442127 339782492 /nfs/dbraw/zinc/78/24/92/339782492.db2.gz MKKVRROJAXHFKK-ZOWXZIJZSA-N 1 0 308.447 4.166 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2c(c1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000492195445 339893856 /nfs/dbraw/zinc/89/38/56/339893856.db2.gz VYHNVSSIYRYNRQ-UHFFFAOYSA-N 1 0 310.397 4.108 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCC(F)(F)F)c2ccccc2)c1 ZINC000493279339 339921824 /nfs/dbraw/zinc/92/18/24/339921824.db2.gz XUPYDXXVYSRETH-OAHLLOKOSA-N 1 0 324.302 4.226 20 5 DIBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494468323 339950306 /nfs/dbraw/zinc/95/03/06/339950306.db2.gz SGSBWNUKYZHTIR-VHSXEESVSA-N 1 0 304.312 4.138 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000495427237 339984248 /nfs/dbraw/zinc/98/42/48/339984248.db2.gz QKJQLSNPEJCJHN-NSHDSACASA-N 1 0 322.792 4.297 20 5 DIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000500240361 340053888 /nfs/dbraw/zinc/05/38/88/340053888.db2.gz MXTOFNXEWYWUET-LJQANCHMSA-N 1 0 310.397 4.149 20 5 DIBDRO CCSCCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000500393343 340056430 /nfs/dbraw/zinc/05/64/30/340056430.db2.gz AZZNOMMRCCVZCC-UHFFFAOYSA-N 1 0 320.414 4.088 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC(F)(F)CC1 ZINC000500437531 340058626 /nfs/dbraw/zinc/05/86/26/340058626.db2.gz DBOFNMIHUSFTHT-UKTHLTGXSA-N 1 0 324.371 4.413 20 5 DIBDRO CC[C@H]1C[C@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000500505759 340060998 /nfs/dbraw/zinc/06/09/98/340060998.db2.gz ZHAXEAVAFCROCF-QFBILLFUSA-N 1 0 310.397 4.318 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000502579877 340108326 /nfs/dbraw/zinc/10/83/26/340108326.db2.gz QRWKXGJDYWTMEP-CHWSQXEVSA-N 1 0 312.360 4.379 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000503037696 340119385 /nfs/dbraw/zinc/11/93/85/340119385.db2.gz STKDUHZSSGTVAH-MAUKXSAKSA-N 1 0 310.397 4.223 20 5 DIBDRO CC[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000503951620 340138298 /nfs/dbraw/zinc/13/82/98/340138298.db2.gz GLQQGLRJTPPDAP-OAHLLOKOSA-N 1 0 312.360 4.461 20 5 DIBDRO CC(C)(C)[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000505455226 340168843 /nfs/dbraw/zinc/16/88/43/340168843.db2.gz INFJMISDCNUELI-UHFFFAOYSA-N 1 0 304.415 4.457 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000506257672 340190270 /nfs/dbraw/zinc/19/02/70/340190270.db2.gz BSMOVPDUMKEQQK-CYBMUJFWSA-N 1 0 302.349 4.235 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000506267277 340190512 /nfs/dbraw/zinc/19/05/12/340190512.db2.gz GXRDUWLWYBJCDT-PMQIGOLDSA-N 1 0 308.381 4.445 20 5 DIBDRO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000506718296 340200069 /nfs/dbraw/zinc/20/00/69/340200069.db2.gz IGBCSXAFUJKBHQ-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000506720904 340200228 /nfs/dbraw/zinc/20/02/28/340200228.db2.gz VMFBTSHTTMPSEE-SNVBAGLBSA-N 1 0 324.302 4.205 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000506732241 340200376 /nfs/dbraw/zinc/20/03/76/340200376.db2.gz VGXNBZKGPRCYFJ-CYBMUJFWSA-N 1 0 309.369 4.269 20 5 DIBDRO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)C ZINC000507111179 340207736 /nfs/dbraw/zinc/20/77/36/340207736.db2.gz NXJCTPAMQQCPBH-UHFFFAOYSA-N 1 0 319.430 4.196 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2[nH]ccc21 ZINC000507171258 340210926 /nfs/dbraw/zinc/21/09/26/340210926.db2.gz UGWBAYVDSBJGFE-UHFFFAOYSA-N 1 0 323.396 4.487 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2cc[nH]c21)C1CC1 ZINC000507176467 340211399 /nfs/dbraw/zinc/21/13/99/340211399.db2.gz YBNGGWPEJGANIF-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000507907773 340235616 /nfs/dbraw/zinc/23/56/16/340235616.db2.gz WVDMWKWQEMJFGC-AWEZNQCLSA-N 1 0 314.360 4.032 20 5 DIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC1CC1 ZINC000510463712 340300223 /nfs/dbraw/zinc/30/02/23/340300223.db2.gz XAERINHTJRVLRQ-UHFFFAOYSA-N 1 0 302.399 4.165 20 5 DIBDRO COCC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000510975878 340316809 /nfs/dbraw/zinc/31/68/09/340316809.db2.gz LBCDORQOEJLOQY-CZUORRHYSA-N 1 0 308.422 4.005 20 5 DIBDRO CSc1ccccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000511174909 340323319 /nfs/dbraw/zinc/32/33/19/340323319.db2.gz PLGCNKQMAGFXHL-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO CC[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000511505291 340329019 /nfs/dbraw/zinc/32/90/19/340329019.db2.gz CTLVTMVRVAEEAQ-AWEZNQCLSA-N 1 0 317.414 4.093 20 5 DIBDRO C[C@@H](c1ccco1)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000511753128 340337144 /nfs/dbraw/zinc/33/71/44/340337144.db2.gz FIWHBZAWAYUFMI-ZBKLQPJUSA-N 1 0 312.369 4.427 20 5 DIBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000513099954 340393289 /nfs/dbraw/zinc/39/32/89/340393289.db2.gz DNDVGINDJJEVQI-FZMZJTMJSA-N 1 0 302.399 4.211 20 5 DIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000513194038 340396416 /nfs/dbraw/zinc/39/64/16/340396416.db2.gz LCDWYHUDADCLHC-INIZCTEOSA-N 1 0 319.430 4.151 20 5 DIBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000523391970 340623014 /nfs/dbraw/zinc/62/30/14/340623014.db2.gz VLYBBBGVIDVCAL-QWHCGFSZSA-N 1 0 302.374 4.379 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)CCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000231883571 340627175 /nfs/dbraw/zinc/62/71/75/340627175.db2.gz VJTBTIQDDNBVRD-SNVBAGLBSA-N 1 0 304.312 4.114 20 5 DIBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000524114951 340647749 /nfs/dbraw/zinc/64/77/49/340647749.db2.gz VXNZAXOVYUQTCT-QWHCGFSZSA-N 1 0 302.374 4.379 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2csc(Cl)c2)cccc1[N+](=O)[O-] ZINC000235526355 340660509 /nfs/dbraw/zinc/66/05/09/340660509.db2.gz NCPRSYNYTLNMBX-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CC2)ccc1Oc1ccc(F)cc1 ZINC000237879863 340674746 /nfs/dbraw/zinc/67/47/46/340674746.db2.gz QITPRSJWHVHQFF-UHFFFAOYSA-N 1 0 316.332 4.026 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000037668240 340785870 /nfs/dbraw/zinc/78/58/70/340785870.db2.gz KKIQGJZABZVGLM-UHFFFAOYSA-N 1 0 311.168 4.191 20 5 DIBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000537974561 340794865 /nfs/dbraw/zinc/79/48/65/340794865.db2.gz GXCIOBOUEAYRME-KUHUBIRLSA-N 1 0 310.397 4.267 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000537980249 340795140 /nfs/dbraw/zinc/79/51/40/340795140.db2.gz ORUUZGXBNHEBGD-SGTLLEGYSA-N 1 0 314.360 4.380 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3)CCCC2)c(F)c1 ZINC000538189402 340812571 /nfs/dbraw/zinc/81/25/71/340812571.db2.gz YXFOBNIFAWMKTA-UHFFFAOYSA-N 1 0 314.360 4.293 20 5 DIBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000538399503 340821214 /nfs/dbraw/zinc/82/12/14/340821214.db2.gz HVMWQMLGGMMLQR-VURMDHGXSA-N 1 0 314.360 4.272 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1[N+](=O)[O-] ZINC000539059209 340869013 /nfs/dbraw/zinc/86/90/13/340869013.db2.gz IMHWRIMVAAOJEN-NTCOEUGSSA-N 1 0 322.408 4.140 20 5 DIBDRO C[C@@H]([NH2+]CCCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000539072387 340870489 /nfs/dbraw/zinc/87/04/89/340870489.db2.gz QPQITGUYJROANZ-CQSZACIVSA-N 1 0 316.426 4.428 20 5 DIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000539084608 340871723 /nfs/dbraw/zinc/87/17/23/340871723.db2.gz PEOUBMLDKPVPPU-ZDUSSCGKSA-N 1 0 304.415 4.330 20 5 DIBDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000539090824 340872495 /nfs/dbraw/zinc/87/24/95/340872495.db2.gz RJAGUVUVYRGJNS-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC000540147827 340917107 /nfs/dbraw/zinc/91/71/07/340917107.db2.gz WWVNJTPIWYJPAJ-KRWDZBQOSA-N 1 0 316.788 4.068 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cccc1[N+](=O)[O-] ZINC000540160058 340918898 /nfs/dbraw/zinc/91/88/98/340918898.db2.gz SBADQSKUJJYAIL-DOFJYSBOSA-N 1 0 322.408 4.140 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000542469751 341008733 /nfs/dbraw/zinc/00/87/33/341008733.db2.gz BKTKBYRRLFKPAG-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO C[C@@H](Cc1ccsc1)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000543058905 341029663 /nfs/dbraw/zinc/02/96/63/341029663.db2.gz RTOOUKREBASRGO-ZDUSSCGKSA-N 1 0 316.426 4.252 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCc2ccsc2)cc1[N+](=O)[O-] ZINC000543978836 341064915 /nfs/dbraw/zinc/06/49/15/341064915.db2.gz BHSBOCZFVULZAR-ZDUSSCGKSA-N 1 0 304.415 4.248 20 5 DIBDRO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CCC2)o1 ZINC000544574136 341086546 /nfs/dbraw/zinc/08/65/46/341086546.db2.gz LNJMDRXXRGWZGM-KRWDZBQOSA-N 1 0 300.358 4.127 20 5 DIBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000544574490 341086625 /nfs/dbraw/zinc/08/66/25/341086625.db2.gz WOFRNMJWKIJHGM-DNVCBOLYSA-N 1 0 324.424 4.309 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000544895389 341097851 /nfs/dbraw/zinc/09/78/51/341097851.db2.gz AWIXIWGKPUXXBP-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CC(C)([NH2+]C/C=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000545163809 341110812 /nfs/dbraw/zinc/11/08/12/341110812.db2.gz UDMRRFPEQLZCCC-ONEGZZNKSA-N 1 0 314.360 4.272 20 5 DIBDRO CCOc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000132219112 341118677 /nfs/dbraw/zinc/11/86/77/341118677.db2.gz RZVOIXABNOKTRB-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO CC(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236579036 341187698 /nfs/dbraw/zinc/18/76/98/341187698.db2.gz SBCPCIWPWMFHNX-UHFFFAOYSA-N 1 0 308.765 4.254 20 5 DIBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000237138275 341207889 /nfs/dbraw/zinc/20/78/89/341207889.db2.gz NVAOEVHQVQPXBQ-ZDUSSCGKSA-N 1 0 308.422 4.011 20 5 DIBDRO C[C@@H](CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000547398511 341211060 /nfs/dbraw/zinc/21/10/60/341211060.db2.gz NKGGAHMGQRDIHG-BPLPYTOXSA-N 1 0 310.397 4.391 20 5 DIBDRO CCc1oc2ccccc2c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000077220995 341221136 /nfs/dbraw/zinc/22/11/36/341221136.db2.gz IKWLIOPEMGUQTM-UHFFFAOYSA-N 1 0 310.353 4.193 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000547727138 341228970 /nfs/dbraw/zinc/22/89/70/341228970.db2.gz JUJHBQYSAYRALL-MRXNPFEDSA-N 1 0 316.788 4.068 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000547830695 341236117 /nfs/dbraw/zinc/23/61/17/341236117.db2.gz VPJBSBQQQLZVOJ-HNNXBMFYSA-N 1 0 310.397 4.329 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000078991696 341251611 /nfs/dbraw/zinc/25/16/11/341251611.db2.gz HIRULDBPKOKOBP-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000549235828 341289343 /nfs/dbraw/zinc/28/93/43/341289343.db2.gz OXKPKYXBHGLGMA-OCVGTWLNSA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1ccccc1C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000551517274 341343521 /nfs/dbraw/zinc/34/35/21/341343521.db2.gz DOYWOJBMJQZBEQ-IBGZPJMESA-N 1 0 324.424 4.057 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cs1 ZINC000552274269 341383069 /nfs/dbraw/zinc/38/30/69/341383069.db2.gz JMNAYHXJYGJGHW-OAHLLOKOSA-N 1 0 302.399 4.036 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000089513344 341405128 /nfs/dbraw/zinc/40/51/28/341405128.db2.gz AEWQKWVIFUDRES-GOSISDBHSA-N 1 0 314.385 4.234 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000555165337 341476426 /nfs/dbraw/zinc/47/64/26/341476426.db2.gz HUIOPARAJYLWQQ-WXRFYESLSA-N 1 0 310.397 4.438 20 5 DIBDRO C[C@@H](F)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000555616112 341487278 /nfs/dbraw/zinc/48/72/78/341487278.db2.gz NWFKSFKMTDWBLZ-LLVKDONJSA-N 1 0 308.378 4.161 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000555626322 341487633 /nfs/dbraw/zinc/48/76/33/341487633.db2.gz KUCVTSMYGSVWEI-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CC(C)C1([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000556230540 341498291 /nfs/dbraw/zinc/49/82/91/341498291.db2.gz NVEIFNBWCQSVLF-GOEBONIOSA-N 1 0 302.418 4.084 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000288888788 341525154 /nfs/dbraw/zinc/52/51/54/341525154.db2.gz ASDPZTCEZUZHQO-QGZVFWFLSA-N 1 0 321.380 4.243 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267425458 341591309 /nfs/dbraw/zinc/59/13/09/341591309.db2.gz LGZIGFUFEATQCI-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000275789300 341652827 /nfs/dbraw/zinc/65/28/27/341652827.db2.gz WXAKVHWHDPIUJV-NSHDSACASA-N 1 0 306.312 4.383 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000178089082 341944115 /nfs/dbraw/zinc/94/41/15/341944115.db2.gz JYYDXLBHVPJOEP-ZWKOTPCHSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000178088310 341944146 /nfs/dbraw/zinc/94/41/46/341944146.db2.gz AFRLAJQPUKXCEV-SJKOYZFVSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CCC2 ZINC000342313717 518190008 /nfs/dbraw/zinc/19/00/08/518190008.db2.gz NENQNGZVBWRTHH-HNNXBMFYSA-N 1 0 302.399 4.132 20 5 DIBDRO CC(C)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000164115753 519816153 /nfs/dbraw/zinc/81/61/53/519816153.db2.gz HWWKBTKPPKUYRM-KDOFPFPSSA-N 1 0 313.401 4.080 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000182128460 521164089 /nfs/dbraw/zinc/16/40/89/521164089.db2.gz TVNFKJNURQCSFC-INIZCTEOSA-N 1 0 319.792 4.274 20 5 DIBDRO CC[C@@H]([NH2+][C@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180845442 522944824 /nfs/dbraw/zinc/94/48/24/522944824.db2.gz KOVCMCMKOTWZRT-QZTJIDSGSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1cccnc1[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000118840171 525553161 /nfs/dbraw/zinc/55/31/61/525553161.db2.gz MZFVBEWRAYDUHE-QGZVFWFLSA-N 1 0 313.401 4.094 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1[N+](=O)[O-] ZINC000266435056 525631255 /nfs/dbraw/zinc/63/12/55/525631255.db2.gz FAXQSGFLICLKBB-ZBEGNZNMSA-N 1 0 300.333 4.072 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000266446064 525633090 /nfs/dbraw/zinc/63/30/90/525633090.db2.gz IHFARJVSXLHAIY-ZBEGNZNMSA-N 1 0 300.333 4.072 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc([N+](=O)[O-])cc1 ZINC000267415619 525649558 /nfs/dbraw/zinc/64/95/58/525649558.db2.gz JCLNFXWXXFQUAA-PIGZYNQJSA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000130429662 525919912 /nfs/dbraw/zinc/91/99/12/525919912.db2.gz GCYHRSNRCQCYQX-NSHDSACASA-N 1 0 304.312 4.286 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000119648792 535808592 /nfs/dbraw/zinc/80/85/92/535808592.db2.gz CAFZSWVLEJLNOE-FZKQIMNGSA-N 1 0 314.385 4.405 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000273115074 536903098 /nfs/dbraw/zinc/90/30/98/536903098.db2.gz XDVNXAOMOJGOBS-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])c(C)s1 ZINC000049507056 1035522052 /nfs/dbraw/zinc/52/20/52/1035522052.db2.gz CFYSCVWLPOXNDD-JTQLQIEISA-N 1 0 308.378 4.263 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000120564085 1035933894 /nfs/dbraw/zinc/93/38/94/1035933894.db2.gz ZFHJGHHFUMTJGY-UONOGXRCSA-N 1 0 302.374 4.168 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+](CC1CCCCC1)C1CC1 ZINC001167094096 1035981306 /nfs/dbraw/zinc/98/13/06/1035981306.db2.gz CUUFTGSVULOQPG-UHFFFAOYSA-N 1 0 306.381 4.279 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000120799486 1036173440 /nfs/dbraw/zinc/17/34/40/1036173440.db2.gz XHRDWJQZFIPCLS-OLZOCXBDSA-N 1 0 302.349 4.454 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2ccccc2c1 ZINC000007500501 1036311877 /nfs/dbraw/zinc/31/18/77/1036311877.db2.gz JFFRTQOBIQHBLH-UHFFFAOYSA-N 1 0 306.365 4.380 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000219869837 1036597641 /nfs/dbraw/zinc/59/76/41/1036597641.db2.gz GLEKLYLDYYAYNR-HNNXBMFYSA-N 1 0 320.433 4.293 20 5 DIBDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001167363974 1036985668 /nfs/dbraw/zinc/98/56/68/1036985668.db2.gz QIAUAKVZWGASOQ-OAHLLOKOSA-N 1 0 308.447 4.011 20 5 DIBDRO CC(C)[C@@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001167424474 1037225923 /nfs/dbraw/zinc/22/59/23/1037225923.db2.gz KCHRTUGEZJLKSM-GFCCVEGCSA-N 1 0 312.360 4.131 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC000319872434 1037230772 /nfs/dbraw/zinc/23/07/72/1037230772.db2.gz SRPPQXZYCLPQCV-GUYCJALGSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CCCCC2)nc1 ZINC001211286427 1037274841 /nfs/dbraw/zinc/27/48/41/1037274841.db2.gz UFCWLVBNZFNUBG-UHFFFAOYSA-N 1 0 312.373 4.032 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(F)(F)F ZINC000827980046 1037301357 /nfs/dbraw/zinc/30/13/57/1037301357.db2.gz HTYZWMOKBWZRHF-UHFFFAOYSA-N 1 0 324.730 4.316 20 5 DIBDRO CC[C@@H]1CCCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001167457477 1037576836 /nfs/dbraw/zinc/57/68/36/1037576836.db2.gz BZQKGBVFCNRNLZ-OAHLLOKOSA-N 1 0 306.406 4.018 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000119372837 1037689845 /nfs/dbraw/zinc/68/98/45/1037689845.db2.gz GJZKXBYTYADSFA-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000610517529 1037807786 /nfs/dbraw/zinc/80/77/86/1037807786.db2.gz HSTDHUGQYDOATO-QGZVFWFLSA-N 1 0 302.349 4.283 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F ZINC000477219212 1037863620 /nfs/dbraw/zinc/86/36/20/1037863620.db2.gz GXRPBQQALRXXIC-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F ZINC000477219211 1037865013 /nfs/dbraw/zinc/86/50/13/1037865013.db2.gz GXRPBQQALRXXIC-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO CCC[C@H]([NH2+]CCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000126797690 1037945533 /nfs/dbraw/zinc/94/55/33/1037945533.db2.gz OEUDNZUQADOLKF-ZDUSSCGKSA-N 1 0 304.312 4.368 20 5 DIBDRO Cn1c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc2ccccc21 ZINC000602673279 1038059521 /nfs/dbraw/zinc/05/95/21/1038059521.db2.gz QJNZUOFSOMUXAL-UHFFFAOYSA-N 1 0 323.396 4.111 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000599000173 1038209562 /nfs/dbraw/zinc/20/95/62/1038209562.db2.gz LGUAIKZQAWADQP-UHFFFAOYSA-N 1 0 300.349 4.064 20 5 DIBDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000598997081 1038216878 /nfs/dbraw/zinc/21/68/78/1038216878.db2.gz VATKYKRBJKSHMT-SAABIXHNSA-N 1 0 320.433 4.058 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000593665030 1038220087 /nfs/dbraw/zinc/22/00/87/1038220087.db2.gz ABJFDJDKTQNZSM-KRWDZBQOSA-N 1 0 302.349 4.283 20 5 DIBDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599064324 1038227050 /nfs/dbraw/zinc/22/70/50/1038227050.db2.gz ATOBQDZNFPRNSC-ACJLOTCBSA-N 1 0 311.385 4.182 20 5 DIBDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599064325 1038228778 /nfs/dbraw/zinc/22/87/78/1038228778.db2.gz ATOBQDZNFPRNSC-FZKQIMNGSA-N 1 0 311.385 4.182 20 5 DIBDRO CC(C)c1ccc(C[NH+]2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000593673465 1038234590 /nfs/dbraw/zinc/23/45/90/1038234590.db2.gz AEMFLJVYDMVHDR-UHFFFAOYSA-N 1 0 324.371 4.339 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599078111 1038235213 /nfs/dbraw/zinc/23/52/13/1038235213.db2.gz GTVHMVUVXZCJHB-NSHDSACASA-N 1 0 300.349 4.317 20 5 DIBDRO Cc1c(C[N@H+](C)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000603844722 1038296536 /nfs/dbraw/zinc/29/65/36/1038296536.db2.gz QSMGLHXZQZKSMW-UHFFFAOYSA-N 1 0 304.777 4.189 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000276971709 1038305058 /nfs/dbraw/zinc/30/50/58/1038305058.db2.gz UJMWKBMURLIVDX-CQSZACIVSA-N 1 0 320.414 4.296 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000610805795 1038352149 /nfs/dbraw/zinc/35/21/49/1038352149.db2.gz SXNQQLGDVCYGEA-YVEFUNNKSA-N 1 0 314.410 4.234 20 5 DIBDRO Cc1ccc(C[NH2+]CC(C)(C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000604550258 1038424143 /nfs/dbraw/zinc/42/41/43/1038424143.db2.gz SOWOOOAJBDIBPV-UHFFFAOYSA-N 1 0 316.376 4.110 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000320292375 1038455673 /nfs/dbraw/zinc/45/56/73/1038455673.db2.gz QJHNKXAEYMSGFF-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO COCC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342288108 1038518540 /nfs/dbraw/zinc/51/85/40/1038518540.db2.gz YQDKIXZYIZPUHR-WMLDXEAASA-N 1 0 314.385 4.023 20 5 DIBDRO CC(C)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001167548845 1038584378 /nfs/dbraw/zinc/58/43/78/1038584378.db2.gz IZAWVYCHLNFLMA-HNNXBMFYSA-N 1 0 320.433 4.250 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000594041403 1038634410 /nfs/dbraw/zinc/63/44/10/1038634410.db2.gz BUUCSJBOXUJPFB-NEPJUHHUSA-N 1 0 312.360 4.459 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000478489109 1038654321 /nfs/dbraw/zinc/65/43/21/1038654321.db2.gz KQGFXTFVYGRZLW-FHLIZLRMSA-N 1 0 310.397 4.185 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000478488994 1038654865 /nfs/dbraw/zinc/65/48/65/1038654865.db2.gz KQGFXTFVYGRZLW-BMGDILEWSA-N 1 0 310.397 4.185 20 5 DIBDRO [NH3+]Cc1cccn1-c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001167585613 1038711275 /nfs/dbraw/zinc/71/12/75/1038711275.db2.gz DAGFLMPWSARSSR-UHFFFAOYSA-N 1 0 324.387 4.186 20 5 DIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000479552598 1038719917 /nfs/dbraw/zinc/71/99/17/1038719917.db2.gz CEPGXZTXIJQNPL-LJQANCHMSA-N 1 0 310.397 4.494 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000480090290 1038764024 /nfs/dbraw/zinc/76/40/24/1038764024.db2.gz IJLRQCYZELLFOZ-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178651917 1038855257 /nfs/dbraw/zinc/85/52/57/1038855257.db2.gz VFMQREAAZIQVAD-NSHDSACASA-N 1 0 322.311 4.047 20 5 DIBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608836524 1038928993 /nfs/dbraw/zinc/92/89/93/1038928993.db2.gz ORJBLPGMNACTRJ-DGCLKSJQSA-N 1 0 302.399 4.069 20 5 DIBDRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000178684453 1038975531 /nfs/dbraw/zinc/97/55/31/1038975531.db2.gz NYWAZVGPGKTYDG-WDEREUQCSA-N 1 0 319.430 4.334 20 5 DIBDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001167657116 1039175115 /nfs/dbraw/zinc/17/51/15/1039175115.db2.gz RNYFJHCMBSBCQU-FQEVSTJZSA-N 1 0 324.424 4.393 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000609075920 1039209242 /nfs/dbraw/zinc/20/92/42/1039209242.db2.gz QXIAEJFCDBIVSP-OAHLLOKOSA-N 1 0 312.413 4.359 20 5 DIBDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000152770846 1039243287 /nfs/dbraw/zinc/24/32/87/1039243287.db2.gz XHYDXYGQPYIDGS-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000152791475 1039263337 /nfs/dbraw/zinc/26/33/37/1039263337.db2.gz JTIDPFYZAJDKBY-RYUDHWBXSA-N 1 0 318.348 4.154 20 5 DIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000539824375 1039341560 /nfs/dbraw/zinc/34/15/60/1039341560.db2.gz ASORUHVWCOEPHC-HUUCEWRRSA-N 1 0 308.447 4.009 20 5 DIBDRO CCSCC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000539823528 1039351764 /nfs/dbraw/zinc/35/17/64/1039351764.db2.gz FDLRZQXRASHDSQ-IUCKJTJTSA-N 1 0 308.447 4.072 20 5 DIBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572967583 1039353291 /nfs/dbraw/zinc/35/32/91/1039353291.db2.gz LXZGPNBXWZYZQW-VHSXEESVSA-N 1 0 304.312 4.138 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000540119535 1039421869 /nfs/dbraw/zinc/42/18/69/1039421869.db2.gz FTVMTWKNQNXIEW-OAHLLOKOSA-N 1 0 302.761 4.025 20 5 DIBDRO CCC(CC)[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000540146551 1039424203 /nfs/dbraw/zinc/42/42/03/1039424203.db2.gz ICUXNRSHBRCWJT-GUYCJALGSA-N 1 0 308.422 4.087 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000248132712 1039553580 /nfs/dbraw/zinc/55/35/80/1039553580.db2.gz ORMBLUJNYISHEM-HZSPNIEDSA-N 1 0 308.447 4.228 20 5 DIBDRO COCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000122377085 1039554987 /nfs/dbraw/zinc/55/49/87/1039554987.db2.gz MGGYIHIOWXMDQT-HNNXBMFYSA-N 1 0 320.433 4.151 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000540778384 1039565187 /nfs/dbraw/zinc/56/51/87/1039565187.db2.gz AXRHEWFQFFGLTR-ZOBUZTSGSA-N 1 0 320.433 4.148 20 5 DIBDRO CCOc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000492044913 1039909697 /nfs/dbraw/zinc/90/96/97/1039909697.db2.gz LCFUFQBLPQMDID-UHFFFAOYSA-N 1 0 314.385 4.018 20 5 DIBDRO CCSc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000480449592 1039940705 /nfs/dbraw/zinc/94/07/05/1039940705.db2.gz ZVXNXHDXUZHFOV-UHFFFAOYSA-N 1 0 316.426 4.305 20 5 DIBDRO CCCc1csc(CNC(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000492310202 1039947986 /nfs/dbraw/zinc/94/79/86/1039947986.db2.gz GJOVSSQAWQEOPV-UHFFFAOYSA-N 1 0 319.430 4.029 20 5 DIBDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000492935816 1040041331 /nfs/dbraw/zinc/04/13/31/1040041331.db2.gz IAWFNZGLGBKUTP-ZDUSSCGKSA-N 1 0 302.349 4.017 20 5 DIBDRO CC(C)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000179484296 1040468848 /nfs/dbraw/zinc/46/88/48/1040468848.db2.gz JVDGCXPYKNVCMZ-UHFFFAOYSA-N 1 0 317.414 4.091 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccsc1 ZINC000615833470 1040627304 /nfs/dbraw/zinc/62/73/04/1040627304.db2.gz MGNISZAKMCHMKP-MDWZMJQESA-N 1 0 302.399 4.192 20 5 DIBDRO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000580458686 1040818100 /nfs/dbraw/zinc/81/81/00/1040818100.db2.gz APMKOOCHDJBPEC-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccc(F)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000580458685 1040819629 /nfs/dbraw/zinc/81/96/29/1040819629.db2.gz APMKOOCHDJBPEC-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000172831462 1040858346 /nfs/dbraw/zinc/85/83/46/1040858346.db2.gz OVYWJCCNEVHARN-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000172920223 1040860876 /nfs/dbraw/zinc/86/08/76/1040860876.db2.gz JMSDRYVWHJAVQE-MLGOLLRUSA-N 1 0 314.410 4.483 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000092856835 1041118607 /nfs/dbraw/zinc/11/86/07/1041118607.db2.gz KCXHVUFFBZMMBM-KZULUSFZSA-N 1 0 314.360 4.462 20 5 DIBDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809763956 1041249990 /nfs/dbraw/zinc/24/99/90/1041249990.db2.gz BNJTYIMVAUOYFN-HNNXBMFYSA-N 1 0 319.792 4.226 20 5 DIBDRO CSCc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000189477012 1041305519 /nfs/dbraw/zinc/30/55/19/1041305519.db2.gz CLFVMQCBBGSMMH-UHFFFAOYSA-N 1 0 316.426 4.056 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(C2CC2)CC1 ZINC000811484977 1041522929 /nfs/dbraw/zinc/52/29/29/1041522929.db2.gz RGCIHHGYVLISHU-UHFFFAOYSA-N 1 0 315.200 4.181 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCC(F)(F)F)CCCC2 ZINC000417318208 1041655804 /nfs/dbraw/zinc/65/58/04/1041655804.db2.gz YGIGIIXVHJBGHE-AWEZNQCLSA-N 1 0 316.323 4.294 20 5 DIBDRO CC(C)OCCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417348608 1041660172 /nfs/dbraw/zinc/66/01/72/1041660172.db2.gz YMRZOJHYUUEVLX-GOSISDBHSA-N 1 0 320.433 4.157 20 5 DIBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000815149181 1041928122 /nfs/dbraw/zinc/92/81/22/1041928122.db2.gz CGJNFAVWOJOGEY-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555726 1041962975 /nfs/dbraw/zinc/96/29/75/1041962975.db2.gz GUHYFHPUDGEJCX-HWPZZCPQSA-N 1 0 317.414 4.040 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000815580488 1041966356 /nfs/dbraw/zinc/96/63/56/1041966356.db2.gz LEFAYFIIUPJVMQ-ZIAGYGMSSA-N 1 0 313.401 4.206 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000093632806 1042018417 /nfs/dbraw/zinc/01/84/17/1042018417.db2.gz AXVPGSOMLFQZOJ-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236880303 1042052891 /nfs/dbraw/zinc/05/28/91/1042052891.db2.gz AKEYHBNQEABPCJ-NEPJUHHUSA-N 1 0 319.430 4.243 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cnc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000397091960 1042175668 /nfs/dbraw/zinc/17/56/68/1042175668.db2.gz KNFLWYPNCXRUHF-SFHVURJKSA-N 1 0 313.401 4.238 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000279154326 1042277197 /nfs/dbraw/zinc/27/71/97/1042277197.db2.gz SZOBHRMEFMXCJM-YVEFUNNKSA-N 1 0 311.385 4.063 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000279154323 1042277618 /nfs/dbraw/zinc/27/76/18/1042277618.db2.gz SZOBHRMEFMXCJM-SJKOYZFVSA-N 1 0 311.385 4.063 20 5 DIBDRO CC[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000822822324 1042302354 /nfs/dbraw/zinc/30/23/54/1042302354.db2.gz KABOWLPWBJMGEI-YPMHNXCESA-N 1 0 317.216 4.219 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000107717970 1042303362 /nfs/dbraw/zinc/30/33/62/1042303362.db2.gz AUNOJCHNROFWEE-GOSISDBHSA-N 1 0 314.385 4.018 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000237018645 1042583607 /nfs/dbraw/zinc/58/36/07/1042583607.db2.gz UFDXXLDLIQMHOK-QGZVFWFLSA-N 1 0 309.369 4.317 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCc2ccccc21 ZINC000093632707 1042591752 /nfs/dbraw/zinc/59/17/52/1042591752.db2.gz BPWRCKLSDRMILS-HNNXBMFYSA-N 1 0 302.761 4.025 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951790 1042616446 /nfs/dbraw/zinc/61/64/46/1042616446.db2.gz RCVCNVMPUWBSCR-NEPJUHHUSA-N 1 0 316.323 4.320 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CC(F)F)c2ccccc2)c1 ZINC000420984761 1042618648 /nfs/dbraw/zinc/61/86/48/1042618648.db2.gz GSOOIFPUHYQAGJ-HNNXBMFYSA-N 1 0 306.312 4.081 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc2ccccc21 ZINC000237197642 1042629753 /nfs/dbraw/zinc/62/97/53/1042629753.db2.gz WSRVQEICCVCRGP-UHFFFAOYSA-N 1 0 322.364 4.046 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)c2ccccc2)c1 ZINC000424341646 1042737904 /nfs/dbraw/zinc/73/79/04/1042737904.db2.gz DTOGGVKDERZEAG-ZMMAXQRCSA-N 1 0 308.381 4.072 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000425951235 1042883550 /nfs/dbraw/zinc/88/35/50/1042883550.db2.gz PAAGBCRPDPCBHY-GFCCVEGCSA-N 1 0 314.360 4.462 20 5 DIBDRO O[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)C(F)(F)F ZINC000140034891 1042913932 /nfs/dbraw/zinc/91/39/32/1042913932.db2.gz LQMJSIFPDZCAHL-KRWDZBQOSA-N 1 0 319.326 4.006 20 5 DIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180041 1042936573 /nfs/dbraw/zinc/93/65/73/1042936573.db2.gz GZXWOLHAVHWWSS-QZTJIDSGSA-N 1 0 308.381 4.168 20 5 DIBDRO Cc1ccc(C(C)(C)C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000441365058 1043039928 /nfs/dbraw/zinc/03/99/28/1043039928.db2.gz JKUGYGYMJGRJKG-UHFFFAOYSA-N 1 0 318.442 4.374 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000441350195 1043040273 /nfs/dbraw/zinc/04/02/73/1043040273.db2.gz QTAMBZODLOSPKA-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000441375946 1043042387 /nfs/dbraw/zinc/04/23/87/1043042387.db2.gz CHPVHHKDNNQMEP-YJBOKZPZSA-N 1 0 300.402 4.478 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000049159730 1043136315 /nfs/dbraw/zinc/13/63/15/1043136315.db2.gz IYLDWFHQIJXIKS-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000184927849 1043193007 /nfs/dbraw/zinc/19/30/07/1043193007.db2.gz OVXAJYCANSUTQV-LLVKDONJSA-N 1 0 306.312 4.383 20 5 DIBDRO Cc1cnc([C@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000186764422 1043233819 /nfs/dbraw/zinc/23/38/19/1043233819.db2.gz CVMYGWTZZQNUPG-DGCLKSJQSA-N 1 0 319.430 4.122 20 5 DIBDRO CCCNc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000193358229 1043284428 /nfs/dbraw/zinc/28/44/28/1043284428.db2.gz VAWDMBQFJFTFLV-CQSZACIVSA-N 1 0 313.401 4.268 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000268803130 1043333518 /nfs/dbraw/zinc/33/35/18/1043333518.db2.gz QUNVVCBXZKHHLH-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1ccccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000521198122 1043374616 /nfs/dbraw/zinc/37/46/16/1043374616.db2.gz CNPVZKTYYHTMRD-UHFFFAOYSA-N 1 0 310.397 4.376 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2sccc2C)cc1[N+](=O)[O-] ZINC000271065345 1043402733 /nfs/dbraw/zinc/40/27/33/1043402733.db2.gz CZKZTUMMMFXCMJ-GFCCVEGCSA-N 1 0 320.414 4.214 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000872018790 1043421458 /nfs/dbraw/zinc/42/14/58/1043421458.db2.gz PLEDZRQGKGXDEI-RYUDHWBXSA-N 1 0 317.414 4.124 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060891 1043443913 /nfs/dbraw/zinc/44/39/13/1043443913.db2.gz BCFJCVDLJXCROT-BDAKNGLRSA-N 1 0 308.275 4.116 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000872073725 1043450613 /nfs/dbraw/zinc/45/06/13/1043450613.db2.gz QXQZDWUJIVAADB-VIFPVBQESA-N 1 0 316.373 4.013 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000872088497 1043455638 /nfs/dbraw/zinc/45/56/38/1043455638.db2.gz RHMTUQPPNFIUFV-ZJUUUORDSA-N 1 0 316.373 4.013 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278763 1043490071 /nfs/dbraw/zinc/49/00/71/1043490071.db2.gz ZXVMWMRDZVAPBG-ZBFHGGJFSA-N 1 0 318.417 4.079 20 5 DIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000521938739 1043509263 /nfs/dbraw/zinc/50/92/63/1043509263.db2.gz OJIJLTYPUOANIX-SFHVURJKSA-N 1 0 314.385 4.187 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000873184355 1043524265 /nfs/dbraw/zinc/52/42/65/1043524265.db2.gz NGARVECTVCQSIQ-LLVKDONJSA-N 1 0 322.311 4.047 20 5 DIBDRO Cc1cccc(OCCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000749840705 1043559576 /nfs/dbraw/zinc/55/95/76/1043559576.db2.gz PEFSSBJNPJSOOU-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000474067925 1043568506 /nfs/dbraw/zinc/56/85/06/1043568506.db2.gz UWGDVGKYQZHMEA-VXGBXAGGSA-N 1 0 312.360 4.459 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ncc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000926954046 1043662412 /nfs/dbraw/zinc/66/24/12/1043662412.db2.gz HGBRDPMNCRTAJK-KRWDZBQOSA-N 1 0 313.401 4.238 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000353970131 1043666289 /nfs/dbraw/zinc/66/62/89/1043666289.db2.gz BXBFGGQYZCGTRF-SJCJKPOMSA-N 1 0 324.384 4.273 20 5 DIBDRO C[C@@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(C)CC1 ZINC000559107188 1043700623 /nfs/dbraw/zinc/70/06/23/1043700623.db2.gz DMOXRKKMOMXDDI-SNVBAGLBSA-N 1 0 316.323 4.234 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC(F)F ZINC000895998005 1043801077 /nfs/dbraw/zinc/80/10/77/1043801077.db2.gz RQIYWYKMSPXDJT-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO CC1(C)CCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001205007665 1044019816 /nfs/dbraw/zinc/01/98/16/1044019816.db2.gz LXMBTOBWDMCHEY-OAHLLOKOSA-N 1 0 310.825 4.349 20 5 DIBDRO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000561958584 1044036883 /nfs/dbraw/zinc/03/68/83/1044036883.db2.gz QJZFVGNSNCARDM-OAHLLOKOSA-N 1 0 302.399 4.239 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000291304393 1044056668 /nfs/dbraw/zinc/05/66/68/1044056668.db2.gz SQKVMNRZGCZPHP-YVEFUNNKSA-N 1 0 312.369 4.029 20 5 DIBDRO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000323521712 1044064302 /nfs/dbraw/zinc/06/43/02/1044064302.db2.gz UGKQNTWQAXUKIP-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CCCCc1nc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000932180643 1044107215 /nfs/dbraw/zinc/10/72/15/1044107215.db2.gz BIAOLKUQOUVUCW-GFCCVEGCSA-N 1 0 319.430 4.245 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CC(F)F ZINC000883258959 1044249719 /nfs/dbraw/zinc/24/97/19/1044249719.db2.gz WGMDGQQKUSYAQK-GFCCVEGCSA-N 1 0 314.376 4.187 20 5 DIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000523006068 1044296561 /nfs/dbraw/zinc/29/65/61/1044296561.db2.gz PYUMPRFOWJJFTC-XJKSGUPXSA-N 1 0 314.360 4.112 20 5 DIBDRO Cc1ccccc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564124033 1044344801 /nfs/dbraw/zinc/34/48/01/1044344801.db2.gz MWNGOMPGNCFLIP-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000475332368 1044364064 /nfs/dbraw/zinc/36/40/64/1044364064.db2.gz FLCRVRZBACTLQN-DOTOQJQBSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1c(C[NH2+]CC[C@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC001202604562 1044366039 /nfs/dbraw/zinc/36/60/39/1044366039.db2.gz YYIWNYJRIUHKJI-MRXNPFEDSA-N 1 0 310.397 4.113 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cs1 ZINC000475335409 1044367041 /nfs/dbraw/zinc/36/70/41/1044367041.db2.gz HEHBYMLRVPVHDD-DZGCQCFKSA-N 1 0 320.389 4.221 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025938125 1044369014 /nfs/dbraw/zinc/36/90/14/1044369014.db2.gz CNGGMAOTZGYJFC-KRWDZBQOSA-N 1 0 300.333 4.071 20 5 DIBDRO CC[C@@H]([NH2+]CCCNc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000361521180 1044414147 /nfs/dbraw/zinc/41/41/47/1044414147.db2.gz ZJFZUBFUHSVVMS-GOSISDBHSA-N 1 0 313.401 4.138 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000040518077 1044422964 /nfs/dbraw/zinc/42/29/64/1044422964.db2.gz UZEYSPNTDWLNIA-ZJUUUORDSA-N 1 0 305.403 4.080 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC001168069127 1044480362 /nfs/dbraw/zinc/48/03/62/1044480362.db2.gz SORQCQCZVZPXHV-INIZCTEOSA-N 1 0 318.442 4.500 20 5 DIBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC001168069129 1044480899 /nfs/dbraw/zinc/48/08/99/1044480899.db2.gz SORQCQCZVZPXHV-MRXNPFEDSA-N 1 0 318.442 4.500 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475545030 1044493963 /nfs/dbraw/zinc/49/39/63/1044493963.db2.gz CJTLLVHDTQBOPK-WMLDXEAASA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000127256470 1044529420 /nfs/dbraw/zinc/52/94/20/1044529420.db2.gz NOJXNCZVUVUMQE-CABCVRRESA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1c(C[NH2+]Cc2cc3c(s2)CCCC3)cccc1[N+](=O)[O-] ZINC001649166661 1044546193 /nfs/dbraw/zinc/54/61/93/1044546193.db2.gz WDNFFFSFRBGLIP-UHFFFAOYSA-N 1 0 316.426 4.133 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000295980933 1044579173 /nfs/dbraw/zinc/57/91/73/1044579173.db2.gz OTDCBRGUCKDYMX-CXAGYDPISA-N 1 0 316.405 4.003 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000295980936 1044579464 /nfs/dbraw/zinc/57/94/64/1044579464.db2.gz OTDCBRGUCKDYMX-GUYCJALGSA-N 1 0 316.405 4.003 20 5 DIBDRO Cc1cc(Cl)cc(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001649171003 1044587232 /nfs/dbraw/zinc/58/72/32/1044587232.db2.gz JDUALRZXRWOLRX-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000885941972 1044595130 /nfs/dbraw/zinc/59/51/30/1044595130.db2.gz IKDYRAYRELUUKE-HNNXBMFYSA-N 1 0 319.792 4.130 20 5 DIBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444672677 1044599039 /nfs/dbraw/zinc/59/90/39/1044599039.db2.gz ZICSPAWIFWXIKY-UHFFFAOYSA-N 1 0 316.405 4.014 20 5 DIBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000886064645 1044604458 /nfs/dbraw/zinc/60/44/58/1044604458.db2.gz GNIXHBMUFHKOBH-QGZVFWFLSA-N 1 0 311.385 4.011 20 5 DIBDRO Cc1ccc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)o1 ZINC000568466592 1044628110 /nfs/dbraw/zinc/62/81/10/1044628110.db2.gz GJLNUMGPPVLPHF-QGZVFWFLSA-N 1 0 314.385 4.051 20 5 DIBDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523841260 1044696800 /nfs/dbraw/zinc/69/68/00/1044696800.db2.gz ZCCPJODLAQPBKP-LBPRGKRZSA-N 1 0 304.777 4.441 20 5 DIBDRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523841259 1044696910 /nfs/dbraw/zinc/69/69/10/1044696910.db2.gz ZCCPJODLAQPBKP-GFCCVEGCSA-N 1 0 304.777 4.441 20 5 DIBDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512243 1044740244 /nfs/dbraw/zinc/74/02/44/1044740244.db2.gz CKFWTZJTHBXUGB-NSHDSACASA-N 1 0 319.430 4.334 20 5 DIBDRO CCc1ccc([C@H]([NH2+][C@H]2CC[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000570418996 1044756651 /nfs/dbraw/zinc/75/66/51/1044756651.db2.gz AGFFFJQUNFOQPT-PZPSRYQVSA-N 1 0 314.385 4.228 20 5 DIBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000524425728 1044839773 /nfs/dbraw/zinc/83/97/73/1044839773.db2.gz DNXFIDUUIYLOJL-UHFFFAOYSA-N 1 0 304.415 4.109 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524592149 1044880273 /nfs/dbraw/zinc/88/02/73/1044880273.db2.gz BKRFAQCPMBIXJS-NVXWUHKLSA-N 1 0 310.397 4.281 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000524592386 1044881626 /nfs/dbraw/zinc/88/16/26/1044881626.db2.gz JLNKFJDODVCUBF-RDJZCZTQSA-N 1 0 310.397 4.281 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000524592387 1044881912 /nfs/dbraw/zinc/88/19/12/1044881912.db2.gz JLNKFJDODVCUBF-WBVHZDCISA-N 1 0 310.397 4.281 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccncc1F)c1cccc([N+](=O)[O-])c1 ZINC000338021506 1044975332 /nfs/dbraw/zinc/97/53/32/1044975332.db2.gz PSWAAPBKYQIRPU-SJCJKPOMSA-N 1 0 317.364 4.321 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCc2occc2C1 ZINC000576216417 1045042049 /nfs/dbraw/zinc/04/20/49/1045042049.db2.gz IWFZBYUOAQBRJS-GXDHUFHOSA-N 1 0 312.369 4.040 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CC[C@H](F)C2)c2ccccc2)c1 ZINC000577239115 1045109580 /nfs/dbraw/zinc/10/95/80/1045109580.db2.gz LXXHDARKXRNGQC-XYJFISCASA-N 1 0 314.360 4.164 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000783623120 1045133306 /nfs/dbraw/zinc/13/33/06/1045133306.db2.gz PFNOTNXOKUCGLJ-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000467834919 1045133550 /nfs/dbraw/zinc/13/35/50/1045133550.db2.gz XBHFJJFLDOGJHG-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1cccc(OC[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000467834920 1045133756 /nfs/dbraw/zinc/13/37/56/1045133756.db2.gz XBHFJJFLDOGJHG-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447518654 1045136093 /nfs/dbraw/zinc/13/60/93/1045136093.db2.gz DCQXFPKXSYNTEF-UGSOOPFHSA-N 1 0 314.385 4.176 20 5 DIBDRO CCc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000447546483 1045145429 /nfs/dbraw/zinc/14/54/29/1045145429.db2.gz WJTZMFIAYHNLGV-QGZVFWFLSA-N 1 0 316.426 4.386 20 5 DIBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000601298663 1045212646 /nfs/dbraw/zinc/21/26/46/1045212646.db2.gz QBGBRVIKTUBQKR-MNOVXSKESA-N 1 0 305.403 4.080 20 5 DIBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000601299313 1045214202 /nfs/dbraw/zinc/21/42/02/1045214202.db2.gz YWJDJCPDQJRQBZ-WDEREUQCSA-N 1 0 305.403 4.080 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000925227618 1045238057 /nfs/dbraw/zinc/23/80/57/1045238057.db2.gz ACOIANQPDWZIFZ-DIFFPNOSSA-N 1 0 318.348 4.241 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNc1ccccc1 ZINC000578413183 1045241647 /nfs/dbraw/zinc/24/16/47/1045241647.db2.gz HPPNUHSLIHDJOF-HNNXBMFYSA-N 1 0 313.401 4.056 20 5 DIBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579005827 1045288186 /nfs/dbraw/zinc/28/81/86/1045288186.db2.gz AJADSYYVYOCWMY-GFCCVEGCSA-N 1 0 320.339 4.109 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000783639586 1045317022 /nfs/dbraw/zinc/31/70/22/1045317022.db2.gz SYTDCTQORAQKAQ-NSHDSACASA-N 1 0 322.792 4.261 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000579624568 1045326024 /nfs/dbraw/zinc/32/60/24/1045326024.db2.gz LWGPMXHJFAXBNA-MRXNPFEDSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000579624567 1045326337 /nfs/dbraw/zinc/32/63/37/1045326337.db2.gz LWGPMXHJFAXBNA-INIZCTEOSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1F ZINC000449168785 1045353443 /nfs/dbraw/zinc/35/34/43/1045353443.db2.gz FHOCRDYUSXHRQD-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449163031 1045356258 /nfs/dbraw/zinc/35/62/58/1045356258.db2.gz UTEAQQVBVXHKME-OLZOCXBDSA-N 1 0 318.442 4.117 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449270334 1045370000 /nfs/dbraw/zinc/37/00/00/1045370000.db2.gz QFEFKWCWJSPSPG-WCQYABFASA-N 1 0 318.339 4.092 20 5 DIBDRO C[C@H](CCc1ccsc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348222 1045378948 /nfs/dbraw/zinc/37/89/48/1045378948.db2.gz KNJHSCQDLQUDAC-OLZOCXBDSA-N 1 0 304.415 4.328 20 5 DIBDRO CC(F)(F)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449353045 1045384401 /nfs/dbraw/zinc/38/44/01/1045384401.db2.gz ZSJJGYQVLABYDE-UHFFFAOYSA-N 1 0 324.327 4.380 20 5 DIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000751500025 1045607026 /nfs/dbraw/zinc/60/70/26/1045607026.db2.gz NGZZCUHUSWXKAX-GUYCJALGSA-N 1 0 314.360 4.112 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000530359074 1045650326 /nfs/dbraw/zinc/65/03/26/1045650326.db2.gz AVSHQFXNWKMBDF-GOEBONIOSA-N 1 0 318.417 4.046 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451299394 1045661234 /nfs/dbraw/zinc/66/12/34/1045661234.db2.gz GDGRLVSTTOOUGU-AAEUAGOBSA-N 1 0 316.323 4.196 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)c1ccc(F)cc1 ZINC000801512182 1045726366 /nfs/dbraw/zinc/72/63/66/1045726366.db2.gz OUKMEFRKNYBHGP-LBPRGKRZSA-N 1 0 320.339 4.456 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C)cc1 ZINC000801526808 1045729869 /nfs/dbraw/zinc/72/98/69/1045729869.db2.gz XTDBXEXACRIXCK-MRXNPFEDSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1cccc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000801539424 1045733480 /nfs/dbraw/zinc/73/34/80/1045733480.db2.gz GLBHKZCWQVIAOX-INIZCTEOSA-N 1 0 314.360 4.032 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1F ZINC000801544257 1045735250 /nfs/dbraw/zinc/73/52/50/1045735250.db2.gz DWWWHRMUGHEUTA-UHFFFAOYSA-N 1 0 320.389 4.175 20 5 DIBDRO CSCCCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000753735570 1045797065 /nfs/dbraw/zinc/79/70/65/1045797065.db2.gz RUTZJGFRUYSTKF-AWEZNQCLSA-N 1 0 310.463 4.477 20 5 DIBDRO CSCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753967699 1045826973 /nfs/dbraw/zinc/82/69/73/1045826973.db2.gz GMWQAKKQDZNEJS-SQWLQELKSA-N 1 0 322.474 4.037 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CC=CCC3)o2)c1 ZINC000520217371 1045894091 /nfs/dbraw/zinc/89/40/91/1045894091.db2.gz XFOPTEVVIOPDQA-AWEZNQCLSA-N 1 0 312.369 4.301 20 5 DIBDRO CSCCCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193306797 1045991369 /nfs/dbraw/zinc/99/13/69/1045991369.db2.gz HDBZHTGPWBUXJB-MRXNPFEDSA-N 1 0 308.447 4.095 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453228131 1045995427 /nfs/dbraw/zinc/99/54/27/1045995427.db2.gz ZICNCPHAHBZKGD-JSGCOSHPSA-N 1 0 314.410 4.135 20 5 DIBDRO C[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000453247855 1046002969 /nfs/dbraw/zinc/00/29/69/1046002969.db2.gz BGJBNZMQINBJEJ-LBPRGKRZSA-N 1 0 314.360 4.462 20 5 DIBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453250760 1046003504 /nfs/dbraw/zinc/00/35/04/1046003504.db2.gz YZHPRRRIZQMDRT-PMUMKWKESA-N 1 0 314.385 4.022 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453268853 1046009571 /nfs/dbraw/zinc/00/95/71/1046009571.db2.gz KWCNSPAWOCPQIP-PBFPGSCMSA-N 1 0 312.369 4.158 20 5 DIBDRO Cc1cccc(C2([NH2+]Cc3cc(F)ccc3[N+](=O)[O-])CCC2)c1 ZINC000829870276 1046022402 /nfs/dbraw/zinc/02/24/02/1046022402.db2.gz GLQMADJGXJFSID-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO Cc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)CCC2)c1 ZINC000829879441 1046023784 /nfs/dbraw/zinc/02/37/84/1046023784.db2.gz UPQMRHOKQVTADG-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(C2CC2)c1 ZINC000830195455 1046049397 /nfs/dbraw/zinc/04/93/97/1046049397.db2.gz ZUIDTXAKAKWYSR-GFCCVEGCSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000532236128 1046123776 /nfs/dbraw/zinc/12/37/76/1046123776.db2.gz YCYZYPMRRUUDEG-STQMWFEESA-N 1 0 304.415 4.186 20 5 DIBDRO Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000195677463 1046131439 /nfs/dbraw/zinc/13/14/39/1046131439.db2.gz ZDBCYALUBYKPJH-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903056595 1046150860 /nfs/dbraw/zinc/15/08/60/1046150860.db2.gz WFJNHOYVAWYIGY-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000903247209 1046207032 /nfs/dbraw/zinc/20/70/32/1046207032.db2.gz ZZKRWNAMYIWAAL-JSGCOSHPSA-N 1 0 313.401 4.061 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000903244718 1046207073 /nfs/dbraw/zinc/20/70/73/1046207073.db2.gz CAROHNVEHCUQBQ-NEPJUHHUSA-N 1 0 319.792 4.098 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903280031 1046219429 /nfs/dbraw/zinc/21/94/29/1046219429.db2.gz AHCHTQHKMIYKBZ-QWRGUYRKSA-N 1 0 312.410 4.059 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903280029 1046220578 /nfs/dbraw/zinc/22/05/78/1046220578.db2.gz AHCHTQHKMIYKBZ-MNOVXSKESA-N 1 0 312.410 4.059 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287517 1046224227 /nfs/dbraw/zinc/22/42/27/1046224227.db2.gz PPGZZODMFPMSGF-XIKOKIGWSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903288795 1046224583 /nfs/dbraw/zinc/22/45/83/1046224583.db2.gz OYRBXRZKEQVOEW-ZJUUUORDSA-N 1 0 324.302 4.424 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903341012 1046252829 /nfs/dbraw/zinc/25/28/29/1046252829.db2.gz UTACHPMGHUXTNV-FZKQIMNGSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903341011 1046253475 /nfs/dbraw/zinc/25/34/75/1046253475.db2.gz UTACHPMGHUXTNV-ACJLOTCBSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000903427633 1046276561 /nfs/dbraw/zinc/27/65/61/1046276561.db2.gz IAVIBHDZAOEWHC-SCLBCKFNSA-N 1 0 311.385 4.100 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)CCC2 ZINC000903427810 1046277342 /nfs/dbraw/zinc/27/73/42/1046277342.db2.gz KFHHBCASQSMKEM-RTBURBONSA-N 1 0 323.396 4.108 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903430056 1046278911 /nfs/dbraw/zinc/27/89/11/1046278911.db2.gz XJCXSUCWKMNNKL-ACJLOTCBSA-N 1 0 311.385 4.100 20 5 DIBDRO CSCc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000795346821 1046292543 /nfs/dbraw/zinc/29/25/43/1046292543.db2.gz YDKDMZAOBWCOHA-CYBMUJFWSA-N 1 0 316.426 4.309 20 5 DIBDRO Cc1ccc(C2=CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000795372448 1046299030 /nfs/dbraw/zinc/29/90/30/1046299030.db2.gz AUYLJVNENVSNCE-UHFFFAOYSA-N 1 0 308.381 4.193 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000037770829 1046338714 /nfs/dbraw/zinc/33/87/14/1046338714.db2.gz BFJRPKAFMGVVAJ-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464010 1046438127 /nfs/dbraw/zinc/43/81/27/1046438127.db2.gz JDYBDKJOBWJYKD-NEPJUHHUSA-N 1 0 318.339 4.409 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783674966 1046621010 /nfs/dbraw/zinc/62/10/10/1046621010.db2.gz SOPVMJOOZQITHH-VIFPVBQESA-N 1 0 310.703 4.069 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000093632907 1046634476 /nfs/dbraw/zinc/63/44/76/1046634476.db2.gz KTIUUYZHEBPSHO-CYBMUJFWSA-N 1 0 322.817 4.477 20 5 DIBDRO CC(C)(NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000795953312 1046700536 /nfs/dbraw/zinc/70/05/36/1046700536.db2.gz PFJDRJCJRCJYKY-UHFFFAOYSA-N 1 0 324.302 4.037 20 5 DIBDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000834894883 1046703908 /nfs/dbraw/zinc/70/39/08/1046703908.db2.gz WLNLEDMPHJLCHP-GWCFXTLKSA-N 1 0 317.216 4.219 20 5 DIBDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000302836509 1046805546 /nfs/dbraw/zinc/80/55/46/1046805546.db2.gz GXJPEXJPPRQILM-HNNXBMFYSA-N 1 0 310.397 4.396 20 5 DIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000302803037 1046806375 /nfs/dbraw/zinc/80/63/75/1046806375.db2.gz FSXBBIRMGCCGAJ-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO Cc1ccc(C[C@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000303742809 1046953835 /nfs/dbraw/zinc/95/38/35/1046953835.db2.gz IXWCYTPQUJBVGU-INIZCTEOSA-N 1 0 312.413 4.009 20 5 DIBDRO C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000799983174 1047078827 /nfs/dbraw/zinc/07/88/27/1047078827.db2.gz WOAQZRVRCGVMTL-BZNIZROVSA-N 1 0 316.788 4.066 20 5 DIBDRO C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000799983175 1047078844 /nfs/dbraw/zinc/07/88/44/1047078844.db2.gz WOAQZRVRCGVMTL-MEDUHNTESA-N 1 0 316.788 4.066 20 5 DIBDRO CCC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000536835618 1047106211 /nfs/dbraw/zinc/10/62/11/1047106211.db2.gz VDZIRFUYTXHIAT-DLBZAZTESA-N 1 0 322.449 4.069 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000536877343 1047118635 /nfs/dbraw/zinc/11/86/35/1047118635.db2.gz OBWPRWHSCWRNIY-HNNXBMFYSA-N 1 0 302.761 4.025 20 5 DIBDRO CC(C)(O)C1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000839140511 1047196922 /nfs/dbraw/zinc/19/69/22/1047196922.db2.gz RJFQJBYKUCKQKW-UHFFFAOYSA-N 1 0 305.421 4.196 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000122021397 1047257313 /nfs/dbraw/zinc/25/73/13/1047257313.db2.gz SXSHSVALNZPYQP-QWHCGFSZSA-N 1 0 302.349 4.454 20 5 DIBDRO C[C@@H]1COCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141722741 1047275703 /nfs/dbraw/zinc/27/57/03/1047275703.db2.gz HHNGGDJNIFOYQR-INIZCTEOSA-N 1 0 305.421 4.461 20 5 DIBDRO C[C@H]1COCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141722742 1047276179 /nfs/dbraw/zinc/27/61/79/1047276179.db2.gz HHNGGDJNIFOYQR-MRXNPFEDSA-N 1 0 305.421 4.461 20 5 DIBDRO CO[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1F ZINC001141723419 1047277897 /nfs/dbraw/zinc/27/78/97/1047277897.db2.gz XABDLKGBPIECOB-PMACEKPBSA-N 1 0 309.384 4.162 20 5 DIBDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141722907 1047279134 /nfs/dbraw/zinc/27/91/34/1047279134.db2.gz JTCNXBZBTATBQG-FQEVSTJZSA-N 1 0 319.404 4.130 20 5 DIBDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141727947 1047281019 /nfs/dbraw/zinc/28/10/19/1047281019.db2.gz IVLBTHCXPBQENM-QAPCUYQASA-N 1 0 305.421 4.338 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000726598049 1047368635 /nfs/dbraw/zinc/36/86/35/1047368635.db2.gz NBBGYEKFHZGIQR-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000841062866 1047376962 /nfs/dbraw/zinc/37/69/62/1047376962.db2.gz CZBBNIPFKAAUCK-QVKFZJNVSA-N 1 0 304.437 4.081 20 5 DIBDRO C[C@@H]1C[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)CC[NH2+]1 ZINC000841060788 1047377127 /nfs/dbraw/zinc/37/71/27/1047377127.db2.gz BVGLXPDQYMWIKL-CRAIPNDOSA-N 1 0 304.437 4.223 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000749839467 1047439671 /nfs/dbraw/zinc/43/96/71/1047439671.db2.gz CESIRSGHMAEJPS-CHWSQXEVSA-N 1 0 302.349 4.188 20 5 DIBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000537986953 1047650861 /nfs/dbraw/zinc/65/08/61/1047650861.db2.gz LMGQVEMWJCFMIJ-LIRRHRJNSA-N 1 0 310.397 4.267 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000537966289 1047650899 /nfs/dbraw/zinc/65/08/99/1047650899.db2.gz DDRSFPVNWUJQPD-STQMWFEESA-N 1 0 304.415 4.247 20 5 DIBDRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538555355 1047687814 /nfs/dbraw/zinc/68/78/14/1047687814.db2.gz ZYXKUBYYKNWZLQ-GFCCVEGCSA-N 1 0 300.333 4.074 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC1 ZINC000539067027 1047733885 /nfs/dbraw/zinc/73/38/85/1047733885.db2.gz ZCPCHKDKUHSNEC-LSDHHAIUSA-N 1 0 324.371 4.083 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000927035436 1047766274 /nfs/dbraw/zinc/76/62/74/1047766274.db2.gz GPIRTKRTLCGXMF-RYUDHWBXSA-N 1 0 324.421 4.203 20 5 DIBDRO Cc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CCC2)o1 ZINC000478485902 1047791807 /nfs/dbraw/zinc/79/18/07/1047791807.db2.gz ZTIJDJNOVCWTSK-SFHVURJKSA-N 1 0 314.385 4.436 20 5 DIBDRO c1nn(C2C[NH2+]C2)cc1Nc1cc2ccccc2c2ccccc12 ZINC001159248676 1047823571 /nfs/dbraw/zinc/82/35/71/1047823571.db2.gz UESKZQNJULSXGM-UHFFFAOYSA-N 1 0 314.392 4.077 20 5 DIBDRO C[C@H]([NH2+]CCCc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001197660982 1047859979 /nfs/dbraw/zinc/85/99/79/1047859979.db2.gz RTTCHBGIUMKCMX-LBPRGKRZSA-N 1 0 320.339 4.156 20 5 DIBDRO Cc1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159598599 1047877655 /nfs/dbraw/zinc/87/76/55/1047877655.db2.gz VIJASWKXHUJMSB-UHFFFAOYSA-N 1 0 311.385 4.114 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001183344911 1047921705 /nfs/dbraw/zinc/92/17/05/1047921705.db2.gz AKVKBVHHJSWPAT-IEBWSBKVSA-N 1 0 310.397 4.187 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001183345107 1047922706 /nfs/dbraw/zinc/92/27/06/1047922706.db2.gz FEEDALUZTRTCCS-AWEZNQCLSA-N 1 0 316.376 4.153 20 5 DIBDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000479560750 1047932454 /nfs/dbraw/zinc/93/24/54/1047932454.db2.gz YSNVQXMTLSJREN-UHFFFAOYSA-N 1 0 304.777 4.270 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC2CC2)CC1 ZINC001183561228 1047941645 /nfs/dbraw/zinc/94/16/45/1047941645.db2.gz ORKFVPZJLKACIT-CQSZACIVSA-N 1 0 302.418 4.086 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001183780221 1047965251 /nfs/dbraw/zinc/96/52/51/1047965251.db2.gz UXJOFIVWUGHWIF-VXGBXAGGSA-N 1 0 320.339 4.327 20 5 DIBDRO [NH3+]Cc1cccc2ccn(-c3ccc4ccc5cccnc5c4n3)c21 ZINC001160456251 1048050195 /nfs/dbraw/zinc/05/01/95/1048050195.db2.gz FOBMXTPQGIRDRS-UHFFFAOYSA-N 1 0 324.387 4.186 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000480083201 1048055292 /nfs/dbraw/zinc/05/52/92/1048055292.db2.gz PLEKGZZTPGJQSA-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000554365575 1048079764 /nfs/dbraw/zinc/07/97/64/1048079764.db2.gz OEABSOAIABHLDD-LRDDRELGSA-N 1 0 320.458 4.050 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4ccc(O)cc4)cc3[nH+]c2c1 ZINC001175051164 1048110145 /nfs/dbraw/zinc/11/01/45/1048110145.db2.gz MRKJBHDOKLWPHG-UHFFFAOYSA-N 1 0 301.349 4.419 20 5 DIBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc2cccnc12 ZINC000480440993 1048143385 /nfs/dbraw/zinc/14/33/85/1048143385.db2.gz GHFLAYYOQNKIDL-UHFFFAOYSA-N 1 0 321.380 4.050 20 5 DIBDRO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480483182 1048151225 /nfs/dbraw/zinc/15/12/25/1048151225.db2.gz UEMXQMBRNPNFQP-UHFFFAOYSA-N 1 0 318.804 4.463 20 5 DIBDRO CC[C@](C)([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001175240383 1048213019 /nfs/dbraw/zinc/21/30/19/1048213019.db2.gz YZOWOOHPQFNVNZ-SFHVURJKSA-N 1 0 316.376 4.457 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCO[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000480718779 1048227986 /nfs/dbraw/zinc/22/79/86/1048227986.db2.gz FLYQQJPGDRURQJ-ZVZYQTTQSA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000480718778 1048228080 /nfs/dbraw/zinc/22/80/80/1048228080.db2.gz FLYQQJPGDRURQJ-YXJHDRRASA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[PH+](C(C)C)C(C)C)n1 ZINC001162361722 1048267796 /nfs/dbraw/zinc/26/77/96/1048267796.db2.gz CDUJUBLLPLSYFO-UHFFFAOYSA-N 1 0 311.366 4.317 20 5 DIBDRO CC(C)[PH+](CCNc1cc(Cl)cc([N+](=O)[O-])n1)C(C)C ZINC001162358371 1048267815 /nfs/dbraw/zinc/26/78/15/1048267815.db2.gz NVFMGJMUEAPCPC-UHFFFAOYSA-N 1 0 317.757 4.354 20 5 DIBDRO Cc1c(C)c(NCC[PH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC001162361906 1048270199 /nfs/dbraw/zinc/27/01/99/1048270199.db2.gz KTJYCXQZVLHBDO-UHFFFAOYSA-N 1 0 311.366 4.317 20 5 DIBDRO CC[N@H+](CCCNc1ccc(C)cc1[N+](=O)[O-])C1CCCCC1 ZINC001186931306 1048356097 /nfs/dbraw/zinc/35/60/97/1048356097.db2.gz UBOJTXLXEZAHAH-UHFFFAOYSA-N 1 0 319.449 4.360 20 5 DIBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c([N+](=O)[O-])s1 ZINC001187361282 1048392117 /nfs/dbraw/zinc/39/21/17/1048392117.db2.gz IAWFKBJRQOCHNU-AWEZNQCLSA-N 1 0 323.462 4.174 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000555593721 1048398450 /nfs/dbraw/zinc/39/84/50/1048398450.db2.gz MNXJXWXXCHJVPQ-UHFFFAOYSA-N 1 0 320.339 4.305 20 5 DIBDRO CSCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC001201988758 1048424699 /nfs/dbraw/zinc/42/46/99/1048424699.db2.gz HBVDKXJGKVARNQ-UHFFFAOYSA-N 1 0 316.426 4.056 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481750451 1048478657 /nfs/dbraw/zinc/47/86/57/1048478657.db2.gz PQPUVCYBJLOZPG-AWEZNQCLSA-N 1 0 308.381 4.203 20 5 DIBDRO Cc1ccc(C2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)cc1C ZINC001202220773 1048486490 /nfs/dbraw/zinc/48/64/90/1048486490.db2.gz VZZUBLVVGIGQRU-UHFFFAOYSA-N 1 0 324.424 4.423 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)cs1 ZINC000481820731 1048496506 /nfs/dbraw/zinc/49/65/06/1048496506.db2.gz YAYUPOJSDCTHLI-STQMWFEESA-N 1 0 320.389 4.221 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000481832168 1048498115 /nfs/dbraw/zinc/49/81/15/1048498115.db2.gz NUGULJJOQWRHDJ-LSDHHAIUSA-N 1 0 314.360 4.160 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC001176036362 1048540288 /nfs/dbraw/zinc/54/02/88/1048540288.db2.gz KNHWSTCVZMSAQY-UONOGXRCSA-N 1 0 310.397 4.495 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001176038003 1048541376 /nfs/dbraw/zinc/54/13/76/1048541376.db2.gz ZCEHPGKROYYPQZ-WBMJQRKESA-N 1 0 302.399 4.239 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)F)nc1 ZINC000850471959 1048668654 /nfs/dbraw/zinc/66/86/54/1048668654.db2.gz VBISAHNRECJURC-WDEREUQCSA-N 1 0 321.327 4.339 20 5 DIBDRO CC[C@H]([NH2+]CCCc1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000157310772 1048718604 /nfs/dbraw/zinc/71/86/04/1048718604.db2.gz MFSSFVKKNNRLJY-HNNXBMFYSA-N 1 0 319.430 4.033 20 5 DIBDRO CCOc1cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC001176793208 1048786931 /nfs/dbraw/zinc/78/69/31/1048786931.db2.gz QFZFSCCJQXYYIA-LSDHHAIUSA-N 1 0 318.417 4.004 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000483603926 1048825807 /nfs/dbraw/zinc/82/58/07/1048825807.db2.gz GVNHKDYKXIJXCQ-WFASDCNBSA-N 1 0 316.401 4.477 20 5 DIBDRO CCOc1cc(C[N@H+](CCC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC001167004964 1048827114 /nfs/dbraw/zinc/82/71/14/1048827114.db2.gz MQFAJSMVOGOUGN-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1Nc1cnoc1 ZINC001203244932 1048852847 /nfs/dbraw/zinc/85/28/47/1048852847.db2.gz HSBUZZCEJOUQAO-UHFFFAOYSA-N 1 0 318.380 4.494 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001177282960 1048866395 /nfs/dbraw/zinc/86/63/95/1048866395.db2.gz QSJOQLOTUPGSKB-XNTDXEJSSA-N 1 0 322.408 4.277 20 5 DIBDRO Cc1c([C@@H](C)NCCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000483865546 1048874460 /nfs/dbraw/zinc/87/44/60/1048874460.db2.gz QYQZRTMVXQIIEB-MRXNPFEDSA-N 1 0 321.465 4.063 20 5 DIBDRO CCC[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001191258522 1048896548 /nfs/dbraw/zinc/89/65/48/1048896548.db2.gz NLOWBOGZXLYKLB-KRWDZBQOSA-N 1 0 306.406 4.006 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001203478992 1048911173 /nfs/dbraw/zinc/91/11/73/1048911173.db2.gz MVPICCNOGXAJFC-ZDUSSCGKSA-N 1 0 312.360 4.127 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000484477295 1048948506 /nfs/dbraw/zinc/94/85/06/1048948506.db2.gz XOUMCJTZXOLXFD-KSSFIOAISA-N 1 0 320.433 4.231 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC001178295449 1049013509 /nfs/dbraw/zinc/01/35/09/1049013509.db2.gz QGSKAEIIELTJBH-CQSZACIVSA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001178317793 1049021446 /nfs/dbraw/zinc/02/14/46/1049021446.db2.gz OOFOABGURMGYDM-LIRRHRJNSA-N 1 0 310.397 4.316 20 5 DIBDRO CCc1oc2ccccc2c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001178386741 1049024441 /nfs/dbraw/zinc/02/44/41/1049024441.db2.gz JUTZQIPYSDTZIF-UHFFFAOYSA-N 1 0 324.380 4.236 20 5 DIBDRO CC1(O)C[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204002304 1049058857 /nfs/dbraw/zinc/05/88/57/1049058857.db2.gz PMCQELCIHSHPOL-UHFFFAOYSA-N 1 0 301.389 4.151 20 5 DIBDRO CC1(CO)C[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204002666 1049058989 /nfs/dbraw/zinc/05/89/89/1049058989.db2.gz WLOJRBQRJCKEOZ-UHFFFAOYSA-N 1 0 315.416 4.398 20 5 DIBDRO OCC1C[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204005994 1049060835 /nfs/dbraw/zinc/06/08/35/1049060835.db2.gz ZVVASQZZETUOLV-UHFFFAOYSA-N 1 0 301.389 4.008 20 5 DIBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC001178791374 1049089406 /nfs/dbraw/zinc/08/94/06/1049089406.db2.gz ZDMPWAKQUWSDQU-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC001178868580 1049102840 /nfs/dbraw/zinc/10/28/40/1049102840.db2.gz UUIWKWNVQOXUOT-GOSISDBHSA-N 1 0 302.418 4.387 20 5 DIBDRO O[C@@H]1CCC[C@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001178954678 1049114353 /nfs/dbraw/zinc/11/43/53/1049114353.db2.gz RASUFUOHNAOORD-LAUBAEHRSA-N 1 0 305.421 4.244 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC001179044712 1049122241 /nfs/dbraw/zinc/12/22/41/1049122241.db2.gz OPAIMYGMTBRRFG-AEFFLSMTSA-N 1 0 320.433 4.156 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC001179044715 1049122449 /nfs/dbraw/zinc/12/24/49/1049122449.db2.gz OPAIMYGMTBRRFG-WMZOPIPTSA-N 1 0 320.433 4.156 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857083110 1049127046 /nfs/dbraw/zinc/12/70/46/1049127046.db2.gz TVHNETMYGVYACF-WDEREUQCSA-N 1 0 317.216 4.138 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001192939760 1049157614 /nfs/dbraw/zinc/15/76/14/1049157614.db2.gz RHPSFQUXMKCDTQ-CQSZACIVSA-N 1 0 310.397 4.449 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC001179369900 1049160690 /nfs/dbraw/zinc/16/06/90/1049160690.db2.gz ODYUSNYNAPKHST-UHFFFAOYSA-N 1 0 316.401 4.392 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC001179391446 1049162043 /nfs/dbraw/zinc/16/20/43/1049162043.db2.gz UCSWKTAQSZKTMA-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO Cc1cccc2[nH]c(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])cc21 ZINC001179512374 1049177228 /nfs/dbraw/zinc/17/72/28/1049177228.db2.gz SONXIBPYJNKQRR-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001179578993 1049179524 /nfs/dbraw/zinc/17/95/24/1049179524.db2.gz GFYSOZTYNKXASN-IBUXWKBASA-N 1 0 300.333 4.098 20 5 DIBDRO C[C@@H](C[NH2+]Cc1cncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001179685867 1049192169 /nfs/dbraw/zinc/19/21/69/1049192169.db2.gz RQKLZTXNJAEYGE-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001179686193 1049192404 /nfs/dbraw/zinc/19/24/04/1049192404.db2.gz UKTBBDALIVALCA-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3[nH]ccc3c2)C2CC2)cc1 ZINC001179909954 1049239673 /nfs/dbraw/zinc/23/96/73/1049239673.db2.gz YCRCLEDYABCDLA-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO O=[N+]([O-])c1cccc(CN(Cc2ccco2)Cc2ccccc2)c1 ZINC000026860504 1049270079 /nfs/dbraw/zinc/27/00/79/1049270079.db2.gz WCPWADDEQHJPSZ-UHFFFAOYSA-N 1 0 322.364 4.390 20 5 DIBDRO NC[C@@H]1CCCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001204925453 1049313851 /nfs/dbraw/zinc/31/38/51/1049313851.db2.gz SZAFZDDEXSLNEX-SFHVURJKSA-N 1 0 304.437 4.306 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000485708825 1049318598 /nfs/dbraw/zinc/31/85/98/1049318598.db2.gz NCCYXQNHKFREMB-GFCCVEGCSA-N 1 0 320.339 4.374 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000485718204 1049322954 /nfs/dbraw/zinc/32/29/54/1049322954.db2.gz RFVXHAQRIUISNJ-CQSZACIVSA-N 1 0 318.398 4.002 20 5 DIBDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001204975848 1049328200 /nfs/dbraw/zinc/32/82/00/1049328200.db2.gz MMDNJRPMVPJAJC-IFXJQAMLSA-N 1 0 310.397 4.051 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001180317321 1049328720 /nfs/dbraw/zinc/32/87/20/1049328720.db2.gz DKBMLSWRFTXCLT-YEWWUXTCSA-N 1 0 302.418 4.222 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001194152907 1049329046 /nfs/dbraw/zinc/32/90/46/1049329046.db2.gz JMNNKDYBAVOUFQ-SUMWQHHRSA-N 1 0 314.360 4.317 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC34CCC(CC3)C4)C2)cc1 ZINC001194478454 1049380669 /nfs/dbraw/zinc/38/06/69/1049380669.db2.gz WIXVRLBFLJKHEH-RMXPPQQLSA-N 1 0 314.429 4.355 20 5 DIBDRO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001180953332 1049422655 /nfs/dbraw/zinc/42/26/55/1049422655.db2.gz PBSYSRYYVIUYRD-DOTOQJQBSA-N 1 0 316.445 4.332 20 5 DIBDRO CC(C)([NH2+]C/C=C/c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001205290818 1049429137 /nfs/dbraw/zinc/42/91/37/1049429137.db2.gz BXOWZONTWYVLHQ-GQCTYLIASA-N 1 0 314.360 4.272 20 5 DIBDRO C[C@H](CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001181154688 1049448276 /nfs/dbraw/zinc/44/82/76/1049448276.db2.gz SYMKHUHHTCAEQB-MRXNPFEDSA-N 1 0 312.413 4.263 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2ccoc21 ZINC001181154823 1049448488 /nfs/dbraw/zinc/44/84/88/1049448488.db2.gz UYCSOVXZRWBPAR-UHFFFAOYSA-N 1 0 310.353 4.016 20 5 DIBDRO Cc1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000486894598 1049486798 /nfs/dbraw/zinc/48/67/98/1049486798.db2.gz ATSUTKVDHZBWNO-UHFFFAOYSA-N 1 0 316.426 4.344 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)cs1 ZINC000486903490 1049490145 /nfs/dbraw/zinc/49/01/45/1049490145.db2.gz JWFDOPCIHSVZMC-HOTGVXAUSA-N 1 0 316.426 4.472 20 5 DIBDRO C[N@H+](Cc1c2ccccc2cc2ccccc21)CC1(C)COC1 ZINC000862477044 1049496156 /nfs/dbraw/zinc/49/61/56/1049496156.db2.gz GZLBVOYSPDSFPQ-UHFFFAOYSA-N 1 0 305.421 4.461 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862498311 1049498426 /nfs/dbraw/zinc/49/84/26/1049498426.db2.gz CWUXQUOOWUYVJO-UHFFFAOYSA-N 1 0 320.767 4.409 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001205875418 1049589700 /nfs/dbraw/zinc/58/97/00/1049589700.db2.gz JSOFFRDVTQLDSE-OBIQQPLYSA-N 1 0 312.413 4.119 20 5 DIBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC(C)(C)C1 ZINC001195996039 1049600785 /nfs/dbraw/zinc/60/07/85/1049600785.db2.gz YUMWJJCNJBTCKR-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO CCC1(CC)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001196103280 1049614581 /nfs/dbraw/zinc/61/45/81/1049614581.db2.gz BUERGQMDGUZLFX-UHFFFAOYSA-N 1 0 317.389 4.138 20 5 DIBDRO C[C@H](Nc1cc[nH+]c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000864019128 1049625271 /nfs/dbraw/zinc/62/52/71/1049625271.db2.gz ORPWHSPLIMLNAF-NSHDSACASA-N 1 0 311.316 4.455 20 5 DIBDRO Cc1cccc(F)c1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774212165 1049625731 /nfs/dbraw/zinc/62/57/31/1049625731.db2.gz JAIKPBZGFBSMSF-SFHVURJKSA-N 1 0 314.360 4.210 20 5 DIBDRO CCC[C@H]1CCCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001182371018 1049636507 /nfs/dbraw/zinc/63/65/07/1049636507.db2.gz YCAQXDDCVNDONI-DLBZAZTESA-N 1 0 304.434 4.333 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC001196312021 1049636917 /nfs/dbraw/zinc/63/69/17/1049636917.db2.gz KDJXZTGAJHJSOW-ZBEGNZNMSA-N 1 0 310.344 4.028 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488412902 1049651817 /nfs/dbraw/zinc/65/18/17/1049651817.db2.gz DTFNIVRCWZTPIL-CORIIIEPSA-N 1 0 308.447 4.166 20 5 DIBDRO CSCCCCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774353457 1049656820 /nfs/dbraw/zinc/65/68/20/1049656820.db2.gz KFMZYOYSSJVGCK-KRWDZBQOSA-N 1 0 322.474 4.485 20 5 DIBDRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488495472 1049661401 /nfs/dbraw/zinc/66/14/01/1049661401.db2.gz QEKOTIRHQSLVML-CQSZACIVSA-N 1 0 314.385 4.187 20 5 DIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC12CCCC2 ZINC001182753078 1049704941 /nfs/dbraw/zinc/70/49/41/1049704941.db2.gz FGRRJNVUAORARP-UHFFFAOYSA-N 1 0 314.307 4.132 20 5 DIBDRO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001206605675 1049767076 /nfs/dbraw/zinc/76/70/76/1049767076.db2.gz VQIRCEXCPPELEG-YQQAZPJKSA-N 1 0 304.434 4.332 20 5 DIBDRO CC1(C[NH3+])C[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001206711603 1049782136 /nfs/dbraw/zinc/78/21/36/1049782136.db2.gz LMFVDPAIHOZKSW-UHFFFAOYSA-N 1 0 314.432 4.365 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC001206771922 1049796794 /nfs/dbraw/zinc/79/67/94/1049796794.db2.gz TUEXSTLFLFSMTN-UHFFFAOYSA-N 1 0 324.730 4.316 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCc1cccs1 ZINC000490092031 1049801134 /nfs/dbraw/zinc/80/11/34/1049801134.db2.gz XHPLCABAWLODRD-CYBMUJFWSA-N 1 0 304.415 4.200 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCc1cccs1 ZINC000490092032 1049801635 /nfs/dbraw/zinc/80/16/35/1049801635.db2.gz XHPLCABAWLODRD-ZDUSSCGKSA-N 1 0 304.415 4.200 20 5 DIBDRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001207434150 1049892688 /nfs/dbraw/zinc/89/26/88/1049892688.db2.gz UOVHURKLHBOBRJ-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571298266 1049928458 /nfs/dbraw/zinc/92/84/58/1049928458.db2.gz VAPGORDHVMTAEA-CHWSQXEVSA-N 1 0 316.323 4.149 20 5 DIBDRO COCC(C)(C)CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000588930339 1050012900 /nfs/dbraw/zinc/01/29/00/1050012900.db2.gz WZKVOTPJUIYAHG-RVDMUPIBSA-N 1 0 320.433 4.041 20 5 DIBDRO Cc1ccccc1[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000589600765 1050048140 /nfs/dbraw/zinc/04/81/40/1050048140.db2.gz OIAPXVRHUYGIIM-LRDDRELGSA-N 1 0 319.430 4.068 20 5 DIBDRO CC(C)([NH2+]Cc1cc2ccccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000589939745 1050068597 /nfs/dbraw/zinc/06/85/97/1050068597.db2.gz HORKFSYJDVSJFX-UHFFFAOYSA-N 1 0 309.369 4.101 20 5 DIBDRO Cc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000766216653 1050463915 /nfs/dbraw/zinc/46/39/15/1050463915.db2.gz QTVXESFTJQLUSJ-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO C[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000844636995 1050474418 /nfs/dbraw/zinc/47/44/18/1050474418.db2.gz OHLAZQIXTUFDNF-CMPLNLGQSA-N 1 0 317.216 4.219 20 5 DIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000738330056 1050531532 /nfs/dbraw/zinc/53/15/32/1050531532.db2.gz GALJEMISIAQXCZ-AWEZNQCLSA-N 1 0 316.376 4.105 20 5 DIBDRO Cc1ccc([C@H](C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000738435796 1050532762 /nfs/dbraw/zinc/53/27/62/1050532762.db2.gz MCBOZEAVDJPRNK-CYBMUJFWSA-N 1 0 318.804 4.450 20 5 DIBDRO CC(C)(F)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000594972744 1050573133 /nfs/dbraw/zinc/57/31/33/1050573133.db2.gz IYUASJQCTOQDPR-UHFFFAOYSA-N 1 0 306.337 4.083 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595013018 1050585024 /nfs/dbraw/zinc/58/50/24/1050585024.db2.gz ISZKIMKKAHVFGT-SUMWQHHRSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595013015 1050586372 /nfs/dbraw/zinc/58/63/72/1050586372.db2.gz ISZKIMKKAHVFGT-CXAGYDPISA-N 1 0 314.385 4.405 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000594984257 1050587163 /nfs/dbraw/zinc/58/71/63/1050587163.db2.gz QHGJIPALONMCED-HWKANZROSA-N 1 0 322.355 4.166 20 5 DIBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000594991110 1050590851 /nfs/dbraw/zinc/59/08/51/1050590851.db2.gz ZWLCYTYLBWKXJX-CMCMEEKXSA-N 1 0 306.381 4.114 20 5 DIBDRO Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000595001744 1050590916 /nfs/dbraw/zinc/59/09/16/1050590916.db2.gz WYPRPHAVJYYMSS-HNNXBMFYSA-N 1 0 302.399 4.132 20 5 DIBDRO CC[C@@H]([NH2+]CCC1(CSC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595064467 1050596425 /nfs/dbraw/zinc/59/64/25/1050596425.db2.gz BIXYKKKGADHZHX-OAHLLOKOSA-N 1 0 308.447 4.169 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000595047222 1050602199 /nfs/dbraw/zinc/60/21/99/1050602199.db2.gz CEGCHMFQOXWAIF-KDOFPFPSSA-N 1 0 313.401 4.224 20 5 DIBDRO COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000595106280 1050607040 /nfs/dbraw/zinc/60/70/40/1050607040.db2.gz RRKHSEGKMMIVGL-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CSCC1(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000595075767 1050607695 /nfs/dbraw/zinc/60/76/95/1050607695.db2.gz YEQSWILCTIURSM-ZDUSSCGKSA-N 1 0 308.447 4.087 20 5 DIBDRO CC(C)(F)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595082674 1050609023 /nfs/dbraw/zinc/60/90/23/1050609023.db2.gz CPYUQOMXUKZLNM-DZGCQCFKSA-N 1 0 308.397 4.034 20 5 DIBDRO CC(C)(F)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595082683 1050610194 /nfs/dbraw/zinc/61/01/94/1050610194.db2.gz CPYUQOMXUKZLNM-ZFWWWQNUSA-N 1 0 308.397 4.034 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595292124 1050615852 /nfs/dbraw/zinc/61/58/52/1050615852.db2.gz POHYIMVPHRKTJE-KRWDZBQOSA-N 1 0 302.349 4.221 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595407251 1050630695 /nfs/dbraw/zinc/63/06/95/1050630695.db2.gz FFNNYKXFJKKVHP-MRXNPFEDSA-N 1 0 302.349 4.365 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000595409955 1050630979 /nfs/dbraw/zinc/63/09/79/1050630979.db2.gz HQNOHZLMXGUTOX-OAHLLOKOSA-N 1 0 306.362 4.036 20 5 DIBDRO CC[C@@H](CC(F)F)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595386709 1050631041 /nfs/dbraw/zinc/63/10/41/1050631041.db2.gz LVJWCLCPHFRIGA-LBPRGKRZSA-N 1 0 312.360 4.241 20 5 DIBDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595418347 1050632931 /nfs/dbraw/zinc/63/29/31/1050632931.db2.gz OPPNCWBGHMTAQR-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO C[C@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]1(F)Cl ZINC000846031861 1050650301 /nfs/dbraw/zinc/65/03/01/1050650301.db2.gz CTLLACLZBRCSRL-STQMWFEESA-N 1 0 321.179 4.043 20 5 DIBDRO CC[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])CC(F)F ZINC000595508944 1050636561 /nfs/dbraw/zinc/63/65/61/1050636561.db2.gz CTEGSSSONNANFU-NSHDSACASA-N 1 0 300.349 4.101 20 5 DIBDRO Cc1cccc(C2([NH2+]Cc3ccc(F)cc3[N+](=O)[O-])CCC2)c1 ZINC000595562416 1050639434 /nfs/dbraw/zinc/63/94/34/1050639434.db2.gz KJDVTEIGDZODEI-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO FC(F)COCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000788077704 1050649567 /nfs/dbraw/zinc/64/95/67/1050649567.db2.gz PZJZCIVHVVYTGC-UHFFFAOYSA-N 1 0 315.363 4.364 20 5 DIBDRO C[C@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]1(F)Cl ZINC000846031860 1050651116 /nfs/dbraw/zinc/65/11/16/1050651116.db2.gz CTLLACLZBRCSRL-QWHCGFSZSA-N 1 0 321.179 4.043 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccco2)CC1 ZINC000595618140 1050651754 /nfs/dbraw/zinc/65/17/54/1050651754.db2.gz MSFPJHFCKWXGET-CYBMUJFWSA-N 1 0 300.358 4.128 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccco2)CC1 ZINC000595618436 1050651802 /nfs/dbraw/zinc/65/18/02/1050651802.db2.gz PIDUCPLXNAFSNX-CYBMUJFWSA-N 1 0 300.358 4.128 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000595692727 1050660806 /nfs/dbraw/zinc/66/08/06/1050660806.db2.gz QWAXJOAJIKVLCI-QGZVFWFLSA-N 1 0 302.349 4.221 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846107084 1050664615 /nfs/dbraw/zinc/66/46/15/1050664615.db2.gz FCPIWFBLDHELMW-INIZCTEOSA-N 1 0 324.371 4.339 20 5 DIBDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788477641 1050687276 /nfs/dbraw/zinc/68/72/76/1050687276.db2.gz DSDVNFMPHVJNQY-CYBMUJFWSA-N 1 0 302.349 4.235 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000788497199 1050690058 /nfs/dbraw/zinc/69/00/58/1050690058.db2.gz FXKILEBLLJWRMA-WDEREUQCSA-N 1 0 319.792 4.242 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000788496698 1050692637 /nfs/dbraw/zinc/69/26/37/1050692637.db2.gz AOKNYUFQOQIGKT-MNOVXSKESA-N 1 0 319.792 4.242 20 5 DIBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788502846 1050693173 /nfs/dbraw/zinc/69/31/73/1050693173.db2.gz AFFILEPSEJSBJJ-FZKQIMNGSA-N 1 0 313.401 4.225 20 5 DIBDRO Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000060041956 1050695706 /nfs/dbraw/zinc/69/57/06/1050695706.db2.gz TVFVXHIGRUEJEE-UHFFFAOYSA-N 1 0 304.415 4.375 20 5 DIBDRO Cc1cc(CNc2ccc(C(F)F)cc2[N+](=O)[O-])cc(C)n1 ZINC000596278879 1050696008 /nfs/dbraw/zinc/69/60/08/1050696008.db2.gz JWVDKSQKKIFJAZ-UHFFFAOYSA-N 1 0 307.300 4.156 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788596681 1050711137 /nfs/dbraw/zinc/71/11/37/1050711137.db2.gz ZZKQMQZAPHZJFQ-ZIAGYGMSSA-N 1 0 313.401 4.206 20 5 DIBDRO Cc1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001213667018 1050713167 /nfs/dbraw/zinc/71/31/67/1050713167.db2.gz HRSBBICAAWOKAP-UHFFFAOYSA-N 1 0 311.385 4.243 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788687799 1050724123 /nfs/dbraw/zinc/72/41/23/1050724123.db2.gz DWAFRMYPVDFECF-ZDUSSCGKSA-N 1 0 321.380 4.181 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000788667731 1050730428 /nfs/dbraw/zinc/73/04/28/1050730428.db2.gz HZFDHYDFORTCJX-VXGBXAGGSA-N 1 0 317.364 4.036 20 5 DIBDRO Cc1ccc(Nc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001214172033 1050837076 /nfs/dbraw/zinc/83/70/76/1050837076.db2.gz PNZLWEIRFFEJOT-UHFFFAOYSA-N 1 0 311.385 4.243 20 5 DIBDRO CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@H](C)C(C)C ZINC000742549865 1050884955 /nfs/dbraw/zinc/88/49/55/1050884955.db2.gz FZAYOKQMMPAZNI-LLVKDONJSA-N 1 0 323.418 4.196 20 5 DIBDRO CCCCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743863070 1051083298 /nfs/dbraw/zinc/08/32/98/1051083298.db2.gz RXAJGWZRMHTMJD-UHFFFAOYSA-N 1 0 306.406 4.018 20 5 DIBDRO CCC1CCC([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170297940 1051178072 /nfs/dbraw/zinc/17/80/72/1051178072.db2.gz WFQBGYBTDGXSMM-HLIUYOAVSA-N 1 0 320.433 4.093 20 5 DIBDRO CCCCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304965 1051180019 /nfs/dbraw/zinc/18/00/19/1051180019.db2.gz IPEBMUWRWNHSMC-KBPBESRZSA-N 1 0 308.422 4.093 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC001170313012 1051183527 /nfs/dbraw/zinc/18/35/27/1051183527.db2.gz IJJAJMPKIWZETN-ZDUSSCGKSA-N 1 0 320.433 4.093 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+]CCCC2CCCC2)c([N+](=O)[O-])c1 ZINC001170306547 1051188096 /nfs/dbraw/zinc/18/80/96/1051188096.db2.gz XHSGHIIMYZPIPI-CQSZACIVSA-N 1 0 320.433 4.094 20 5 DIBDRO CCCC(CCC)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170309202 1051188437 /nfs/dbraw/zinc/18/84/37/1051188437.db2.gz PEIZSSGDKJQBGH-ZDUSSCGKSA-N 1 0 308.422 4.093 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC001170364289 1051191083 /nfs/dbraw/zinc/19/10/83/1051191083.db2.gz BSKLXJSJJUHACR-OAHLLOKOSA-N 1 0 312.385 4.047 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH+]1CC([C@H]2CCOC2)C1 ZINC000793258155 1051273413 /nfs/dbraw/zinc/27/34/13/1051273413.db2.gz HMCOFIGSPUREOG-SFHVURJKSA-N 1 0 317.432 4.461 20 5 DIBDRO Cc1ccc(C[N@H+](C)CCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001168775913 1051344558 /nfs/dbraw/zinc/34/45/58/1051344558.db2.gz QVCIBJHQLYHXSZ-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC001168849261 1051455338 /nfs/dbraw/zinc/45/53/38/1051455338.db2.gz YLWYLNNMNHLEGJ-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001168978358 1051475648 /nfs/dbraw/zinc/47/56/48/1051475648.db2.gz RHJBAVQIVYUDDS-DCAQKATOSA-N 1 0 317.216 4.089 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+](C2CCCCC2)C2CCCCC2)C1 ZINC001169007651 1051487302 /nfs/dbraw/zinc/48/73/02/1051487302.db2.gz OXIOANXJAGETIR-CRAIPNDOSA-N 1 0 308.466 4.399 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CCCCC2)C1 ZINC001168988428 1051490648 /nfs/dbraw/zinc/49/06/48/1051490648.db2.gz SDFXHGWPFJMKDH-WMLDXEAASA-N 1 0 320.408 4.020 20 5 DIBDRO C[C@H](c1cccc2ccccc21)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169045773 1051495464 /nfs/dbraw/zinc/49/54/64/1051495464.db2.gz JZAIFCOMEQUNCX-BFYDXBDKSA-N 1 0 312.413 4.278 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3ccccc3)CC1)CC2 ZINC001172897617 1051548934 /nfs/dbraw/zinc/54/89/34/1051548934.db2.gz BGTLDIZFPSIKPU-GOSISDBHSA-N 1 0 322.408 4.121 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172897604 1051550224 /nfs/dbraw/zinc/55/02/24/1051550224.db2.gz AZYQSPDWWRFDHF-RDTXWAMCSA-N 1 0 310.397 4.193 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC13CCCCC3)CC2 ZINC001172901741 1051550955 /nfs/dbraw/zinc/55/09/55/1051550955.db2.gz JZZBPKLJSKUALQ-WMZOPIPTSA-N 1 0 314.429 4.155 20 5 DIBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902102 1051551221 /nfs/dbraw/zinc/55/12/21/1051551221.db2.gz VERUMIDWBBVUBG-VBQJREDUSA-N 1 0 304.434 4.257 20 5 DIBDRO CC(C)C([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)C ZINC001172900851 1051551448 /nfs/dbraw/zinc/55/14/48/1051551448.db2.gz GQVZCFAKMVKSLJ-MRXNPFEDSA-N 1 0 304.434 4.112 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CCC3)CC1)CC2 ZINC001172902304 1051551538 /nfs/dbraw/zinc/55/15/38/1051551538.db2.gz AIUIAHLKUFPPCV-QGZVFWFLSA-N 1 0 314.429 4.108 20 5 DIBDRO CC1(C)CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172901137 1051551576 /nfs/dbraw/zinc/55/15/76/1051551576.db2.gz GZEIQZFQUZQOFO-JKSUJKDBSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901106 1051551690 /nfs/dbraw/zinc/55/16/90/1051551690.db2.gz GIQQVHVKWZCQGA-FDQGKXFDSA-N 1 0 302.418 4.011 20 5 DIBDRO CC1(C)CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172901136 1051551698 /nfs/dbraw/zinc/55/16/98/1051551698.db2.gz GZEIQZFQUZQOFO-HZPDHXFCSA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC13CCCCC3)CC2 ZINC001172901740 1051551888 /nfs/dbraw/zinc/55/18/88/1051551888.db2.gz JZZBPKLJSKUALQ-SJLPKXTDSA-N 1 0 314.429 4.155 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC13CCCCC3)CC2 ZINC001172901738 1051552061 /nfs/dbraw/zinc/55/20/61/1051552061.db2.gz JZZBPKLJSKUALQ-AEFFLSMTSA-N 1 0 314.429 4.155 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)CC2 ZINC001172901600 1051552105 /nfs/dbraw/zinc/55/21/05/1051552105.db2.gz OPTAGZGUMWCRDW-CBVHJVASSA-N 1 0 314.429 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C/C=C/c1ccccc1)CC2 ZINC001172900533 1051552178 /nfs/dbraw/zinc/55/21/78/1051552178.db2.gz VDTRGHFOVPETAK-QTWIXLPOSA-N 1 0 322.408 4.145 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(CC3CC3)CC1)CC2 ZINC001172905356 1051554837 /nfs/dbraw/zinc/55/48/37/1051554837.db2.gz JDGFIFGQOVCDSP-QGZVFWFLSA-N 1 0 314.429 4.012 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCCC1(F)F)CC2 ZINC001172913635 1051568198 /nfs/dbraw/zinc/56/81/98/1051568198.db2.gz YBODSXXGMJEAOZ-HOCLYGCPSA-N 1 0 324.371 4.010 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]1c1ccccc1)CC2 ZINC001172922204 1051572526 /nfs/dbraw/zinc/57/25/26/1051572526.db2.gz XGGGUZOUUVWIGS-UYAOXDASSA-N 1 0 322.408 4.289 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H]1c1ccccc1)CC2 ZINC001172922202 1051573041 /nfs/dbraw/zinc/57/30/41/1051573041.db2.gz XGGGUZOUUVWIGS-ICSRJNTNSA-N 1 0 322.408 4.289 20 5 DIBDRO CCC1(CC)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001169301857 1051579966 /nfs/dbraw/zinc/57/99/66/1051579966.db2.gz ZUFHVFVONIGDGT-UHFFFAOYSA-N 1 0 320.433 4.396 20 5 DIBDRO C[C@@H]1CCCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910697 1051580896 /nfs/dbraw/zinc/58/08/96/1051580896.db2.gz OADHMFIUHDTRNR-PBHICJAKSA-N 1 0 302.418 4.107 20 5 DIBDRO CC[C@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911665 1051581155 /nfs/dbraw/zinc/58/11/55/1051581155.db2.gz DSSUQMAUWRJXSY-IRXDYDNUSA-N 1 0 302.418 4.107 20 5 DIBDRO COc1cc(C[NH+]2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001169307467 1051582857 /nfs/dbraw/zinc/58/28/57/1051582857.db2.gz WCQCJMHFKZNPDP-UHFFFAOYSA-N 1 0 324.396 4.001 20 5 DIBDRO Cc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761511280 1051585388 /nfs/dbraw/zinc/58/53/88/1051585388.db2.gz QDZIZEHBVZTPDO-UHFFFAOYSA-N 1 0 304.777 4.189 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000761520651 1051587101 /nfs/dbraw/zinc/58/71/01/1051587101.db2.gz DCYVJKBKOANLGV-HNNXBMFYSA-N 1 0 304.777 4.489 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000761520239 1051587191 /nfs/dbraw/zinc/58/71/91/1051587191.db2.gz NDDFLYPWVRQWPO-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000761520653 1051587793 /nfs/dbraw/zinc/58/77/93/1051587793.db2.gz DCYVJKBKOANLGV-OAHLLOKOSA-N 1 0 304.777 4.489 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\c2ccccc2)cc1Cl ZINC000761531733 1051590090 /nfs/dbraw/zinc/59/00/90/1051590090.db2.gz JPRLWRIQIIJVGV-DAXSKMNVSA-N 1 0 302.761 4.051 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173218371 1051634538 /nfs/dbraw/zinc/63/45/38/1051634538.db2.gz ALRXDFVGPQGLGY-LIRRHRJNSA-N 1 0 310.397 4.111 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2occc2c1 ZINC001173217954 1051635338 /nfs/dbraw/zinc/63/53/38/1051635338.db2.gz NRKYIMPBYJTVPC-ZDUSSCGKSA-N 1 0 310.353 4.062 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1csc(Cl)c1 ZINC001173219831 1051636547 /nfs/dbraw/zinc/63/65/47/1051636547.db2.gz PLRJJRBZKBLPEJ-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001173221290 1051636703 /nfs/dbraw/zinc/63/67/03/1051636703.db2.gz HNEAVKCQLPDFFF-LSDHHAIUSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001173220378 1051636985 /nfs/dbraw/zinc/63/69/85/1051636985.db2.gz ZLVHSGCEDNTHOK-VXGBXAGGSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(C2CC2)c1 ZINC001173221216 1051637310 /nfs/dbraw/zinc/63/73/10/1051637310.db2.gz LOKAEUIYKPJKLD-CQSZACIVSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001173231097 1051638182 /nfs/dbraw/zinc/63/81/82/1051638182.db2.gz XJODRTXPWXWVNR-YJBOKZPZSA-N 1 0 324.424 4.236 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001173228353 1051638352 /nfs/dbraw/zinc/63/83/52/1051638352.db2.gz VECAFMMPCBJTLV-QFBILLFUSA-N 1 0 324.424 4.090 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(Cl)c1 ZINC001173226382 1051638636 /nfs/dbraw/zinc/63/86/36/1051638636.db2.gz JGKGBCPIQRORIG-ZDUSSCGKSA-N 1 0 318.804 4.311 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001173229627 1051638720 /nfs/dbraw/zinc/63/87/20/1051638720.db2.gz OBKXTZLELGYDFT-GDBMZVCRSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001173227198 1051638792 /nfs/dbraw/zinc/63/87/92/1051638792.db2.gz OGKQCOHXMFOICH-XJKSGUPXSA-N 1 0 316.426 4.424 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001173228351 1051639046 /nfs/dbraw/zinc/63/90/46/1051639046.db2.gz VECAFMMPCBJTLV-APWZRJJASA-N 1 0 324.424 4.090 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001173224876 1051639298 /nfs/dbraw/zinc/63/92/98/1051639298.db2.gz HNEAVKCQLPDFFF-HUUCEWRRSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC001173231094 1051639369 /nfs/dbraw/zinc/63/93/69/1051639369.db2.gz XJODRTXPWXWVNR-MAUKXSAKSA-N 1 0 324.424 4.236 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCc2ccccc21 ZINC001173231092 1051639415 /nfs/dbraw/zinc/63/94/15/1051639415.db2.gz XJODRTXPWXWVNR-CRAIPNDOSA-N 1 0 324.424 4.236 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC001173227196 1051639485 /nfs/dbraw/zinc/63/94/85/1051639485.db2.gz OGKQCOHXMFOICH-CJNGLKHVSA-N 1 0 316.426 4.424 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C/C=C/c1ccccc1 ZINC001173233292 1051641815 /nfs/dbraw/zinc/64/18/15/1051641815.db2.gz KLOUNKCVPQUSAI-YXMGTMDOSA-N 1 0 310.397 4.171 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001173213806 1051649844 /nfs/dbraw/zinc/64/98/44/1051649844.db2.gz KOELHTQHPOHPGT-UGSOOPFHSA-N 1 0 316.376 4.406 20 5 DIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220442 1051650938 /nfs/dbraw/zinc/65/09/38/1051650938.db2.gz AHGKOUMMKXQGCV-KUHUBIRLSA-N 1 0 310.397 4.111 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(Cl)c1F ZINC001173214526 1051651772 /nfs/dbraw/zinc/65/17/72/1051651772.db2.gz ONOKMUVQOOBEOL-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001169581264 1051655081 /nfs/dbraw/zinc/65/50/81/1051655081.db2.gz DDFSQYHUQSXNIO-YGRLFVJLSA-N 1 0 316.323 4.234 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001173238604 1051672559 /nfs/dbraw/zinc/67/25/59/1051672559.db2.gz WAJBBTGJOBTJJN-KUHUBIRLSA-N 1 0 310.397 4.145 20 5 DIBDRO Cc1ccsc1CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494162480 1051701059 /nfs/dbraw/zinc/70/10/59/1051701059.db2.gz JWHDRYQQVAZXMJ-UHFFFAOYSA-N 1 0 310.806 4.250 20 5 DIBDRO CCCC1CCC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001169953403 1051737270 /nfs/dbraw/zinc/73/72/70/1051737270.db2.gz QGZCRDAXLPTVFQ-UHFFFAOYSA-N 1 0 320.433 4.264 20 5 DIBDRO Cc1cscc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000494475986 1051900371 /nfs/dbraw/zinc/90/03/71/1051900371.db2.gz NLWWAFKFBXUSGQ-INIZCTEOSA-N 1 0 316.426 4.076 20 5 DIBDRO CCCn1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001174220391 1052057095 /nfs/dbraw/zinc/05/70/95/1052057095.db2.gz UAMPORQWSZAISU-UHFFFAOYSA-N 1 0 317.396 4.320 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@H]1CCCC[NH2+]C1 ZINC001217770098 1052137839 /nfs/dbraw/zinc/13/78/39/1052137839.db2.gz MXFMKMLQCPEKIZ-HNNXBMFYSA-N 1 0 306.409 4.047 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@H]1CC[C@]12CC[NH2+]C2 ZINC001217806037 1052147259 /nfs/dbraw/zinc/14/72/59/1052147259.db2.gz OIENTOFAEJAHDE-LEWJYISDSA-N 1 0 318.420 4.047 20 5 DIBDRO CC1(C)C[NH2+]CC[C@@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217877377 1052161463 /nfs/dbraw/zinc/16/14/63/1052161463.db2.gz KROVRGHRBZMFNC-FQEVSTJZSA-N 1 0 320.436 4.293 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@H]1C[NH2+]CCC12CC2 ZINC001217911624 1052169289 /nfs/dbraw/zinc/16/92/89/1052169289.db2.gz FOCPAEORPQVZNO-FQEVSTJZSA-N 1 0 318.420 4.047 20 5 DIBDRO C[C@@H]1CC[C@@H](OCc2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001217908028 1052169348 /nfs/dbraw/zinc/16/93/48/1052169348.db2.gz HXHAVNZRUYMROK-HUUCEWRRSA-N 1 0 306.409 4.045 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925757 1052172178 /nfs/dbraw/zinc/17/21/78/1052172178.db2.gz VPJVJJDLNUBKJA-MAODMQOUSA-N 1 0 303.405 4.260 20 5 DIBDRO F[C@@H]1C[NH2+]CCC[C@@H]1Oc1c2ccccc2cc2ccccc21 ZINC001217952936 1052176251 /nfs/dbraw/zinc/17/62/51/1052176251.db2.gz YQTGHNAXOQMPAJ-MOPGFXCFSA-N 1 0 309.384 4.462 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4CCC[NH2+]C4)c3c2n1 ZINC001217964972 1052178568 /nfs/dbraw/zinc/17/85/68/1052178568.db2.gz IBPVCUKGLPWRJB-MRXNPFEDSA-N 1 0 306.409 4.136 20 5 DIBDRO F[C@H]1CC[NH2+]CC[C@@H]1Oc1c2ccccc2cc2ccccc21 ZINC001218024107 1052186713 /nfs/dbraw/zinc/18/67/13/1052186713.db2.gz LRAXDVROOHUNIB-OALUTQOASA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000495016136 1052197425 /nfs/dbraw/zinc/19/74/25/1052197425.db2.gz HFQVQOHXONCKJA-STQMWFEESA-N 1 0 312.360 4.461 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC001218135406 1052201325 /nfs/dbraw/zinc/20/13/25/1052201325.db2.gz WBLJPOZEPXDSCC-QDMKHBRRSA-N 1 0 319.404 4.075 20 5 DIBDRO C[NH2+][C@H]1CC[C@H](Oc2cccc3ccc4cccnc4c32)CC1 ZINC001218187159 1052204283 /nfs/dbraw/zinc/20/42/83/1052204283.db2.gz GFYUDQCZTGJMQG-QAQDUYKDSA-N 1 0 306.409 4.297 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4CCC45C[NH2+]C5)c3c2n1 ZINC001218243699 1052211670 /nfs/dbraw/zinc/21/16/70/1052211670.db2.gz GTEKEPMOKMLDFL-GOSISDBHSA-N 1 0 318.420 4.136 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c2ccccc12 ZINC001218251265 1052212507 /nfs/dbraw/zinc/21/25/07/1052212507.db2.gz RYCXHXNOVPJRTH-IQUTYRLHSA-N 1 0 319.404 4.218 20 5 DIBDRO c1ccc2c(c1)nc(OC1CC3(C1)CCC[NH2+]C3)c1ccccc21 ZINC001218252333 1052213346 /nfs/dbraw/zinc/21/33/46/1052213346.db2.gz SOUWOTSLCWLDGP-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2nc3c(cccc3OC3CC4(C3)CCC[NH2+]C4)cc2c1 ZINC001218253857 1052214397 /nfs/dbraw/zinc/21/43/97/1052214397.db2.gz NNMVNIFZYWYMKL-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000495156123 1052238789 /nfs/dbraw/zinc/23/87/89/1052238789.db2.gz LIKGNSRJJVUTTM-LJQANCHMSA-N 1 0 310.397 4.495 20 5 DIBDRO c1ccc2cc3cc(O[C@@H]4CC[C@H]5C[NH2+]C[C@@H]54)ccc3cc2c1 ZINC001218467469 1052242733 /nfs/dbraw/zinc/24/27/33/1052242733.db2.gz PCLPEMQZISCFHO-DZFGPLHGSA-N 1 0 303.405 4.370 20 5 DIBDRO CC1(C)C[C@H](Oc2nccc3c4ccccc4ccc32)CC[NH2+]1 ZINC001218475283 1052244756 /nfs/dbraw/zinc/24/47/56/1052244756.db2.gz DGKPRVBGVUUEPC-OAHLLOKOSA-N 1 0 306.409 4.297 20 5 DIBDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000487877787 1052282357 /nfs/dbraw/zinc/28/23/57/1052282357.db2.gz VKCQNIKIDBDHKE-CQSZACIVSA-N 1 0 314.385 4.187 20 5 DIBDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237903462 1052447694 /nfs/dbraw/zinc/44/76/94/1052447694.db2.gz AVTIAIPLBONNKD-MRXNPFEDSA-N 1 0 314.385 4.300 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000193900915 1052510606 /nfs/dbraw/zinc/51/06/06/1052510606.db2.gz ZHSOPGIUEYCQEK-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001223186208 1052577055 /nfs/dbraw/zinc/57/70/55/1052577055.db2.gz PPJOMRGLCBITMQ-CQSZACIVSA-N 1 0 320.403 4.166 20 5 DIBDRO CC[NH+]1CCC(OCc2c3ccccc3nc3ccccc32)CC1 ZINC001223336732 1052589768 /nfs/dbraw/zinc/58/97/68/1052589768.db2.gz RXYUCBCYGKKGTR-UHFFFAOYSA-N 1 0 320.436 4.389 20 5 DIBDRO CC[N@@H+]1CCC[C@@H](OCc2c3ccccc3nc3ccccc32)C1 ZINC001223334096 1052590130 /nfs/dbraw/zinc/59/01/30/1052590130.db2.gz GZIQZNQPVUUZCN-MRXNPFEDSA-N 1 0 320.436 4.389 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000488087394 1052595210 /nfs/dbraw/zinc/59/52/10/1052595210.db2.gz KBAXIVSWSYUDOG-AWEZNQCLSA-N 1 0 324.380 4.151 20 5 DIBDRO C[C@@H](OC1CC(C)(C)[NH+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224022876 1052661638 /nfs/dbraw/zinc/66/16/38/1052661638.db2.gz DYFHBGOQAPWUIZ-CYBMUJFWSA-N 1 0 320.433 4.324 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(CCc2ccccc2)cc1 ZINC001224096687 1052667987 /nfs/dbraw/zinc/66/79/87/1052667987.db2.gz JGIHVESBXVKHQB-GOSISDBHSA-N 1 0 312.477 4.083 20 5 DIBDRO CC(C)[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917037817 1052681414 /nfs/dbraw/zinc/68/14/14/1052681414.db2.gz KTWJVVRGJXMFJG-UHFFFAOYSA-N 1 0 302.349 4.145 20 5 DIBDRO Cc1c(C[NH2+]CCCn2ccc3ccccc32)cccc1[N+](=O)[O-] ZINC000917134157 1052708918 /nfs/dbraw/zinc/70/89/18/1052708918.db2.gz KSODTRGCSFZTTO-UHFFFAOYSA-N 1 0 323.396 4.038 20 5 DIBDRO C[N+](C)(C)CCO[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001224772424 1052724242 /nfs/dbraw/zinc/72/42/42/1052724242.db2.gz ZYELPBXDLALWNU-SFHVURJKSA-N 1 0 304.841 4.152 20 5 DIBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000556202136 1052819709 /nfs/dbraw/zinc/81/97/09/1052819709.db2.gz HSUGKACIURQHSZ-SRCQZFHVSA-N 1 0 314.360 4.331 20 5 DIBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609288227 1052840074 /nfs/dbraw/zinc/84/00/74/1052840074.db2.gz DUIMTVTZUVWBDX-LSDHHAIUSA-N 1 0 306.406 4.052 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001226762948 1052928556 /nfs/dbraw/zinc/92/85/56/1052928556.db2.gz YXJQHFSXGGKQBO-IMRBUKKESA-N 1 0 324.808 4.031 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000609541309 1052982016 /nfs/dbraw/zinc/98/20/16/1052982016.db2.gz FVFHBMSHYVWENF-OAHLLOKOSA-N 1 0 316.788 4.238 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000609541524 1052982120 /nfs/dbraw/zinc/98/21/20/1052982120.db2.gz ZKTXSMDYUSGCOR-HNNXBMFYSA-N 1 0 316.788 4.238 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000195582091 1052982638 /nfs/dbraw/zinc/98/26/38/1052982638.db2.gz RGUBRXSTEQYURH-CYBMUJFWSA-N 1 0 310.353 4.234 20 5 DIBDRO CC[N@H+](CCc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705239 1052988543 /nfs/dbraw/zinc/98/85/43/1052988543.db2.gz KLYMBDYDCKHUDQ-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)cc(C(C)(C)C)cc1C(C)(C)C ZINC001227489235 1052995259 /nfs/dbraw/zinc/99/52/59/1052995259.db2.gz CVNPGWZAAZAMOC-AWEZNQCLSA-O 1 0 322.513 4.461 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000195651105 1052999921 /nfs/dbraw/zinc/99/99/21/1052999921.db2.gz WGRBUPQPIRURLM-LBPRGKRZSA-N 1 0 320.414 4.003 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1F ZINC000179631966 1053018770 /nfs/dbraw/zinc/01/87/70/1053018770.db2.gz BWZGQXMKGJVMDN-MRXNPFEDSA-N 1 0 320.339 4.422 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179795361 1053028059 /nfs/dbraw/zinc/02/80/59/1053028059.db2.gz YLMWIVIDSYBISA-MRXNPFEDSA-N 1 0 320.339 4.422 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000615835250 1053033202 /nfs/dbraw/zinc/03/32/02/1053033202.db2.gz DAZWHKZBTANSQF-DNXIFWLFSA-N 1 0 312.369 4.081 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000615835252 1053033396 /nfs/dbraw/zinc/03/33/96/1053033396.db2.gz DAZWHKZBTANSQF-SCOADAFUSA-N 1 0 312.369 4.081 20 5 DIBDRO C[N@@H+]1CCC[C@@H](Oc2cccc3cc4ccccc4nc32)CC1 ZINC001228176736 1053050371 /nfs/dbraw/zinc/05/03/71/1053050371.db2.gz QPBROQNUPYYWSU-QGZVFWFLSA-N 1 0 306.409 4.251 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC001228199266 1053052492 /nfs/dbraw/zinc/05/24/92/1053052492.db2.gz GWJAZFIQYCNHNF-KRWDZBQOSA-N 1 0 312.477 4.486 20 5 DIBDRO CC[C@@H](Cc1cccs1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000616357516 1053054123 /nfs/dbraw/zinc/05/41/23/1053054123.db2.gz SZBJLCJWHOZMSK-AWEZNQCLSA-N 1 0 304.415 4.076 20 5 DIBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228519431 1053124632 /nfs/dbraw/zinc/12/46/32/1053124632.db2.gz OGDMWDKTJMZYLT-OAHLLOKOSA-N 1 0 321.424 4.035 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC(F)(F)CC1 ZINC000847087958 1053240260 /nfs/dbraw/zinc/24/02/60/1053240260.db2.gz WHFFDEBHICFDTP-SNVBAGLBSA-N 1 0 316.323 4.038 20 5 DIBDRO Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000069878397 1053315913 /nfs/dbraw/zinc/31/59/13/1053315913.db2.gz VBTHYHDUKULOEG-UHFFFAOYSA-N 1 0 316.788 4.336 20 5 DIBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571381 1053325555 /nfs/dbraw/zinc/32/55/55/1053325555.db2.gz HEQSBXAURNXGSZ-ACJLOTCBSA-N 1 0 311.385 4.026 20 5 DIBDRO Cc1cc([N+](=O)[O-])c(OC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1F ZINC001229895563 1053426915 /nfs/dbraw/zinc/42/69/15/1053426915.db2.gz RBMANSKTRJNSSD-UHFFFAOYSA-N 1 0 324.396 4.073 20 5 DIBDRO CC[NH+]1CCC(Oc2nccc3c4ccccc4ccc32)CC1 ZINC001230203336 1053491570 /nfs/dbraw/zinc/49/15/70/1053491570.db2.gz LSAALMCRDKYJSK-UHFFFAOYSA-N 1 0 306.409 4.251 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000619754071 1053548236 /nfs/dbraw/zinc/54/82/36/1053548236.db2.gz AFYMMOMQIKIMCS-RYUDHWBXSA-N 1 0 320.414 4.467 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000619754069 1053548310 /nfs/dbraw/zinc/54/83/10/1053548310.db2.gz AFYMMOMQIKIMCS-NEPJUHHUSA-N 1 0 320.414 4.467 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619754174 1053548677 /nfs/dbraw/zinc/54/86/77/1053548677.db2.gz LUKXPAZBTFQZCU-BDJLRTHQSA-N 1 0 302.399 4.385 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000152919077 1053549925 /nfs/dbraw/zinc/54/99/25/1053549925.db2.gz LKSHDTQFKYDKDT-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO c1ccc2cc3cc(O[C@@H]4C[NH+]5CCC4CC5)ccc3cc2c1 ZINC001231096581 1053675618 /nfs/dbraw/zinc/67/56/18/1053675618.db2.gz DDHGHOXRCHGCHK-OAQYLSRUSA-N 1 0 303.405 4.466 20 5 DIBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232225623 1053995921 /nfs/dbraw/zinc/99/59/21/1053995921.db2.gz NQUPOPRVDKYUAU-GOSISDBHSA-N 1 0 305.425 4.403 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@@H](C)C1 ZINC001232221735 1053996044 /nfs/dbraw/zinc/99/60/44/1053996044.db2.gz DKJYEZFQCXJBQO-GJZGRUSLSA-N 1 0 305.425 4.403 20 5 DIBDRO C[N@H+](Cc1cccs1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221867 1053996334 /nfs/dbraw/zinc/99/63/34/1053996334.db2.gz LPCDJMPARCXRJT-UHFFFAOYSA-N 1 0 319.433 4.477 20 5 DIBDRO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C[C@@H]1CC1(C)C ZINC001232221936 1053996454 /nfs/dbraw/zinc/99/64/54/1053996454.db2.gz GRYLSMXURQCNBF-INIZCTEOSA-N 1 0 305.425 4.261 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C/C=C/c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001200810692 1053997285 /nfs/dbraw/zinc/99/72/85/1053997285.db2.gz AAMYRGILJFACSN-RDFMZFSFSA-N 1 0 314.360 4.406 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C/C=C/c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001200810695 1053998660 /nfs/dbraw/zinc/99/86/60/1053998660.db2.gz AAMYRGILJFACSN-XGACYXMMSA-N 1 0 314.360 4.406 20 5 DIBDRO CC(C)C(C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001200855037 1054042734 /nfs/dbraw/zinc/04/27/34/1054042734.db2.gz VCYSSLDJZSUXJZ-UHFFFAOYSA-N 1 0 306.450 4.435 20 5 DIBDRO CO[C@@H]1CC[N@H+](CCOc2c3ccccc3cc3ccccc32)C1 ZINC001233661478 1054325932 /nfs/dbraw/zinc/32/59/32/1054325932.db2.gz DNCZJJURBBRTPB-GOSISDBHSA-N 1 0 321.420 4.093 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(-c2ccc(Cl)cc2)c1 ZINC001233919031 1054388606 /nfs/dbraw/zinc/38/86/06/1054388606.db2.gz IIORMAPTYSRJQM-AWEZNQCLSA-N 1 0 304.841 4.481 20 5 DIBDRO C[NH+](C)C1CCC(Oc2ccnc3c2ccc2cccnc23)CC1 ZINC001234088893 1054432199 /nfs/dbraw/zinc/43/21/99/1054432199.db2.gz ZHGJVOXOEPQTRC-UHFFFAOYSA-N 1 0 321.424 4.035 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1ccccc1 ZINC001234328617 1054503138 /nfs/dbraw/zinc/50/31/38/1054503138.db2.gz OIAJGFYFCWZBEM-AWEZNQCLSA-N 1 0 304.841 4.481 20 5 DIBDRO c1cc2ccc3ccc(CN4C[C@H]5C[C@@H](C4)[NH2+]5)c4ccc(c1)c2c34 ZINC001235414316 1054716649 /nfs/dbraw/zinc/71/66/49/1054716649.db2.gz HTGDSWNJJXRCMY-KDURUIRLSA-N 1 0 312.416 4.130 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2CCC1CC2 ZINC001474595135 1054835443 /nfs/dbraw/zinc/83/54/43/1054835443.db2.gz PTCCPMMPGZHYMK-IDMDMSBLSA-N 1 0 316.445 4.332 20 5 DIBDRO C[NH2+][C@H]1CCN1Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001236165881 1054977300 /nfs/dbraw/zinc/97/73/00/1054977300.db2.gz AWZJKXNGOZBZLR-HXUWFJFHSA-N 1 0 316.404 4.442 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000765435957 1055389586 /nfs/dbraw/zinc/38/95/86/1055389586.db2.gz DZFFYTIRIRSDGX-UKRRQHHQSA-N 1 0 314.385 4.021 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000765440908 1055393227 /nfs/dbraw/zinc/39/32/27/1055393227.db2.gz VCPBOOYOXZALDG-KBXCAEBGSA-N 1 0 314.385 4.103 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(F)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001620863416 1055492643 /nfs/dbraw/zinc/49/26/43/1055492643.db2.gz OUZOJRMSGYOKSV-QGZVFWFLSA-N 1 0 302.349 4.283 20 5 DIBDRO COC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCCCC1 ZINC001620907547 1055531615 /nfs/dbraw/zinc/53/16/15/1055531615.db2.gz SMITXNYPDDSYOK-UHFFFAOYSA-N 1 0 320.433 4.157 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC001620917057 1055539909 /nfs/dbraw/zinc/53/99/09/1055539909.db2.gz PDLMQNZLOVNWTM-CYBMUJFWSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001620960990 1055616795 /nfs/dbraw/zinc/61/67/95/1055616795.db2.gz LSKSGDDARUGPFN-JTQLQIEISA-N 1 0 316.348 4.111 20 5 DIBDRO CC(C)[C@@H]1CCCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001168580327 1055764437 /nfs/dbraw/zinc/76/44/37/1055764437.db2.gz OBQOXWMTWQPQDT-INIZCTEOSA-N 1 0 312.360 4.274 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC001620569890 1055966478 /nfs/dbraw/zinc/96/64/78/1055966478.db2.gz RUBPAHQVTRYONZ-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC001620569893 1055968333 /nfs/dbraw/zinc/96/83/33/1055968333.db2.gz RUBPAHQVTRYONZ-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)CC(F)(F)F ZINC001621015605 1055981329 /nfs/dbraw/zinc/98/13/29/1055981329.db2.gz DPWFTCYBYAJDDP-UHFFFAOYSA-N 1 0 318.339 4.280 20 5 DIBDRO CSCC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001620805069 1056000736 /nfs/dbraw/zinc/00/07/36/1056000736.db2.gz IFXNXFBCHXAFSI-LBPRGKRZSA-N 1 0 320.414 4.086 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccncc1 ZINC001620810085 1056003890 /nfs/dbraw/zinc/00/38/90/1056003890.db2.gz CIIDFZLZHNECPO-QGZVFWFLSA-N 1 0 313.401 4.354 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCc1cccc(F)c1 ZINC001649111995 1056025819 /nfs/dbraw/zinc/02/58/19/1056025819.db2.gz IVPLDGPWQCDGIY-UHFFFAOYSA-N 1 0 316.376 4.073 20 5 DIBDRO C[C@@H]([NH2+]CCCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC001168605498 1056055823 /nfs/dbraw/zinc/05/58/23/1056055823.db2.gz XPNBEJQSHKKNOJ-GFCCVEGCSA-N 1 0 320.339 4.156 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001611755221 1056185585 /nfs/dbraw/zinc/18/55/85/1056185585.db2.gz YLKLYHSMOZQBIP-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO C[C@@H]([NH2+]C(C)(C)CNc1ccsc1[N+](=O)[O-])c1ccccc1 ZINC001611936507 1056210474 /nfs/dbraw/zinc/21/04/74/1056210474.db2.gz DIKLELAQMJPXNO-GFCCVEGCSA-N 1 0 319.430 4.198 20 5 DIBDRO Cc1ccc(NC2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001612070143 1056233372 /nfs/dbraw/zinc/23/33/72/1056233372.db2.gz QROKKICGRFJXDN-UHFFFAOYSA-N 1 0 317.433 4.112 20 5 DIBDRO O=[N+]([O-])c1ccccc1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001612301317 1056270126 /nfs/dbraw/zinc/27/01/26/1056270126.db2.gz VXHCMUNZDDXOTP-UHFFFAOYSA-N 1 0 317.433 4.053 20 5 DIBDRO CC(C)C(C)(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000553771931 1056290227 /nfs/dbraw/zinc/29/02/27/1056290227.db2.gz SSGLVGBADQQOOK-UHFFFAOYSA-N 1 0 319.430 4.243 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC001615195747 1056473621 /nfs/dbraw/zinc/47/36/21/1056473621.db2.gz VICWBYGBTGYLNJ-LJQANCHMSA-N 1 0 324.424 4.235 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CCCCC1)C1CC1 ZINC001615215393 1056478208 /nfs/dbraw/zinc/47/82/08/1056478208.db2.gz SWTQTVYHIBOJKA-UHFFFAOYSA-N 1 0 318.417 4.148 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001615290146 1056486536 /nfs/dbraw/zinc/48/65/36/1056486536.db2.gz BVHHCHADTCWAFV-DOTOQJQBSA-N 1 0 310.397 4.454 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC001615500156 1056524305 /nfs/dbraw/zinc/52/43/05/1056524305.db2.gz DXNOYOOSCPCTOO-SFHVURJKSA-N 1 0 300.402 4.226 20 5 DIBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC001615648161 1056552595 /nfs/dbraw/zinc/55/25/95/1056552595.db2.gz DYYVBYBOWWNNER-CXAGYDPISA-N 1 0 314.385 4.469 20 5 DIBDRO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001615846946 1056586470 /nfs/dbraw/zinc/58/64/70/1056586470.db2.gz SKGXUTIKSXJPCD-CQSZACIVSA-N 1 0 322.408 4.203 20 5 DIBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001616309672 1056631027 /nfs/dbraw/zinc/63/10/27/1056631027.db2.gz STOCCDHBANMKHD-LBPRGKRZSA-N 1 0 312.360 4.274 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC001617291010 1056808236 /nfs/dbraw/zinc/80/82/36/1056808236.db2.gz GCMXTBMVLQVWOE-UHFFFAOYSA-N 1 0 308.809 4.404 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001617766499 1056879073 /nfs/dbraw/zinc/87/90/73/1056879073.db2.gz SSUDQWWRSHDFMS-NSHGMRRFSA-N 1 0 322.408 4.363 20 5 DIBDRO c1ccc2c(c1)cc(-c1ncc3c(n1)CC[NH2+]C3)c1ccccc21 ZINC001241133048 1056915636 /nfs/dbraw/zinc/91/56/36/1056915636.db2.gz SZJRIRQQXAAVSB-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC001618114138 1056924021 /nfs/dbraw/zinc/92/40/21/1056924021.db2.gz IGIVLFWQVARRJB-MRXNPFEDSA-N 1 0 306.381 4.327 20 5 DIBDRO CCCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001618189914 1056931250 /nfs/dbraw/zinc/93/12/50/1056931250.db2.gz DKGSAGZSCWRQNP-SFHVURJKSA-N 1 0 320.433 4.063 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000316714869 1056989304 /nfs/dbraw/zinc/98/93/04/1056989304.db2.gz DRJBHUJYTZWFMS-QGZVFWFLSA-N 1 0 316.788 4.068 20 5 DIBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091937354 1057024007 /nfs/dbraw/zinc/02/40/07/1057024007.db2.gz ZPMOETIHIRGOAH-TXEJJXNPSA-N 1 0 317.414 4.091 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2-c1nccc(C2C[NH2+]C2)n1 ZINC001241380260 1057031344 /nfs/dbraw/zinc/03/13/44/1057031344.db2.gz LQBOOLQHWYRJAD-UHFFFAOYSA-N 1 0 311.388 4.137 20 5 DIBDRO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccc([N+](=O)[O-])cc1 ZINC000922543272 1057031861 /nfs/dbraw/zinc/03/18/61/1057031861.db2.gz PIBLOLAWXIRUQT-LLVKDONJSA-N 1 0 319.430 4.200 20 5 DIBDRO Cc1ccc(C2CC([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000391193128 1057055770 /nfs/dbraw/zinc/05/57/70/1057055770.db2.gz MRKDKQGBKZBOSF-UHFFFAOYSA-N 1 0 310.397 4.247 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922845012 1057068990 /nfs/dbraw/zinc/06/89/90/1057068990.db2.gz KADQCUYLASUFKT-YFCVBGDOSA-N 1 0 318.442 4.016 20 5 DIBDRO CCOc1ccccc1CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000096956085 1057095275 /nfs/dbraw/zinc/09/52/75/1057095275.db2.gz VRWMQODRIDGODI-AWEZNQCLSA-N 1 0 314.385 4.187 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccoc2)s1 ZINC000171050709 1057173849 /nfs/dbraw/zinc/17/38/49/1057173849.db2.gz OFOCALSTHOALAM-UHFFFAOYSA-N 1 0 314.366 4.206 20 5 DIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC34CCCCC4)nc2c1 ZINC000611153764 1057584675 /nfs/dbraw/zinc/58/46/75/1057584675.db2.gz NJAKNYOXXPSRTL-UHFFFAOYSA-N 1 0 315.373 4.035 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)o1 ZINC000611268538 1057587568 /nfs/dbraw/zinc/58/75/68/1057587568.db2.gz JFDHQKBLBFIHFU-MRXNPFEDSA-N 1 0 312.369 4.229 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000611337282 1057591565 /nfs/dbraw/zinc/59/15/65/1057591565.db2.gz UQEFHCDRZWTBMU-LXZKKBNFSA-N 1 0 302.418 4.084 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000611336818 1057591823 /nfs/dbraw/zinc/59/18/23/1057591823.db2.gz MIKLXFHYFASJDL-YOEHRIQHSA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000611515755 1057605313 /nfs/dbraw/zinc/60/53/13/1057605313.db2.gz UMFBPSGZSVHRHL-KBPBESRZSA-N 1 0 300.358 4.047 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000611515757 1057605405 /nfs/dbraw/zinc/60/54/05/1057605405.db2.gz UMFBPSGZSVHRHL-UONOGXRCSA-N 1 0 300.358 4.047 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000732214488 1057770492 /nfs/dbraw/zinc/77/04/92/1057770492.db2.gz HGAVMZJEZKRHSC-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO Cc1c(C[N@H+](C)CCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000733312157 1057812334 /nfs/dbraw/zinc/81/23/34/1057812334.db2.gz ANZMADVUEOLGRE-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO Cc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001559071329 1058964348 /nfs/dbraw/zinc/96/43/48/1058964348.db2.gz MQBLUWMFPRCPQT-AWEZNQCLSA-N 1 0 323.412 4.109 20 5 DIBDRO Cc1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC001559177770 1059060246 /nfs/dbraw/zinc/06/02/46/1059060246.db2.gz KJBLQTOLVADNEO-QGZVFWFLSA-N 1 0 317.433 4.112 20 5 DIBDRO C[C@H]1C[C@H](N(C)Cc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001246863836 1059137687 /nfs/dbraw/zinc/13/76/87/1059137687.db2.gz ZYVUZUICFPOIMZ-YJBOKZPZSA-N 1 0 304.437 4.175 20 5 DIBDRO CC(C)(C)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001559541385 1059345072 /nfs/dbraw/zinc/34/50/72/1059345072.db2.gz OVBNHANWBRYZJJ-MRXNPFEDSA-N 1 0 304.434 4.286 20 5 DIBDRO CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001559583972 1059414151 /nfs/dbraw/zinc/41/41/51/1059414151.db2.gz XCIQULUHJPFXJD-AWEZNQCLSA-N 1 0 306.406 4.004 20 5 DIBDRO COc1ccc(C[NH+]2CCC(CCC(C)C)CC2)cc1[N+](=O)[O-] ZINC001559601918 1059435048 /nfs/dbraw/zinc/43/50/48/1059435048.db2.gz TXKJDAPHLLDWPT-UHFFFAOYSA-N 1 0 320.433 4.252 20 5 DIBDRO C[NH+](C)CCc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247446698 1059484807 /nfs/dbraw/zinc/48/48/07/1059484807.db2.gz QYTZRZRVTCTZDH-UHFFFAOYSA-N 1 0 317.392 4.147 20 5 DIBDRO C[NH2+][C@H](C)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247489611 1059497222 /nfs/dbraw/zinc/49/72/22/1059497222.db2.gz FEXOOGHJNIWAJM-GFCCVEGCSA-N 1 0 303.365 4.323 20 5 DIBDRO CCC1(CC)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC001559729507 1059563775 /nfs/dbraw/zinc/56/37/75/1059563775.db2.gz ZMNAJAGHPCJLHN-ZDUSSCGKSA-N 1 0 308.447 4.263 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCC[C@@H]1C ZINC001559751334 1059582133 /nfs/dbraw/zinc/58/21/33/1059582133.db2.gz COBOAKYDYIRKSF-BBRMVZONSA-N 1 0 306.406 4.004 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC001559849297 1059677728 /nfs/dbraw/zinc/67/77/28/1059677728.db2.gz QJCFEGSWPRSKLB-KRWDZBQOSA-N 1 0 302.418 4.355 20 5 DIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC001559970307 1059777737 /nfs/dbraw/zinc/77/77/37/1059777737.db2.gz LTYXVHMLHMZYTQ-GOSISDBHSA-N 1 0 318.417 4.018 20 5 DIBDRO COc1ccc(Nc2cc[nH+]c(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC001248466422 1059846800 /nfs/dbraw/zinc/84/68/00/1059846800.db2.gz RUCPQRBKHQMACV-UHFFFAOYSA-N 1 0 301.346 4.040 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC001560132626 1059935995 /nfs/dbraw/zinc/93/59/95/1059935995.db2.gz BKHAYIQFDOVVOK-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1nonc1CN(C)Cc1c2ccccc2cc2ccccc21 ZINC001248859600 1060022117 /nfs/dbraw/zinc/02/21/17/1060022117.db2.gz HSDGMYYIELXPGS-UHFFFAOYSA-N 1 0 317.392 4.316 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC001560357839 1060146355 /nfs/dbraw/zinc/14/63/55/1060146355.db2.gz YUEIGIRPHCGRLY-LBPRGKRZSA-N 1 0 319.792 4.111 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC001560359201 1060146649 /nfs/dbraw/zinc/14/66/49/1060146649.db2.gz FEKGEMHQJCCZNQ-IRXDYDNUSA-N 1 0 318.417 4.052 20 5 DIBDRO CC[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001560400629 1060185791 /nfs/dbraw/zinc/18/57/91/1060185791.db2.gz UEOMKYTXJJQWOV-SHCNBLLESA-N 1 0 314.360 4.488 20 5 DIBDRO CC[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001560400628 1060185899 /nfs/dbraw/zinc/18/58/99/1060185899.db2.gz UEOMKYTXJJQWOV-PYTPGESOSA-N 1 0 314.360 4.488 20 5 DIBDRO CCc1cccc2cc(C[NH2+]CCc3ccccc3[N+](=O)[O-])oc21 ZINC001560458673 1060251053 /nfs/dbraw/zinc/25/10/53/1060251053.db2.gz XLUZBXPWGMYSDG-UHFFFAOYSA-N 1 0 324.380 4.236 20 5 DIBDRO CC(C)(c1ccccc1)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001560472873 1060263330 /nfs/dbraw/zinc/26/33/30/1060263330.db2.gz RNMMKJIFNHUIOQ-UHFFFAOYSA-N 1 0 310.397 4.195 20 5 DIBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001560500144 1060292920 /nfs/dbraw/zinc/29/29/20/1060292920.db2.gz DVFASYQSXVWQMN-RHSMWYFYSA-N 1 0 314.385 4.379 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC001560503515 1060298722 /nfs/dbraw/zinc/29/87/22/1060298722.db2.gz OYDYOZBASSEBMP-CVEARBPZSA-N 1 0 302.418 4.128 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)o1 ZINC001560516053 1060315441 /nfs/dbraw/zinc/31/54/41/1060315441.db2.gz RIPKVEKLIQJTDV-CHWSQXEVSA-N 1 0 318.348 4.225 20 5 DIBDRO Cc1ccc(C[NH2+]CC(C2CCC2)C2CCC2)cc1[N+](=O)[O-] ZINC001560543023 1060348858 /nfs/dbraw/zinc/34/88/58/1060348858.db2.gz ARBKUBWMRHPYTF-UHFFFAOYSA-N 1 0 302.418 4.209 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC001560547939 1060356889 /nfs/dbraw/zinc/35/68/89/1060356889.db2.gz WLGQGMDGJIZWAL-AWEZNQCLSA-N 1 0 308.447 4.094 20 5 DIBDRO COc1ccc(C[NH2+][C@]2(C)C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC001560578554 1060392733 /nfs/dbraw/zinc/39/27/33/1060392733.db2.gz XORBYECUOXWSJO-FZKQIMNGSA-N 1 0 320.433 4.298 20 5 DIBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001560591945 1060404966 /nfs/dbraw/zinc/40/49/66/1060404966.db2.gz SERGDKYFYIGXEO-STQMWFEESA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001560604491 1060416836 /nfs/dbraw/zinc/41/68/36/1060416836.db2.gz ZPATWQIBOLSHKO-CYBMUJFWSA-N 1 0 318.804 4.450 20 5 DIBDRO C[C@H](C[NH2+]Cc1cscc1Cl)c1ccccc1[N+](=O)[O-] ZINC001560604365 1060417167 /nfs/dbraw/zinc/41/71/67/1060417167.db2.gz URQMMHIRKNSSBW-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(C)cccc2C1 ZINC001560684580 1060531126 /nfs/dbraw/zinc/53/11/26/1060531126.db2.gz ROLWLOAZFBDXHY-PTNGSMBKSA-N 1 0 322.408 4.365 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC001560711671 1060567189 /nfs/dbraw/zinc/56/71/89/1060567189.db2.gz QFAUNGPOOIBOFA-HNNXBMFYSA-N 1 0 310.825 4.349 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001560754302 1060621253 /nfs/dbraw/zinc/62/12/53/1060621253.db2.gz FTLWUJIZVJWRQR-ZDUSSCGKSA-N 1 0 316.376 4.153 20 5 DIBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001560776478 1060641045 /nfs/dbraw/zinc/64/10/45/1060641045.db2.gz KYGDRUAAHSJEMA-GXFFZTMASA-N 1 0 316.323 4.234 20 5 DIBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC001560786728 1060649516 /nfs/dbraw/zinc/64/95/16/1060649516.db2.gz AHQPTOOOVDFKKU-FRRDWIJNSA-N 1 0 310.825 4.410 20 5 DIBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC001560786727 1060649603 /nfs/dbraw/zinc/64/96/03/1060649603.db2.gz AHQPTOOOVDFKKU-AGIUHOORSA-N 1 0 310.825 4.410 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)cc1 ZINC001560860640 1060718087 /nfs/dbraw/zinc/71/80/87/1060718087.db2.gz TXXMDNKYLUMBSO-LJQANCHMSA-N 1 0 322.408 4.365 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001560988216 1060851634 /nfs/dbraw/zinc/85/16/34/1060851634.db2.gz NEJTVMPQTBHQCJ-QSPRXWTASA-N 1 0 302.418 4.084 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1F ZINC001561019253 1060877179 /nfs/dbraw/zinc/87/71/79/1060877179.db2.gz WRWUBVNTHCSZKP-CQSZACIVSA-N 1 0 316.376 4.153 20 5 DIBDRO C[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001561027157 1060882022 /nfs/dbraw/zinc/88/20/22/1060882022.db2.gz XCBVHOVTHPPNSY-WWGRRREGSA-N 1 0 322.474 4.208 20 5 DIBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC001462169748 1060988937 /nfs/dbraw/zinc/98/89/37/1060988937.db2.gz AXKOGKDXFPBQFD-UPJWGTAASA-N 1 0 310.825 4.410 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC001473229543 1061010373 /nfs/dbraw/zinc/01/03/73/1061010373.db2.gz ANCYWTJFJDJUPM-QUCCMNQESA-N 1 0 322.408 4.496 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC001473273203 1061044961 /nfs/dbraw/zinc/04/49/61/1061044961.db2.gz MFQLURHWVXTKDH-LSDHHAIUSA-N 1 0 308.397 4.428 20 5 DIBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC001473273201 1061045770 /nfs/dbraw/zinc/04/57/70/1061045770.db2.gz MFQLURHWVXTKDH-GJZGRUSLSA-N 1 0 308.397 4.428 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001462250756 1061053150 /nfs/dbraw/zinc/05/31/50/1061053150.db2.gz XVEAUZZVLYAXQP-VGMKDCDPSA-N 1 0 300.402 4.120 20 5 DIBDRO C=Cc1ccc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC001462267350 1061062755 /nfs/dbraw/zinc/06/27/55/1061062755.db2.gz RDSKKXCGYQONSB-MRXNPFEDSA-N 1 0 324.424 4.391 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@H]1C(C)C ZINC001462288605 1061081767 /nfs/dbraw/zinc/08/17/67/1061081767.db2.gz ARGYFWHZDSIBFN-RKCSUWQLSA-N 1 0 302.418 4.365 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC001473316931 1061083238 /nfs/dbraw/zinc/08/32/38/1061083238.db2.gz ZCKAATIYEBCVFG-AWEZNQCLSA-N 1 0 316.376 4.326 20 5 DIBDRO CCc1ccc(C2=CC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001473336218 1061097102 /nfs/dbraw/zinc/09/71/02/1061097102.db2.gz FMZGXFXUYNMYOO-UHFFFAOYSA-N 1 0 322.408 4.447 20 5 DIBDRO CC(C)[C@@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCCC2 ZINC001462335913 1061112549 /nfs/dbraw/zinc/11/25/49/1061112549.db2.gz VGYOBIZDONJFGO-KRWDZBQOSA-N 1 0 302.418 4.038 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001462337369 1061115647 /nfs/dbraw/zinc/11/56/47/1061115647.db2.gz BXJWUJQCIAUKRS-IDKBZEPQSA-N 1 0 300.402 4.120 20 5 DIBDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001473415816 1061148852 /nfs/dbraw/zinc/14/88/52/1061148852.db2.gz CXVFBFRNUGTADH-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO CCCC1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001473444392 1061161128 /nfs/dbraw/zinc/16/11/28/1061161128.db2.gz SKHNJDDKMYVCCA-UHFFFAOYSA-N 1 0 320.433 4.264 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001473464672 1061173966 /nfs/dbraw/zinc/17/39/66/1061173966.db2.gz LYKOXXBQJCDZEY-OAHLLOKOSA-N 1 0 308.381 4.445 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC001473462484 1061174955 /nfs/dbraw/zinc/17/49/55/1061174955.db2.gz KIGKNUXXBPUYOY-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO Cc1cc(C)cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001462451963 1061181119 /nfs/dbraw/zinc/18/11/19/1061181119.db2.gz JNWDNCWVZGBBLQ-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO CCc1ccc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001473509513 1061204514 /nfs/dbraw/zinc/20/45/14/1061204514.db2.gz ORWCBTSYTVMYDM-GOSISDBHSA-N 1 0 310.397 4.147 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@]12C[C@H]1CCCC2 ZINC001462501528 1061214825 /nfs/dbraw/zinc/21/48/25/1061214825.db2.gz CMAAYSZUBHRTAN-GHJWDPDVSA-N 1 0 308.809 4.307 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC001473554494 1061241566 /nfs/dbraw/zinc/24/15/66/1061241566.db2.gz HQHIUEUSCDYYFE-ZDUSSCGKSA-N 1 0 306.406 4.002 20 5 DIBDRO Cc1ccc2c(c1)C[N@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC001473624275 1061298423 /nfs/dbraw/zinc/29/84/23/1061298423.db2.gz RXZDJFKBJJZWGP-OAHLLOKOSA-N 1 0 310.397 4.331 20 5 DIBDRO Cc1ccc([C@H](C)C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001462624125 1061304791 /nfs/dbraw/zinc/30/47/91/1061304791.db2.gz DDUKQRQAAAJMOU-HZPDHXFCSA-N 1 0 312.413 4.400 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC=CCCC1 ZINC001462656164 1061322233 /nfs/dbraw/zinc/32/22/33/1061322233.db2.gz GBQUOZCIHAPKRG-CYBMUJFWSA-N 1 0 308.809 4.474 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC001473662412 1061324333 /nfs/dbraw/zinc/32/43/33/1061324333.db2.gz BJENOMTYVRFKOT-INIZCTEOSA-N 1 0 306.381 4.279 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740236 1061382578 /nfs/dbraw/zinc/38/25/78/1061382578.db2.gz DCSHJWFCQRMBCC-OAHLLOKOSA-N 1 0 318.417 4.006 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC001473740235 1061382691 /nfs/dbraw/zinc/38/26/91/1061382691.db2.gz DCSHJWFCQRMBCC-HNNXBMFYSA-N 1 0 318.417 4.006 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001473784455 1061409666 /nfs/dbraw/zinc/40/96/66/1061409666.db2.gz XMUXXHMHLOXYHT-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO CCc1ccc2c(c1)C[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC001473905588 1061456746 /nfs/dbraw/zinc/45/67/46/1061456746.db2.gz SLMGTQRGXFLRMV-AWEZNQCLSA-N 1 0 310.397 4.277 20 5 DIBDRO CC(C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001473911156 1061458055 /nfs/dbraw/zinc/45/80/55/1061458055.db2.gz SMDZPTCZFDOLPF-UHFFFAOYSA-N 1 0 304.415 4.459 20 5 DIBDRO Cc1c(C[NH2+]CCc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC001473983893 1061525473 /nfs/dbraw/zinc/52/54/73/1061525473.db2.gz JERKPJDJAKILDP-UHFFFAOYSA-N 1 0 320.392 4.389 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C)(C)CC1 ZINC001474020536 1061558513 /nfs/dbraw/zinc/55/85/13/1061558513.db2.gz AOBWAIAQVYCVPI-UHFFFAOYSA-N 1 0 306.406 4.052 20 5 DIBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001474032496 1061576978 /nfs/dbraw/zinc/57/69/78/1061576978.db2.gz MKPHLYONLIUIHN-NVXWUHKLSA-N 1 0 304.434 4.476 20 5 DIBDRO Cc1[nH+]c2cc(NCc3c(C)ccc([N+](=O)[O-])c3C)ccc2n1C ZINC001474051623 1061598908 /nfs/dbraw/zinc/59/89/08/1061598908.db2.gz HWQWUTIKHVQZIH-UHFFFAOYSA-N 1 0 324.384 4.019 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc(CC3CCC3)c2)c1 ZINC001474098886 1061645006 /nfs/dbraw/zinc/64/50/06/1061645006.db2.gz UNKNCJBMQKRJGA-UHFFFAOYSA-N 1 0 324.424 4.270 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCCCCC2)cc(C(F)(F)F)c1 ZINC001474135803 1061681474 /nfs/dbraw/zinc/68/14/74/1061681474.db2.gz JTHLPMWUEHBYOE-UHFFFAOYSA-N 1 0 316.323 4.426 20 5 DIBDRO Cc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])s1 ZINC001458312855 1061693295 /nfs/dbraw/zinc/69/32/95/1061693295.db2.gz YCCJZCSCBKVCLD-CHWSQXEVSA-N 1 0 323.462 4.030 20 5 DIBDRO Cc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])s1 ZINC001458312877 1061693445 /nfs/dbraw/zinc/69/34/45/1061693445.db2.gz YCCJZCSCBKVCLD-STQMWFEESA-N 1 0 323.462 4.030 20 5 DIBDRO CC[NH+](CC)CCCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001458315415 1061693499 /nfs/dbraw/zinc/69/34/99/1061693499.db2.gz PBERWGJJQSFBOA-UHFFFAOYSA-N 1 0 320.220 4.045 20 5 DIBDRO Cc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])s1 ZINC001458312862 1061693540 /nfs/dbraw/zinc/69/35/40/1061693540.db2.gz YCCJZCSCBKVCLD-OLZOCXBDSA-N 1 0 323.462 4.030 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001474241414 1061804256 /nfs/dbraw/zinc/80/42/56/1061804256.db2.gz MSNGMHBAWYKOJI-QGZVFWFLSA-N 1 0 320.433 4.156 20 5 DIBDRO CCS[C@H]1CCCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001474316172 1061886909 /nfs/dbraw/zinc/88/69/09/1061886909.db2.gz KEODPEYAOXBBIO-HNNXBMFYSA-N 1 0 322.474 4.319 20 5 DIBDRO CC(C)(C)[NH2+]C[C@@H](O)CNc1c2ccccc2cc2ccccc21 ZINC001253402315 1061888412 /nfs/dbraw/zinc/88/84/12/1061888412.db2.gz DJNZGOAVPIFLJN-KRWDZBQOSA-N 1 0 322.452 4.154 20 5 DIBDRO CCOc1cc(C[N@H+](C2CC2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC001459346775 1062101289 /nfs/dbraw/zinc/10/12/89/1062101289.db2.gz ACVZOUPPCSJCCT-UHFFFAOYSA-N 1 0 318.417 4.291 20 5 DIBDRO CCC(CC)[N@H+](CC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479622 1062125689 /nfs/dbraw/zinc/12/56/89/1062125689.db2.gz FKETYYPTBFBNFC-UHFFFAOYSA-N 1 0 319.449 4.074 20 5 DIBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532023 1062163161 /nfs/dbraw/zinc/16/31/61/1062163161.db2.gz INAQTTVCNPAMMQ-ZDUSSCGKSA-N 1 0 323.396 4.120 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001254538126 1062163206 /nfs/dbraw/zinc/16/32/06/1062163206.db2.gz PKWFQDQNQIJJLG-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1Cl ZINC001254531301 1062163229 /nfs/dbraw/zinc/16/32/29/1062163229.db2.gz DDVBQJKSQYLABP-CYBMUJFWSA-N 1 0 318.804 4.012 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1ccccc1)C1CC1 ZINC001254534252 1062163568 /nfs/dbraw/zinc/16/35/68/1062163568.db2.gz UZSGUUSTVMSNCQ-LIRRHRJNSA-N 1 0 310.397 4.267 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC001474485878 1062163681 /nfs/dbraw/zinc/16/36/81/1062163681.db2.gz WFOQAVHPRILQMN-KOMQPUFPSA-N 1 0 316.788 4.284 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(F)cccc1Cl ZINC001254534689 1062163996 /nfs/dbraw/zinc/16/39/96/1062163996.db2.gz BBPHYAQOMHVPGE-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001254532243 1062164074 /nfs/dbraw/zinc/16/40/74/1062164074.db2.gz LXFXSIPPLQRIBI-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2ccccc21 ZINC001254530862 1062164745 /nfs/dbraw/zinc/16/47/45/1062164745.db2.gz BYXHYMDAQXZLSA-RDTXWAMCSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254533343 1062164940 /nfs/dbraw/zinc/16/49/40/1062164940.db2.gz KBUXCZQNTOZABI-HOTGVXAUSA-N 1 0 312.413 4.137 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1ccccc1)C1CC1 ZINC001254534250 1062165572 /nfs/dbraw/zinc/16/55/72/1062165572.db2.gz UZSGUUSTVMSNCQ-IFXJQAMLSA-N 1 0 310.397 4.267 20 5 DIBDRO Cc1ccc(C2([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254540741 1062166819 /nfs/dbraw/zinc/16/68/19/1062166819.db2.gz VKZLXIVEQLECIJ-HNNXBMFYSA-N 1 0 310.397 4.113 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1cccc(F)c1 ZINC001254540143 1062166951 /nfs/dbraw/zinc/16/69/51/1062166951.db2.gz PBNQZJDTIQJNRJ-CYBMUJFWSA-N 1 0 316.376 4.190 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1coc2ccccc12 ZINC001254540669 1062167246 /nfs/dbraw/zinc/16/72/46/1062167246.db2.gz UDGNLODJVQJITK-CQSZACIVSA-N 1 0 324.380 4.104 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC001254539114 1062167292 /nfs/dbraw/zinc/16/72/92/1062167292.db2.gz BVACGULEZKFQDK-HOTGVXAUSA-N 1 0 312.413 4.493 20 5 DIBDRO Cc1ccc(C(C)(C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254541168 1062167634 /nfs/dbraw/zinc/16/76/34/1062167634.db2.gz YYEHVGZSWPQYQT-HNNXBMFYSA-N 1 0 312.413 4.359 20 5 DIBDRO Cc1ccc(C2([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254540742 1062168349 /nfs/dbraw/zinc/16/83/49/1062168349.db2.gz VKZLXIVEQLECIJ-OAHLLOKOSA-N 1 0 310.397 4.113 20 5 DIBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001474491563 1062169840 /nfs/dbraw/zinc/16/98/40/1062169840.db2.gz IFZUPXPOECXSOV-KYHPRHEASA-N 1 0 316.445 4.332 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001254550551 1062173641 /nfs/dbraw/zinc/17/36/41/1062173641.db2.gz LREDUEPWZWSOHO-GJZGRUSLSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@@H]([NH3+])c1cn([C@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254550833 1062173776 /nfs/dbraw/zinc/17/37/76/1062173776.db2.gz RUOYGYJNMKLFAF-ZIAGYGMSSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CC(F)(F)F ZINC001254548787 1062173911 /nfs/dbraw/zinc/17/39/11/1062173911.db2.gz MIMNITPXQLFKRL-LLVKDONJSA-N 1 0 318.339 4.094 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CCCC2)C1 ZINC001254552785 1062173932 /nfs/dbraw/zinc/17/39/32/1062173932.db2.gz PHQUYIQUABIFJQ-HNNXBMFYSA-N 1 0 302.418 4.182 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001254550822 1062174340 /nfs/dbraw/zinc/17/43/40/1062174340.db2.gz RSJTZKRDIJEMSY-CABCVRRESA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001254558457 1062176610 /nfs/dbraw/zinc/17/66/10/1062176610.db2.gz AWECOGINYWJEST-APWZRJJASA-N 1 0 324.424 4.405 20 5 DIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC001459520833 1062180454 /nfs/dbraw/zinc/18/04/54/1062180454.db2.gz ANTCZQLHPWANDT-IAGOWNOFSA-N 1 0 320.433 4.010 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254572638 1062187079 /nfs/dbraw/zinc/18/70/79/1062187079.db2.gz RGGMAPFLZFSWBS-GDBMZVCRSA-N 1 0 316.426 4.255 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(C)cc1 ZINC001254576180 1062187236 /nfs/dbraw/zinc/18/72/36/1062187236.db2.gz VAYDOXZGDATHJO-PKOBYXMFSA-N 1 0 310.397 4.111 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1csc3ccccc13)C2 ZINC001254581117 1062190506 /nfs/dbraw/zinc/19/05/06/1062190506.db2.gz KOBGNJXEFHIKHD-HNNXBMFYSA-N 1 0 324.405 4.067 20 5 DIBDRO Cc1cccc([C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C(C)C)c1 ZINC001254588868 1062192003 /nfs/dbraw/zinc/19/20/03/1062192003.db2.gz JJPQNJQAKFHGEU-UYAOXDASSA-N 1 0 324.424 4.357 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254589615 1062192801 /nfs/dbraw/zinc/19/28/01/1062192801.db2.gz PVWFCVVAXRQKJQ-AEFFLSMTSA-N 1 0 302.418 4.011 20 5 DIBDRO CC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254589616 1062192822 /nfs/dbraw/zinc/19/28/22/1062192822.db2.gz PVWFCVVAXRQKJQ-WMZOPIPTSA-N 1 0 302.418 4.011 20 5 DIBDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605512 1062195321 /nfs/dbraw/zinc/19/53/21/1062195321.db2.gz AVKFATPBKKXUCO-UYAOXDASSA-N 1 0 322.408 4.071 20 5 DIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595719 1062196547 /nfs/dbraw/zinc/19/65/47/1062196547.db2.gz YRVUYKXPTMESOS-UYAOXDASSA-N 1 0 322.408 4.208 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCc2ccccc2CC1 ZINC001474527831 1062211127 /nfs/dbraw/zinc/21/11/27/1062211127.db2.gz SZGBCKQEGRRALF-UHFFFAOYSA-N 1 0 324.424 4.203 20 5 DIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001459623604 1062257488 /nfs/dbraw/zinc/25/74/88/1062257488.db2.gz MEHJQNHWXLJYLV-SUMWQHHRSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001459623602 1062259418 /nfs/dbraw/zinc/25/94/18/1062259418.db2.gz MEHJQNHWXLJYLV-GUYCJALGSA-N 1 0 314.360 4.112 20 5 DIBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001459722134 1062334313 /nfs/dbraw/zinc/33/43/13/1062334313.db2.gz YTJRXJNTQOLGDL-UHFFFAOYSA-N 1 0 306.406 4.017 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC001459823788 1062428096 /nfs/dbraw/zinc/42/80/96/1062428096.db2.gz FGQIZWJJOPMFJK-UKRRQHHQSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001474703490 1062428633 /nfs/dbraw/zinc/42/86/33/1062428633.db2.gz GFNMEBSSPFFTQA-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC001459824275 1062428715 /nfs/dbraw/zinc/42/87/15/1062428715.db2.gz JKOQSQSCSSFGRD-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@H]([NH2+]CCc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001459842404 1062442372 /nfs/dbraw/zinc/44/23/72/1062442372.db2.gz ITGYTTNYMUAODA-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001459862327 1062457091 /nfs/dbraw/zinc/45/70/91/1062457091.db2.gz ALHHWRRFPXSKRN-GOEBONIOSA-N 1 0 320.433 4.229 20 5 DIBDRO C[N@H+](CCCc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001459893967 1062476855 /nfs/dbraw/zinc/47/68/55/1062476855.db2.gz RDLKPOQUGUVVFW-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2cccc(C)c2C1 ZINC001459942708 1062511143 /nfs/dbraw/zinc/51/11/43/1062511143.db2.gz LGBNDAVNVXUEHO-OAHLLOKOSA-N 1 0 310.397 4.331 20 5 DIBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC001459967357 1062533264 /nfs/dbraw/zinc/53/32/64/1062533264.db2.gz MAGJBUQYDPJCRY-CJNGLKHVSA-N 1 0 306.406 4.004 20 5 DIBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC001459967359 1062533443 /nfs/dbraw/zinc/53/34/43/1062533443.db2.gz MAGJBUQYDPJCRY-XJKSGUPXSA-N 1 0 306.406 4.004 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCC2(CC2)CC1 ZINC001460007652 1062563890 /nfs/dbraw/zinc/56/38/90/1062563890.db2.gz TTWBIBATTVJUKC-UHFFFAOYSA-N 1 0 302.418 4.040 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001460077166 1062618319 /nfs/dbraw/zinc/61/83/19/1062618319.db2.gz TURXYXGQRPSDCN-KXBFYZLASA-N 1 0 310.397 4.220 20 5 DIBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC001460221620 1062709118 /nfs/dbraw/zinc/70/91/18/1062709118.db2.gz DMFJMOABSPNQSQ-MJGOQNOKSA-N 1 0 310.397 4.363 20 5 DIBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001460263525 1062737019 /nfs/dbraw/zinc/73/70/19/1062737019.db2.gz IKSLFXGDGHWJKU-GOEBONIOSA-N 1 0 308.397 4.381 20 5 DIBDRO CC[N@H+](Cc1occc1C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001460259291 1062738713 /nfs/dbraw/zinc/73/87/13/1062738713.db2.gz PYXKOYRCXUTOGF-AWEZNQCLSA-N 1 0 302.374 4.388 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001460295347 1062765770 /nfs/dbraw/zinc/76/57/70/1062765770.db2.gz IKKMDUDRZFVEOY-CZUORRHYSA-N 1 0 320.408 4.382 20 5 DIBDRO C[NH+](C)CCc1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001472687220 1063150525 /nfs/dbraw/zinc/15/05/25/1063150525.db2.gz XTDGSMZUCQBHMF-UHFFFAOYSA-N 1 0 319.792 4.096 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC001461063181 1063227804 /nfs/dbraw/zinc/22/78/04/1063227804.db2.gz DREDHXIXVLUMSJ-KDOFPFPSSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC001461063178 1063228892 /nfs/dbraw/zinc/22/88/92/1063228892.db2.gz DREDHXIXVLUMSJ-KBXCAEBGSA-N 1 0 310.397 4.193 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCC(C(C)C)CC1 ZINC001461379470 1063460498 /nfs/dbraw/zinc/46/04/98/1063460498.db2.gz URJZIPBWYFDUEO-UHFFFAOYSA-N 1 0 320.433 4.155 20 5 DIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001473175356 1063482503 /nfs/dbraw/zinc/48/25/03/1063482503.db2.gz JUNDIORTZYDTAK-SJORKVTESA-N 1 0 320.433 4.010 20 5 DIBDRO Cc1c(C[NH2+]C2CC(C)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001461459172 1063519677 /nfs/dbraw/zinc/51/96/77/1063519677.db2.gz AMEWZFSDTIASFT-UHFFFAOYSA-N 1 0 310.397 4.113 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001461464618 1063522684 /nfs/dbraw/zinc/52/26/84/1063522684.db2.gz NLRIVJZECIBIMS-KKUMJFAQSA-N 1 0 320.433 4.155 20 5 DIBDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001461468618 1063528110 /nfs/dbraw/zinc/52/81/10/1063528110.db2.gz ZQWLVVGCLQWPQJ-UONOGXRCSA-N 1 0 314.385 4.381 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCC1(F)F ZINC001461526837 1063560395 /nfs/dbraw/zinc/56/03/95/1063560395.db2.gz BGXUIAYSJNLONU-GLNPCMGASA-N 1 0 324.371 4.413 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001461599062 1063604281 /nfs/dbraw/zinc/60/42/81/1063604281.db2.gz FRDXJMOYERYVDV-IRXDYDNUSA-N 1 0 310.397 4.105 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC3(CCC3)C2)o1 ZINC001461615502 1063615224 /nfs/dbraw/zinc/61/52/24/1063615224.db2.gz QWKJXQILGLIZBZ-UHFFFAOYSA-N 1 0 312.369 4.277 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001461651478 1063636133 /nfs/dbraw/zinc/63/61/33/1063636133.db2.gz ASXFKLOZCUFMGH-MHWRWJLKSA-N 1 0 310.397 4.405 20 5 DIBDRO Cc1ccc(C[NH2+]C2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC001461697307 1063664300 /nfs/dbraw/zinc/66/43/00/1063664300.db2.gz IXWWNGNCOMONEW-UHFFFAOYSA-N 1 0 302.418 4.496 20 5 DIBDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001461999324 1063870266 /nfs/dbraw/zinc/87/02/66/1063870266.db2.gz QNXIXMVTANYRIY-SGTLLEGYSA-N 1 0 314.360 4.147 20 5 DIBDRO CC(C)([NH2+]Cc1cccc(C2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001462058543 1063908765 /nfs/dbraw/zinc/90/87/65/1063908765.db2.gz JQFLQPDASOADJU-UHFFFAOYSA-N 1 0 310.397 4.497 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000846846084 1065171412 /nfs/dbraw/zinc/17/14/12/1065171412.db2.gz CBHDUWJVAJOSMP-CQSZACIVSA-N 1 0 323.755 4.023 20 5 DIBDRO CCC(CC)[NH2+]CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001307155766 1065287517 /nfs/dbraw/zinc/28/75/17/1065287517.db2.gz TUZWYVMKXDCDMR-UHFFFAOYSA-N 1 0 320.220 4.092 20 5 DIBDRO C[N@H+](CCCCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001307418450 1065379401 /nfs/dbraw/zinc/37/94/01/1065379401.db2.gz IWNQCVFPVUBFJY-UHFFFAOYSA-N 1 0 316.376 4.189 20 5 DIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC001307426411 1065385627 /nfs/dbraw/zinc/38/56/27/1065385627.db2.gz IPMPAQJFPASVED-SFHVURJKSA-N 1 0 314.360 4.379 20 5 DIBDRO CC(C)[N@H+](CCCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001307430127 1065390555 /nfs/dbraw/zinc/39/05/55/1065390555.db2.gz AGAFXHQBRZOFEP-UHFFFAOYSA-N 1 0 312.413 4.438 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001307444721 1065405311 /nfs/dbraw/zinc/40/53/11/1065405311.db2.gz YDUQWYVIQKYPAF-CQSZACIVSA-N 1 0 314.360 4.032 20 5 DIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC001307493193 1065436627 /nfs/dbraw/zinc/43/66/27/1065436627.db2.gz UITHTFWFHBGRDX-UHFFFAOYSA-N 1 0 318.417 4.020 20 5 DIBDRO CC(C)C[C@@H](C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307498594 1065442553 /nfs/dbraw/zinc/44/25/53/1065442553.db2.gz UPAOUEPAQSENCA-OAHLLOKOSA-N 1 0 320.433 4.120 20 5 DIBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307548171 1065476520 /nfs/dbraw/zinc/47/65/20/1065476520.db2.gz PNIMMYJWAJOMPN-CRAIPNDOSA-N 1 0 320.433 4.264 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)c(F)c1 ZINC001307577981 1065491440 /nfs/dbraw/zinc/49/14/40/1065491440.db2.gz XULDSEQCGMCVAX-GOSISDBHSA-N 1 0 314.360 4.365 20 5 DIBDRO CCc1ccc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001307627145 1065526365 /nfs/dbraw/zinc/52/63/65/1065526365.db2.gz QRJSGBRWLINYTM-UHFFFAOYSA-N 1 0 312.413 4.225 20 5 DIBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001307636541 1065532225 /nfs/dbraw/zinc/53/22/25/1065532225.db2.gz JBNYNXXXXIYDBC-QGZVFWFLSA-N 1 0 316.376 4.091 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)C2CCCCCC2)c([N+](=O)[O-])cc1F ZINC001307668212 1065552038 /nfs/dbraw/zinc/55/20/38/1065552038.db2.gz GXXVYMVNFGFRIO-LBPRGKRZSA-N 1 0 324.396 4.191 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001307689587 1065564578 /nfs/dbraw/zinc/56/45/78/1065564578.db2.gz BZFWKXIUYCHKQY-MJGOQNOKSA-N 1 0 324.424 4.404 20 5 DIBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307704625 1065574317 /nfs/dbraw/zinc/57/43/17/1065574317.db2.gz DKYQOMAVLVENCP-MEBBXXQBSA-N 1 0 312.360 4.177 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC001307720908 1065583735 /nfs/dbraw/zinc/58/37/35/1065583735.db2.gz BAPYDABDKMPZMJ-ZDUSSCGKSA-N 1 0 306.406 4.004 20 5 DIBDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001307759771 1065609702 /nfs/dbraw/zinc/60/97/02/1065609702.db2.gz CTJHREOSFTVNGM-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO CCc1ccc([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001307800083 1065627083 /nfs/dbraw/zinc/62/70/83/1065627083.db2.gz QFGQSWRFSRBLHE-LJQANCHMSA-N 1 0 324.424 4.189 20 5 DIBDRO C[C@]1(c2ccccc2)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001308037388 1065736629 /nfs/dbraw/zinc/73/66/29/1065736629.db2.gz CZDRADKEQKZKAO-LJQANCHMSA-N 1 0 310.397 4.149 20 5 DIBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001308057029 1065743220 /nfs/dbraw/zinc/74/32/20/1065743220.db2.gz NYCGMJZEQNLIBU-LBPRGKRZSA-N 1 0 316.788 4.368 20 5 DIBDRO Cc1ccc(C[NH2+]CC(C)(C)c2ccccc2C)cc1[N+](=O)[O-] ZINC001308237267 1065842475 /nfs/dbraw/zinc/84/24/75/1065842475.db2.gz DUPNBLCPPFLXNP-UHFFFAOYSA-N 1 0 312.413 4.279 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2csc3ccccc23)c1 ZINC001308357079 1065937351 /nfs/dbraw/zinc/93/73/51/1065937351.db2.gz NNOSVVASWOJSEP-UHFFFAOYSA-N 1 0 312.394 4.142 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC001308416545 1065973721 /nfs/dbraw/zinc/97/37/21/1065973721.db2.gz IOICNSHPYRRKGS-GOSISDBHSA-N 1 0 310.397 4.187 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC001308521312 1066042602 /nfs/dbraw/zinc/04/26/02/1066042602.db2.gz ACZMWUJCFOQWTM-MAUKXSAKSA-N 1 0 302.418 4.388 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C/C=C\Cl)s2)cc1 ZINC001308542394 1066058854 /nfs/dbraw/zinc/05/88/54/1066058854.db2.gz AOTQVJKKIOQRRF-QPIMQUGISA-N 1 0 308.790 4.165 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000903289820 1066103430 /nfs/dbraw/zinc/10/34/30/1066103430.db2.gz YEYLPKBFFNFMOG-UONOGXRCSA-N 1 0 313.401 4.073 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000903288198 1066103664 /nfs/dbraw/zinc/10/36/64/1066103664.db2.gz UOGZCACXKDEXDQ-MNOVXSKESA-N 1 0 320.776 4.366 20 5 DIBDRO CC[C@H]1CCCC[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001308712702 1066193722 /nfs/dbraw/zinc/19/37/22/1066193722.db2.gz QZYBDRYYVWWFFR-DLBZAZTESA-N 1 0 304.434 4.286 20 5 DIBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308821992 1066296718 /nfs/dbraw/zinc/29/67/18/1066296718.db2.gz YBKXKWFIZLZKHR-JTQLQIEISA-N 1 0 316.323 4.234 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC001308842998 1066319271 /nfs/dbraw/zinc/31/92/71/1066319271.db2.gz GGESNYDQGPUKHN-PBHICJAKSA-N 1 0 314.429 4.228 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC([C@H]2CCC[C@@H](C)C2)C1 ZINC001308911068 1066390822 /nfs/dbraw/zinc/39/08/22/1066390822.db2.gz DAEVDCFIUFAKJI-CJNGLKHVSA-N 1 0 316.445 4.470 20 5 DIBDRO C[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001308937696 1066408889 /nfs/dbraw/zinc/40/88/89/1066408889.db2.gz VMKXACWYOJNTQU-NJZAAPMLSA-N 1 0 308.447 4.166 20 5 DIBDRO C[C@H](C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001308958618 1066420379 /nfs/dbraw/zinc/42/03/79/1066420379.db2.gz KSBZGUCJNJPRGK-ZIAGYGMSSA-N 1 0 316.376 4.231 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCCC1 ZINC001308983429 1066431707 /nfs/dbraw/zinc/43/17/07/1066431707.db2.gz DBOCZECHPZAPGL-ZFWWWQNUSA-N 1 0 308.809 4.164 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000078830327 185117226 /nfs/dbraw/zinc/11/72/26/185117226.db2.gz DFBVMKFLINMINP-MRXNPFEDSA-N 1 0 300.358 4.305 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000078831812 185117849 /nfs/dbraw/zinc/11/78/49/185117849.db2.gz MEZFIFUINOWMIO-MRXNPFEDSA-N 1 0 300.358 4.305 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000186747530 200002872 /nfs/dbraw/zinc/00/28/72/200002872.db2.gz GLDQVRRFACEDDJ-DOMZBBRYSA-N 1 0 319.430 4.286 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])cc1 ZINC000061359970 184169037 /nfs/dbraw/zinc/16/90/37/184169037.db2.gz XKBFJSKLYFGYKP-IAQYHMDHSA-N 1 0 302.399 4.385 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000272407567 130027150 /nfs/dbraw/zinc/02/71/50/130027150.db2.gz ZZLKSXIJZJHBMO-CQSZACIVSA-N 1 0 320.433 4.244 20 5 DIBDRO CC(C)c1nc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cs1 ZINC000274431987 130234342 /nfs/dbraw/zinc/23/43/42/130234342.db2.gz JWTYFWVCTJFJQH-GFCCVEGCSA-N 1 0 319.430 4.068 20 5 DIBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000292830322 131680595 /nfs/dbraw/zinc/68/05/95/131680595.db2.gz AMWRIWLTKIPLRO-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120220678 132143056 /nfs/dbraw/zinc/14/30/56/132143056.db2.gz IXAKIODQOVIDQU-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000570507146 332764341 /nfs/dbraw/zinc/76/43/41/332764341.db2.gz ZDQRHDUFKNJWSZ-UONOGXRCSA-N 1 0 320.458 4.087 20 5 DIBDRO CSCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180575299 331573214 /nfs/dbraw/zinc/57/32/14/331573214.db2.gz VOXNQALKKPEGBP-QGZVFWFLSA-N 1 0 316.426 4.027 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000537955443 331686649 /nfs/dbraw/zinc/68/66/49/331686649.db2.gz WTNHDZYHBVECKG-ZVZYQTTQSA-N 1 0 320.433 4.005 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000317413544 331773103 /nfs/dbraw/zinc/77/31/03/331773103.db2.gz XUMWCRIGEJHJSA-QGZVFWFLSA-N 1 0 302.349 4.017 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000537957803 331778412 /nfs/dbraw/zinc/77/84/12/331778412.db2.gz VCBMNTAXZKWDLL-GXTWGEPZSA-N 1 0 312.360 4.083 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000558119245 331878138 /nfs/dbraw/zinc/87/81/38/331878138.db2.gz BCLDCGKCSIGXTF-SFHVURJKSA-N 1 0 310.397 4.379 20 5 DIBDRO CC(C)C1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000559327530 332026443 /nfs/dbraw/zinc/02/64/43/332026443.db2.gz WNUZEKBANGMDCF-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cs1 ZINC000520042056 332030798 /nfs/dbraw/zinc/03/07/98/332030798.db2.gz FRHWDYVOJPPZKT-OAHLLOKOSA-N 1 0 320.389 4.003 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559897275 332291137 /nfs/dbraw/zinc/29/11/37/332291137.db2.gz KFUSPGFVTXWWRS-QOKNQOGYSA-N 1 0 310.397 4.358 20 5 DIBDRO Cc1cc(N[C@H](C)c2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181422309 333030470 /nfs/dbraw/zinc/03/04/70/333030470.db2.gz QBUFNJSKMVPCLR-GFCCVEGCSA-N 1 0 308.341 4.020 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000181828541 333032858 /nfs/dbraw/zinc/03/28/58/333032858.db2.gz XDYYNQVBXOEVRI-QGZVFWFLSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000466934900 333101122 /nfs/dbraw/zinc/10/11/22/333101122.db2.gz GOLVJMSKOVSGDE-DZGCQCFKSA-N 1 0 306.406 4.002 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000525880967 335127566 /nfs/dbraw/zinc/12/75/66/335127566.db2.gz KVBCZHMDMOTAGI-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1OC ZINC000323426368 333195656 /nfs/dbraw/zinc/19/56/56/333195656.db2.gz ZDQGKLPAXXOXJH-INIZCTEOSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000518786241 333239149 /nfs/dbraw/zinc/23/91/49/333239149.db2.gz WCSHTJWLJLHFSE-UHFFFAOYSA-N 1 0 312.413 4.491 20 5 DIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000019992139 333272694 /nfs/dbraw/zinc/27/26/94/333272694.db2.gz DNDPHASZTCTMCJ-LBPRGKRZSA-N 1 0 313.829 4.171 20 5 DIBDRO CC[C@@H]([NH2+]CCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000390570242 333301677 /nfs/dbraw/zinc/30/16/77/333301677.db2.gz OICMLASUBMUKKS-GOSISDBHSA-N 1 0 314.385 4.105 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000194920257 333317489 /nfs/dbraw/zinc/31/74/89/333317489.db2.gz IKDLGXQQBGEJSJ-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO CC1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000531444962 333354110 /nfs/dbraw/zinc/35/41/10/333354110.db2.gz QGLAPFRUTYHHCV-UHFFFAOYSA-N 1 0 302.399 4.211 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000021506631 333388588 /nfs/dbraw/zinc/38/85/88/333388588.db2.gz COWHZYZGWMRVNW-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000391181514 333422824 /nfs/dbraw/zinc/42/28/24/333422824.db2.gz JPMAGQJMXPEWFL-OAHLLOKOSA-N 1 0 319.430 4.033 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000320294996 333500876 /nfs/dbraw/zinc/50/08/76/333500876.db2.gz RMFZDJGCDYNGKG-QZTJIDSGSA-N 1 0 310.397 4.411 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC000531690478 333545359 /nfs/dbraw/zinc/54/53/59/333545359.db2.gz GFESZXAMELQJBW-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000531703519 333548118 /nfs/dbraw/zinc/54/81/18/333548118.db2.gz IPIYHHSVOXZWSR-STQMWFEESA-N 1 0 302.349 4.188 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000531708358 333548675 /nfs/dbraw/zinc/54/86/75/333548675.db2.gz IKJPYUHAUGFMAE-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000414062316 333889264 /nfs/dbraw/zinc/88/92/64/333889264.db2.gz CMSPEZUZIGWWQJ-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414113929 333905464 /nfs/dbraw/zinc/90/54/64/333905464.db2.gz ZCWOEOBSUKQNHT-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C2CCC(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000414177987 333909076 /nfs/dbraw/zinc/90/90/76/333909076.db2.gz JOHZBTLQLUVYEM-PNESKVBLSA-N 1 0 312.360 4.378 20 5 DIBDRO CC[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414252802 333920972 /nfs/dbraw/zinc/92/09/72/333920972.db2.gz IYXSSSHHIBQTQC-VXGBXAGGSA-N 1 0 318.339 4.094 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000414260686 333929152 /nfs/dbraw/zinc/92/91/52/333929152.db2.gz GNCFZKASUAEXEB-KOLCDFICSA-N 1 0 304.312 4.142 20 5 DIBDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271384030 334022419 /nfs/dbraw/zinc/02/24/19/334022419.db2.gz KPJDXVPATOVDMM-OAHLLOKOSA-N 1 0 319.792 4.226 20 5 DIBDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271384027 334022431 /nfs/dbraw/zinc/02/24/31/334022431.db2.gz KPJDXVPATOVDMM-HNNXBMFYSA-N 1 0 319.792 4.226 20 5 DIBDRO C[NH2+]Cc1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000414978694 334223334 /nfs/dbraw/zinc/22/33/34/334223334.db2.gz SGFYCOMKZSLDAK-UHFFFAOYSA-N 1 0 313.401 4.050 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000531945880 334301152 /nfs/dbraw/zinc/30/11/52/334301152.db2.gz KZFJFNDRHYHUAW-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000049129253 334314895 /nfs/dbraw/zinc/31/48/95/334314895.db2.gz PZQLHKNHGBFFAR-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000531959456 334315216 /nfs/dbraw/zinc/31/52/16/334315216.db2.gz YXBFOGLFVRQOQP-QGZVFWFLSA-N 1 0 316.788 4.068 20 5 DIBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000534696719 334327694 /nfs/dbraw/zinc/32/76/94/334327694.db2.gz OYLHGUJCPAOOIY-KRWDZBQOSA-N 1 0 320.339 4.156 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531969578 334327743 /nfs/dbraw/zinc/32/77/43/334327743.db2.gz WBVBCGXTVHMSQN-VNHYZAJKSA-N 1 0 308.447 4.228 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C3CCC2CC3)s1 ZINC000535066374 334363000 /nfs/dbraw/zinc/36/30/00/334363000.db2.gz OEJQUAPVWYWQNK-UHFFFAOYSA-N 1 0 314.410 4.450 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000189168814 334888020 /nfs/dbraw/zinc/88/80/20/334888020.db2.gz AYVWMKTYEPEIHY-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO CC1(C)Cc2occc2[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344089034 335217118 /nfs/dbraw/zinc/21/71/18/335217118.db2.gz LKBJYAHAZRWHDM-OAHLLOKOSA-N 1 0 314.385 4.034 20 5 DIBDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000326905350 335651228 /nfs/dbraw/zinc/65/12/28/335651228.db2.gz LVSMXVFDZFXWQR-AWEZNQCLSA-N 1 0 323.396 4.246 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000532212490 335919183 /nfs/dbraw/zinc/91/91/83/335919183.db2.gz PLYGLOKFDWWPBF-QWHCGFSZSA-N 1 0 304.415 4.247 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCC(F)(F)CC1)CCC2 ZINC000332227777 336163948 /nfs/dbraw/zinc/16/39/48/336163948.db2.gz ORPJAKCDGGUBTR-HNNXBMFYSA-N 1 0 310.344 4.140 20 5 DIBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000526118733 336203194 /nfs/dbraw/zinc/20/31/94/336203194.db2.gz XZWWYNODACQWGU-KRWDZBQOSA-N 1 0 302.349 4.017 20 5 DIBDRO CN(Cc1ccoc1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352649184 336228631 /nfs/dbraw/zinc/22/86/31/336228631.db2.gz IZQMVNNOWQBRKZ-UHFFFAOYSA-N 1 0 312.325 4.080 20 5 DIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000301575309 336316078 /nfs/dbraw/zinc/31/60/78/336316078.db2.gz YLZZLFZTRYLVGT-UHFFFAOYSA-N 1 0 323.824 4.067 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCC(F)(F)C2)C2CC2)cc1 ZINC000514130919 336374993 /nfs/dbraw/zinc/37/49/93/336374993.db2.gz QNPALWBWJSMEAQ-CQSZACIVSA-N 1 0 324.371 4.385 20 5 DIBDRO CCO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000193432499 336896959 /nfs/dbraw/zinc/89/69/59/336896959.db2.gz PBLNRNZRBWSEJC-RDTXWAMCSA-N 1 0 314.385 4.023 20 5 DIBDRO CCO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000193522564 337038245 /nfs/dbraw/zinc/03/82/45/337038245.db2.gz PVBUIDRROOWTCK-RDTXWAMCSA-N 1 0 314.385 4.023 20 5 DIBDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000193701103 337079159 /nfs/dbraw/zinc/07/91/59/337079159.db2.gz PYITYOLNONVSBN-AWEZNQCLSA-N 1 0 314.385 4.234 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181616334 337183365 /nfs/dbraw/zinc/18/33/65/337183365.db2.gz AVDIWRXDGACEDB-SFHVURJKSA-N 1 0 314.385 4.153 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000321085794 337196838 /nfs/dbraw/zinc/19/68/38/337196838.db2.gz IZSVVPWJMQZFLY-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189374226 337279105 /nfs/dbraw/zinc/27/91/05/337279105.db2.gz FXQURSQHJPAXBB-SUMWQHHRSA-N 1 0 312.369 4.078 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CC(F)F)c2ccccc2)cc1 ZINC000420988524 337517583 /nfs/dbraw/zinc/51/75/83/337517583.db2.gz USEJKKKIQACRDB-OAHLLOKOSA-N 1 0 306.312 4.081 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](CC(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000421380653 337529267 /nfs/dbraw/zinc/52/92/67/337529267.db2.gz YVBUBWHSIKLAET-OAHLLOKOSA-N 1 0 320.339 4.389 20 5 DIBDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320587987 337598957 /nfs/dbraw/zinc/59/89/57/337598957.db2.gz BTJZQKWOAWKYHM-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000035055442 337741072 /nfs/dbraw/zinc/74/10/72/337741072.db2.gz QSUHBDLFVSZVND-OAHLLOKOSA-N 1 0 304.777 4.489 20 5 DIBDRO Cc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000536867205 337749572 /nfs/dbraw/zinc/74/95/72/337749572.db2.gz CGGHWLQWNPRSCK-LJQANCHMSA-N 1 0 324.424 4.057 20 5 DIBDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000071269824 337851965 /nfs/dbraw/zinc/85/19/65/337851965.db2.gz NKNODXFLMOGCKZ-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000119086410 337854201 /nfs/dbraw/zinc/85/42/01/337854201.db2.gz HJDRMEYNCUCFIB-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000120564563 337877839 /nfs/dbraw/zinc/87/78/39/337877839.db2.gz ZFHJGHHFUMTJGY-KGLIPLIRSA-N 1 0 302.374 4.168 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000090886336 337886610 /nfs/dbraw/zinc/88/66/10/337886610.db2.gz NUSJJVMRABYVHI-IAQYHMDHSA-N 1 0 317.389 4.310 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000090886164 337886635 /nfs/dbraw/zinc/88/66/35/337886635.db2.gz GDGPZNOQEOLBDN-XHDPSFHLSA-N 1 0 317.389 4.310 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC(c2ccccc2)C1 ZINC000575071666 338522148 /nfs/dbraw/zinc/52/21/48/338522148.db2.gz BWGXAXJPGGONNM-JTTJXQCZSA-N 1 0 308.381 4.118 20 5 DIBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000537306419 337930028 /nfs/dbraw/zinc/93/00/28/337930028.db2.gz HANFDXCYDLWSJV-YVMONPNESA-N 1 0 302.399 4.194 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CCS[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000426380800 338029756 /nfs/dbraw/zinc/02/97/56/338029756.db2.gz WWHREBKFYBFTRW-CYBMUJFWSA-N 1 0 308.447 4.046 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H]4CCC[C@H]43)o2)c1 ZINC000428455687 338052642 /nfs/dbraw/zinc/05/26/42/338052642.db2.gz JXXSJXGYPOHCQG-CXAGYDPISA-N 1 0 312.369 4.229 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000429249723 338074843 /nfs/dbraw/zinc/07/48/43/338074843.db2.gz CFWVOCGSVLTDPJ-GFCCVEGCSA-N 1 0 312.360 4.245 20 5 DIBDRO CC(C)([NH2+]CCSc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429268335 338075413 /nfs/dbraw/zinc/07/54/13/338075413.db2.gz RVSAUWVOGPKRDE-UHFFFAOYSA-N 1 0 316.426 4.212 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000430200647 338101117 /nfs/dbraw/zinc/10/11/17/338101117.db2.gz BDPVLERFWUKKCK-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000430203397 338101314 /nfs/dbraw/zinc/10/13/14/338101314.db2.gz FNTSZONTVNNFIW-GOSISDBHSA-N 1 0 314.385 4.090 20 5 DIBDRO CSC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433055896 338178893 /nfs/dbraw/zinc/17/88/93/338178893.db2.gz WVLJWKQXCQMVGP-HNNXBMFYSA-N 1 0 320.458 4.193 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433156299 338183386 /nfs/dbraw/zinc/18/33/86/338183386.db2.gz ITZDTQYJYZYWIM-QGZVFWFLSA-N 1 0 314.360 4.246 20 5 DIBDRO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433239449 338187340 /nfs/dbraw/zinc/18/73/40/338187340.db2.gz GUTKXOSQVXBEET-TVQRCGJNSA-N 1 0 316.323 4.248 20 5 DIBDRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433239450 338187348 /nfs/dbraw/zinc/18/73/48/338187348.db2.gz GUTKXOSQVXBEET-ZANVPECISA-N 1 0 316.323 4.248 20 5 DIBDRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433239447 338187356 /nfs/dbraw/zinc/18/73/56/338187356.db2.gz GUTKXOSQVXBEET-NOZJJQNGSA-N 1 0 316.323 4.248 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]C2CCC(F)(F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433299599 338190222 /nfs/dbraw/zinc/19/02/22/338190222.db2.gz BZKCFLGBSXSFRM-OAHLLOKOSA-N 1 0 324.371 4.485 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434495404 338218585 /nfs/dbraw/zinc/21/85/85/338218585.db2.gz VOEBESFWHFUNIR-UHFFFAOYSA-N 1 0 314.360 4.056 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000153233107 338220738 /nfs/dbraw/zinc/22/07/38/338220738.db2.gz JINLCTFLYLFFLZ-RYUDHWBXSA-N 1 0 318.348 4.154 20 5 DIBDRO CSc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000436284301 338265979 /nfs/dbraw/zinc/26/59/79/338265979.db2.gz MZRKJBXQCPKYSQ-CYBMUJFWSA-N 1 0 316.426 4.210 20 5 DIBDRO C[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000436408573 338271349 /nfs/dbraw/zinc/27/13/49/338271349.db2.gz HOWCYOURHOOSEW-NSHDSACASA-N 1 0 313.332 4.066 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H]1CCCCS1)c1cccc([N+](=O)[O-])c1 ZINC000156352992 338354463 /nfs/dbraw/zinc/35/44/63/338354463.db2.gz FHXZZQOFIQSEIM-HOTGVXAUSA-N 1 0 308.447 4.311 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(c2ccccc2)C1 ZINC000449150014 338597188 /nfs/dbraw/zinc/59/71/88/338597188.db2.gz YMRALMBUFNQXNP-RWBZWWBESA-N 1 0 310.397 4.062 20 5 DIBDRO C[C@@H](CCc1ccsc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348223 338615980 /nfs/dbraw/zinc/61/59/80/338615980.db2.gz KNJHSCQDLQUDAC-STQMWFEESA-N 1 0 304.415 4.328 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c(F)cccc32)c(F)c1 ZINC000449351679 338616482 /nfs/dbraw/zinc/61/64/82/338616482.db2.gz QKVGFZMKGBSRCW-KRWDZBQOSA-N 1 0 318.323 4.040 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000453232013 338811510 /nfs/dbraw/zinc/81/15/10/338811510.db2.gz IYBNGLBWXWPXRP-XIKOKIGWSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000453243094 338813191 /nfs/dbraw/zinc/81/31/91/338813191.db2.gz RCWYQDDRZKDGHG-UCLAIMLFSA-N 1 0 310.397 4.062 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000453318477 338823933 /nfs/dbraw/zinc/82/39/33/338823933.db2.gz MEBZCPFOUOBPIS-MPGHIAIKSA-N 1 0 320.433 4.005 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000459642785 339039911 /nfs/dbraw/zinc/03/99/11/339039911.db2.gz NSVULWATRGVKNS-LSDHHAIUSA-N 1 0 313.401 4.052 20 5 DIBDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000459649136 339040394 /nfs/dbraw/zinc/04/03/94/339040394.db2.gz JLUYYGVFNXIAJJ-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CSC(C)(C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000167385641 339053549 /nfs/dbraw/zinc/05/35/49/339053549.db2.gz NQFCCMSHJONSIR-UHFFFAOYSA-N 1 0 305.403 4.005 20 5 DIBDRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000462542177 339080912 /nfs/dbraw/zinc/08/09/12/339080912.db2.gz LBSOTWQFHBFQMP-AUUYWEPGSA-N 1 0 310.397 4.398 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2CC2)s1 ZINC000462741338 339086259 /nfs/dbraw/zinc/08/62/59/339086259.db2.gz LRHDWPBWVIOOFM-UHFFFAOYSA-N 1 0 302.399 4.213 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000462765345 339087374 /nfs/dbraw/zinc/08/73/74/339087374.db2.gz SHMPFKMBPRWHJX-UHFFFAOYSA-N 1 0 318.804 4.361 20 5 DIBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000464050345 339131874 /nfs/dbraw/zinc/13/18/74/339131874.db2.gz KVESBSIQKNUCOS-GOSISDBHSA-N 1 0 316.376 4.091 20 5 DIBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000464849773 339157686 /nfs/dbraw/zinc/15/76/86/339157686.db2.gz IQYLYRVVVDPGQN-PBHICJAKSA-N 1 0 314.385 4.204 20 5 DIBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000464849774 339157745 /nfs/dbraw/zinc/15/77/45/339157745.db2.gz IQYLYRVVVDPGQN-RHSMWYFYSA-N 1 0 314.385 4.204 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000466450318 339205495 /nfs/dbraw/zinc/20/54/95/339205495.db2.gz TWOABCNUHOEOSA-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO Cc1ccc2c(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)c[nH]c2c1 ZINC000467841001 339247372 /nfs/dbraw/zinc/24/73/72/339247372.db2.gz XPRUDNRGAHBHCF-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467851277 339247726 /nfs/dbraw/zinc/24/77/26/339247726.db2.gz MDOGIXKBOGNLGQ-ZDUSSCGKSA-N 1 0 314.360 4.116 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Sc1ccccc1 ZINC000467856866 339247761 /nfs/dbraw/zinc/24/77/61/339247761.db2.gz SHXNAMPYFTXMLC-KGLIPLIRSA-N 1 0 316.426 4.426 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000467991318 339250680 /nfs/dbraw/zinc/25/06/80/339250680.db2.gz XMVHEGQYWDURAS-INIZCTEOSA-N 1 0 302.349 4.017 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000468005003 339251036 /nfs/dbraw/zinc/25/10/36/339251036.db2.gz OBLYACWCNXRCFV-INIZCTEOSA-N 1 0 302.349 4.017 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000468442652 339262886 /nfs/dbraw/zinc/26/28/86/339262886.db2.gz CBOOKJPYKAMTFC-RBUKOAKNSA-N 1 0 310.397 4.063 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000468442650 339262887 /nfs/dbraw/zinc/26/28/87/339262887.db2.gz CBOOKJPYKAMTFC-MOPGFXCFSA-N 1 0 310.397 4.063 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C2CC2)CCC1 ZINC000468608979 339267051 /nfs/dbraw/zinc/26/70/51/339267051.db2.gz OMXLVUDYBVRVJS-GXDHUFHOSA-N 1 0 300.402 4.168 20 5 DIBDRO CCO[C@H](CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468745069 339269715 /nfs/dbraw/zinc/26/97/15/339269715.db2.gz PRXQTSQDPWSJFA-HAZIXKIPSA-N 1 0 320.433 4.039 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000468744367 339269733 /nfs/dbraw/zinc/26/97/33/339269733.db2.gz QXCVHEHMHYSFBW-ICDLMJIXSA-N 1 0 310.344 4.166 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC000469235514 339283708 /nfs/dbraw/zinc/28/37/08/339283708.db2.gz YKYCVUXMQBJGLX-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000469810412 339301595 /nfs/dbraw/zinc/30/15/95/339301595.db2.gz XCIYZEUOLVIYQL-QWHCGFSZSA-N 1 0 306.406 4.223 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000470140628 339311610 /nfs/dbraw/zinc/31/16/10/339311610.db2.gz GPMSKNRPYLOGSB-ZDUSSCGKSA-N 1 0 316.323 4.066 20 5 DIBDRO CSCC[C@H](C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174032 339312866 /nfs/dbraw/zinc/31/28/66/339312866.db2.gz HMENDYMRGMBOQC-ZVHGMHCTSA-N 1 0 308.447 4.072 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470938884 339331745 /nfs/dbraw/zinc/33/17/45/339331745.db2.gz AFMNBQQZUNKZJE-WDMOLILDSA-N 1 0 316.323 4.237 20 5 DIBDRO CSc1ccccc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000470999698 339334259 /nfs/dbraw/zinc/33/42/59/339334259.db2.gz WIPUIEUCMNIVGV-UHFFFAOYSA-N 1 0 316.426 4.257 20 5 DIBDRO CCSc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000472040373 339360113 /nfs/dbraw/zinc/36/01/13/339360113.db2.gz CKJCTFQGBCCYIG-UHFFFAOYSA-N 1 0 316.426 4.039 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000474049491 339399148 /nfs/dbraw/zinc/39/91/48/339399148.db2.gz ZATWOVWHDLXXTM-NEPJUHHUSA-N 1 0 312.360 4.459 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000475326141 339446418 /nfs/dbraw/zinc/44/64/18/339446418.db2.gz AJYLKHURODILFO-CQSZACIVSA-N 1 0 308.422 4.149 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000475343158 339448126 /nfs/dbraw/zinc/44/81/26/339448126.db2.gz QDASBBSUQWBLNG-RDJZCZTQSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)cs1 ZINC000475560777 339455273 /nfs/dbraw/zinc/45/52/73/339455273.db2.gz VSDUJFRVMLNPIZ-DZGCQCFKSA-N 1 0 320.389 4.221 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000477863552 339503207 /nfs/dbraw/zinc/50/32/07/339503207.db2.gz OYDNTGWSOIFVEY-WMLDXEAASA-N 1 0 318.417 4.127 20 5 DIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000479091113 339527314 /nfs/dbraw/zinc/52/73/14/339527314.db2.gz AHKZFIWRIVUEJX-UHFFFAOYSA-N 1 0 316.376 4.235 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000480718777 339584568 /nfs/dbraw/zinc/58/45/68/339584568.db2.gz FLYQQJPGDRURQJ-QILLFSRXSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481045040 339594329 /nfs/dbraw/zinc/59/43/29/339594329.db2.gz GBWPISOJXNOZAS-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000481815701 339614482 /nfs/dbraw/zinc/61/44/82/339614482.db2.gz NYDUFLAZKPHYFT-HUUCEWRRSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)c21 ZINC000482451680 339631867 /nfs/dbraw/zinc/63/18/67/339631867.db2.gz KZTOKBSHLQGJLI-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000483603923 339669177 /nfs/dbraw/zinc/66/91/77/339669177.db2.gz GVNHKDYKXIJXCQ-DOMZBBRYSA-N 1 0 316.401 4.477 20 5 DIBDRO Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483631050 339670105 /nfs/dbraw/zinc/67/01/05/339670105.db2.gz CJLKDHNXRTUIQP-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000484479377 339687218 /nfs/dbraw/zinc/68/72/18/339687218.db2.gz WROGMDQUNUFPGY-KSSFIOAISA-N 1 0 320.433 4.231 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000498488022 339725780 /nfs/dbraw/zinc/72/57/80/339725780.db2.gz PLGNDTPKFHJTKG-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000487265952 339748003 /nfs/dbraw/zinc/74/80/03/339748003.db2.gz CBCRXIUXTXWTLC-NSHDSACASA-N 1 0 317.414 4.088 20 5 DIBDRO CC(C)CCOC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000490295563 339830198 /nfs/dbraw/zinc/83/01/98/339830198.db2.gz AYGKFWIVRGCNGT-OAHLLOKOSA-N 1 0 320.433 4.183 20 5 DIBDRO CC[C@@H]([NH2+]CCCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000499607061 340040774 /nfs/dbraw/zinc/04/07/74/340040774.db2.gz QMBMUTXPEIHKCG-GOSISDBHSA-N 1 0 320.433 4.232 20 5 DIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000500187498 340052438 /nfs/dbraw/zinc/05/24/38/340052438.db2.gz TUKUPCISXUUNQG-HXUWFJFHSA-N 1 0 324.424 4.191 20 5 DIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cc1 ZINC000500210929 340053006 /nfs/dbraw/zinc/05/30/06/340053006.db2.gz SMBRCFPFCLEUHF-INIZCTEOSA-N 1 0 316.426 4.172 20 5 DIBDRO C[C@@H]1C[C@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000500419060 340057720 /nfs/dbraw/zinc/05/77/20/340057720.db2.gz AHHHPSGJFZISJO-SJKOYZFVSA-N 1 0 316.788 4.273 20 5 DIBDRO CCSCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000502347251 340100369 /nfs/dbraw/zinc/10/03/69/340100369.db2.gz ULPHVUFPOQDELU-GDBMZVCRSA-N 1 0 322.474 4.039 20 5 DIBDRO CCSCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000502566383 340108039 /nfs/dbraw/zinc/10/80/39/340108039.db2.gz QVEVCHUGFLEXAH-HNNXBMFYSA-N 1 0 308.447 4.050 20 5 DIBDRO CC[C@H]([NH2+]CC1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000503951619 340138404 /nfs/dbraw/zinc/13/84/04/340138404.db2.gz GLQQGLRJTPPDAP-HNNXBMFYSA-N 1 0 312.360 4.461 20 5 DIBDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000479459601 340151793 /nfs/dbraw/zinc/15/17/93/340151793.db2.gz XUAMNHBAFOSTTM-CQSZACIVSA-N 1 0 323.396 4.246 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccsc1 ZINC000504920070 340156212 /nfs/dbraw/zinc/15/62/12/340156212.db2.gz MSRUNTNZZYZQLN-CYBMUJFWSA-N 1 0 322.455 4.317 20 5 DIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000516598640 340171298 /nfs/dbraw/zinc/17/12/98/340171298.db2.gz BYISSAKWRAILSS-GOSISDBHSA-N 1 0 314.385 4.187 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000505853220 340179801 /nfs/dbraw/zinc/17/98/01/340179801.db2.gz IVMRGACNGCGQAI-MRXNPFEDSA-N 1 0 306.381 4.279 20 5 DIBDRO CC(C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000505886293 340180825 /nfs/dbraw/zinc/18/08/25/340180825.db2.gz BQUBOUIFSYLYNT-UHFFFAOYSA-N 1 0 308.765 4.348 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000506257674 340190232 /nfs/dbraw/zinc/19/02/32/340190232.db2.gz BSMOVPDUMKEQQK-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000506417851 340194323 /nfs/dbraw/zinc/19/43/23/340194323.db2.gz UKSCMPQHKNPYMX-YVMONPNESA-N 1 0 300.358 4.112 20 5 DIBDRO Cc1ccc(CN(C)[C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000506553236 340196439 /nfs/dbraw/zinc/19/64/39/340196439.db2.gz WLJVGSFEFJVWQK-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO Cc1sccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000507242532 340215291 /nfs/dbraw/zinc/21/52/91/340215291.db2.gz GOLRHJOTEOPDLM-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000507439773 340219574 /nfs/dbraw/zinc/21/95/74/340219574.db2.gz FTQMZFILEVGNDF-GFCCVEGCSA-N 1 0 300.358 4.085 20 5 DIBDRO CC[C@@H]1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCO1 ZINC000507792580 340231720 /nfs/dbraw/zinc/23/17/20/340231720.db2.gz FODNXZKPFWDQOU-FUHWJXTLSA-N 1 0 320.433 4.010 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+](CC1CC1)C1CCCCC1 ZINC000507837912 340233802 /nfs/dbraw/zinc/23/38/02/340233802.db2.gz VKOCTVUSFBXGMQ-UHFFFAOYSA-N 1 0 306.381 4.279 20 5 DIBDRO CC(C)[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000508012043 340237330 /nfs/dbraw/zinc/23/73/30/340237330.db2.gz CBAFICAQQWRGNF-UHFFFAOYSA-N 1 0 300.358 4.228 20 5 DIBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000402626640 340249012 /nfs/dbraw/zinc/24/90/12/340249012.db2.gz WZAVIFCKHUAMHO-QWRGUYRKSA-N 1 0 304.312 4.224 20 5 DIBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000402626643 340249016 /nfs/dbraw/zinc/24/90/16/340249016.db2.gz WZAVIFCKHUAMHO-WDEREUQCSA-N 1 0 304.312 4.224 20 5 DIBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1CC1 ZINC000510395669 340297895 /nfs/dbraw/zinc/29/78/95/340297895.db2.gz NOEPXYICALDWRS-UHFFFAOYSA-N 1 0 302.399 4.165 20 5 DIBDRO C[N@H+](CCc1cccc2ccccc21)Cc1cccc([N+](=O)[O-])c1 ZINC000303160907 340307634 /nfs/dbraw/zinc/30/76/34/340307634.db2.gz TZGCEQPZSRYYSE-UHFFFAOYSA-N 1 0 320.392 4.423 20 5 DIBDRO CC(C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000510754879 340309935 /nfs/dbraw/zinc/30/99/35/340309935.db2.gz OIGDHYVWLBRDHH-UHFFFAOYSA-N 1 0 318.348 4.272 20 5 DIBDRO CC[C@@H]([NH2+][C@H](CCOC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000511019962 340318433 /nfs/dbraw/zinc/31/84/33/340318433.db2.gz WVEDYFFZBHOQKH-HZPDHXFCSA-N 1 0 308.422 4.087 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)F)cc1 ZINC000511121402 340321547 /nfs/dbraw/zinc/32/15/47/340321547.db2.gz FTFMPAFZNKYGRS-UHFFFAOYSA-N 1 0 320.339 4.207 20 5 DIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000303552745 340333369 /nfs/dbraw/zinc/33/33/69/340333369.db2.gz HIIBNVPLRDPKJV-HXUWFJFHSA-N 1 0 324.424 4.153 20 5 DIBDRO C[C@H](c1ccco1)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000511753123 340337198 /nfs/dbraw/zinc/33/71/98/340337198.db2.gz FIWHBZAWAYUFMI-BTKRWWFXSA-N 1 0 312.369 4.427 20 5 DIBDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000513099956 340393194 /nfs/dbraw/zinc/39/31/94/340393194.db2.gz DNDVGINDJJEVQI-SMDDNHRTSA-N 1 0 302.399 4.211 20 5 DIBDRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513821657 340426633 /nfs/dbraw/zinc/42/66/33/340426633.db2.gz MYEOBIBIZVPMGP-UKPHBRMFSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513821655 340426715 /nfs/dbraw/zinc/42/67/15/340426715.db2.gz MYEOBIBIZVPMGP-FRFSOERESA-N 1 0 302.418 4.084 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000513856854 340428766 /nfs/dbraw/zinc/42/87/66/340428766.db2.gz CJPYAEYWOWQWNQ-YVEFUNNKSA-N 1 0 314.360 4.380 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](SC)C1)c1cccc([N+](=O)[O-])c1 ZINC000223719643 340547365 /nfs/dbraw/zinc/54/73/65/340547365.db2.gz NJVCAKAAJKPDRS-IMJJTQAJSA-N 1 0 308.447 4.310 20 5 DIBDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000237902187 340674945 /nfs/dbraw/zinc/67/49/45/340674945.db2.gz YREXORYOQPKWAQ-INIZCTEOSA-N 1 0 314.385 4.300 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1cccs1 ZINC000527287175 340710751 /nfs/dbraw/zinc/71/07/51/340710751.db2.gz WYJLLPADTUYBGT-KAMYIIQDSA-N 1 0 316.426 4.282 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000537983332 340795474 /nfs/dbraw/zinc/79/54/74/340795474.db2.gz HEMKVWLIDFHOIQ-LESCRADOSA-N 1 0 310.397 4.185 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)o1 ZINC000538727803 340842910 /nfs/dbraw/zinc/84/29/10/340842910.db2.gz YLMCYHBCRGMHKQ-KBPBESRZSA-N 1 0 312.369 4.087 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000540151936 340917647 /nfs/dbraw/zinc/91/76/47/340917647.db2.gz SYRZMAHMRGKIKW-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000540778381 340945463 /nfs/dbraw/zinc/94/54/63/340945463.db2.gz AXRHEWFQFFGLTR-YQQAZPJKSA-N 1 0 320.433 4.148 20 5 DIBDRO CCCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000541593009 340976756 /nfs/dbraw/zinc/97/67/56/340976756.db2.gz LOQBCTYHBREJBB-CQSZACIVSA-N 1 0 317.389 4.185 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3)CCC2)c(Cl)c1 ZINC000542932486 341026667 /nfs/dbraw/zinc/02/66/67/341026667.db2.gz PVMIXQRVCOUYME-UHFFFAOYSA-N 1 0 316.788 4.417 20 5 DIBDRO CS[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000543410695 341042870 /nfs/dbraw/zinc/04/28/70/341042870.db2.gz CSIKREUSPAJPCB-ZDUSSCGKSA-N 1 0 316.854 4.116 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCCC(F)(F)F)C2CC2)cc1 ZINC000130887459 341052746 /nfs/dbraw/zinc/05/27/46/341052746.db2.gz SCDSMYFHASKNTH-UHFFFAOYSA-N 1 0 316.323 4.292 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000544469353 341083490 /nfs/dbraw/zinc/08/34/90/341083490.db2.gz RCBUHWZGMUJSLI-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000544574489 341086563 /nfs/dbraw/zinc/08/65/63/341086563.db2.gz WOFRNMJWKIJHGM-BEFAXECRSA-N 1 0 324.424 4.309 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H](OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000131486435 341091415 /nfs/dbraw/zinc/09/14/15/341091415.db2.gz SOPNCNWFDWPZEN-ZWKOTPCHSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000544897841 341098299 /nfs/dbraw/zinc/09/82/99/341098299.db2.gz MEURCBDBROILPU-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO CCOc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000132219340 341118666 /nfs/dbraw/zinc/11/86/66/341118666.db2.gz RZVOIXABNOKTRB-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000546165537 341155510 /nfs/dbraw/zinc/15/55/10/341155510.db2.gz CNYJMPMMAVBFST-JQWIXIFHSA-N 1 0 304.312 4.285 20 5 DIBDRO CCC(CC)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236644056 341191606 /nfs/dbraw/zinc/19/16/06/341191606.db2.gz RJPCHMIDDMZLDO-UHFFFAOYSA-N 1 0 319.430 4.244 20 5 DIBDRO Cc1ccc2c(CC[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)c[nH]c2c1 ZINC000237884850 341222530 /nfs/dbraw/zinc/22/25/30/341222530.db2.gz YQURYCMESKJHHW-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@H+](CC2CC2)C2CCCCC2)cc1 ZINC000078458885 341242443 /nfs/dbraw/zinc/24/24/43/341242443.db2.gz KWFLGKVAEDJFAL-UHFFFAOYSA-N 1 0 302.418 4.182 20 5 DIBDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000079724043 341264615 /nfs/dbraw/zinc/26/46/15/341264615.db2.gz QJOUBOWWOGBYKP-AWEZNQCLSA-N 1 0 314.385 4.234 20 5 DIBDRO CCOc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000080347105 341273016 /nfs/dbraw/zinc/27/30/16/341273016.db2.gz WHXNSMVLHVVIGM-UHFFFAOYSA-N 1 0 314.385 4.018 20 5 DIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000246028594 341322464 /nfs/dbraw/zinc/32/24/64/341322464.db2.gz VUAXVMHUDUQKGX-SKDZVZGDSA-N 1 0 320.433 4.229 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000550851616 341324408 /nfs/dbraw/zinc/32/44/08/341324408.db2.gz BCTVWOULCBOPSA-UHFFFAOYSA-N 1 0 320.433 4.157 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cs1 ZINC000552274268 341382950 /nfs/dbraw/zinc/38/29/50/341382950.db2.gz JMNAYHXJYGJGHW-HNNXBMFYSA-N 1 0 302.399 4.036 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000089512287 341405210 /nfs/dbraw/zinc/40/52/10/341405210.db2.gz WIRRVCGARDNCCB-KRWDZBQOSA-N 1 0 314.385 4.234 20 5 DIBDRO CCOCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000090457006 341415899 /nfs/dbraw/zinc/41/58/99/341415899.db2.gz JSRHQNWWIREURD-OAHLLOKOSA-N 1 0 320.433 4.151 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000555619375 341487319 /nfs/dbraw/zinc/48/73/19/341487319.db2.gz KOCPFYRCUZFUFN-OJNKPTKUSA-N 1 0 322.408 4.391 20 5 DIBDRO CC(C)SCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000566992162 341573669 /nfs/dbraw/zinc/57/36/69/341573669.db2.gz JSNMEMYWAORYPB-HOCLYGCPSA-N 1 0 322.474 4.037 20 5 DIBDRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266841736 341588707 /nfs/dbraw/zinc/58/87/07/341588707.db2.gz GYOQPKIIUMUMAD-UONOGXRCSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000268758438 341603557 /nfs/dbraw/zinc/60/35/57/341603557.db2.gz KMNYCBRDNFUXSW-PKSQDBQZSA-N 1 0 316.323 4.367 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000155889462 341614347 /nfs/dbraw/zinc/61/43/47/341614347.db2.gz SQELHILGMRYXNM-BONVTDFDSA-N 1 0 303.362 4.002 20 5 DIBDRO CC[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540753975 517824138 /nfs/dbraw/zinc/82/41/38/517824138.db2.gz WQJMRVORJJBCCV-KRWDZBQOSA-N 1 0 314.360 4.464 20 5 DIBDRO CSCc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000188722933 525740689 /nfs/dbraw/zinc/74/06/89/525740689.db2.gz AFJXKWUBXQZSJB-CYBMUJFWSA-N 1 0 316.426 4.309 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000127073206 525902463 /nfs/dbraw/zinc/90/24/63/525902463.db2.gz HBCKLYMHUGBBNJ-HUUCEWRRSA-N 1 0 318.417 4.046 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCCC2)CC1 ZINC000266508561 526107321 /nfs/dbraw/zinc/10/73/21/526107321.db2.gz CSMXFGHAGWNJAH-AWEZNQCLSA-N 1 0 318.417 4.079 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCCC2)CC1 ZINC000266508562 526119239 /nfs/dbraw/zinc/11/92/39/526119239.db2.gz CSMXFGHAGWNJAH-CQSZACIVSA-N 1 0 318.417 4.079 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000297433207 536901583 /nfs/dbraw/zinc/90/15/83/536901583.db2.gz VMKHKMXLHFCAIE-RYUDHWBXSA-N 1 0 318.348 4.154 20 5 DIBDRO COCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000186884897 1035598340 /nfs/dbraw/zinc/59/83/40/1035598340.db2.gz DHYAHGAZKXQLTF-OAHLLOKOSA-N 1 0 320.433 4.232 20 5 DIBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000430193415 1035666597 /nfs/dbraw/zinc/66/65/97/1035666597.db2.gz GCGPRNUTZJVINX-OAHLLOKOSA-N 1 0 322.474 4.293 20 5 DIBDRO Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)cc1[N+](=O)[O-] ZINC000608837293 1035670997 /nfs/dbraw/zinc/67/09/97/1035670997.db2.gz ZNFTUUBRVDYPKN-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608836696 1035724098 /nfs/dbraw/zinc/72/40/98/1035724098.db2.gz FPSGVYYSQBTJQB-STQMWFEESA-N 1 0 302.374 4.379 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000120516081 1035863613 /nfs/dbraw/zinc/86/36/13/1035863613.db2.gz YNLAMLONJOWDAR-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO CC(C)(Cc1ccccc1Cl)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000609223689 1035965881 /nfs/dbraw/zinc/96/58/81/1035965881.db2.gz GESVFMPBAPGQOO-UHFFFAOYSA-N 1 0 318.804 4.359 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000609281024 1035972503 /nfs/dbraw/zinc/97/25/03/1035972503.db2.gz YWQHLJZETUGJRE-QGZVFWFLSA-N 1 0 310.397 4.050 20 5 DIBDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001167237627 1036304923 /nfs/dbraw/zinc/30/49/23/1036304923.db2.gz MQRYRXMYTJXARI-UHFFFAOYSA-N 1 0 320.339 4.285 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000219869800 1036596910 /nfs/dbraw/zinc/59/69/10/1036596910.db2.gz GLEKLYLDYYAYNR-OAHLLOKOSA-N 1 0 320.433 4.293 20 5 DIBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001167336795 1036802139 /nfs/dbraw/zinc/80/21/39/1036802139.db2.gz BRTNIVPWNYKXJX-GHMZBOCLSA-N 1 0 316.323 4.377 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C2CCCC1CCC2 ZINC000610369932 1036912671 /nfs/dbraw/zinc/91/26/71/1036912671.db2.gz BDRHGVYJTXGPQC-UHFFFAOYSA-N 1 0 318.417 4.289 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC001167356105 1036963217 /nfs/dbraw/zinc/96/32/17/1036963217.db2.gz JKSYBZKBRWYUQV-VXGBXAGGSA-N 1 0 324.396 4.142 20 5 DIBDRO Cc1ccsc1CN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000579752707 1037226150 /nfs/dbraw/zinc/22/61/50/1037226150.db2.gz XAQYSZBZVAQLBI-UHFFFAOYSA-N 1 0 310.806 4.250 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC000319872435 1037230128 /nfs/dbraw/zinc/23/01/28/1037230128.db2.gz SRPPQXZYCLPQCV-SUMWQHHRSA-N 1 0 314.385 4.405 20 5 DIBDRO O=[N+]([O-])c1ccc(CN(Cc2ccccc2)C2CC2)c(Cl)c1 ZINC001167443200 1037411658 /nfs/dbraw/zinc/41/16/58/1037411658.db2.gz POLMHWKAEKFXSW-UHFFFAOYSA-N 1 0 316.788 4.413 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCc2sccc2C1 ZINC000610369481 1037598680 /nfs/dbraw/zinc/59/86/80/1037598680.db2.gz ZPFKFVWAJDIXRH-LBPRGKRZSA-N 1 0 302.399 4.166 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000477341977 1037903481 /nfs/dbraw/zinc/90/34/81/1037903481.db2.gz ZUBCDQILTBDZLU-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO Cc1ccc(SCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000061012201 1038163732 /nfs/dbraw/zinc/16/37/32/1038163732.db2.gz LRVLMOKVCMLTFF-UHFFFAOYSA-N 1 0 316.426 4.094 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1[N+](=O)[O-] ZINC000276803533 1038223190 /nfs/dbraw/zinc/22/31/90/1038223190.db2.gz MLQBFYZWGPCWSX-BLLLJJGKSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000603497578 1038228579 /nfs/dbraw/zinc/22/85/79/1038228579.db2.gz DKKLCVVKXRAGQM-LBPRGKRZSA-N 1 0 304.777 4.441 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000603682806 1038266811 /nfs/dbraw/zinc/26/68/11/1038266811.db2.gz APWIDUXSWMHUPQ-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1 ZINC000061254623 1038273212 /nfs/dbraw/zinc/27/32/12/1038273212.db2.gz BQCVEHDUEHTUKM-UHFFFAOYSA-N 1 0 304.777 4.270 20 5 DIBDRO CC(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)C ZINC000610771545 1038300731 /nfs/dbraw/zinc/30/07/31/1038300731.db2.gz WCNQDXUUXZDVAL-UHFFFAOYSA-N 1 0 319.405 4.240 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000603867936 1038309194 /nfs/dbraw/zinc/30/91/94/1038309194.db2.gz DLHJYXIKLKZBEN-GOSISDBHSA-N 1 0 314.360 4.379 20 5 DIBDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603894760 1038315768 /nfs/dbraw/zinc/31/57/68/1038315768.db2.gz GNEGWBJCLJIQBG-GFCCVEGCSA-N 1 0 320.339 4.109 20 5 DIBDRO CC[C@@H]([NH2+]CCc1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000539217739 1038540902 /nfs/dbraw/zinc/54/09/02/1038540902.db2.gz LYMPTNUKYCMECT-OAHLLOKOSA-N 1 0 304.415 4.248 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000361964774 1038544569 /nfs/dbraw/zinc/54/45/69/1038544569.db2.gz CEKRYDQVKCVDHP-RDTXWAMCSA-N 1 0 313.401 4.052 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000539379396 1038565393 /nfs/dbraw/zinc/56/53/93/1038565393.db2.gz AQSHNXUIFZEXLB-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC3(F)CCC3)o2)c1 ZINC000582264639 1038620895 /nfs/dbraw/zinc/62/08/95/1038620895.db2.gz SUNZHARBRCZDSQ-UHFFFAOYSA-N 1 0 318.348 4.227 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000051626807 1038642644 /nfs/dbraw/zinc/64/26/44/1038642644.db2.gz SLAGHNRWGAEACG-INIZCTEOSA-N 1 0 304.777 4.489 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000582400212 1038655879 /nfs/dbraw/zinc/65/58/79/1038655879.db2.gz NURQCXLUBGGZAR-NSHDSACASA-N 1 0 322.792 4.351 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000050166179 1038690793 /nfs/dbraw/zinc/69/07/93/1038690793.db2.gz CYOTWODVJVKAHH-UHFFFAOYSA-N 1 0 311.168 4.191 20 5 DIBDRO C[C@H]([NH2+]CCCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000479537678 1038715918 /nfs/dbraw/zinc/71/59/18/1038715918.db2.gz BDXQIVMRNBFOGM-ZDUSSCGKSA-N 1 0 302.349 4.017 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCc1c(F)cccc1OC ZINC001167614340 1038917739 /nfs/dbraw/zinc/91/77/39/1038917739.db2.gz PCXDAERCSPCWNZ-UHFFFAOYSA-N 1 0 317.428 4.043 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000608836543 1038928452 /nfs/dbraw/zinc/92/84/52/1038928452.db2.gz QWTNLEIIZNMUME-GFCCVEGCSA-N 1 0 316.426 4.459 20 5 DIBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608836378 1038928775 /nfs/dbraw/zinc/92/87/75/1038928775.db2.gz ATHFXJFIAOQZIE-RYUDHWBXSA-N 1 0 302.399 4.069 20 5 DIBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001167620697 1038949884 /nfs/dbraw/zinc/94/98/84/1038949884.db2.gz QOGXJFCSONULFJ-RDJZCZTQSA-N 1 0 310.397 4.048 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000178687518 1038978866 /nfs/dbraw/zinc/97/88/66/1038978866.db2.gz AWGIHTDNNBZXFK-YVEFUNNKSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1ccsc1CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572877452 1038987847 /nfs/dbraw/zinc/98/78/47/1038987847.db2.gz ZOAYOPOKFOEKLZ-UHFFFAOYSA-N 1 0 310.806 4.250 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000178728110 1039055145 /nfs/dbraw/zinc/05/51/45/1039055145.db2.gz SBJRDNPALZXUFX-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CSCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539829791 1039356303 /nfs/dbraw/zinc/35/63/03/1039356303.db2.gz XVHWPWNCDWLPTC-UHFFFAOYSA-N 1 0 322.455 4.118 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)o1 ZINC000539851230 1039368796 /nfs/dbraw/zinc/36/87/96/1039368796.db2.gz SMZFYORHHPIJLR-CQSZACIVSA-N 1 0 312.369 4.087 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)o1 ZINC000539851229 1039369659 /nfs/dbraw/zinc/36/96/59/1039369659.db2.gz SMZFYORHHPIJLR-AWEZNQCLSA-N 1 0 312.369 4.087 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443348815 1039512269 /nfs/dbraw/zinc/51/22/69/1039512269.db2.gz SIAMYIMKCUTFHE-CQSZACIVSA-N 1 0 318.417 4.079 20 5 DIBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC(F)F ZINC000595417624 1039557455 /nfs/dbraw/zinc/55/74/55/1039557455.db2.gz BAHSLCMKXVQBEC-NWDGAFQWSA-N 1 0 300.349 4.235 20 5 DIBDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000601297757 1039599155 /nfs/dbraw/zinc/59/91/55/1039599155.db2.gz DBMPQOQFUPJCNY-ZUZCIYMTSA-N 1 0 317.414 4.088 20 5 DIBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000601298626 1039628181 /nfs/dbraw/zinc/62/81/81/1039628181.db2.gz PCMDQLCNLKDQQH-NEPJUHHUSA-N 1 0 319.430 4.032 20 5 DIBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000596061623 1039807154 /nfs/dbraw/zinc/80/71/54/1039807154.db2.gz BRFSNXWIMSOYGL-ALCCZGGFSA-N 1 0 316.323 4.176 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)c(F)c1 ZINC000491588015 1039864528 /nfs/dbraw/zinc/86/45/28/1039864528.db2.gz DMDXCWAWJOZMKI-LLVKDONJSA-N 1 0 316.323 4.039 20 5 DIBDRO CC(C)([NH2+]Cc1cc(F)cc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000492052828 1039910334 /nfs/dbraw/zinc/91/03/34/1039910334.db2.gz ZVMQFWBBQANQGW-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC=CC3)o2)c(Cl)c1 ZINC000151973872 1039928273 /nfs/dbraw/zinc/92/82/73/1039928273.db2.gz HUPAVEGZIHQBSI-UHFFFAOYSA-N 1 0 318.760 4.316 20 5 DIBDRO Cc1cc(Cl)ccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000235793243 1040127381 /nfs/dbraw/zinc/12/73/81/1040127381.db2.gz SVIICEDISQTHLV-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO Cc1cccc([C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000612174326 1040478823 /nfs/dbraw/zinc/47/88/23/1040478823.db2.gz RITRKGDJFCPIHE-HNNXBMFYSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158921475 1040518138 /nfs/dbraw/zinc/51/81/38/1040518138.db2.gz SSXJNPLGTRPMEI-GFCCVEGCSA-N 1 0 317.414 4.093 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000612582081 1040645135 /nfs/dbraw/zinc/64/51/35/1040645135.db2.gz SYDXDJDQESXQLU-DGCLKSJQSA-N 1 0 316.323 4.066 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC23CC3)cc(C(F)(F)F)c1 ZINC000581082670 1040841335 /nfs/dbraw/zinc/84/13/35/1040841335.db2.gz MBJOWLWAWVLIHJ-ZDUSSCGKSA-N 1 0 314.307 4.036 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000581396391 1040854680 /nfs/dbraw/zinc/85/46/80/1040854680.db2.gz AECGVEWHEOHYHZ-FERCGXDMSA-N 1 0 323.396 4.230 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172974505 1040863513 /nfs/dbraw/zinc/86/35/13/1040863513.db2.gz MYBQOOGHCJHURT-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO Cc1ccccc1CC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001170592610 1041287525 /nfs/dbraw/zinc/28/75/25/1041287525.db2.gz FSSGIQIHNCURSD-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987284 1041406470 /nfs/dbraw/zinc/40/64/70/1041406470.db2.gz UMRMTYNVEFTRBS-PRHODGIISA-N 1 0 303.189 4.180 20 5 DIBDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000236747573 1041410393 /nfs/dbraw/zinc/41/03/93/1041410393.db2.gz CICCFMYLBGPJPK-GOSISDBHSA-N 1 0 310.397 4.497 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000517495601 1041460701 /nfs/dbraw/zinc/46/07/01/1041460701.db2.gz CQWISDXWZBYCGK-ZDUSSCGKSA-N 1 0 318.417 4.367 20 5 DIBDRO CSC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811482485 1041521317 /nfs/dbraw/zinc/52/13/17/1041521317.db2.gz YBARHDXKJRVRDO-UHFFFAOYSA-N 1 0 323.245 4.133 20 5 DIBDRO Cc1ccc2c(c1)CN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000481096918 1041528423 /nfs/dbraw/zinc/52/84/23/1041528423.db2.gz UGYGRGWSLAFINL-UHFFFAOYSA-N 1 0 319.364 4.280 20 5 DIBDRO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417328177 1041656988 /nfs/dbraw/zinc/65/69/88/1041656988.db2.gz GPWKEGYQSCAQFI-IINYFYTJSA-N 1 0 316.323 4.150 20 5 DIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015037424 1041750201 /nfs/dbraw/zinc/75/02/01/1041750201.db2.gz QJRGMVMUCDPYDY-OAHLLOKOSA-N 1 0 302.399 4.166 20 5 DIBDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000815566056 1041964006 /nfs/dbraw/zinc/96/40/06/1041964006.db2.gz HPEOIYVHAUVBDP-STQMWFEESA-N 1 0 302.349 4.454 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000815586079 1041968055 /nfs/dbraw/zinc/96/80/55/1041968055.db2.gz YPDNBHKOEZIYRL-MJBXVCDLSA-N 1 0 313.401 4.020 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000541731976 1042087339 /nfs/dbraw/zinc/08/73/39/1042087339.db2.gz FIKGIPRALYVLDM-INIZCTEOSA-N 1 0 316.788 4.415 20 5 DIBDRO CCC[C@H]([NH2+]CCCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000481736789 1042150051 /nfs/dbraw/zinc/15/00/51/1042150051.db2.gz ZVYLNQYCIQPZNJ-SFHVURJKSA-N 1 0 320.433 4.375 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000420957383 1042617434 /nfs/dbraw/zinc/61/74/34/1042617434.db2.gz ZNPIEJSLPKZBEW-LBPRGKRZSA-N 1 0 316.323 4.068 20 5 DIBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000514191383 1042773636 /nfs/dbraw/zinc/77/36/36/1042773636.db2.gz XTVIPGIBXUNWHN-SFHVURJKSA-N 1 0 310.397 4.110 20 5 DIBDRO CCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000515238615 1042814345 /nfs/dbraw/zinc/81/43/45/1042814345.db2.gz TZCRVXLHDXOGSH-SNVBAGLBSA-N 1 0 304.312 4.234 20 5 DIBDRO C[C@@H](C1CC1)[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000515779814 1042835074 /nfs/dbraw/zinc/83/50/74/1042835074.db2.gz ITLSFJZFMSILFT-ZDUSSCGKSA-N 1 0 316.426 4.457 20 5 DIBDRO C[C@H](C1CC1)[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000515779813 1042835479 /nfs/dbraw/zinc/83/54/79/1042835479.db2.gz ITLSFJZFMSILFT-CYBMUJFWSA-N 1 0 316.426 4.457 20 5 DIBDRO CC[C@@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000557696746 1042880933 /nfs/dbraw/zinc/88/09/33/1042880933.db2.gz WCKXEDUSKXHZCI-UKRRQHHQSA-N 1 0 317.389 4.038 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000519160610 1042935656 /nfs/dbraw/zinc/93/56/56/1042935656.db2.gz QWJSADWUIBSUQS-ZDUSSCGKSA-N 1 0 318.417 4.145 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000266430272 1042951938 /nfs/dbraw/zinc/95/19/38/1042951938.db2.gz DBZCWPGYCHYNST-IUODEOHRSA-N 1 0 314.410 4.483 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266428985 1042951993 /nfs/dbraw/zinc/95/19/93/1042951993.db2.gz CSGOQVVTKRWCEA-KBPBESRZSA-N 1 0 314.385 4.405 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266428990 1042952055 /nfs/dbraw/zinc/95/20/55/1042952055.db2.gz CSGOQVVTKRWCEA-ZIAGYGMSSA-N 1 0 314.385 4.405 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266454847 1042957930 /nfs/dbraw/zinc/95/79/30/1042957930.db2.gz KHWNDLXLILVMAQ-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000120901697 1043034012 /nfs/dbraw/zinc/03/40/12/1043034012.db2.gz ZMGOOTKNAIASHF-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000441326310 1043036189 /nfs/dbraw/zinc/03/61/89/1043036189.db2.gz DZPVDVJVLPOKND-MRXNPFEDSA-N 1 0 318.442 4.418 20 5 DIBDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000441327081 1043036906 /nfs/dbraw/zinc/03/69/06/1043036906.db2.gz AEJSFQXQAOICAO-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000176812650 1043100429 /nfs/dbraw/zinc/10/04/29/1043100429.db2.gz QGTZWZVEKCWVRU-KBXCAEBGSA-N 1 0 313.401 4.080 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000178134403 1043123022 /nfs/dbraw/zinc/12/30/22/1043123022.db2.gz QVPIPZMOVIHTST-UONOGXRCSA-N 1 0 316.405 4.092 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178649706 1043135152 /nfs/dbraw/zinc/13/51/52/1043135152.db2.gz KFDUGDPXPQEQLO-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441536284 1043207752 /nfs/dbraw/zinc/20/77/52/1043207752.db2.gz SWCJMAXUKRSNPB-HOTGVXAUSA-N 1 0 310.397 4.454 20 5 DIBDRO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186127150 1043215170 /nfs/dbraw/zinc/21/51/70/1043215170.db2.gz RQMGAPOCJSVHLK-WDEREUQCSA-N 1 0 306.387 4.077 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C/C=C\C2CC2)s1 ZINC001202521503 1043217813 /nfs/dbraw/zinc/21/78/13/1043217813.db2.gz WJTAZYOUAWSRTD-ARJAWSKDSA-N 1 0 314.410 4.379 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000866539475 1043218340 /nfs/dbraw/zinc/21/83/40/1043218340.db2.gz MMMAQLLOTMEYRK-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000866539474 1043219317 /nfs/dbraw/zinc/21/93/17/1043219317.db2.gz MMMAQLLOTMEYRK-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO Cc1csc([C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000186559427 1043229142 /nfs/dbraw/zinc/22/91/42/1043229142.db2.gz DDQVSODIKFYKKS-ZWNOBZJWSA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1ccc(C[NH2+]CCc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000520956845 1043344626 /nfs/dbraw/zinc/34/46/26/1043344626.db2.gz FPTYREKSBTYSRH-UHFFFAOYSA-N 1 0 320.392 4.389 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3CCCC3)o2)c1 ZINC000520951849 1043346088 /nfs/dbraw/zinc/34/60/88/1043346088.db2.gz PAMXQSLQBMRMDE-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271524035 1043428288 /nfs/dbraw/zinc/42/82/88/1043428288.db2.gz PVLNLUUJESBWNH-NVXWUHKLSA-N 1 0 318.417 4.127 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000442856293 1043443077 /nfs/dbraw/zinc/44/30/77/1043443077.db2.gz CZTJFKBYRCLJCY-ZDUSSCGKSA-N 1 0 316.426 4.210 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000872064274 1043445654 /nfs/dbraw/zinc/44/56/54/1043445654.db2.gz XPQDEHFBHWGLNR-IUCAKERBSA-N 1 0 322.352 4.308 20 5 DIBDRO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872084476 1043454652 /nfs/dbraw/zinc/45/46/52/1043454652.db2.gz SJRHBIGUISWFFF-HERUPUMHSA-N 1 0 318.751 4.089 20 5 DIBDRO C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091323 1043456367 /nfs/dbraw/zinc/45/63/67/1043456367.db2.gz GNMSTARYFUBLCC-VIFPVBQESA-N 1 0 304.312 4.066 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000872129588 1043471365 /nfs/dbraw/zinc/47/13/65/1043471365.db2.gz QIARANFNISSMLJ-WOPDTQHZSA-N 1 0 316.323 4.367 20 5 DIBDRO CCC(CC)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000521805335 1043474741 /nfs/dbraw/zinc/47/47/41/1043474741.db2.gz AYSOCRMBKSHIIS-UHFFFAOYSA-N 1 0 318.373 4.142 20 5 DIBDRO CC(C)C(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558271849 1043478361 /nfs/dbraw/zinc/47/83/61/1043478361.db2.gz LBDZJDBOFWADFZ-UHFFFAOYSA-N 1 0 302.374 4.379 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278761 1043490723 /nfs/dbraw/zinc/49/07/23/1043490723.db2.gz ZXVMWMRDZVAPBG-GOEBONIOSA-N 1 0 318.417 4.079 20 5 DIBDRO CC(C)(C)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000522196548 1043574056 /nfs/dbraw/zinc/57/40/56/1043574056.db2.gz HMURIWFOCZEWDE-UHFFFAOYSA-N 1 0 319.430 4.244 20 5 DIBDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267470506 1043578665 /nfs/dbraw/zinc/57/86/65/1043578665.db2.gz XRWYWBDSPRLNGN-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)F)cc1 ZINC000558741330 1043587127 /nfs/dbraw/zinc/58/71/27/1043587127.db2.gz TVRMRKMYDXGZAP-UHFFFAOYSA-N 1 0 320.339 4.207 20 5 DIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000522268434 1043595089 /nfs/dbraw/zinc/59/50/89/1043595089.db2.gz DCESPDLRAUYVLV-UHFFFAOYSA-N 1 0 324.833 4.374 20 5 DIBDRO CC[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353953619 1043664821 /nfs/dbraw/zinc/66/48/21/1043664821.db2.gz GQZQLSSPHWSHBP-CYBMUJFWSA-N 1 0 316.323 4.368 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000927037150 1043669774 /nfs/dbraw/zinc/66/97/74/1043669774.db2.gz LGBIERHXURFQKK-GXTWGEPZSA-N 1 0 306.431 4.064 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000927060242 1043676074 /nfs/dbraw/zinc/67/60/74/1043676074.db2.gz TYKJYILTHOWNRM-XJKSGUPXSA-N 1 0 311.385 4.026 20 5 DIBDRO C[C@H](NCc1cc(C(F)(F)F)co1)c1cccc([N+](=O)[O-])c1 ZINC000878355894 1043876388 /nfs/dbraw/zinc/87/63/88/1043876388.db2.gz ODZKGZKRDSTDPG-VIFPVBQESA-N 1 0 314.263 4.057 20 5 DIBDRO Cc1c(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000522469951 1043912498 /nfs/dbraw/zinc/91/24/98/1043912498.db2.gz XAQSJBLWICIXGN-KBXCAEBGSA-N 1 0 310.397 4.281 20 5 DIBDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291768129 1044101908 /nfs/dbraw/zinc/10/19/08/1044101908.db2.gz SLNNPLOUHMSPKP-UHFFFAOYSA-N 1 0 314.385 4.018 20 5 DIBDRO OC[C@@H](CC(F)F)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000883103758 1044219970 /nfs/dbraw/zinc/21/99/70/1044219970.db2.gz FNFYGUWWTHBHFA-OAHLLOKOSA-N 1 0 315.363 4.099 20 5 DIBDRO C[C@H]([NH2+]CC(C)(C)CC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000883260215 1044250703 /nfs/dbraw/zinc/25/07/03/1044250703.db2.gz NSHCEIVRDJVDLQ-VIFPVBQESA-N 1 0 304.312 4.066 20 5 DIBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000563502413 1044275595 /nfs/dbraw/zinc/27/55/95/1044275595.db2.gz REVPQLIUPZOALG-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000475155805 1044287404 /nfs/dbraw/zinc/28/74/04/1044287404.db2.gz KVFZOIAMOUAZIZ-ZIAGYGMSSA-N 1 0 317.389 4.040 20 5 DIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000523007810 1044297354 /nfs/dbraw/zinc/29/73/54/1044297354.db2.gz XUFWUFUVIVZWIJ-SMDDNHRTSA-N 1 0 320.389 4.173 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC000523017822 1044366478 /nfs/dbraw/zinc/36/64/78/1044366478.db2.gz JZMFRWJEHKAPCV-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000361509822 1044412459 /nfs/dbraw/zinc/41/24/59/1044412459.db2.gz DWIIUKUKSRMYJC-JKSUJKDBSA-N 1 0 314.410 4.483 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186438008 1044422972 /nfs/dbraw/zinc/42/29/72/1044422972.db2.gz VSIKPOXCGFQBRJ-OAHLLOKOSA-N 1 0 324.302 4.031 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000885941973 1044593700 /nfs/dbraw/zinc/59/37/00/1044593700.db2.gz IKDYRAYRELUUKE-OAHLLOKOSA-N 1 0 319.792 4.130 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444708410 1044611118 /nfs/dbraw/zinc/61/11/18/1044611118.db2.gz QSCUDNFBSPOHGQ-NWDGAFQWSA-N 1 0 316.323 4.239 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC4(CCC4)C3)o2)cc1 ZINC000570301577 1044747416 /nfs/dbraw/zinc/74/74/16/1044747416.db2.gz HJXKFMJBNYUSDZ-UHFFFAOYSA-N 1 0 312.369 4.231 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918706 1044750844 /nfs/dbraw/zinc/75/08/44/1044750844.db2.gz UCNZQNUALHVSSX-GUYCJALGSA-N 1 0 316.405 4.174 20 5 DIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CC[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000570419000 1044755233 /nfs/dbraw/zinc/75/52/33/1044755233.db2.gz AGFFFJQUNFOQPT-XHBKTUGNSA-N 1 0 314.385 4.228 20 5 DIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000570418990 1044756172 /nfs/dbraw/zinc/75/61/72/1044756172.db2.gz AGFFFJQUNFOQPT-BJOOFOGMSA-N 1 0 314.385 4.228 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000037562823 1044778458 /nfs/dbraw/zinc/77/84/58/1044778458.db2.gz DECGQBGYDOUALR-HNNXBMFYSA-N 1 0 308.378 4.282 20 5 DIBDRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562767 1044782193 /nfs/dbraw/zinc/78/21/93/1044782193.db2.gz OPDWFKPZPPSBAH-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(F)cc1F ZINC000570875432 1044790151 /nfs/dbraw/zinc/79/01/51/1044790151.db2.gz XPVJLIQMTFKAKQ-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000524305987 1044795908 /nfs/dbraw/zinc/79/59/08/1044795908.db2.gz JPMILFJKAVYERB-QGZVFWFLSA-N 1 0 310.397 4.365 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000524592385 1044880198 /nfs/dbraw/zinc/88/01/98/1044880198.db2.gz JLNKFJDODVCUBF-NVXWUHKLSA-N 1 0 310.397 4.281 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000524595051 1044881107 /nfs/dbraw/zinc/88/11/07/1044881107.db2.gz AFVLUNZJLXJAGM-UKRRQHHQSA-N 1 0 316.426 4.343 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000525125514 1044993107 /nfs/dbraw/zinc/99/31/07/1044993107.db2.gz USBCECBEUACLBY-NVXWUHKLSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000525125516 1044993832 /nfs/dbraw/zinc/99/38/32/1044993832.db2.gz USBCECBEUACLBY-RDJZCZTQSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000525636361 1045101688 /nfs/dbraw/zinc/10/16/88/1045101688.db2.gz SYLBAZCQRMSIFZ-JXFKEZNVSA-N 1 0 324.424 4.263 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000525640582 1045104466 /nfs/dbraw/zinc/10/44/66/1045104466.db2.gz PNMDXECDSREBSF-SFHVURJKSA-N 1 0 312.413 4.090 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H](C)C2 ZINC000577442869 1045125343 /nfs/dbraw/zinc/12/53/43/1045125343.db2.gz FWDMQLIGZHZPLW-YJYMSZOUSA-N 1 0 310.397 4.235 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)C2 ZINC000577442868 1045125665 /nfs/dbraw/zinc/12/56/65/1045125665.db2.gz FWDMQLIGZHZPLW-ORAYPTAESA-N 1 0 310.397 4.235 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cl)cc1)CCC2 ZINC000447514275 1045139857 /nfs/dbraw/zinc/13/98/57/1045139857.db2.gz COLZBRFAMGTBBH-KRWDZBQOSA-N 1 0 316.788 4.415 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)c(F)c1)CCC2 ZINC000447539558 1045143139 /nfs/dbraw/zinc/14/31/39/1045143139.db2.gz HDKOXDHDLOLVDL-QGZVFWFLSA-N 1 0 318.323 4.040 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447542698 1045143319 /nfs/dbraw/zinc/14/33/19/1045143319.db2.gz PPDDBKKNRPNDAB-YSVLISHTSA-N 1 0 320.458 4.236 20 5 DIBDRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000601297565 1045212179 /nfs/dbraw/zinc/21/21/79/1045212179.db2.gz DBMPQOQFUPJCNY-BMIGLBTASA-N 1 0 317.414 4.088 20 5 DIBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000579005829 1045288247 /nfs/dbraw/zinc/28/82/47/1045288247.db2.gz AJADSYYVYOCWMY-LBPRGKRZSA-N 1 0 320.339 4.109 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000579270049 1045303378 /nfs/dbraw/zinc/30/33/78/1045303378.db2.gz MNHQMGFDULUJIG-KGLIPLIRSA-N 1 0 313.401 4.272 20 5 DIBDRO CC[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000579376066 1045310524 /nfs/dbraw/zinc/31/05/24/1045310524.db2.gz FLOZCIXYHXQYPV-MFKMUULPSA-N 1 0 316.323 4.150 20 5 DIBDRO COc1cc(C[N@H+](Cc2cccs2)C(C)C)ccc1[N+](=O)[O-] ZINC000485809589 1045334737 /nfs/dbraw/zinc/33/47/37/1045334737.db2.gz AIDZYBOORITJCM-UHFFFAOYSA-N 1 0 320.414 4.076 20 5 DIBDRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449163030 1045356280 /nfs/dbraw/zinc/35/62/80/1045356280.db2.gz UTEAQQVBVXHKME-CHWSQXEVSA-N 1 0 318.442 4.117 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1O ZINC000190050255 1045375145 /nfs/dbraw/zinc/37/51/45/1045375145.db2.gz LXWTYGKISRUVFG-VFNWGFHPSA-N 1 0 305.421 4.196 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000449431750 1045392415 /nfs/dbraw/zinc/39/24/15/1045392415.db2.gz DQSUPOBEDHIMPT-JSGCOSHPSA-N 1 0 316.323 4.196 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000449495959 1045403282 /nfs/dbraw/zinc/40/32/82/1045403282.db2.gz PAZLSNGHKKOPTF-UNJUUPHPSA-N 1 0 310.344 4.023 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1CNC1(c2ccc(F)cc2)CCC1 ZINC000750872448 1045565792 /nfs/dbraw/zinc/56/57/92/1045565792.db2.gz NRUNWBLLVRZAGV-UHFFFAOYSA-N 1 0 318.323 4.042 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000119590909 1045581111 /nfs/dbraw/zinc/58/11/11/1045581111.db2.gz ZQVODJPTGXJVNN-INIZCTEOSA-N 1 0 320.339 4.422 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000800493131 1045631576 /nfs/dbraw/zinc/63/15/76/1045631576.db2.gz TWWHHQSSLAUXOA-HNNXBMFYSA-N 1 0 319.792 4.193 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1Cl ZINC000800526091 1045639098 /nfs/dbraw/zinc/63/90/98/1045639098.db2.gz BPKUXBSJMSRMFX-NSHDSACASA-N 1 0 318.751 4.163 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1Cl ZINC000800526089 1045639305 /nfs/dbraw/zinc/63/93/05/1045639305.db2.gz BPKUXBSJMSRMFX-LLVKDONJSA-N 1 0 318.751 4.163 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)cs1 ZINC000475672379 1045727036 /nfs/dbraw/zinc/72/70/36/1045727036.db2.gz SKQQUSNYDBOIGE-MQMHXKEQSA-N 1 0 322.817 4.346 20 5 DIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000801517762 1045728855 /nfs/dbraw/zinc/72/88/55/1045728855.db2.gz KWFQNCOKBDIOAQ-CQSZACIVSA-N 1 0 316.376 4.105 20 5 DIBDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517932 1045729581 /nfs/dbraw/zinc/72/95/81/1045729581.db2.gz YCIIQVYJAVXOBB-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCc2ccccc21 ZINC000801523280 1045730277 /nfs/dbraw/zinc/73/02/77/1045730277.db2.gz NUZDLFWERMMDGP-GOSISDBHSA-N 1 0 314.360 4.075 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)cc1F ZINC000801527927 1045731171 /nfs/dbraw/zinc/73/11/71/1045731171.db2.gz OORXIUJQJFLQAL-OAHLLOKOSA-N 1 0 306.362 4.036 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)cc1F ZINC000801521874 1045731305 /nfs/dbraw/zinc/73/13/05/1045731305.db2.gz LRQUBSJZGXVHSG-UHFFFAOYSA-N 1 0 318.323 4.042 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)cc1F ZINC000801531682 1045733348 /nfs/dbraw/zinc/73/33/48/1045733348.db2.gz SOYSLDANIAOXCP-KRWDZBQOSA-N 1 0 314.360 4.365 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1F ZINC000801530628 1045733649 /nfs/dbraw/zinc/73/36/49/1045733649.db2.gz GQPJKODTLWXROB-UHFFFAOYSA-N 1 0 320.751 4.166 20 5 DIBDRO COc1c(Cl)cccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000901653143 1045786618 /nfs/dbraw/zinc/78/66/18/1045786618.db2.gz MHRHOGUTVIVOQO-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000520173403 1045862331 /nfs/dbraw/zinc/86/23/31/1045862331.db2.gz IZYJSCKGMBPXOI-UHFFFAOYSA-N 1 0 302.349 4.146 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000531704355 1045901615 /nfs/dbraw/zinc/90/16/15/1045901615.db2.gz FRLDRBGVROUVOB-OAHLLOKOSA-N 1 0 312.413 4.093 20 5 DIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453070176 1045915676 /nfs/dbraw/zinc/91/56/76/1045915676.db2.gz MUZPTAGYOMIQAB-HUUCEWRRSA-N 1 0 313.401 4.052 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000828703758 1045928085 /nfs/dbraw/zinc/92/80/85/1045928085.db2.gz LOGCROGWZWAZQA-GWCFXTLKSA-N 1 0 317.216 4.138 20 5 DIBDRO CC(C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000754834760 1045929455 /nfs/dbraw/zinc/92/94/55/1045929455.db2.gz ZSMZASRMUDCWLE-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000453173579 1045965953 /nfs/dbraw/zinc/96/59/53/1045965953.db2.gz ZBOWEVNPIPKAPU-HUUCEWRRSA-N 1 0 313.401 4.052 20 5 DIBDRO CNc1ccc(C)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000902300498 1045968973 /nfs/dbraw/zinc/96/89/73/1045968973.db2.gz CFPXCJDVMJKDST-AWEZNQCLSA-N 1 0 313.401 4.104 20 5 DIBDRO CC(F)(F)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453214264 1045986663 /nfs/dbraw/zinc/98/66/63/1045986663.db2.gz DDDSHIOICFBGOD-MRXNPFEDSA-N 1 0 320.339 4.319 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453228127 1045994010 /nfs/dbraw/zinc/99/40/10/1045994010.db2.gz ZICNCPHAHBZKGD-GXTWGEPZSA-N 1 0 314.410 4.135 20 5 DIBDRO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453228134 1045995262 /nfs/dbraw/zinc/99/52/62/1045995262.db2.gz ZICNCPHAHBZKGD-OCCSQVGLSA-N 1 0 314.410 4.135 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000756139142 1046053770 /nfs/dbraw/zinc/05/37/70/1046053770.db2.gz QXZLKEBIYPETQN-VIFPVBQESA-N 1 0 324.730 4.459 20 5 DIBDRO Cc1ccc(C2([NH2+]Cc3cc(F)ccc3[N+](=O)[O-])CCC2)cc1 ZINC000830825711 1046102612 /nfs/dbraw/zinc/10/26/12/1046102612.db2.gz JRQPLYWGJBLNAE-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000532205430 1046108493 /nfs/dbraw/zinc/10/84/93/1046108493.db2.gz YIZPGGZQQNHNIZ-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000532236126 1046124026 /nfs/dbraw/zinc/12/40/26/1046124026.db2.gz YCYZYPMRRUUDEG-OLZOCXBDSA-N 1 0 304.415 4.186 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)s2)cc([N+](=O)[O-])c1 ZINC000903076539 1046157665 /nfs/dbraw/zinc/15/76/65/1046157665.db2.gz RRSJKRNAMFXWKP-NWDGAFQWSA-N 1 0 320.414 4.385 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000037668346 1046163191 /nfs/dbraw/zinc/16/31/91/1046163191.db2.gz QEHCPLULUZMUPQ-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccsc2)cc([N+](=O)[O-])c1 ZINC000903167515 1046182634 /nfs/dbraw/zinc/18/26/34/1046182634.db2.gz ZQCUGDIVDKVUGM-MNOVXSKESA-N 1 0 306.387 4.077 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccnc(Cl)c1 ZINC000903246375 1046206387 /nfs/dbraw/zinc/20/63/87/1046206387.db2.gz UDRSUIOTVWELLE-VXGBXAGGSA-N 1 0 319.792 4.098 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000903289606 1046223835 /nfs/dbraw/zinc/22/38/35/1046223835.db2.gz VMKHKMXLHFCAIE-NEPJUHHUSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903340060 1046250429 /nfs/dbraw/zinc/25/04/29/1046250429.db2.gz PBOBMVBLKAYUIL-FZKQIMNGSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903341013 1046253456 /nfs/dbraw/zinc/25/34/56/1046253456.db2.gz UTACHPMGHUXTNV-SCLBCKFNSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000903427634 1046276666 /nfs/dbraw/zinc/27/66/66/1046276666.db2.gz IAVIBHDZAOEWHC-UGSOOPFHSA-N 1 0 311.385 4.100 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000321499546 1046301656 /nfs/dbraw/zinc/30/16/56/1046301656.db2.gz ZVHFKTOLNSBPSZ-MEDUHNTESA-N 1 0 317.389 4.392 20 5 DIBDRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000037904139 1046367356 /nfs/dbraw/zinc/36/73/56/1046367356.db2.gz KWLBLGFELWRNOC-CYBMUJFWSA-N 1 0 302.399 4.038 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccn1 ZINC000610810426 1046373617 /nfs/dbraw/zinc/37/36/17/1046373617.db2.gz IEZAKFMOXLOHER-PBHICJAKSA-N 1 0 313.401 4.490 20 5 DIBDRO Cc1c(C[NH2+][C@H](c2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000224106138 1046424120 /nfs/dbraw/zinc/42/41/20/1046424120.db2.gz IAWYXBUYBWUBNK-INIZCTEOSA-N 1 0 302.399 4.206 20 5 DIBDRO CO[C@@H]1CC=C(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)CC1 ZINC001212882125 1046436431 /nfs/dbraw/zinc/43/64/31/1046436431.db2.gz UFMZTTKHECXBMQ-GOSISDBHSA-N 1 0 319.408 4.465 20 5 DIBDRO CC(C)c1ncc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897463954 1046438694 /nfs/dbraw/zinc/43/86/94/1046438694.db2.gz DFJUFOPOHVDLBB-LBPRGKRZSA-N 1 0 319.430 4.068 20 5 DIBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001648985346 1046440153 /nfs/dbraw/zinc/44/01/53/1046440153.db2.gz COYZDOOYPPKYBZ-KYJSFNMBSA-N 1 0 304.434 4.393 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000536552970 1046479370 /nfs/dbraw/zinc/47/93/70/1046479370.db2.gz WPFDESPKYUKTBP-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782656087 1046539754 /nfs/dbraw/zinc/53/97/54/1046539754.db2.gz PGEZYOYVVPIYOE-NSHDSACASA-N 1 0 324.730 4.315 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000834814198 1046674112 /nfs/dbraw/zinc/67/41/12/1046674112.db2.gz GLBMZVFKJIMGFE-QWRGUYRKSA-N 1 0 305.765 4.055 20 5 DIBDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000302834597 1046805780 /nfs/dbraw/zinc/80/57/80/1046805780.db2.gz VRWDGGIUKWANID-OAHLLOKOSA-N 1 0 310.397 4.396 20 5 DIBDRO Cc1cccc(OCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000797369563 1046830608 /nfs/dbraw/zinc/83/06/08/1046830608.db2.gz ZAYXRDHUFGWVRV-OAHLLOKOSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000248461381 1046845234 /nfs/dbraw/zinc/84/52/34/1046845234.db2.gz PBJXTYRIZYZBIT-QWHCGFSZSA-N 1 0 319.430 4.156 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000303236258 1046891096 /nfs/dbraw/zinc/89/10/96/1046891096.db2.gz ZVUDPXIUZGJBOZ-GOSISDBHSA-N 1 0 310.397 4.365 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cccc1[N+](=O)[O-] ZINC000303580844 1046931623 /nfs/dbraw/zinc/93/16/23/1046931623.db2.gz OVPMIAJTCKLNCQ-GOSISDBHSA-N 1 0 300.402 4.226 20 5 DIBDRO c1ccc2c(c1)cc(-c1noc(CN3CCC3)n1)c1ccccc21 ZINC001212095519 1046933117 /nfs/dbraw/zinc/93/31/17/1046933117.db2.gz LPIDALIKBYATQT-UHFFFAOYSA-N 1 0 315.376 4.249 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000536755112 1047097008 /nfs/dbraw/zinc/09/70/08/1047097008.db2.gz FTHGGQCCPJGAQC-YJBOKZPZSA-N 1 0 320.433 4.011 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CC2CC2)o1 ZINC001116017069 1047100441 /nfs/dbraw/zinc/10/04/41/1047100441.db2.gz CZNCMKZLZFPSEK-UHFFFAOYSA-N 1 0 306.749 4.008 20 5 DIBDRO C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536842503 1047108391 /nfs/dbraw/zinc/10/83/91/1047108391.db2.gz YISRIVMJJZYVLG-HNNXBMFYSA-N 1 0 310.397 4.268 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(C)o1 ZINC001116474640 1047146703 /nfs/dbraw/zinc/14/67/03/1047146703.db2.gz HCNVNUMLUGMAEL-WOLRVDTOSA-N 1 0 300.358 4.169 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001141723480 1047278992 /nfs/dbraw/zinc/27/89/92/1047278992.db2.gz ZETWQSYLRVQGLC-NHCUHLMSSA-N 1 0 303.405 4.356 20 5 DIBDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141727946 1047281191 /nfs/dbraw/zinc/28/11/91/1047281191.db2.gz IVLBTHCXPBQENM-MAUKXSAKSA-N 1 0 305.421 4.338 20 5 DIBDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237902086 1047421550 /nfs/dbraw/zinc/42/15/50/1047421550.db2.gz AVTIAIPLBONNKD-INIZCTEOSA-N 1 0 314.385 4.300 20 5 DIBDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000122049408 1047584437 /nfs/dbraw/zinc/58/44/37/1047584437.db2.gz SHXSTNZREHDWBE-LBPRGKRZSA-N 1 0 319.430 4.115 20 5 DIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192706449 1047599771 /nfs/dbraw/zinc/59/97/71/1047599771.db2.gz FXRFSIPQLGBWQV-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000348203374 1047634555 /nfs/dbraw/zinc/63/45/55/1047634555.db2.gz CEWFCVCZDNEUCO-XJKSGUPXSA-N 1 0 308.447 4.169 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000537949671 1047645427 /nfs/dbraw/zinc/64/54/27/1047645427.db2.gz QFFSLYPVRVQRGI-QGZVFWFLSA-N 1 0 320.339 4.156 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000538581947 1047689517 /nfs/dbraw/zinc/68/95/17/1047689517.db2.gz WSFQRZYHMIRCFC-NJAFHUGGSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000539379399 1047750769 /nfs/dbraw/zinc/75/07/69/1047750769.db2.gz AQSHNXUIFZEXLB-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO Nc1c2ccccc2c2ccccc2c1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159754840 1047914572 /nfs/dbraw/zinc/91/45/72/1047914572.db2.gz CHYCBNBMHYFEMY-KGLIPLIRSA-N 1 0 315.420 4.395 20 5 DIBDRO C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001183651447 1047951767 /nfs/dbraw/zinc/95/17/67/1047951767.db2.gz DTXMYANKQWHEQO-APHBMKBZSA-N 1 0 320.433 4.228 20 5 DIBDRO Nc1cc(NC2=CC[NH2+]CC2)c2ccc3cccc4ccc1c2c43 ZINC001159970875 1047959885 /nfs/dbraw/zinc/95/98/85/1047959885.db2.gz RBXPYXZYOAZOJC-UHFFFAOYSA-N 1 0 313.404 4.455 20 5 DIBDRO CC[C@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001183789763 1047967393 /nfs/dbraw/zinc/96/73/93/1047967393.db2.gz XOBJFLGVGIWFSL-GXTWGEPZSA-N 1 0 304.415 4.328 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCC1CC1)CC1CC1 ZINC001174827510 1047984108 /nfs/dbraw/zinc/98/41/08/1047984108.db2.gz SABIALFDDVTLAF-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001184047065 1047995547 /nfs/dbraw/zinc/99/55/47/1047995547.db2.gz ZWPCZYPPMGOFKF-RDJZCZTQSA-N 1 0 312.413 4.309 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)c(F)c1 ZINC000479945281 1048010757 /nfs/dbraw/zinc/01/07/57/1048010757.db2.gz AEAJIIBJFYOLAQ-OAHLLOKOSA-N 1 0 306.362 4.036 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001184865438 1048100556 /nfs/dbraw/zinc/10/05/56/1048100556.db2.gz PVELXRUTHIDFGM-HOTGVXAUSA-N 1 0 319.449 4.073 20 5 DIBDRO CC(C)CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000776025166 1048102032 /nfs/dbraw/zinc/10/20/32/1048102032.db2.gz NJEOAAWGZJRQJN-IRXDYDNUSA-N 1 0 322.449 4.069 20 5 DIBDRO CC(C)=CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000480299133 1048114569 /nfs/dbraw/zinc/11/45/69/1048114569.db2.gz AWKMJJIMFINFBA-UHFFFAOYSA-N 1 0 317.414 4.164 20 5 DIBDRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001200924021 1048157911 /nfs/dbraw/zinc/15/79/11/1048157911.db2.gz YHBYYSKKXGMKLX-HUUCEWRRSA-N 1 0 308.447 4.057 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000480718776 1048228842 /nfs/dbraw/zinc/22/88/42/1048228842.db2.gz FLYQQJPGDRURQJ-LESCRADOSA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC001162140623 1048230349 /nfs/dbraw/zinc/23/03/49/1048230349.db2.gz PAHZKGWIMDIALE-GOSISDBHSA-N 1 0 319.449 4.072 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCCO[C@H]1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000480753218 1048234804 /nfs/dbraw/zinc/23/48/04/1048234804.db2.gz AXYODICJGGXIJG-KSZLIROESA-N 1 0 320.433 4.229 20 5 DIBDRO COc1ncc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)s1 ZINC001175394371 1048295127 /nfs/dbraw/zinc/29/51/27/1048295127.db2.gz NAAYXVPTZFGERI-UHFFFAOYSA-N 1 0 322.393 4.179 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4cccc(CO)c4)cc3[nH+]c2c1 ZINC001175513924 1048348619 /nfs/dbraw/zinc/34/86/19/1048348619.db2.gz BZGCKTIGHZESHN-UHFFFAOYSA-N 1 0 315.376 4.206 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC001175643703 1048389439 /nfs/dbraw/zinc/38/94/39/1048389439.db2.gz ZFZGFOIHHYSCNO-SFHVURJKSA-N 1 0 318.417 4.148 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001175613227 1048395425 /nfs/dbraw/zinc/39/54/25/1048395425.db2.gz WZWDQFVZHCHXQU-KRWDZBQOSA-N 1 0 302.418 4.305 20 5 DIBDRO c1ccc2c(c1)nc(N[C@@]13CCC[C@@H]1[NH2+]CC3)c1ccccc21 ZINC001162987329 1048398949 /nfs/dbraw/zinc/39/89/49/1048398949.db2.gz DOONQMSPPRKBHQ-AZUAARDMSA-N 1 0 303.409 4.085 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](CC(C)C)c2ccccn2)cc1[N+](=O)[O-] ZINC000776251714 1048465417 /nfs/dbraw/zinc/46/54/17/1048465417.db2.gz VJSYOPKLXQWAGQ-KRWDZBQOSA-N 1 0 313.401 4.175 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc2ccccc2s1 ZINC001202227834 1048488182 /nfs/dbraw/zinc/48/81/82/1048488182.db2.gz OUJCMCMOHWLJIW-UHFFFAOYSA-N 1 0 312.394 4.142 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)c1 ZINC000481815700 1048494645 /nfs/dbraw/zinc/49/46/45/1048494645.db2.gz NYDUFLAZKPHYFT-GJZGRUSLSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000481837738 1048501158 /nfs/dbraw/zinc/50/11/58/1048501158.db2.gz PVFBARGCAYPVDG-ZFWWWQNUSA-N 1 0 314.360 4.160 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000159544220 1048570536 /nfs/dbraw/zinc/57/05/36/1048570536.db2.gz GAGKLFBKDPIAAC-SGTLLEGYSA-N 1 0 314.360 4.462 20 5 DIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000850312174 1048632773 /nfs/dbraw/zinc/63/27/73/1048632773.db2.gz BSBXBAYVOHGNIM-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000482648173 1048653058 /nfs/dbraw/zinc/65/30/58/1048653058.db2.gz DEYXRJGXONJOAO-AWEZNQCLSA-N 1 0 323.396 4.360 20 5 DIBDRO CC[C@@H]([NH2+]CCCc1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000157310914 1048720154 /nfs/dbraw/zinc/72/01/54/1048720154.db2.gz MFSSFVKKNNRLJY-OAHLLOKOSA-N 1 0 319.430 4.033 20 5 DIBDRO CC1CCC([N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)CC1 ZINC001190398812 1048725602 /nfs/dbraw/zinc/72/56/02/1048725602.db2.gz BRVYWTPUMIUMTK-UHFFFAOYSA-N 1 0 306.381 4.277 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2C2CCCCC2)c(F)c1 ZINC001190399011 1048727085 /nfs/dbraw/zinc/72/70/85/1048727085.db2.gz GKPKMHCXSMBFLR-KRWDZBQOSA-N 1 0 324.371 4.418 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483122897 1048740644 /nfs/dbraw/zinc/74/06/44/1048740644.db2.gz OLSHNZXQCQKKFL-DZGCQCFKSA-N 1 0 314.360 4.284 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC12CCCCC2 ZINC001176760881 1048789953 /nfs/dbraw/zinc/78/99/53/1048789953.db2.gz JEVTYKVQOGIPRP-YOEHRIQHSA-N 1 0 318.417 4.046 20 5 DIBDRO CCC[C@@H]([NH2+][C@H](CC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000483713835 1048850752 /nfs/dbraw/zinc/85/07/52/1048850752.db2.gz SSXWNLVQVNZEME-QZTJIDSGSA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc2c([nH+]1)CCCC2 ZINC001203565687 1048930995 /nfs/dbraw/zinc/93/09/95/1048930995.db2.gz IKAHMAKLQRWZCV-UHFFFAOYSA-N 1 0 311.385 4.098 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(F)c3ccccc23)cc1 ZINC001177737062 1048936600 /nfs/dbraw/zinc/93/66/00/1048936600.db2.gz JCVFOGGNXCGBOF-UHFFFAOYSA-N 1 0 324.355 4.219 20 5 DIBDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000484465550 1048941975 /nfs/dbraw/zinc/94/19/75/1048941975.db2.gz HWXPGLNWEFAHRB-JGGQBBKZSA-N 1 0 308.447 4.310 20 5 DIBDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000484480401 1048949768 /nfs/dbraw/zinc/94/97/68/1048949768.db2.gz NMEVLCBEQZVMRP-JGGQBBKZSA-N 1 0 308.447 4.310 20 5 DIBDRO Cc1c(Cl)cccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001203658644 1048951011 /nfs/dbraw/zinc/95/10/11/1048951011.db2.gz QGBFRJLSOWUDML-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC001191454647 1048954971 /nfs/dbraw/zinc/95/49/71/1048954971.db2.gz OXEIRVINAZWUBC-ZDUSSCGKSA-N 1 0 306.406 4.002 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC001191454634 1048955493 /nfs/dbraw/zinc/95/54/93/1048955493.db2.gz OXEIRVINAZWUBC-CYBMUJFWSA-N 1 0 306.406 4.002 20 5 DIBDRO Cc1cc(C)c(/C=C\C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001178611104 1049067626 /nfs/dbraw/zinc/06/76/26/1049067626.db2.gz WQOUECIAKZKYDI-VURMDHGXSA-N 1 0 324.424 4.366 20 5 DIBDRO CC(C)([NH3+])c1ccc(NCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000904470058 1049074297 /nfs/dbraw/zinc/07/42/97/1049074297.db2.gz GCYYKPDYAAYTDP-UHFFFAOYSA-N 1 0 319.792 4.054 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCC[C@H]1CC ZINC001178824285 1049097222 /nfs/dbraw/zinc/09/72/22/1049097222.db2.gz XWORSLWUEJGFNX-CABCVRRESA-N 1 0 320.433 4.300 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC001179044714 1049121943 /nfs/dbraw/zinc/12/19/43/1049121943.db2.gz OPAIMYGMTBRRFG-SJLPKXTDSA-N 1 0 320.433 4.156 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001179169179 1049139947 /nfs/dbraw/zinc/13/99/47/1049139947.db2.gz SIMJHSGGESCTAI-VYDXJSESSA-N 1 0 302.418 4.244 20 5 DIBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001192881128 1049150172 /nfs/dbraw/zinc/15/01/72/1049150172.db2.gz PCCXQARCBNEDPN-AWEZNQCLSA-N 1 0 308.378 4.345 20 5 DIBDRO COC(OC)[C@H](C)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001179430336 1049164612 /nfs/dbraw/zinc/16/46/12/1049164612.db2.gz XXQYVWJSULNYIQ-AWEZNQCLSA-N 1 0 309.409 4.090 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC001179685855 1049191822 /nfs/dbraw/zinc/19/18/22/1049191822.db2.gz RDDAAFPGEVHQTJ-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001204584337 1049194044 /nfs/dbraw/zinc/19/40/44/1049194044.db2.gz ABEHIROHFDQOFF-KVVHSQDJSA-N 1 0 322.408 4.488 20 5 DIBDRO C[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001193517165 1049221341 /nfs/dbraw/zinc/22/13/41/1049221341.db2.gz OOZGICZLKQYUSZ-NSHDSACASA-N 1 0 316.323 4.236 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccccc1F ZINC001204714697 1049237963 /nfs/dbraw/zinc/23/79/63/1049237963.db2.gz YHAUMPOGZZXTCW-GXDHUFHOSA-N 1 0 314.360 4.269 20 5 DIBDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001179980510 1049244638 /nfs/dbraw/zinc/24/46/38/1049244638.db2.gz QXYDNLCRLQENKM-NSHDSACASA-N 1 0 318.339 4.482 20 5 DIBDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001180165802 1049305135 /nfs/dbraw/zinc/30/51/35/1049305135.db2.gz JTXQNZZKDKHZBH-SECBINFHSA-N 1 0 305.205 4.378 20 5 DIBDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001204975846 1049329641 /nfs/dbraw/zinc/32/96/41/1049329641.db2.gz MMDNJRPMVPJAJC-AUUYWEPGSA-N 1 0 310.397 4.051 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173402825 1049329862 /nfs/dbraw/zinc/32/98/62/1049329862.db2.gz BYGQMKQZPZLOHI-NXEZZACHSA-N 1 0 324.302 4.424 20 5 DIBDRO Cc1ccsc1C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485738918 1049329980 /nfs/dbraw/zinc/32/99/80/1049329980.db2.gz PSPBKJZJQRIMRZ-ZDUSSCGKSA-N 1 0 304.415 4.466 20 5 DIBDRO C[C@@H]1CCC[C@H](C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001180349667 1049342788 /nfs/dbraw/zinc/34/27/88/1049342788.db2.gz NZKURLHDOYROBW-OLZOCXBDSA-N 1 0 310.825 4.207 20 5 DIBDRO Cc1c(C[NH+]2CCC(c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000485985034 1049373046 /nfs/dbraw/zinc/37/30/46/1049373046.db2.gz BCZXCVMNVFPYSI-UHFFFAOYSA-N 1 0 316.426 4.344 20 5 DIBDRO Cc1ccccc1CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001194633735 1049401472 /nfs/dbraw/zinc/40/14/72/1049401472.db2.gz YDNLPAVJXXTYSK-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001180850420 1049412448 /nfs/dbraw/zinc/41/24/48/1049412448.db2.gz YMEOZEMRQUSNPL-HOCLYGCPSA-N 1 0 304.434 4.332 20 5 DIBDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001194790967 1049422592 /nfs/dbraw/zinc/42/25/92/1049422592.db2.gz AVJDAYMLKVTAKP-LSDHHAIUSA-N 1 0 320.433 4.120 20 5 DIBDRO CC1(C)CC(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001180953337 1049423469 /nfs/dbraw/zinc/42/34/69/1049423469.db2.gz PBSYSRYYVIUYRD-WBVHZDCISA-N 1 0 316.445 4.332 20 5 DIBDRO CCCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001194873997 1049440360 /nfs/dbraw/zinc/44/03/60/1049440360.db2.gz NLQUJVOMAMSJGV-AWEZNQCLSA-N 1 0 308.422 4.393 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001181457697 1049479085 /nfs/dbraw/zinc/47/90/85/1049479085.db2.gz QRRDSOZYRTYAAM-RTBURBONSA-N 1 0 324.424 4.453 20 5 DIBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001195429018 1049531386 /nfs/dbraw/zinc/53/13/86/1049531386.db2.gz ZDAJUEJCEWKXAD-BBRMVZONSA-N 1 0 320.408 4.382 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2CC2CCCC2)cc1 ZINC001195639593 1049549616 /nfs/dbraw/zinc/54/96/16/1049549616.db2.gz WEAITRJDJCONNT-GOSISDBHSA-N 1 0 302.418 4.182 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(Cl)c1 ZINC001205754992 1049553669 /nfs/dbraw/zinc/55/36/69/1049553669.db2.gz AVRZIEXMTOIUKP-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c(F)c1 ZINC001195894707 1049578205 /nfs/dbraw/zinc/57/82/05/1049578205.db2.gz XOKIUNYMUMLIPI-ZDUSSCGKSA-N 1 0 324.371 4.275 20 5 DIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC001196159410 1049626265 /nfs/dbraw/zinc/62/62/65/1049626265.db2.gz QUPNFHRVBIUZJB-UHFFFAOYSA-N 1 0 316.376 4.189 20 5 DIBDRO CCC[C@@H]1CCCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001182371023 1049636784 /nfs/dbraw/zinc/63/67/84/1049636784.db2.gz YCAQXDDCVNDONI-SJORKVTESA-N 1 0 304.434 4.333 20 5 DIBDRO CC[N@H+](CCc1cccs1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488322705 1049637470 /nfs/dbraw/zinc/63/74/70/1049637470.db2.gz KNMRYMWJIWMIDN-ZDUSSCGKSA-N 1 0 304.415 4.282 20 5 DIBDRO CC[C@H]1CCCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001206055737 1049642756 /nfs/dbraw/zinc/64/27/56/1049642756.db2.gz MBSRRLLURPRULW-STQMWFEESA-N 1 0 317.389 4.042 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC001206098014 1049653619 /nfs/dbraw/zinc/65/36/19/1049653619.db2.gz BHXBPRYTEBVWRV-IBGZPJMESA-N 1 0 310.397 4.113 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000488445738 1049656670 /nfs/dbraw/zinc/65/66/70/1049656670.db2.gz RZEMVJYIMAOUKD-NOLJZWGESA-N 1 0 322.474 4.474 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC001196490460 1049666657 /nfs/dbraw/zinc/66/66/57/1049666657.db2.gz YAIZXEHVCVJSOK-ZUJMUWTESA-N 1 0 308.397 4.471 20 5 DIBDRO C/C=C\C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001196605581 1049675007 /nfs/dbraw/zinc/67/50/07/1049675007.db2.gz NJCUSZACBXIUND-ZRMMWKCHSA-N 1 0 308.809 4.426 20 5 DIBDRO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001196604793 1049675255 /nfs/dbraw/zinc/67/52/55/1049675255.db2.gz ISBPYWSTBNPEPV-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO N[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1F ZINC001206174161 1049675808 /nfs/dbraw/zinc/67/58/08/1049675808.db2.gz MAEKKDHQUCQJIH-RTWAWAEBSA-N 1 0 322.427 4.254 20 5 DIBDRO CC[N@H+](Cc1cccc(F)c1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000488572491 1049677703 /nfs/dbraw/zinc/67/77/03/1049677703.db2.gz WYQRZNBCAKAZEU-CYBMUJFWSA-N 1 0 302.349 4.317 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001206239188 1049686793 /nfs/dbraw/zinc/68/67/93/1049686793.db2.gz AYWJRFAKMKSLFF-YOEHRIQHSA-N 1 0 304.434 4.474 20 5 DIBDRO C[NH+](C)CCn1cc(-c2ccc3ccc4ccccc4c3c2)cn1 ZINC001206353426 1049719820 /nfs/dbraw/zinc/71/98/20/1049719820.db2.gz OOXZBUXQHOUVGD-UHFFFAOYSA-N 1 0 315.420 4.418 20 5 DIBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001197240043 1049731306 /nfs/dbraw/zinc/73/13/06/1049731306.db2.gz RYWODKGFISSZFN-KRWDZBQOSA-N 1 0 306.381 4.279 20 5 DIBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001197240116 1049731445 /nfs/dbraw/zinc/73/14/45/1049731445.db2.gz SWMTXUWCFGGDGY-KRWDZBQOSA-N 1 0 306.381 4.279 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000489157240 1049732024 /nfs/dbraw/zinc/73/20/24/1049732024.db2.gz NTWFQVCNHZTUNU-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000590259695 1049745921 /nfs/dbraw/zinc/74/59/21/1049745921.db2.gz URTPSRRCQSHLMI-JVPBZIDWSA-N 1 0 310.397 4.439 20 5 DIBDRO Nc1cc(Nc2c(N)c3ccccc3c3ccccc32)cc[nH+]1 ZINC001206569048 1049759784 /nfs/dbraw/zinc/75/97/84/1049759784.db2.gz VAEDQUKRZQNOKE-UHFFFAOYSA-N 1 0 300.365 4.296 20 5 DIBDRO C[C@H](CCc1ccccc1F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001207535719 1049907030 /nfs/dbraw/zinc/90/70/30/1049907030.db2.gz LTCHASFURGRKMY-KGLIPLIRSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc2O1 ZINC000572661906 1050038753 /nfs/dbraw/zinc/03/87/53/1050038753.db2.gz VSDMVHNBOQEGST-OAUYIBNBSA-N 1 0 324.380 4.084 20 5 DIBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000591553719 1050176693 /nfs/dbraw/zinc/17/66/93/1050176693.db2.gz HQHZJMYFEPDNTH-NSHDSACASA-N 1 0 306.312 4.066 20 5 DIBDRO O=[N+]([O-])c1cccc(Nc2ccccc2C[NH+]2CCCC2)c1F ZINC001210379790 1050225427 /nfs/dbraw/zinc/22/54/27/1050225427.db2.gz JNCQSOXCLYRETI-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000592184358 1050291312 /nfs/dbraw/zinc/29/13/12/1050291312.db2.gz PAMQYHOWGBCOGJ-UHFFFAOYSA-N 1 0 316.788 4.417 20 5 DIBDRO OC[C@@H]1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000771928162 1050295502 /nfs/dbraw/zinc/29/55/02/1050295502.db2.gz QBJMGGZYJQQNTF-MRXNPFEDSA-N 1 0 305.421 4.197 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(F)CC1 ZINC000592399615 1050380803 /nfs/dbraw/zinc/38/08/03/1050380803.db2.gz OQIDXOAFOMYWNM-HLIUYOAVSA-N 1 0 308.397 4.034 20 5 DIBDRO C[C@H]([NH2+]C1(c2ccccc2F)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000592397102 1050381805 /nfs/dbraw/zinc/38/18/05/1050381805.db2.gz RKHBLDGBBAUBQW-ZDUSSCGKSA-N 1 0 314.360 4.464 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441399 1050426302 /nfs/dbraw/zinc/42/63/02/1050426302.db2.gz MRLKCSHFHJGCIJ-DOMZBBRYSA-N 1 0 310.344 4.085 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(F)F ZINC000829235672 1050506532 /nfs/dbraw/zinc/50/65/32/1050506532.db2.gz CPIITLPAVCXMDF-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCSC(C)(C)C ZINC000786812398 1050522753 /nfs/dbraw/zinc/52/27/53/1050522753.db2.gz HHMXLWDQUSNJAF-JLHYYAGUSA-N 1 0 308.447 4.119 20 5 DIBDRO COc1c(C)cccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000594512613 1050524692 /nfs/dbraw/zinc/52/46/92/1050524692.db2.gz XGTVBJJFNBVWRX-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc(C)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000594508479 1050526276 /nfs/dbraw/zinc/52/62/76/1050526276.db2.gz CFUXLXAJXYBYQV-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000594927143 1050565364 /nfs/dbraw/zinc/56/53/64/1050565364.db2.gz YHMMNEUPORHROT-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000594977345 1050572210 /nfs/dbraw/zinc/57/22/10/1050572210.db2.gz KNVZUUWIZONRIJ-JQVXPOPVSA-N 1 0 310.344 4.023 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594952352 1050582094 /nfs/dbraw/zinc/58/20/94/1050582094.db2.gz CVIJFNWQKNPAST-AWEZNQCLSA-N 1 0 313.401 4.007 20 5 DIBDRO CSCC1(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000594962225 1050583041 /nfs/dbraw/zinc/58/30/41/1050583041.db2.gz DDYLPNFPQYJEFC-GXDHUFHOSA-N 1 0 320.458 4.121 20 5 DIBDRO CC(C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000746666191 1050584341 /nfs/dbraw/zinc/58/43/41/1050584341.db2.gz OFBIARBRCQSZOM-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000595016255 1050586531 /nfs/dbraw/zinc/58/65/31/1050586531.db2.gz JGZGRPDHKSVXHU-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000059402413 1050590664 /nfs/dbraw/zinc/59/06/64/1050590664.db2.gz PMTKRRIUFJPZJP-SFHVURJKSA-N 1 0 314.360 4.114 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)F)nc1 ZINC000595007101 1050592900 /nfs/dbraw/zinc/59/29/00/1050592900.db2.gz JKGQJZUVXNKZNJ-WDEREUQCSA-N 1 0 321.327 4.339 20 5 DIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595030215 1050597980 /nfs/dbraw/zinc/59/79/80/1050597980.db2.gz YWTCRBLMCUNTDX-LBPRGKRZSA-N 1 0 314.376 4.187 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000595072477 1050599394 /nfs/dbraw/zinc/59/93/94/1050599394.db2.gz KKWZQLYJXIMIQR-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(F)F ZINC000595032810 1050600679 /nfs/dbraw/zinc/60/06/79/1050600679.db2.gz LASJLOSMRRKNJR-SECBINFHSA-N 1 0 320.767 4.060 20 5 DIBDRO COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000595106279 1050607389 /nfs/dbraw/zinc/60/73/89/1050607389.db2.gz RRKHSEGKMMIVGL-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CC[C@H](CC(F)F)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595351793 1050628691 /nfs/dbraw/zinc/62/86/91/1050628691.db2.gz HSJDOTYCIMLEAH-GFCCVEGCSA-N 1 0 312.360 4.241 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000595368511 1050630564 /nfs/dbraw/zinc/63/05/64/1050630564.db2.gz ILBFKPJRIDQWHY-SFHVURJKSA-N 1 0 314.360 4.365 20 5 DIBDRO COc1ccc([C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000595413756 1050631361 /nfs/dbraw/zinc/63/13/61/1050631361.db2.gz HEOQGLOOFGOKNI-KGLIPLIRSA-N 1 0 314.385 4.058 20 5 DIBDRO CSc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000595420502 1050632581 /nfs/dbraw/zinc/63/25/81/1050632581.db2.gz GRTDETPLGKNEJY-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO CC[C@@H](CC(F)F)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595405605 1050635596 /nfs/dbraw/zinc/63/55/96/1050635596.db2.gz YSSGDULPFACIBB-LBPRGKRZSA-N 1 0 312.360 4.241 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595477002 1050636040 /nfs/dbraw/zinc/63/60/40/1050636040.db2.gz VCTCATNVOVEWIC-NSHDSACASA-N 1 0 320.389 4.307 20 5 DIBDRO CSc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000595511186 1050636961 /nfs/dbraw/zinc/63/69/61/1050636961.db2.gz OHKYAWVWRRRTRB-UHFFFAOYSA-N 1 0 316.426 4.342 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000846055549 1050660185 /nfs/dbraw/zinc/66/01/85/1050660185.db2.gz NDYKJVYGBFNAKM-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000595692720 1050660783 /nfs/dbraw/zinc/66/07/83/1050660783.db2.gz QWAXJOAJIKVLCI-KRWDZBQOSA-N 1 0 302.349 4.221 20 5 DIBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788469487 1050684815 /nfs/dbraw/zinc/68/48/15/1050684815.db2.gz FTLDIJCAILCKRH-NSHDSACASA-N 1 0 306.312 4.066 20 5 DIBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000596061626 1050686348 /nfs/dbraw/zinc/68/63/48/1050686348.db2.gz BRFSNXWIMSOYGL-FNORWQNLSA-N 1 0 316.323 4.176 20 5 DIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000788479584 1050687962 /nfs/dbraw/zinc/68/79/62/1050687962.db2.gz WRJIDIRMODKOTB-QGZVFWFLSA-N 1 0 314.360 4.379 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846186203 1050688340 /nfs/dbraw/zinc/68/83/40/1050688340.db2.gz AUDZWRWGKJQNJO-GLQYFDAESA-N 1 0 314.788 4.259 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846187464 1050690272 /nfs/dbraw/zinc/69/02/72/1050690272.db2.gz GINADBNUVVSQGC-CQDKDKBSSA-N 1 0 314.788 4.259 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788502924 1050692197 /nfs/dbraw/zinc/69/21/97/1050692197.db2.gz LJHQOSKEKFHBLJ-DYVFJYSZSA-N 1 0 313.401 4.369 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000788496696 1050692486 /nfs/dbraw/zinc/69/24/86/1050692486.db2.gz AOKNYUFQOQIGKT-GHMZBOCLSA-N 1 0 319.792 4.242 20 5 DIBDRO Cc1ccc(Nc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC001213667046 1050713699 /nfs/dbraw/zinc/71/36/99/1050713699.db2.gz JDRJQYZGVVVVBL-UHFFFAOYSA-N 1 0 311.385 4.243 20 5 DIBDRO CCC(CC)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)SC ZINC000766276671 1050739959 /nfs/dbraw/zinc/73/99/59/1050739959.db2.gz JGWRCUXBWHAGOV-CYBMUJFWSA-N 1 0 310.463 4.476 20 5 DIBDRO CC(C)(C)SCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000772950543 1050741041 /nfs/dbraw/zinc/74/10/41/1050741041.db2.gz NBEWMVLETABAIJ-HNNXBMFYSA-N 1 0 322.474 4.037 20 5 DIBDRO CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)[C@@H](C)C(C)C ZINC000742549868 1050885324 /nfs/dbraw/zinc/88/53/24/1050885324.db2.gz FZAYOKQMMPAZNI-NSHDSACASA-N 1 0 323.418 4.196 20 5 DIBDRO Cc1ccc2oc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc2c1 ZINC000790995928 1051015663 /nfs/dbraw/zinc/01/56/63/1051015663.db2.gz DYNIHQYFBQVNHM-UHFFFAOYSA-N 1 0 310.353 4.248 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CSC(C)(C)C)cc1[N+](=O)[O-] ZINC000773046464 1051038007 /nfs/dbraw/zinc/03/80/07/1051038007.db2.gz LWQSFTHKPAIAFQ-OLZOCXBDSA-N 1 0 310.463 4.474 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170305357 1051179827 /nfs/dbraw/zinc/17/98/27/1051179827.db2.gz JPAGEPOXBKQWRJ-UONOGXRCSA-N 1 0 320.433 4.093 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)CC2CCC2)c([N+](=O)[O-])c1 ZINC001170323851 1051184958 /nfs/dbraw/zinc/18/49/58/1051184958.db2.gz MRLRGRLZSBJYHB-CYBMUJFWSA-N 1 0 320.433 4.093 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170324678 1051185484 /nfs/dbraw/zinc/18/54/84/1051185484.db2.gz SANKHCSSIOOGSW-SUMWQHHRSA-N 1 0 320.433 4.093 20 5 DIBDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC001170329577 1051186243 /nfs/dbraw/zinc/18/62/43/1051186243.db2.gz RSAOZZHVRLRILC-CQSZACIVSA-N 1 0 320.433 4.189 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000792924322 1051229396 /nfs/dbraw/zinc/22/93/96/1051229396.db2.gz IKAORFUPYNPSBS-UHFFFAOYSA-N 1 0 302.349 4.101 20 5 DIBDRO CCOc1cc(C[NH+]2CCC(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001171841583 1051230096 /nfs/dbraw/zinc/23/00/96/1051230096.db2.gz QDQRYRGMJIMMTH-UHFFFAOYSA-N 1 0 318.417 4.006 20 5 DIBDRO C[C@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C ZINC001170426834 1051254480 /nfs/dbraw/zinc/25/44/80/1051254480.db2.gz YLBZQAKUODKZBY-ZBFHGGJFSA-N 1 0 304.434 4.456 20 5 DIBDRO Cc1c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc(F)cc1[N+](=O)[O-] ZINC001170450510 1051400887 /nfs/dbraw/zinc/40/08/87/1051400887.db2.gz KLOFABPAYNJEGN-UHFFFAOYSA-N 1 0 323.412 4.106 20 5 DIBDRO CCC[C@H]([NH2+]CCNc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000766514595 1051453998 /nfs/dbraw/zinc/45/39/98/1051453998.db2.gz IIWKPIASYBNDGS-SFHVURJKSA-N 1 0 313.401 4.138 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc2ccccc21 ZINC001168984630 1051478763 /nfs/dbraw/zinc/47/87/63/1051478763.db2.gz PGPQDIJLJPSHKE-ALKREAHSSA-N 1 0 312.413 4.326 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc2ccccc21 ZINC001168984632 1051479225 /nfs/dbraw/zinc/47/92/25/1051479225.db2.gz PGPQDIJLJPSHKE-OGWOLHLISA-N 1 0 312.413 4.326 20 5 DIBDRO CCCCC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169004129 1051484809 /nfs/dbraw/zinc/48/48/09/1051484809.db2.gz PZMMLKQEXUGJKS-RYQLBKOJSA-N 1 0 304.434 4.343 20 5 DIBDRO CCCCC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169004124 1051485735 /nfs/dbraw/zinc/48/57/35/1051485735.db2.gz PZMMLKQEXUGJKS-BPQIPLTHSA-N 1 0 304.434 4.343 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+](C2CCCCC2)C2CCCCC2)C1 ZINC001169007652 1051487037 /nfs/dbraw/zinc/48/70/37/1051487037.db2.gz OXIOANXJAGETIR-MAUKXSAKSA-N 1 0 308.466 4.399 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001168988366 1051491446 /nfs/dbraw/zinc/49/14/46/1051491446.db2.gz RHJBAVQIVYUDDS-GMTAPVOTSA-N 1 0 317.216 4.089 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCCCCC1)CC2 ZINC001172897995 1051550567 /nfs/dbraw/zinc/55/05/67/1051550567.db2.gz HEAYKOZYLSTDKG-QGZVFWFLSA-N 1 0 302.418 4.155 20 5 DIBDRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901979 1051551189 /nfs/dbraw/zinc/55/11/89/1051551189.db2.gz RXYGXEUESLAOSL-PBHICJAKSA-N 1 0 304.434 4.257 20 5 DIBDRO CC1(C)CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172901134 1051551236 /nfs/dbraw/zinc/55/12/36/1051551236.db2.gz GZEIQZFQUZQOFO-CVEARBPZSA-N 1 0 302.418 4.011 20 5 DIBDRO CC(C)(CC1CCC1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903781 1051554638 /nfs/dbraw/zinc/55/46/38/1051554638.db2.gz ILOGJMNHFGLVTN-QGZVFWFLSA-N 1 0 316.445 4.401 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCCCc1ccc(C)nc1 ZINC001169259120 1051564506 /nfs/dbraw/zinc/56/45/06/1051564506.db2.gz DIVYHITUPMTACE-UHFFFAOYSA-N 1 0 312.481 4.031 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccs1 ZINC001172895631 1051568499 /nfs/dbraw/zinc/56/84/99/1051568499.db2.gz GSDQIMFMBVHFGY-DOMZBBRYSA-N 1 0 316.426 4.255 20 5 DIBDRO CC1(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCC1 ZINC001172896097 1051568880 /nfs/dbraw/zinc/56/88/80/1051568880.db2.gz LLUJOIDIFKSOAH-INIZCTEOSA-N 1 0 302.418 4.012 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]3CCC[C@H]31)CC2 ZINC001172916062 1051570951 /nfs/dbraw/zinc/57/09/51/1051570951.db2.gz QJIGORVIXBLBOA-KVSKMBFKSA-N 1 0 314.429 4.107 20 5 DIBDRO CC[C@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911663 1051580212 /nfs/dbraw/zinc/58/02/12/1051580212.db2.gz DSSUQMAUWRJXSY-DLBZAZTESA-N 1 0 302.418 4.107 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)CC2 ZINC001172910790 1051580316 /nfs/dbraw/zinc/58/03/16/1051580316.db2.gz DEXWJINAOGEEFL-GJZGRUSLSA-N 1 0 324.371 4.010 20 5 DIBDRO CC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761507031 1051582674 /nfs/dbraw/zinc/58/26/74/1051582674.db2.gz RHXWKODWMZOYBQ-UHFFFAOYSA-N 1 0 310.806 4.332 20 5 DIBDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761524068 1051584836 /nfs/dbraw/zinc/58/48/36/1051584836.db2.gz SUNGGJHVNUMILT-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761515429 1051586838 /nfs/dbraw/zinc/58/68/38/1051586838.db2.gz LGBADPYBBRDWSA-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1cccs1 ZINC000761528039 1051589013 /nfs/dbraw/zinc/58/90/13/1051589013.db2.gz XSDBCAFIAPBLBG-LLVKDONJSA-N 1 0 324.833 4.278 20 5 DIBDRO CC(C)CSCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528226 1051589093 /nfs/dbraw/zinc/58/90/93/1051589093.db2.gz VWTKEECYOIVQHM-UHFFFAOYSA-N 1 0 316.854 4.117 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)cc1F ZINC001173216391 1051634577 /nfs/dbraw/zinc/63/45/77/1051634577.db2.gz IZPWVEIESBNIRI-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2ccccc21 ZINC001173217481 1051635164 /nfs/dbraw/zinc/63/51/64/1051635164.db2.gz VJIYEGITDGJWOG-HNNXBMFYSA-N 1 0 320.392 4.469 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC001173220066 1051636894 /nfs/dbraw/zinc/63/68/94/1051636894.db2.gz SOVDVAYVPRNTSX-MLGOLLRUSA-N 1 0 302.374 4.168 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001173221343 1051636944 /nfs/dbraw/zinc/63/69/44/1051636944.db2.gz MHGUZNMKJYYTJX-KDOFPFPSSA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CCCC2)C1 ZINC001173220673 1051636957 /nfs/dbraw/zinc/63/69/57/1051636957.db2.gz BTYAYCZFPBPNNN-HNNXBMFYSA-N 1 0 302.418 4.182 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ccoc2c1 ZINC001173221204 1051637288 /nfs/dbraw/zinc/63/72/88/1051637288.db2.gz LMEHHAPJPKVXFJ-ZDUSSCGKSA-N 1 0 310.353 4.062 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C1CCCCC1 ZINC001173220865 1051637428 /nfs/dbraw/zinc/63/74/28/1051637428.db2.gz HJEGLADULAWQDL-CQSZACIVSA-N 1 0 304.434 4.474 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001173228938 1051638208 /nfs/dbraw/zinc/63/82/08/1051638208.db2.gz OEHMIHCUYFJSOY-CRAIPNDOSA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CC2CCC2)CC1 ZINC001173225590 1051639611 /nfs/dbraw/zinc/63/96/11/1051639611.db2.gz SLWYEDFTYOZMIE-AWEZNQCLSA-N 1 0 302.418 4.086 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001173234237 1051641241 /nfs/dbraw/zinc/64/12/41/1051641241.db2.gz QHUQEBMICCKAGP-GOEBONIOSA-N 1 0 320.408 4.130 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1cccc(F)c1 ZINC001173234573 1051641574 /nfs/dbraw/zinc/64/15/74/1051641574.db2.gz PNEBNHXYXNIKJY-ZDUSSCGKSA-N 1 0 316.376 4.190 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001173234238 1051641662 /nfs/dbraw/zinc/64/16/62/1051641662.db2.gz QHUQEBMICCKAGP-HOCLYGCPSA-N 1 0 320.408 4.130 20 5 DIBDRO C[C@@H]([NH3+])c1ccc2c(ccn2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173209558 1051647123 /nfs/dbraw/zinc/64/71/23/1051647123.db2.gz CZWIHDTWYFJFBP-UONOGXRCSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001173210475 1051648927 /nfs/dbraw/zinc/64/89/27/1051648927.db2.gz LFOBORLYRCKFIX-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001173211612 1051650297 /nfs/dbraw/zinc/65/02/97/1051650297.db2.gz UIJYDBJAYSJDHT-GFCCVEGCSA-N 1 0 320.339 4.253 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(Cl)c1F ZINC001173214523 1051651148 /nfs/dbraw/zinc/65/11/48/1051651148.db2.gz ONOKMUVQOOBEOL-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001173238605 1051673677 /nfs/dbraw/zinc/67/36/77/1051673677.db2.gz WAJBBTGJOBTJJN-LIRRHRJNSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494035645 1051682330 /nfs/dbraw/zinc/68/23/30/1051682330.db2.gz ADXYMNDKUYMMDN-CYBMUJFWSA-N 1 0 309.369 4.269 20 5 DIBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccccc2C[NH+]2CCCC2)c1 ZINC001216483664 1051785309 /nfs/dbraw/zinc/78/53/09/1051785309.db2.gz FBSKBHXPKHZUCQ-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190962094 1051955809 /nfs/dbraw/zinc/95/58/09/1051955809.db2.gz SSCGJAYFDOHTEX-KGHRSKAUSA-N 1 0 323.396 4.086 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000494834448 1052146802 /nfs/dbraw/zinc/14/68/02/1052146802.db2.gz FBGHUQIQOPTCAW-NSHDSACASA-N 1 0 304.312 4.114 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001217814717 1052148192 /nfs/dbraw/zinc/14/81/92/1052148192.db2.gz UJGFHTPAHJBEDI-LFUKPOHLSA-N 1 0 303.405 4.118 20 5 DIBDRO Cc1cccc(C2=CC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001168473281 1052160980 /nfs/dbraw/zinc/16/09/80/1052160980.db2.gz BBVRORCREVSTJK-UHFFFAOYSA-N 1 0 308.381 4.193 20 5 DIBDRO F[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001217945560 1052176698 /nfs/dbraw/zinc/17/66/98/1052176698.db2.gz DPMZSURBAYYDKM-WOJBJXKFSA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001217989011 1052180914 /nfs/dbraw/zinc/18/09/14/1052180914.db2.gz LVLBKTUDLMYIAU-KUHUBIRLSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218028486 1052186606 /nfs/dbraw/zinc/18/66/06/1052186606.db2.gz VDKMZGZUIOCYPN-AUUYWEPGSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218030520 1052188324 /nfs/dbraw/zinc/18/83/24/1052188324.db2.gz RYJXRALSXFKYHC-IFXJQAMLSA-N 1 0 321.420 4.466 20 5 DIBDRO C[C@@H]1C[C@@H](Oc2c3ccccc3c(O)c3ccccc32)CC[NH2+]1 ZINC001218052129 1052189969 /nfs/dbraw/zinc/18/99/69/1052189969.db2.gz BBKMOZJKUZBQQR-KGLIPLIRSA-N 1 0 307.393 4.218 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218097249 1052196519 /nfs/dbraw/zinc/19/65/19/1052196519.db2.gz SFJSDLXASMDADW-FPOVZHCZSA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2cc3cc(O[C@H]4CSC5(C[NH2+]C5)C4)ccc3cc2c1 ZINC001218099496 1052197667 /nfs/dbraw/zinc/19/76/67/1052197667.db2.gz HSSANMTVTXLMBZ-LJQANCHMSA-N 1 0 321.445 4.219 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000495016133 1052197740 /nfs/dbraw/zinc/19/77/40/1052197740.db2.gz HFQVQOHXONCKJA-CHWSQXEVSA-N 1 0 312.360 4.461 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC001218184789 1052203078 /nfs/dbraw/zinc/20/30/78/1052203078.db2.gz PXOIOKOFPOFEKU-BJWYYQGGSA-N 1 0 304.393 4.050 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c2ccccc12 ZINC001218251266 1052212931 /nfs/dbraw/zinc/21/29/31/1052212931.db2.gz RYCXHXNOVPJRTH-KSMMKXTCSA-N 1 0 319.404 4.218 20 5 DIBDRO c1ccc2c(c1)nc(O[C@H]1CC[NH2+]C3(CCC3)C1)c1ccccc21 ZINC001218307875 1052221781 /nfs/dbraw/zinc/22/17/81/1052221781.db2.gz VOELQCXNEKWKNN-HNNXBMFYSA-N 1 0 318.420 4.442 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218310458 1052223402 /nfs/dbraw/zinc/22/34/02/1052223402.db2.gz VUTIBLTXIGNTNE-MRXNPFEDSA-N 1 0 318.420 4.442 20 5 DIBDRO C[C@H]1CC[C@@H](Oc2c3ccccc3c(O)c3ccccc32)C[NH2+]1 ZINC001218406804 1052235682 /nfs/dbraw/zinc/23/56/82/1052235682.db2.gz NRDPFZMPEQUEDK-UONOGXRCSA-N 1 0 307.393 4.218 20 5 DIBDRO CC1(C)C[C@@H](Oc2cccc3cc4ccccc4nc32)CC[NH2+]1 ZINC001218470216 1052243419 /nfs/dbraw/zinc/24/34/19/1052243419.db2.gz AFIJWBOQHRMNHZ-INIZCTEOSA-N 1 0 306.409 4.297 20 5 DIBDRO CC1(C)C[C@H](Oc2cccc3cc4ccccc4nc32)CC[NH2+]1 ZINC001218470219 1052243525 /nfs/dbraw/zinc/24/35/25/1052243525.db2.gz AFIJWBOQHRMNHZ-MRXNPFEDSA-N 1 0 306.409 4.297 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000495370018 1052324961 /nfs/dbraw/zinc/32/49/61/1052324961.db2.gz ZGBOLPJEFUZKJC-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000315405527 1052337323 /nfs/dbraw/zinc/33/73/23/1052337323.db2.gz HRTHIYXFRJGWMC-OAHLLOKOSA-N 1 0 306.406 4.052 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000193900903 1052510923 /nfs/dbraw/zinc/51/09/23/1052510923.db2.gz ZHSOPGIUEYCQEK-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193902526 1052511111 /nfs/dbraw/zinc/51/11/11/1052511111.db2.gz CJJNZLXVGPEYEO-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc(Oc2ccccc2)c1 ZINC001222825858 1052537256 /nfs/dbraw/zinc/53/72/56/1052537256.db2.gz KWQPUHSEINGFGU-INIZCTEOSA-N 1 0 300.422 4.090 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(Oc2ccccc2)cc1 ZINC001223079813 1052563292 /nfs/dbraw/zinc/56/32/92/1052563292.db2.gz QLRKLHBKPFXHNA-MRXNPFEDSA-N 1 0 300.422 4.090 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OC(Cl)(Cl)c1ccccc1Cl ZINC001223184322 1052576933 /nfs/dbraw/zinc/57/69/33/1052576933.db2.gz QHEOMEDGFANCHW-JTQLQIEISA-N 1 0 311.660 4.039 20 5 DIBDRO Cc1cccc([N+](=O)[O-])c1COC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001223536675 1052611743 /nfs/dbraw/zinc/61/17/43/1052611743.db2.gz ACYOMTZGQLBMMG-UHFFFAOYSA-N 1 0 320.433 4.071 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000763394869 1052624236 /nfs/dbraw/zinc/62/42/36/1052624236.db2.gz GDRCCIWSURMEBW-MRXNPFEDSA-N 1 0 302.761 4.025 20 5 DIBDRO Cc1cccc(COC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001223661529 1052625374 /nfs/dbraw/zinc/62/53/74/1052625374.db2.gz RNOFZDJFSZHKRG-UHFFFAOYSA-N 1 0 320.433 4.071 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000917009628 1052679568 /nfs/dbraw/zinc/67/95/68/1052679568.db2.gz HDJAXCGPQQXJQY-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000917053300 1052683800 /nfs/dbraw/zinc/68/38/00/1052683800.db2.gz ZQGBXLLNFLWDNH-PVUWLOKVSA-N 1 0 306.381 4.135 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000917067834 1052690954 /nfs/dbraw/zinc/69/09/54/1052690954.db2.gz WRLRGWYHSLFQNK-MRXNPFEDSA-N 1 0 306.381 4.279 20 5 DIBDRO C[C@@H](OCCC[N+](C)(C)C)c1c(Cl)ccc(F)c1Cl ZINC001224619790 1052710733 /nfs/dbraw/zinc/71/07/33/1052710733.db2.gz QPVIDFKULRNEDO-SNVBAGLBSA-N 1 0 309.232 4.306 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000609281022 1052804613 /nfs/dbraw/zinc/80/46/13/1052804613.db2.gz YWQHLJZETUGJRE-KRWDZBQOSA-N 1 0 310.397 4.050 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000556444706 1052851531 /nfs/dbraw/zinc/85/15/31/1052851531.db2.gz USTCDUOIRFEGSV-MPGHIAIKSA-N 1 0 320.433 4.005 20 5 DIBDRO Cc1ccc(O[C@@H](CC[NH+](C)C)c2cccs2)cc1[N+](=O)[O-] ZINC001226951378 1052947681 /nfs/dbraw/zinc/94/76/81/1052947681.db2.gz ZPQNLCMOXHQXPK-HNNXBMFYSA-N 1 0 320.414 4.037 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001226995682 1052952491 /nfs/dbraw/zinc/95/24/91/1052952491.db2.gz NJIIVTHPZCZRGL-AWEZNQCLSA-N 1 0 320.414 4.037 20 5 DIBDRO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350571 1052977389 /nfs/dbraw/zinc/97/73/89/1052977389.db2.gz MTPOTFMBBQDIHI-UHFFFAOYSA-N 1 0 302.349 4.145 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000609544980 1052982589 /nfs/dbraw/zinc/98/25/89/1052982589.db2.gz HFILIRPXSXDXCF-ZWKOTPCHSA-N 1 0 310.397 4.329 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000609544978 1052982773 /nfs/dbraw/zinc/98/27/73/1052982773.db2.gz HFILIRPXSXDXCF-QZTJIDSGSA-N 1 0 310.397 4.329 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1nc2c(cc(Cl)cc2Cl)s1 ZINC001227581476 1053002144 /nfs/dbraw/zinc/00/21/44/1053002144.db2.gz VSOMPEQEULAYNM-MRVPVSSYSA-N 1 0 320.265 4.077 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000610009925 1053003027 /nfs/dbraw/zinc/00/30/27/1053003027.db2.gz FOPNIRHBVHRBJA-HKUYNNGSSA-N 1 0 310.397 4.096 20 5 DIBDRO CC(C)[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000610089331 1053007714 /nfs/dbraw/zinc/00/77/14/1053007714.db2.gz NJKDIQQYCQEEET-LBPRGKRZSA-N 1 0 319.430 4.100 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000179569216 1053016594 /nfs/dbraw/zinc/01/65/94/1053016594.db2.gz LGEADGJYXIDGQQ-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CC3)o2)c(Cl)c1 ZINC000237814750 1053029999 /nfs/dbraw/zinc/02/99/99/1053029999.db2.gz BBUNSMXIQXVZHY-UHFFFAOYSA-N 1 0 320.776 4.398 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1Cc1ccccc1 ZINC001228174903 1053050245 /nfs/dbraw/zinc/05/02/45/1053050245.db2.gz VDTGDBMINQSDTD-HNNXBMFYSA-N 1 0 318.868 4.404 20 5 DIBDRO CC[NH+](CC)C[C@@H](C)Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001228198896 1053052314 /nfs/dbraw/zinc/05/23/14/1053052314.db2.gz QSMYSSGGKPORCC-SECBINFHSA-N 1 0 321.204 4.011 20 5 DIBDRO Cc1c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000616357129 1053054432 /nfs/dbraw/zinc/05/44/32/1053054432.db2.gz JYVFJYLCFPNVNX-ORAYPTAESA-N 1 0 310.397 4.316 20 5 DIBDRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001317716782 1053127962 /nfs/dbraw/zinc/12/79/62/1053127962.db2.gz BMZRZWYMWOZAEI-SNVBAGLBSA-N 1 0 308.765 4.396 20 5 DIBDRO CCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001318572256 1053174871 /nfs/dbraw/zinc/17/48/71/1053174871.db2.gz GIWZIIJDIZTNJX-UHFFFAOYSA-N 1 0 308.765 4.398 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001319783595 1053273372 /nfs/dbraw/zinc/27/33/72/1053273372.db2.gz HEHXTUSOWJILJC-CQSZACIVSA-N 1 0 310.397 4.243 20 5 DIBDRO Cc1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1[N+](=O)[O-] ZINC000091901554 1053273969 /nfs/dbraw/zinc/27/39/69/1053273969.db2.gz SQJSIQRTQYQJAP-UHFFFAOYSA-N 1 0 316.323 4.068 20 5 DIBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571382 1053325984 /nfs/dbraw/zinc/32/59/84/1053325984.db2.gz HEQSBXAURNXGSZ-FZKQIMNGSA-N 1 0 311.385 4.026 20 5 DIBDRO CC(C)[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001321424309 1053412594 /nfs/dbraw/zinc/41/25/94/1053412594.db2.gz VSGUCRBNZGLEJD-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO Cc1occc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618983553 1053413344 /nfs/dbraw/zinc/41/33/44/1053413344.db2.gz OWGXKXULWIZRPK-MRXNPFEDSA-N 1 0 300.358 4.008 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001321937612 1053442142 /nfs/dbraw/zinc/44/21/42/1053442142.db2.gz PZYVQJHQQUFVJI-UHFFFAOYSA-N 1 0 306.749 4.150 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(SCc2ccccc2)cc1 ZINC001230064744 1053470855 /nfs/dbraw/zinc/47/08/55/1053470855.db2.gz PLEYTQBXLMGSBM-MRXNPFEDSA-N 1 0 316.490 4.452 20 5 DIBDRO COc1ccc(C[NH2+]CC2CCC(C(C)C)CC2)cc1[N+](=O)[O-] ZINC001200223115 1053481584 /nfs/dbraw/zinc/48/15/84/1053481584.db2.gz DQXVLSFLZBATIC-UHFFFAOYSA-N 1 0 320.433 4.155 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000619754072 1053546995 /nfs/dbraw/zinc/54/69/95/1053546995.db2.gz AFYMMOMQIKIMCS-VXGBXAGGSA-N 1 0 320.414 4.467 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2ccccc2cc1Br ZINC001231319294 1053725328 /nfs/dbraw/zinc/72/53/28/1053725328.db2.gz XSCXPWJFQSPHFJ-LBPRGKRZSA-N 1 0 323.254 4.076 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1cc2ccccc2cc1Br ZINC001231319292 1053725622 /nfs/dbraw/zinc/72/56/22/1053725622.db2.gz XSCXPWJFQSPHFJ-GFCCVEGCSA-N 1 0 323.254 4.076 20 5 DIBDRO Cc1ccc([C@@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001200611430 1053812539 /nfs/dbraw/zinc/81/25/39/1053812539.db2.gz FYLCIJNNXSVPKN-HNNXBMFYSA-N 1 0 312.413 4.413 20 5 DIBDRO CCc1ccc(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC001200640602 1053842601 /nfs/dbraw/zinc/84/26/01/1053842601.db2.gz WJNHEEIJHFNLOJ-DTQAZKPQSA-N 1 0 324.424 4.393 20 5 DIBDRO CCC[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001328102410 1053907224 /nfs/dbraw/zinc/90/72/24/1053907224.db2.gz DWAQMNMIHBRVRR-BLZCZZARSA-N 1 0 310.344 4.213 20 5 DIBDRO C[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219383 1053991432 /nfs/dbraw/zinc/99/14/32/1053991432.db2.gz SZIHLRDDJOMXBD-HNNXBMFYSA-N 1 0 305.425 4.405 20 5 DIBDRO CC1(F)CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219053 1053993804 /nfs/dbraw/zinc/99/38/04/1053993804.db2.gz PVFBEALSFCMBDT-UHFFFAOYSA-N 1 0 309.388 4.107 20 5 DIBDRO CSC1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223085 1053994958 /nfs/dbraw/zinc/99/49/58/1053994958.db2.gz JVWLGWJNHZMDPY-UHFFFAOYSA-N 1 0 323.465 4.110 20 5 DIBDRO C[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219384 1053995107 /nfs/dbraw/zinc/99/51/07/1053995107.db2.gz SZIHLRDDJOMXBD-OAHLLOKOSA-N 1 0 305.425 4.405 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+](CC3CC3)C3CC3)nc12 ZINC001232228343 1053996845 /nfs/dbraw/zinc/99/68/45/1053996845.db2.gz PICOZTZWKOATGT-UHFFFAOYSA-N 1 0 303.409 4.157 20 5 DIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232223503 1053996865 /nfs/dbraw/zinc/99/68/65/1053996865.db2.gz OKDGGVCZZIBXHT-GJZGRUSLSA-N 1 0 305.425 4.261 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCCCC34CC4)nc12 ZINC001232224411 1053996953 /nfs/dbraw/zinc/99/69/53/1053996953.db2.gz HZRSNCGOAATNKZ-UHFFFAOYSA-N 1 0 303.409 4.302 20 5 DIBDRO CCC[N@@H+](Cc1ccc2ccc3cccnc3c2n1)CC1CC1 ZINC001232219917 1053997001 /nfs/dbraw/zinc/99/70/01/1053997001.db2.gz WUCBCBRSKFUDFH-UHFFFAOYSA-N 1 0 305.425 4.405 20 5 DIBDRO C[C@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H]1C ZINC001232222811 1053997063 /nfs/dbraw/zinc/99/70/63/1053997063.db2.gz ZSCOCOCVOLEUBL-GJZGRUSLSA-N 1 0 305.425 4.403 20 5 DIBDRO CC(C)(C)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(F)c1 ZINC001331230519 1054066221 /nfs/dbraw/zinc/06/62/21/1054066221.db2.gz XIOOYXJWYHERFA-HNNXBMFYSA-N 1 0 317.364 4.006 20 5 DIBDRO CSCCCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848545269 1054141215 /nfs/dbraw/zinc/14/12/15/1054141215.db2.gz UKPSVKFRAHEIBC-HNNXBMFYSA-N 1 0 308.447 4.095 20 5 DIBDRO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC001344074734 1054463880 /nfs/dbraw/zinc/46/38/80/1054463880.db2.gz IWUHKPIDFMUPLM-UHFFFAOYSA-N 1 0 319.430 4.339 20 5 DIBDRO Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000072637493 1054472779 /nfs/dbraw/zinc/47/27/79/1054472779.db2.gz AAOPLANPUWQAIS-RHSMWYFYSA-N 1 0 313.401 4.346 20 5 DIBDRO [NH3+][C@H]1CCN(Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001235360703 1054709049 /nfs/dbraw/zinc/70/90/49/1054709049.db2.gz ARNXJTNLUPAZMB-HNNXBMFYSA-N 1 0 316.404 4.224 20 5 DIBDRO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC001349584969 1054770317 /nfs/dbraw/zinc/77/03/17/1054770317.db2.gz IKRUGSLXINKGAS-UHFFFAOYSA-N 1 0 317.389 4.185 20 5 DIBDRO C[NH2+][C@@H]1CCN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001235831021 1054819850 /nfs/dbraw/zinc/81/98/50/1054819850.db2.gz AXXZXZGCDYFCIX-CQSZACIVSA-N 1 0 324.855 4.440 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2CCC1CC2 ZINC001474595137 1054835152 /nfs/dbraw/zinc/83/51/52/1054835152.db2.gz PTCCPMMPGZHYMK-USSHROBNSA-N 1 0 316.445 4.332 20 5 DIBDRO C[NH2+][C@H]1CCN1Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001236169367 1054978117 /nfs/dbraw/zinc/97/81/17/1054978117.db2.gz ZMUYBCHHOYSJAO-LJQANCHMSA-N 1 0 300.405 4.335 20 5 DIBDRO C[N@H+](CCO)Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001236256906 1055038953 /nfs/dbraw/zinc/03/89/53/1055038953.db2.gz WEKYSUOWEDVHDY-UHFFFAOYSA-N 1 0 305.377 4.115 20 5 DIBDRO CCCCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001168531766 1055164651 /nfs/dbraw/zinc/16/46/51/1055164651.db2.gz SQRULGRITQTRGG-SJORKVTESA-N 1 0 322.449 4.213 20 5 DIBDRO CCCCC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764506894 1055200270 /nfs/dbraw/zinc/20/02/70/1055200270.db2.gz ZVIKQAXLESITJG-OAHLLOKOSA-N 1 0 319.449 4.122 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000765435000 1055388571 /nfs/dbraw/zinc/38/85/71/1055388571.db2.gz ABKUXJAHXIUMGP-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000765440909 1055393985 /nfs/dbraw/zinc/39/39/85/1055393985.db2.gz VCPBOOYOXZALDG-KDOFPFPSSA-N 1 0 314.385 4.103 20 5 DIBDRO Cc1cccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1F ZINC001620878282 1055504620 /nfs/dbraw/zinc/50/46/20/1055504620.db2.gz HHBYAZYKUARHPF-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC001620878347 1055505389 /nfs/dbraw/zinc/50/53/89/1055505389.db2.gz JOYALRHGRUPWSJ-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1C(C)(C)C1(C)C ZINC001620910890 1055535850 /nfs/dbraw/zinc/53/58/50/1055535850.db2.gz MDLKTGXQIQSOGL-LCYFTJDESA-N 1 0 302.418 4.270 20 5 DIBDRO CCC[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001620920239 1055540966 /nfs/dbraw/zinc/54/09/66/1055540966.db2.gz GRNRHLPIFOXCEU-SFHVURJKSA-N 1 0 312.413 4.311 20 5 DIBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001620923529 1055544091 /nfs/dbraw/zinc/54/40/91/1055544091.db2.gz LDJLIFVGGKWZJV-KGLIPLIRSA-N 1 0 314.385 4.381 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)o2)c1 ZINC001620966114 1055689549 /nfs/dbraw/zinc/68/95/49/1055689549.db2.gz JQJPOYVJACLNRL-OAUYIBNBSA-N 1 0 312.369 4.133 20 5 DIBDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000131459566 1055741906 /nfs/dbraw/zinc/74/19/06/1055741906.db2.gz SEPPYNXXVBQEHC-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC001620971937 1055774649 /nfs/dbraw/zinc/77/46/49/1055774649.db2.gz FODZLFNJLITWLR-CQSZACIVSA-N 1 0 320.433 4.300 20 5 DIBDRO Cc1cc(C)c(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c(C)c1 ZINC001620752140 1055925174 /nfs/dbraw/zinc/92/51/74/1055925174.db2.gz WUSQXWQVRGJRHJ-UHFFFAOYSA-N 1 0 312.413 4.427 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C(C3CC3)C3CC3)o2)c1 ZINC001620783308 1055952819 /nfs/dbraw/zinc/95/28/19/1055952819.db2.gz FTJNBTFNCJDURJ-UHFFFAOYSA-N 1 0 312.369 4.133 20 5 DIBDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001620993125 1055963828 /nfs/dbraw/zinc/96/38/28/1055963828.db2.gz MMPMXNDSBPJPGS-NVXWUHKLSA-N 1 0 322.474 4.482 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)c(C)c1 ZINC001620705212 1055983519 /nfs/dbraw/zinc/98/35/19/1055983519.db2.gz XFKCTENDNREFBM-JYRVWZFOSA-N 1 0 314.360 4.235 20 5 DIBDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3cccc([N+](=O)[O-])c3C)c21 ZINC001649100898 1055993620 /nfs/dbraw/zinc/99/36/20/1055993620.db2.gz BPCZLTMUUPNAEM-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2c(C)cc(Cl)cc2C)cc1[N+](=O)[O-] ZINC001621036991 1055997861 /nfs/dbraw/zinc/99/78/61/1055997861.db2.gz WOZOBMAXYZIINL-UHFFFAOYSA-N 1 0 318.804 4.463 20 5 DIBDRO Cc1c(Cl)cccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001621055145 1056012815 /nfs/dbraw/zinc/01/28/15/1056012815.db2.gz LUHOPFCXUHERND-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C(C)C ZINC001621334726 1056037505 /nfs/dbraw/zinc/03/75/05/1056037505.db2.gz UVEZIHZKZBUCOB-GOEBONIOSA-N 1 0 310.825 4.361 20 5 DIBDRO CC[NH+](CC)[C@@H](CNc1cc(C)sc1[N+](=O)[O-])c1ccco1 ZINC001611886498 1056204393 /nfs/dbraw/zinc/20/43/93/1056204393.db2.gz OHPRVAWKDCMEGO-ZDUSSCGKSA-N 1 0 323.418 4.053 20 5 DIBDRO Cc1cc(F)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC001621086662 1056415087 /nfs/dbraw/zinc/41/50/87/1056415087.db2.gz LQNNWFNIIXGMAR-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCCc2cccnc21 ZINC001168661787 1056459195 /nfs/dbraw/zinc/45/91/95/1056459195.db2.gz RUBHLXFZMSKBGN-IBGZPJMESA-N 1 0 310.465 4.167 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCCc2cccnc21 ZINC001168661789 1056460168 /nfs/dbraw/zinc/46/01/68/1056460168.db2.gz RUBHLXFZMSKBGN-LJQANCHMSA-N 1 0 310.465 4.167 20 5 DIBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CCCCC1 ZINC001615239606 1056482845 /nfs/dbraw/zinc/48/28/45/1056482845.db2.gz IENGRIAKMYLNBQ-UHFFFAOYSA-N 1 0 320.433 4.396 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCc2ccccc2CC1 ZINC001615536341 1056530102 /nfs/dbraw/zinc/53/01/02/1056530102.db2.gz TZSHXUCEKDNYIQ-HNNXBMFYSA-N 1 0 310.397 4.065 20 5 DIBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001615601418 1056544749 /nfs/dbraw/zinc/54/47/49/1056544749.db2.gz UTWJHPPKGHAGKB-BZNIZROVSA-N 1 0 312.360 4.274 20 5 DIBDRO Cc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC001615648166 1056552424 /nfs/dbraw/zinc/55/24/24/1056552424.db2.gz DYYVBYBOWWNNER-SUMWQHHRSA-N 1 0 314.385 4.469 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c(Cl)c1 ZINC001615796395 1056576385 /nfs/dbraw/zinc/57/63/85/1056576385.db2.gz AGLJEWYGPRWGFF-HNNXBMFYSA-N 1 0 316.788 4.065 20 5 DIBDRO COc1ccc(C[N@H+](C(C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001616042301 1056607522 /nfs/dbraw/zinc/60/75/22/1056607522.db2.gz JOPFZJCAHFHLCV-UHFFFAOYSA-N 1 0 306.406 4.147 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC001616628736 1056690988 /nfs/dbraw/zinc/69/09/88/1056690988.db2.gz FLCSKOIFHQUBII-LSDHHAIUSA-N 1 0 302.418 4.476 20 5 DIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001616981058 1056752843 /nfs/dbraw/zinc/75/28/43/1056752843.db2.gz IFPOMKPSJQTSTO-LJQANCHMSA-N 1 0 310.397 4.192 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001617272370 1056805220 /nfs/dbraw/zinc/80/52/20/1056805220.db2.gz AMPFFNJMOIFWDZ-AEFFLSMTSA-N 1 0 304.434 4.332 20 5 DIBDRO C[N@H+](CCCC1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC001617465567 1056836885 /nfs/dbraw/zinc/83/68/85/1056836885.db2.gz RMUNOHMKUYMILO-UHFFFAOYSA-N 1 0 304.434 4.430 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001617766496 1056879101 /nfs/dbraw/zinc/87/91/01/1056879101.db2.gz SSUDQWWRSHDFMS-GGPKGHCWSA-N 1 0 322.408 4.363 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000078995830 1056900719 /nfs/dbraw/zinc/90/07/19/1056900719.db2.gz XXRGGTYLRNRFAR-KGLIPLIRSA-N 1 0 314.385 4.405 20 5 DIBDRO CCC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001617986819 1056910473 /nfs/dbraw/zinc/91/04/73/1056910473.db2.gz CYTKJJRCFGBHTF-INIZCTEOSA-N 1 0 308.422 4.168 20 5 DIBDRO c1ccc2c(c1)cc(-c1cc(C3C[NH2+]C3)ncn1)c1ccccc21 ZINC001241131628 1056913966 /nfs/dbraw/zinc/91/39/66/1056913966.db2.gz DBWBBMLIJIXTEW-UHFFFAOYSA-N 1 0 311.388 4.137 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C)CCCC(C)(C)O ZINC001168713176 1056976945 /nfs/dbraw/zinc/97/69/45/1056976945.db2.gz YNZUXPGIWPCLQN-INIZCTEOSA-N 1 0 307.502 4.025 20 5 DIBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000316750566 1056988784 /nfs/dbraw/zinc/98/87/84/1056988784.db2.gz QNEYPCPPAVIWCV-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000316746154 1056988997 /nfs/dbraw/zinc/98/89/97/1056988997.db2.gz PVJIOKVQPOEAOB-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000124129455 1057035145 /nfs/dbraw/zinc/03/51/45/1057035145.db2.gz ASIJIJWSCJGRBF-DGCLKSJQSA-N 1 0 304.415 4.247 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922845009 1057069602 /nfs/dbraw/zinc/06/96/02/1057069602.db2.gz KADQCUYLASUFKT-BYPUDFOVSA-N 1 0 318.442 4.016 20 5 DIBDRO Cc1csc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000162357654 1057127266 /nfs/dbraw/zinc/12/72/66/1057127266.db2.gz ZEELACCLNHALPY-NEPJUHHUSA-N 1 0 305.403 4.080 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CC2=Cc3ccccc3OC2)cc1[N+](=O)[O-] ZINC000175054561 1057379840 /nfs/dbraw/zinc/37/98/40/1057379840.db2.gz FMXCASRLYURUJQ-CQSZACIVSA-N 1 0 324.380 4.030 20 5 DIBDRO CC1CC[NH+](C2CCC(Nc3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000611031872 1057580306 /nfs/dbraw/zinc/58/03/06/1057580306.db2.gz QYYUVKRZHAGRIQ-UHFFFAOYSA-N 1 0 323.462 4.111 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000611336110 1057591608 /nfs/dbraw/zinc/59/16/08/1057591608.db2.gz KARIDAXUDTUQKC-UKRRQHHQSA-N 1 0 313.401 4.327 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000611336756 1057591636 /nfs/dbraw/zinc/59/16/36/1057591636.db2.gz DFCPJFIQXFNARY-RHSMWYFYSA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000611336109 1057591874 /nfs/dbraw/zinc/59/18/74/1057591874.db2.gz KARIDAXUDTUQKC-HIFRSBDPSA-N 1 0 313.401 4.327 20 5 DIBDRO O=[N+]([O-])c1c(F)cccc1NCCCCCCC[NH+]1CCCC1 ZINC000732567892 1057780307 /nfs/dbraw/zinc/78/03/07/1057780307.db2.gz WTNVOBJTWGMUNO-UHFFFAOYSA-N 1 0 323.412 4.192 20 5 DIBDRO CC[NH+](CC)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccccc1 ZINC001559048129 1058944803 /nfs/dbraw/zinc/94/48/03/1058944803.db2.gz SGILOKGENYHWDI-HNNXBMFYSA-N 1 0 319.430 4.151 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCCC3)cc2)n1 ZINC001559053139 1058951299 /nfs/dbraw/zinc/95/12/99/1058951299.db2.gz WOOIFTKNJDEXLI-UHFFFAOYSA-N 1 0 312.373 4.032 20 5 DIBDRO C[N@H+](CCc1cccc(Nc2sccc2[N+](=O)[O-])c1)C1CC1 ZINC001559153175 1059039890 /nfs/dbraw/zinc/03/98/90/1059039890.db2.gz MTJMZAIFMZBOSK-UHFFFAOYSA-N 1 0 317.414 4.037 20 5 DIBDRO CC(C)CCC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001559601982 1059434305 /nfs/dbraw/zinc/43/43/05/1059434305.db2.gz WOEGKTBFXBEASC-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CC1)C(C)C ZINC001559610707 1059443743 /nfs/dbraw/zinc/44/37/43/1059443743.db2.gz XLCOWXYWEKODSN-UHFFFAOYSA-N 1 0 306.406 4.002 20 5 DIBDRO c1ccc2c(c1)cc(-c1noc([C@@H]3CCC[NH2+]3)n1)c1ccccc21 ZINC001247497493 1059503155 /nfs/dbraw/zinc/50/31/55/1059503155.db2.gz KEPWQMBOWLIURF-SFHVURJKSA-N 1 0 315.376 4.468 20 5 DIBDRO Cc1cccc(C2=CC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001559679790 1059505632 /nfs/dbraw/zinc/50/56/32/1059505632.db2.gz OWECBWWKJIYOAK-UHFFFAOYSA-N 1 0 308.381 4.193 20 5 DIBDRO CC(C)[C@@H]1CCCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559688875 1059517955 /nfs/dbraw/zinc/51/79/55/1059517955.db2.gz FBPKJKDSHGQYAF-SFHVURJKSA-N 1 0 320.433 4.264 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cccc([N+](=O)[O-])c1 ZINC001559703784 1059532004 /nfs/dbraw/zinc/53/20/04/1059532004.db2.gz OYDPNNLOEMSDEL-GOSISDBHSA-N 1 0 321.380 4.384 20 5 DIBDRO C[NH2+]CCCc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247620213 1059575366 /nfs/dbraw/zinc/57/53/66/1059575366.db2.gz GYNBZNUQJAQOIW-UHFFFAOYSA-N 1 0 317.392 4.195 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001559768206 1059603055 /nfs/dbraw/zinc/60/30/55/1059603055.db2.gz FRMYLQHCERJZKV-JKIFEVAISA-N 1 0 320.433 4.296 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC001559768204 1059604313 /nfs/dbraw/zinc/60/43/13/1059604313.db2.gz FRMYLQHCERJZKV-GRDNDAEWSA-N 1 0 320.433 4.296 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCC1(C)C ZINC001559782605 1059618511 /nfs/dbraw/zinc/61/85/11/1059618511.db2.gz UGXAYRYYTWBAFT-MRXNPFEDSA-N 1 0 304.434 4.286 20 5 DIBDRO Cc1ccccc1CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001559782283 1059619106 /nfs/dbraw/zinc/61/91/06/1059619106.db2.gz KCRJZYSKXIBNID-UHFFFAOYSA-N 1 0 312.413 4.010 20 5 DIBDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC001559811550 1059645424 /nfs/dbraw/zinc/64/54/24/1059645424.db2.gz LKOVEMBRAQAMKY-KFZJALRRSA-N 1 0 320.433 4.085 20 5 DIBDRO Cc1c(C[N@@H+]2CCC=C(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001559824943 1059658963 /nfs/dbraw/zinc/65/89/63/1059658963.db2.gz ANSAQEJFNPKCKH-UHFFFAOYSA-N 1 0 308.381 4.193 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)cc1 ZINC001559848791 1059676312 /nfs/dbraw/zinc/67/63/12/1059676312.db2.gz CDRVVVJIUWDBSY-YLJYHZDGSA-N 1 0 322.408 4.462 20 5 DIBDRO Cc1cccc(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC001559861289 1059684093 /nfs/dbraw/zinc/68/40/93/1059684093.db2.gz DYPOURICAIQEHU-UHFFFAOYSA-N 1 0 318.804 4.497 20 5 DIBDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001559870607 1059688436 /nfs/dbraw/zinc/68/84/36/1059688436.db2.gz BVTWXQLMFMSOFU-QGZVFWFLSA-N 1 0 310.397 4.147 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCC1 ZINC001559903049 1059722408 /nfs/dbraw/zinc/72/24/08/1059722408.db2.gz OZVGQBFOPBXYQI-JTQLQIEISA-N 1 0 316.323 4.282 20 5 DIBDRO CC1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC001559987032 1059795582 /nfs/dbraw/zinc/79/55/82/1059795582.db2.gz CJXOOAPFADCQBT-UHFFFAOYSA-N 1 0 320.433 4.122 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC001560017359 1059822126 /nfs/dbraw/zinc/82/21/26/1059822126.db2.gz HKHSTNCRRLQEOO-MRXNPFEDSA-N 1 0 306.381 4.279 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC001560017358 1059823390 /nfs/dbraw/zinc/82/33/90/1059823390.db2.gz HKHSTNCRRLQEOO-INIZCTEOSA-N 1 0 306.381 4.279 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001560137929 1059940821 /nfs/dbraw/zinc/94/08/21/1059940821.db2.gz MGNHCBHTYNAFPD-RIFZZMRRSA-N 1 0 322.408 4.238 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001560246011 1060009587 /nfs/dbraw/zinc/00/95/87/1060009587.db2.gz BNACCZKLMIIZMP-UHFFFAOYSA-N 1 0 322.364 4.453 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cc2ccccc2o1 ZINC001560269481 1060041179 /nfs/dbraw/zinc/04/11/79/1060041179.db2.gz FBOBHXUBDNTMNW-UHFFFAOYSA-N 1 0 310.353 4.248 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC001560359199 1060145155 /nfs/dbraw/zinc/14/51/55/1060145155.db2.gz FEKGEMHQJCCZNQ-DLBZAZTESA-N 1 0 318.417 4.052 20 5 DIBDRO Cc1c(C[NH2+]CCc2c(F)cccc2Cl)cccc1[N+](=O)[O-] ZINC001560371520 1060158393 /nfs/dbraw/zinc/15/83/93/1060158393.db2.gz WELTYPVEQSFRAH-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO Cc1cc(C)cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001560417653 1060202712 /nfs/dbraw/zinc/20/27/12/1060202712.db2.gz LAHGEYLVHDDCSE-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC001560503516 1060298255 /nfs/dbraw/zinc/29/82/55/1060298255.db2.gz OYDYOZBASSEBMP-HOTGVXAUSA-N 1 0 302.418 4.128 20 5 DIBDRO COC[C@@H](CC[NH2+]Cc1c2ccccc2cc2ccccc21)OC ZINC001560530302 1060330746 /nfs/dbraw/zinc/33/07/46/1060330746.db2.gz BVTJQCIJCCOKJI-GOSISDBHSA-N 1 0 323.436 4.134 20 5 DIBDRO COC[C@H](CC[NH2+]Cc1c2ccccc2cc2ccccc21)OC ZINC001560530303 1060331249 /nfs/dbraw/zinc/33/12/49/1060331249.db2.gz BVTJQCIJCCOKJI-SFHVURJKSA-N 1 0 323.436 4.134 20 5 DIBDRO C[C@@H](C[NH2+]Cc1cccc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC001560604300 1060416930 /nfs/dbraw/zinc/41/69/30/1060416930.db2.gz RHZRHFKKPMEDHM-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001560609093 1060422376 /nfs/dbraw/zinc/42/23/76/1060422376.db2.gz VPFLWVXDJZYRIJ-JWAFFJSPSA-N 1 0 314.360 4.488 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC001560663233 1060490395 /nfs/dbraw/zinc/49/03/95/1060490395.db2.gz HMIQMEHJQHKLPL-ZDUSSCGKSA-N 1 0 318.442 4.336 20 5 DIBDRO Cc1oc2ccccc2c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001560697286 1060551574 /nfs/dbraw/zinc/55/15/74/1060551574.db2.gz SRTXYIKAUUGGNP-UHFFFAOYSA-N 1 0 322.364 4.208 20 5 DIBDRO CCC1(C)CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001560705439 1060560093 /nfs/dbraw/zinc/56/00/93/1060560093.db2.gz IUJCQTVQUFXBFV-UHFFFAOYSA-N 1 0 306.406 4.052 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC1CCCCC1 ZINC001560705055 1060560502 /nfs/dbraw/zinc/56/05/02/1060560502.db2.gz CIROGJJGHNZAQI-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC001560706065 1060563908 /nfs/dbraw/zinc/56/39/08/1060563908.db2.gz ZWAHRELBURTZET-ZIAGYGMSSA-N 1 0 308.422 4.154 20 5 DIBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001560831538 1060688530 /nfs/dbraw/zinc/68/85/30/1060688530.db2.gz LLSHFOURZNOTQP-BDAKNGLRSA-N 1 0 303.189 4.037 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC001560886080 1060748801 /nfs/dbraw/zinc/74/88/01/1060748801.db2.gz UFYSGGIVGNQMTH-SWLSCSKDSA-N 1 0 308.809 4.164 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC001560886081 1060749114 /nfs/dbraw/zinc/74/91/14/1060749114.db2.gz UFYSGGIVGNQMTH-WFASDCNBSA-N 1 0 308.809 4.164 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(c2ccccc2)C1 ZINC001560966143 1060830190 /nfs/dbraw/zinc/83/01/90/1060830190.db2.gz NICZIGDQIRCUQA-GDNBJRDFSA-N 1 0 308.381 4.098 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001561004724 1060862657 /nfs/dbraw/zinc/86/26/57/1060862657.db2.gz TVXPRLQMPBHFHE-DAXOMENPSA-N 1 0 320.433 4.228 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1F ZINC001561019252 1060877550 /nfs/dbraw/zinc/87/75/50/1060877550.db2.gz WRWUBVNTHCSZKP-AWEZNQCLSA-N 1 0 316.376 4.153 20 5 DIBDRO Cc1cc(C)cc(CC[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001561027169 1060881619 /nfs/dbraw/zinc/88/16/19/1060881619.db2.gz XNFCYDOMWJOTPC-INIZCTEOSA-N 1 0 312.413 4.147 20 5 DIBDRO Cc1ccc(CC[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC001561026341 1060882978 /nfs/dbraw/zinc/88/29/78/1060882978.db2.gz BASFLBXDLUETAI-INIZCTEOSA-N 1 0 312.413 4.147 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001473202098 1060962800 /nfs/dbraw/zinc/96/28/00/1060962800.db2.gz GEXCBNMOKLKBHM-NVXWUHKLSA-N 1 0 322.408 4.494 20 5 DIBDRO CC(C)CC(CC(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001462157557 1060979722 /nfs/dbraw/zinc/97/97/22/1060979722.db2.gz XREHYWGWZOWAGN-UHFFFAOYSA-N 1 0 318.421 4.022 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCC1CCCCC1)CC2 ZINC001473219566 1060994279 /nfs/dbraw/zinc/99/42/79/1060994279.db2.gz JJADAXBDYUCMNI-UHFFFAOYSA-N 1 0 302.418 4.313 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c1 ZINC001473229544 1061009284 /nfs/dbraw/zinc/00/92/84/1061009284.db2.gz ANCYWTJFJDJUPM-UYAOXDASSA-N 1 0 322.408 4.496 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(C)C)cc1[N+](=O)[O-] ZINC001473253484 1061030786 /nfs/dbraw/zinc/03/07/86/1061030786.db2.gz NXJAIOYMZLTDCL-MRXNPFEDSA-N 1 0 320.433 4.394 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC2(CCCC2)CC1 ZINC001462267970 1061065085 /nfs/dbraw/zinc/06/50/85/1061065085.db2.gz NEZGHMPTICHAHQ-UHFFFAOYSA-N 1 0 302.418 4.368 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1coc2ccccc12 ZINC001462281105 1061075829 /nfs/dbraw/zinc/07/58/29/1061075829.db2.gz UWHYTTQSFFTNFN-CQSZACIVSA-N 1 0 324.380 4.452 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001462355721 1061126287 /nfs/dbraw/zinc/12/62/87/1061126287.db2.gz HTQPQAHZBZYFAQ-IMJJTQAJSA-N 1 0 304.434 4.330 20 5 DIBDRO Cc1ccc([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC001473445299 1061162378 /nfs/dbraw/zinc/16/23/78/1061162378.db2.gz GYIBNIFCNOIUKQ-SFHVURJKSA-N 1 0 324.424 4.244 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001473464668 1061175363 /nfs/dbraw/zinc/17/53/63/1061175363.db2.gz LYKOXXBQJCDZEY-HNNXBMFYSA-N 1 0 308.381 4.445 20 5 DIBDRO CC(C)Cc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001462450578 1061181735 /nfs/dbraw/zinc/18/17/35/1061181735.db2.gz CFBBNWALYLAKCV-UHFFFAOYSA-N 1 0 312.413 4.126 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)C[C@H]1C ZINC001473554493 1061242702 /nfs/dbraw/zinc/24/27/02/1061242702.db2.gz HQHIUEUSCDYYFE-CYBMUJFWSA-N 1 0 306.406 4.002 20 5 DIBDRO Cc1c(C[NH+]2CCC3(CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC001473626125 1061300283 /nfs/dbraw/zinc/30/02/83/1061300283.db2.gz SJPDHOGXHSAUEW-UHFFFAOYSA-N 1 0 302.418 4.450 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC001473663685 1061325404 /nfs/dbraw/zinc/32/54/04/1061325404.db2.gz MELJNANPEAJAHE-MRXNPFEDSA-N 1 0 318.417 4.148 20 5 DIBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001473818832 1061422831 /nfs/dbraw/zinc/42/28/31/1061422831.db2.gz XGDJNHHLSQXEES-BBRMVZONSA-N 1 0 316.426 4.424 20 5 DIBDRO CCC[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001473857861 1061437195 /nfs/dbraw/zinc/43/71/95/1061437195.db2.gz DWIVDBRNWBHEKP-HNNXBMFYSA-N 1 0 315.373 4.014 20 5 DIBDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC001474002066 1061542030 /nfs/dbraw/zinc/54/20/30/1061542030.db2.gz JNXRWIVDKQCBLX-INIZCTEOSA-N 1 0 312.413 4.241 20 5 DIBDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC001474002068 1061543532 /nfs/dbraw/zinc/54/35/32/1061543532.db2.gz JNXRWIVDKQCBLX-MRXNPFEDSA-N 1 0 312.413 4.241 20 5 DIBDRO CC[C@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001474032494 1061578290 /nfs/dbraw/zinc/57/82/90/1061578290.db2.gz MKPHLYONLIUIHN-DOTOQJQBSA-N 1 0 304.434 4.476 20 5 DIBDRO CC[NH+](CC)CCSc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001458194590 1061625480 /nfs/dbraw/zinc/62/54/80/1061625480.db2.gz AHUKNJYUJUKWNK-UHFFFAOYSA-N 1 0 322.352 4.048 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC001474130244 1061676082 /nfs/dbraw/zinc/67/60/82/1061676082.db2.gz AZELZFSIOQFDBE-QAQDUYKDSA-N 1 0 310.397 4.247 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC001474177851 1061723974 /nfs/dbraw/zinc/72/39/74/1061723974.db2.gz ZUFQSOHUDAGGJW-HOTGVXAUSA-N 1 0 320.433 4.298 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC001474246452 1061811559 /nfs/dbraw/zinc/81/15/59/1061811559.db2.gz UOSCPHFWFPZDSL-RDJZCZTQSA-N 1 0 320.433 4.013 20 5 DIBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001474294493 1061864965 /nfs/dbraw/zinc/86/49/65/1061864965.db2.gz OLLBFSMBUFJEQN-CXAGYDPISA-N 1 0 312.369 4.299 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(C)C)CC1 ZINC001474314855 1061886893 /nfs/dbraw/zinc/88/68/93/1061886893.db2.gz RUSNFALUVVOCKJ-RVDMUPIBSA-N 1 0 302.418 4.366 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCc3ccccc32)C2CC2)cc1 ZINC001474318195 1061890832 /nfs/dbraw/zinc/89/08/32/1061890832.db2.gz AZZVIRRHCLDQCQ-QGZVFWFLSA-N 1 0 322.408 4.289 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2c(C)cccc2C1 ZINC001474367258 1062003074 /nfs/dbraw/zinc/00/30/74/1062003074.db2.gz UAOHAKVKNUVPFE-UHFFFAOYSA-N 1 0 310.397 4.078 20 5 DIBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC001474383083 1062030815 /nfs/dbraw/zinc/03/08/15/1062030815.db2.gz LNNBARYROILCGS-FHLIZLRMSA-N 1 0 302.418 4.038 20 5 DIBDRO CC[C@]1(C)CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474396682 1062053127 /nfs/dbraw/zinc/05/31/27/1062053127.db2.gz MRJAEGBFIOLNIN-HZPDHXFCSA-N 1 0 310.825 4.349 20 5 DIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC001459382387 1062120252 /nfs/dbraw/zinc/12/02/52/1062120252.db2.gz APSCDNAFEGFAPX-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC001474445477 1062124557 /nfs/dbraw/zinc/12/45/57/1062124557.db2.gz GAQZJCDVZGAHPL-BFYDXBDKSA-N 1 0 304.434 4.474 20 5 DIBDRO CCCC[N@H+](CCC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479039 1062125244 /nfs/dbraw/zinc/12/52/44/1062125244.db2.gz PLXMLTDXTMUEKH-UHFFFAOYSA-N 1 0 319.449 4.076 20 5 DIBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474475134 1062155370 /nfs/dbraw/zinc/15/53/70/1062155370.db2.gz YLEIBAIFJQOATA-GFCCVEGCSA-N 1 0 317.389 4.137 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(F)c1 ZINC001254538125 1062164017 /nfs/dbraw/zinc/16/40/17/1062164017.db2.gz PKWFQDQNQIJJLG-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001254535795 1062164726 /nfs/dbraw/zinc/16/47/26/1062164726.db2.gz LAGAOWVINGCJJM-DYVFJYSZSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001254533856 1062165192 /nfs/dbraw/zinc/16/51/92/1062165192.db2.gz PMRXTEGRRVVSPE-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1ccccc1)C1CC1 ZINC001254534249 1062165487 /nfs/dbraw/zinc/16/54/87/1062165487.db2.gz UZSGUUSTVMSNCQ-AUUYWEPGSA-N 1 0 310.397 4.267 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc2ccccc2o1 ZINC001254539695 1062167272 /nfs/dbraw/zinc/16/72/72/1062167272.db2.gz JOPOXTYTOKKYCO-CYBMUJFWSA-N 1 0 310.353 4.062 20 5 DIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540947 1062167592 /nfs/dbraw/zinc/16/75/92/1062167592.db2.gz XEAVQNLEZLECLW-KBXCAEBGSA-N 1 0 310.397 4.111 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(F)c1F ZINC001254545859 1062169676 /nfs/dbraw/zinc/16/96/76/1062169676.db2.gz QAYSWJNUPWJANP-VXGBXAGGSA-N 1 0 320.339 4.155 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001254546458 1062170110 /nfs/dbraw/zinc/17/01/10/1062170110.db2.gz FVDAYIPDNSBTBR-YOEHRIQHSA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C2CC2)c1 ZINC001254545259 1062170137 /nfs/dbraw/zinc/17/01/37/1062170137.db2.gz BYYNJXUUTGLTPU-CQSZACIVSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C)CCC(F)(F)CC1 ZINC001254547829 1062170997 /nfs/dbraw/zinc/17/09/97/1062170997.db2.gz YDOVNOAFKRWPBB-LBPRGKRZSA-N 1 0 312.360 4.083 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccccc2)CC1 ZINC001254551788 1062172735 /nfs/dbraw/zinc/17/27/35/1062172735.db2.gz FTJORZXHPIULFK-MRXNPFEDSA-N 1 0 324.424 4.405 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCC2)CC1 ZINC001254553532 1062173964 /nfs/dbraw/zinc/17/39/64/1062173964.db2.gz WXFLUWLIFHHRMM-HNNXBMFYSA-N 1 0 302.418 4.182 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001254549673 1062174139 /nfs/dbraw/zinc/17/41/39/1062174139.db2.gz WJFJXEZWZMNRJU-GOEBONIOSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001254550298 1062174192 /nfs/dbraw/zinc/17/41/92/1062174192.db2.gz HKFXDTUENJELLF-CRAIPNDOSA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ccoc2c1 ZINC001254549411 1062174420 /nfs/dbraw/zinc/17/44/20/1062174420.db2.gz VBZAFEPEZJMACF-ZDUSSCGKSA-N 1 0 310.353 4.062 20 5 DIBDRO C[NH2+]Cc1ccc2c(ccn2[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254551998 1062174500 /nfs/dbraw/zinc/17/45/00/1062174500.db2.gz HTPUGDGXULDBFU-CQSZACIVSA-N 1 0 323.396 4.073 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001459512244 1062176866 /nfs/dbraw/zinc/17/68/66/1062176866.db2.gz FOGRVPBCFBZLGK-ZLDLUXBVSA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001459512234 1062177502 /nfs/dbraw/zinc/17/75/02/1062177502.db2.gz FOGRVPBCFBZLGK-KYOSRNDESA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001254562396 1062179899 /nfs/dbraw/zinc/17/98/99/1062179899.db2.gz LNKOCDQVBGEQOO-SJLPKXTDSA-N 1 0 324.424 4.090 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](Cc1ccccc1)C1CC1 ZINC001254568257 1062183396 /nfs/dbraw/zinc/18/33/96/1062183396.db2.gz YKXJUIQXZOZZTJ-HNNXBMFYSA-N 1 0 310.397 4.190 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001254566922 1062183486 /nfs/dbraw/zinc/18/34/86/1062183486.db2.gz VDJMLSSWSNVUAX-NXVRBGIVSA-N 1 0 320.408 4.130 20 5 DIBDRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578209 1062189685 /nfs/dbraw/zinc/18/96/85/1062189685.db2.gz BPXFVOICYJAVTD-CXAGYDPISA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578211 1062190530 /nfs/dbraw/zinc/19/05/30/1062190530.db2.gz BPXFVOICYJAVTD-GUYCJALGSA-N 1 0 302.418 4.011 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(C)c1C ZINC001254590130 1062191675 /nfs/dbraw/zinc/19/16/75/1062191675.db2.gz VBERHLXDQKZOQN-YLJYHZDGSA-N 1 0 324.424 4.420 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](CC1CC1)c1ccccc1)C2 ZINC001254588156 1062192769 /nfs/dbraw/zinc/19/27/69/1062192769.db2.gz VPIUVFXSWOSJFS-UYAOXDASSA-N 1 0 322.408 4.193 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](CC1CC1)c1ccccc1)C2 ZINC001254588041 1062193131 /nfs/dbraw/zinc/19/31/31/1062193131.db2.gz VPIUVFXSWOSJFS-ICSRJNTNSA-N 1 0 322.408 4.193 20 5 DIBDRO Cc1cccc([C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C(C)C)c1 ZINC001254588867 1062193318 /nfs/dbraw/zinc/19/33/18/1062193318.db2.gz JJPQNJQAKFHGEU-AZUAARDMSA-N 1 0 324.424 4.357 20 5 DIBDRO C[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)Cc1ccccc1 ZINC001254605475 1062196478 /nfs/dbraw/zinc/19/64/78/1062196478.db2.gz AHPGJENAXDJFIB-IBGZPJMESA-N 1 0 324.424 4.015 20 5 DIBDRO CC[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC001474515223 1062196483 /nfs/dbraw/zinc/19/64/83/1062196483.db2.gz BPMXISCXUPBJBA-UHFFFAOYSA-N 1 0 316.323 4.378 20 5 DIBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C(C)C ZINC001474521039 1062206299 /nfs/dbraw/zinc/20/62/99/1062206299.db2.gz INEQHUUYGAANGN-GOEBONIOSA-N 1 0 310.825 4.361 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC2(CCCCC2)C1 ZINC001459627449 1062263216 /nfs/dbraw/zinc/26/32/16/1062263216.db2.gz CVBQFAYEFRPULL-AWEZNQCLSA-N 1 0 320.458 4.408 20 5 DIBDRO CC(C)(C)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001459643371 1062276455 /nfs/dbraw/zinc/27/64/55/1062276455.db2.gz JUJDCBHNDFELOL-UHFFFAOYSA-N 1 0 320.433 4.264 20 5 DIBDRO Cc1cc[nH+]c(NCc2ccc([N+](=O)[O-])c(Cl)c2)c1C1CC1 ZINC001474618533 1062338670 /nfs/dbraw/zinc/33/86/70/1062338670.db2.gz VPMOYEQHMSAPTG-UHFFFAOYSA-N 1 0 317.776 4.441 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3ncccc23)cc1[N+](=O)[O-] ZINC001459825082 1062428993 /nfs/dbraw/zinc/42/89/93/1062428993.db2.gz OFXRZJYCQZYFLG-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)c1ccccc1 ZINC001459836654 1062436159 /nfs/dbraw/zinc/43/61/59/1062436159.db2.gz OQUWEXSVPNYTOC-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001459848903 1062446406 /nfs/dbraw/zinc/44/64/06/1062446406.db2.gz JVFQSRCCPSIQGG-LJQANCHMSA-N 1 0 312.413 4.433 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC001459863465 1062458223 /nfs/dbraw/zinc/45/82/23/1062458223.db2.gz HPJXZOLLHRZDMO-QGZVFWFLSA-N 1 0 302.349 4.283 20 5 DIBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC001459967358 1062533484 /nfs/dbraw/zinc/53/34/84/1062533484.db2.gz MAGJBUQYDPJCRY-CZUORRHYSA-N 1 0 306.406 4.004 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001459964878 1062534589 /nfs/dbraw/zinc/53/45/89/1062534589.db2.gz OXKWBJXWKDECNL-CZUORRHYSA-N 1 0 308.397 4.428 20 5 DIBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001459986584 1062547658 /nfs/dbraw/zinc/54/76/58/1062547658.db2.gz SYUZWWASOYIBTR-BBRMVZONSA-N 1 0 306.406 4.052 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)cc1 ZINC001460126544 1062648893 /nfs/dbraw/zinc/64/88/93/1062648893.db2.gz DRFSZUOSLASAGY-LMMKCTJWSA-N 1 0 314.429 4.210 20 5 DIBDRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460133329 1062654516 /nfs/dbraw/zinc/65/45/16/1062654516.db2.gz SRXGMYOADFRORG-WBVHZDCISA-N 1 0 304.434 4.456 20 5 DIBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC(C)(C)C1 ZINC001460391192 1062828665 /nfs/dbraw/zinc/82/86/65/1062828665.db2.gz OQIULPDLZCBOHK-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO COc1ccc(C[N@H+](C)C[C@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001460597584 1062923786 /nfs/dbraw/zinc/92/37/86/1062923786.db2.gz INOIFBGRZIAPQH-AWEZNQCLSA-N 1 0 320.433 4.252 20 5 DIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001460675176 1062978711 /nfs/dbraw/zinc/97/87/11/1062978711.db2.gz VYTGOFJIGFBTFA-MRXNPFEDSA-N 1 0 318.417 4.006 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001460802255 1063067789 /nfs/dbraw/zinc/06/77/89/1063067789.db2.gz PHVAPBVMYYODSF-HUUCEWRRSA-N 1 0 320.433 4.250 20 5 DIBDRO CC[C@H](C)[N@H+](C)CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001472682094 1063146980 /nfs/dbraw/zinc/14/69/80/1063146980.db2.gz WECFIDIBLKSOOW-VIFPVBQESA-N 1 0 320.220 4.044 20 5 DIBDRO Cc1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC001461022572 1063197179 /nfs/dbraw/zinc/19/71/79/1063197179.db2.gz LWNQWZLIKSJBTK-UHFFFAOYSA-N 1 0 322.364 4.453 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(c2ccccc2)CCC1 ZINC001461026449 1063200110 /nfs/dbraw/zinc/20/01/10/1063200110.db2.gz QMTHNSITZPZSNO-UHFFFAOYSA-N 1 0 324.424 4.423 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc2ccncc2s1)c1cccc([N+](=O)[O-])c1 ZINC001461063573 1063229508 /nfs/dbraw/zinc/22/95/08/1063229508.db2.gz IIZIWFCJQVCSNU-LLVKDONJSA-N 1 0 313.382 4.055 20 5 DIBDRO C[C@H]1CCCC[C@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001461269146 1063381384 /nfs/dbraw/zinc/38/13/84/1063381384.db2.gz ZNTWINOBZDUQAV-RDJZCZTQSA-N 1 0 304.434 4.333 20 5 DIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC001473120354 1063423991 /nfs/dbraw/zinc/42/39/91/1063423991.db2.gz WNRQXXWMMNYHBD-IBGZPJMESA-N 1 0 324.424 4.364 20 5 DIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001473175353 1063481970 /nfs/dbraw/zinc/48/19/70/1063481970.db2.gz JUNDIORTZYDTAK-DLBZAZTESA-N 1 0 320.433 4.010 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC001473176883 1063482851 /nfs/dbraw/zinc/48/28/51/1063482851.db2.gz QVFBRFQBHBZNMF-INIZCTEOSA-N 1 0 320.433 4.394 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC001461419191 1063489492 /nfs/dbraw/zinc/48/94/92/1063489492.db2.gz ZNZLWCFTYOEQJP-GFCCVEGCSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC001473184223 1063494076 /nfs/dbraw/zinc/49/40/76/1063494076.db2.gz DURDBAWANLGYFP-QWRGUYRKSA-N 1 0 316.323 4.234 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)C1CC1 ZINC001461537079 1063566950 /nfs/dbraw/zinc/56/69/50/1063566950.db2.gz FMKYUIHZBWZNRA-KAMYIIQDSA-N 1 0 302.418 4.414 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001461587753 1063597376 /nfs/dbraw/zinc/59/73/76/1063597376.db2.gz CXJCIRMPGRCSPS-GOEBONIOSA-N 1 0 318.417 4.052 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC2CCC1CC2 ZINC001461592476 1063601343 /nfs/dbraw/zinc/60/13/43/1063601343.db2.gz OMAJFCWXHXFIGX-YYZOHWCKSA-N 1 0 314.429 4.414 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CCC2)C2CCCCC2)c1 ZINC001461594344 1063601881 /nfs/dbraw/zinc/60/18/81/1063601881.db2.gz JMUJNRNPSJMZMB-GOSISDBHSA-N 1 0 302.418 4.433 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC2CCC1CC2 ZINC001461591958 1063602527 /nfs/dbraw/zinc/60/25/27/1063602527.db2.gz IMNXPWZGHTYBSD-GPANFISMSA-N 1 0 302.418 4.128 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001461605342 1063607996 /nfs/dbraw/zinc/60/79/96/1063607996.db2.gz FRDXJMOYERYVDV-IAGOWNOFSA-N 1 0 310.397 4.105 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001461712480 1063674055 /nfs/dbraw/zinc/67/40/55/1063674055.db2.gz HTRDDZDPHSCWSC-OAHLLOKOSA-N 1 0 320.433 4.013 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC001461789741 1063718326 /nfs/dbraw/zinc/71/83/26/1063718326.db2.gz RIUYUANUTUKYEC-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO C[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC001461892068 1063779768 /nfs/dbraw/zinc/77/97/68/1063779768.db2.gz LDMZIQMEYSECDE-GFCCVEGCSA-N 1 0 320.339 4.109 20 5 DIBDRO CCC1(CC)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCS1 ZINC001462047990 1063902935 /nfs/dbraw/zinc/90/29/35/1063902935.db2.gz CDDWSXHABNTOGK-UHFFFAOYSA-N 1 0 322.474 4.319 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000488442121 1063906094 /nfs/dbraw/zinc/90/60/94/1063906094.db2.gz MKKVRROJAXHFKK-HUBLWGQQSA-N 1 0 308.447 4.166 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001462120713 1063937635 /nfs/dbraw/zinc/93/76/35/1063937635.db2.gz XKNFXYYFDJDRIH-MOPGFXCFSA-N 1 0 324.424 4.138 20 5 DIBDRO CC1(C)C[C@H]([NH2+]C2CC3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC001261603541 1063940012 /nfs/dbraw/zinc/94/00/12/1063940012.db2.gz RVHXSUYKUBSLJI-BHKPVTDMSA-N 1 0 322.355 4.095 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCC(F)(F)F)C2)cc1 ZINC001262366625 1063965249 /nfs/dbraw/zinc/96/52/49/1063965249.db2.gz OUSBGNOYZGHROQ-CYBMUJFWSA-N 1 0 316.323 4.117 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC(F)F ZINC001333150633 1064429915 /nfs/dbraw/zinc/42/99/15/1064429915.db2.gz RWMJHEHMVXZTJO-SECBINFHSA-N 1 0 304.362 4.013 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001307111074 1065266803 /nfs/dbraw/zinc/26/68/03/1065266803.db2.gz IZCGWVOCMQTBSZ-KSSFIOAISA-N 1 0 313.401 4.007 20 5 DIBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC001307132177 1065277785 /nfs/dbraw/zinc/27/77/85/1065277785.db2.gz QLKRDGFHZFIGNC-LLVKDONJSA-N 1 0 315.364 4.065 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC001307427276 1065388012 /nfs/dbraw/zinc/38/80/12/1065388012.db2.gz AWOTXDAFQDPICS-UHFFFAOYSA-N 1 0 310.397 4.397 20 5 DIBDRO Cc1ccccc1C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC001307435140 1065397198 /nfs/dbraw/zinc/39/71/98/1065397198.db2.gz IVYKTOZIXUSUOA-UHFFFAOYSA-N 1 0 310.397 4.376 20 5 DIBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001307519009 1065458290 /nfs/dbraw/zinc/45/82/90/1065458290.db2.gz JIUGZKGUZWNBEL-XJKSGUPXSA-N 1 0 316.426 4.109 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC(C)(C)CC1 ZINC001307531279 1065467393 /nfs/dbraw/zinc/46/73/93/1065467393.db2.gz UTXCMHOADKMKBQ-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001307580130 1065494117 /nfs/dbraw/zinc/49/41/17/1065494117.db2.gz AZTKBCQLAFFXDV-OAHLLOKOSA-N 1 0 306.406 4.148 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC001307625006 1065525020 /nfs/dbraw/zinc/52/50/20/1065525020.db2.gz KZVRJQFQGSVTOX-INIZCTEOSA-N 1 0 306.312 4.114 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001307689567 1065563402 /nfs/dbraw/zinc/56/34/02/1065563402.db2.gz BZFWKXIUYCHKQY-IEBWSBKVSA-N 1 0 324.424 4.404 20 5 DIBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307704626 1065575106 /nfs/dbraw/zinc/57/51/06/1065575106.db2.gz DKYQOMAVLVENCP-ZUZCIYMTSA-N 1 0 312.360 4.177 20 5 DIBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC001307709454 1065577119 /nfs/dbraw/zinc/57/71/19/1065577119.db2.gz PKVFMTMRXIVUHI-CQSZACIVSA-N 1 0 318.442 4.418 20 5 DIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCCC12CCCC2 ZINC001307791372 1065624132 /nfs/dbraw/zinc/62/41/32/1065624132.db2.gz GRJNBBCQKAALGT-KRWDZBQOSA-N 1 0 318.417 4.066 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CCC1(C)C ZINC001307834560 1065645402 /nfs/dbraw/zinc/64/54/02/1065645402.db2.gz MCSJXRLXMREQPT-CYBMUJFWSA-N 1 0 306.406 4.145 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001307851914 1065652260 /nfs/dbraw/zinc/65/22/60/1065652260.db2.gz GNBRGUXPFMEQHP-HIFRSBDPSA-N 1 0 308.397 4.381 20 5 DIBDRO C[C@@]1(c2ccccc2)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001308037386 1065737223 /nfs/dbraw/zinc/73/72/23/1065737223.db2.gz CZDRADKEQKZKAO-IBGZPJMESA-N 1 0 310.397 4.149 20 5 DIBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001308057028 1065743353 /nfs/dbraw/zinc/74/33/53/1065743353.db2.gz NYCGMJZEQNLIBU-GFCCVEGCSA-N 1 0 316.788 4.368 20 5 DIBDRO CC(C)(C)C1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308247198 1065853008 /nfs/dbraw/zinc/85/30/08/1065853008.db2.gz LRHNGFXQXLBOLN-UHFFFAOYSA-N 1 0 320.433 4.168 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001308265468 1065864874 /nfs/dbraw/zinc/86/48/74/1065864874.db2.gz DMCWIJRJADEQNO-MRXNPFEDSA-N 1 0 310.397 4.031 20 5 DIBDRO COc1ccc(C)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001308290889 1065887041 /nfs/dbraw/zinc/88/70/41/1065887041.db2.gz MLFIEHDIWKHBFF-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CS[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001308368961 1065945634 /nfs/dbraw/zinc/94/56/34/1065945634.db2.gz DCOCXUKOIQEAKC-LRFDDAOPSA-N 1 0 322.474 4.365 20 5 DIBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001308402640 1065966045 /nfs/dbraw/zinc/96/60/45/1065966045.db2.gz ACFLYSGRRPGNIN-OLZOCXBDSA-N 1 0 316.426 4.459 20 5 DIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC001308445077 1065992733 /nfs/dbraw/zinc/99/27/33/1065992733.db2.gz PHUXRZCIBUGRFQ-SFHVURJKSA-N 1 0 323.396 4.005 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001308459636 1066002470 /nfs/dbraw/zinc/00/24/70/1066002470.db2.gz IXLAFXLDOASPJH-FICVDOATSA-N 1 0 320.433 4.155 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC001308471587 1066011227 /nfs/dbraw/zinc/01/12/27/1066011227.db2.gz PWPLDUNEVVIUKS-VNQPRFMTSA-N 1 0 302.418 4.244 20 5 DIBDRO Cc1c(C[NH2+]CC2(C(F)(F)F)CCCC2)cccc1[N+](=O)[O-] ZINC001308482616 1066020179 /nfs/dbraw/zinc/02/01/79/1066020179.db2.gz QWZYEOLRJUECNN-UHFFFAOYSA-N 1 0 316.323 4.116 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001308520819 1066041621 /nfs/dbraw/zinc/04/16/21/1066041621.db2.gz ICISMIOFILBRPO-AWEZNQCLSA-N 1 0 310.397 4.324 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)o2)cc1 ZINC001308548249 1066062493 /nfs/dbraw/zinc/06/24/93/1066062493.db2.gz YQZTZMQPLZLEFP-IAOVAPTHSA-N 1 0 312.369 4.133 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC(F)F)s2)cc1 ZINC001308551114 1066064055 /nfs/dbraw/zinc/06/40/55/1066064055.db2.gz XBSXMLVYWRMQDV-UHFFFAOYSA-N 1 0 312.341 4.068 20 5 DIBDRO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001308596638 1066108311 /nfs/dbraw/zinc/10/83/11/1066108311.db2.gz XCQOBNKNKLJKDK-PMACEKPBSA-N 1 0 322.408 4.421 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CC=CCC1 ZINC001308638395 1066131674 /nfs/dbraw/zinc/13/16/74/1066131674.db2.gz VUHZKFUAYCGIKQ-QZFKAFNDSA-N 1 0 300.402 4.286 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C(C1CCC1)C1CCC1 ZINC001308754755 1066228273 /nfs/dbraw/zinc/22/82/73/1066228273.db2.gz KGQJAHJAGXJWMT-CQSZACIVSA-N 1 0 316.445 4.474 20 5 DIBDRO Cc1ccc(F)c(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001308769179 1066243407 /nfs/dbraw/zinc/24/34/07/1066243407.db2.gz XGXJFJSKHWMVSQ-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO O=[N+]([O-])c1ccc(CNc2cc3c(c[nH+]2)CCCC3)c(Cl)c1 ZINC001308785774 1066260394 /nfs/dbraw/zinc/26/03/94/1066260394.db2.gz SPPTUCAFNGZIQV-UHFFFAOYSA-N 1 0 317.776 4.134 20 5 DIBDRO CC1(C)CC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308876446 1066355948 /nfs/dbraw/zinc/35/59/48/1066355948.db2.gz WBIZJENVVNFWSO-XJKSGUPXSA-N 1 0 302.418 4.084 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCCC1CC1 ZINC001308903724 1066382639 /nfs/dbraw/zinc/38/26/39/1066382639.db2.gz JXMSQNGQTWUBTL-WMZOPIPTSA-N 1 0 316.445 4.476 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2nccc3ccccc32)cc1[N+](=O)[O-] ZINC001308902932 1066382905 /nfs/dbraw/zinc/38/29/05/1066382905.db2.gz BVNQXZUECIREQA-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001308975460 1066427410 /nfs/dbraw/zinc/42/74/10/1066427410.db2.gz UIKIEWBPVYJOTR-YECZKDOJSA-N 1 0 314.429 4.084 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000078991748 185142131 /nfs/dbraw/zinc/14/21/31/185142131.db2.gz GGIKNENCVOJRTC-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000186747581 200002874 /nfs/dbraw/zinc/00/28/74/200002874.db2.gz GLDQVRRFACEDDJ-SWLSCSKDSA-N 1 0 319.430 4.286 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000040518060 183090108 /nfs/dbraw/zinc/09/01/08/183090108.db2.gz NFBLPWDKFFRCJH-NXEZZACHSA-N 1 0 305.403 4.080 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000040518059 183090122 /nfs/dbraw/zinc/09/01/22/183090122.db2.gz NFBLPWDKFFRCJH-UWVGGRQHSA-N 1 0 305.403 4.080 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000061330930 184168749 /nfs/dbraw/zinc/16/87/49/184168749.db2.gz HXXCINOMBWKCGM-BXUZGUMPSA-N 1 0 302.399 4.385 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000273115075 130090840 /nfs/dbraw/zinc/09/08/40/130090840.db2.gz XDVNXAOMOJGOBS-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(F)F ZINC000296631648 131977287 /nfs/dbraw/zinc/97/72/87/131977287.db2.gz BKGMLFKGNBUXDY-NSHDSACASA-N 1 0 318.389 4.100 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000297357454 132011783 /nfs/dbraw/zinc/01/17/83/132011783.db2.gz PPGZZODMFPMSGF-KPZWWZAWSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000297357461 132011920 /nfs/dbraw/zinc/01/19/20/132011920.db2.gz PPGZZODMFPMSGF-SGTLLEGYSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000297468751 132017516 /nfs/dbraw/zinc/01/75/16/132017516.db2.gz YJQFHNCDLZBKGV-QWRGUYRKSA-N 1 0 306.312 4.285 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000120785775 132151241 /nfs/dbraw/zinc/15/12/41/132151241.db2.gz YRTSIVFSZRFKJZ-SWLSCSKDSA-N 1 0 300.358 4.224 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000320519247 335070505 /nfs/dbraw/zinc/07/05/05/335070505.db2.gz OBFLEXLLGVBDLC-OALUTQOASA-N 1 0 310.397 4.411 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000556444684 331704970 /nfs/dbraw/zinc/70/49/70/331704970.db2.gz USTCDUOIRFEGSV-HDMKZQKVSA-N 1 0 320.433 4.005 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC(F)(F)C1 ZINC000537957805 331778362 /nfs/dbraw/zinc/77/83/62/331778362.db2.gz VCBMNTAXZKWDLL-OCCSQVGLSA-N 1 0 312.360 4.083 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C1CC1)C1CC1 ZINC000526046915 331816854 /nfs/dbraw/zinc/81/68/54/331816854.db2.gz GSQIHQJEULETEB-UKTHLTGXSA-N 1 0 300.402 4.024 20 5 DIBDRO Cc1cc(NCC2CCSCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317506114 331829395 /nfs/dbraw/zinc/82/93/95/331829395.db2.gz VUWPJHWTDBSXJD-UHFFFAOYSA-N 1 0 317.414 4.007 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000558480383 331911667 /nfs/dbraw/zinc/91/16/67/331911667.db2.gz RFDOUDRDXCNLTJ-GFCCVEGCSA-N 1 0 322.817 4.395 20 5 DIBDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000126104886 331992836 /nfs/dbraw/zinc/99/28/36/331992836.db2.gz WWXVOPDBOROISE-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000127922420 332009190 /nfs/dbraw/zinc/00/91/90/332009190.db2.gz BBSDOHQPAOFTCR-ZDUSSCGKSA-N 1 0 322.817 4.477 20 5 DIBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)c1cccnc1 ZINC000518507862 332070419 /nfs/dbraw/zinc/07/04/19/332070419.db2.gz LTHVZCLPAPGBCJ-VSGCLNPGSA-N 1 0 311.385 4.086 20 5 DIBDRO C[C@H]([NH2+]CC(C)(C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000091959828 332097121 /nfs/dbraw/zinc/09/71/21/332097121.db2.gz WCRCLSUMSPSKAD-LBPRGKRZSA-N 1 0 304.415 4.285 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)s1 ZINC000559359082 332127938 /nfs/dbraw/zinc/12/79/38/332127938.db2.gz ODXNDJZLHVQGMV-UONOGXRCSA-N 1 0 320.389 4.304 20 5 DIBDRO CS[C@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180996925 332172829 /nfs/dbraw/zinc/17/28/29/332172829.db2.gz ISFRQTICVBYSRE-DYVFJYSZSA-N 1 0 316.426 4.025 20 5 DIBDRO CS[C@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180996963 332172967 /nfs/dbraw/zinc/17/29/67/332172967.db2.gz ISFRQTICVBYSRE-CXAGYDPISA-N 1 0 316.426 4.025 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc3sccc3c2)cc1[N+](=O)[O-] ZINC000564407107 332317884 /nfs/dbraw/zinc/31/78/84/332317884.db2.gz SUTJQOJHPPTVGL-UHFFFAOYSA-N 1 0 312.394 4.408 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2CF)s1 ZINC000560611894 332368266 /nfs/dbraw/zinc/36/82/66/332368266.db2.gz QZQFYHCKXIDKHC-LBPRGKRZSA-N 1 0 320.389 4.257 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000172724837 332634475 /nfs/dbraw/zinc/63/44/75/332634475.db2.gz ZJVRIZBYZZVMQE-CYBMUJFWSA-N 1 0 314.385 4.017 20 5 DIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccs1 ZINC000570361077 332744272 /nfs/dbraw/zinc/74/42/72/332744272.db2.gz JDAIJGAWKIQVJV-NSHDSACASA-N 1 0 315.398 4.031 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000580249304 333040868 /nfs/dbraw/zinc/04/08/68/333040868.db2.gz BYAAFYFRXWCKFR-JTQLQIEISA-N 1 0 308.428 4.229 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000314577077 333145672 /nfs/dbraw/zinc/14/56/72/333145672.db2.gz VNPIKQKJWQZFHW-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000522716713 333175146 /nfs/dbraw/zinc/17/51/46/333175146.db2.gz QFKKGQYJFLHEJV-HUUCEWRRSA-N 1 0 322.474 4.482 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC=CCC2)o1 ZINC000518780868 333183825 /nfs/dbraw/zinc/18/38/25/333183825.db2.gz DWRSTAWMTBTMIC-CQSZACIVSA-N 1 0 312.369 4.301 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1F ZINC000318615131 333194285 /nfs/dbraw/zinc/19/42/85/333194285.db2.gz REACPENXSGAIQU-INIZCTEOSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCSc3ccccc32)cccc1[N+](=O)[O-] ZINC000319174607 333269281 /nfs/dbraw/zinc/26/92/81/333269281.db2.gz JJYRXSMSNGUFFX-HNNXBMFYSA-N 1 0 314.410 4.230 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000319186353 333270937 /nfs/dbraw/zinc/27/09/37/333270937.db2.gz IKHDZSFRLWTYRB-QGZVFWFLSA-N 1 0 302.349 4.017 20 5 DIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000531202366 333330806 /nfs/dbraw/zinc/33/08/06/333330806.db2.gz ULQRNEXDGQSTCL-SWLSCSKDSA-N 1 0 302.399 4.034 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000531213147 333334979 /nfs/dbraw/zinc/33/49/79/333334979.db2.gz SZBDBYMUKCDAKK-YPMHNXCESA-N 1 0 316.323 4.053 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000062726451 333336181 /nfs/dbraw/zinc/33/61/81/333336181.db2.gz MPGFKRNVCYXACD-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO CCC[C@H]([NH2+]CCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000021516049 333423687 /nfs/dbraw/zinc/42/36/87/333423687.db2.gz NMGBSGIKBLOQCS-INIZCTEOSA-N 1 0 304.415 4.330 20 5 DIBDRO Cc1ccccc1C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000563268397 333516503 /nfs/dbraw/zinc/51/65/03/333516503.db2.gz KJKATSVVWWKQSQ-SFHVURJKSA-N 1 0 310.397 4.014 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000531758692 333553929 /nfs/dbraw/zinc/55/39/29/333553929.db2.gz BJEXPKISHUARJC-CYBMUJFWSA-N 1 0 312.360 4.386 20 5 DIBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000414277477 333932337 /nfs/dbraw/zinc/93/23/37/333932337.db2.gz ZKMMSQJDGGTRDW-HZMBPMFUSA-N 1 0 316.323 4.150 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CC(F)(F)F ZINC000414517698 334005105 /nfs/dbraw/zinc/00/51/05/334005105.db2.gz RCGYRURTNCZJPW-IGEMTJHASA-N 1 0 316.323 4.176 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531969576 334327662 /nfs/dbraw/zinc/32/76/62/334327662.db2.gz WBVBCGXTVHMSQN-KCQAQPDRSA-N 1 0 308.447 4.228 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000342318370 334532010 /nfs/dbraw/zinc/53/20/10/334532010.db2.gz ZOMYHRNWXGBHEY-GOSISDBHSA-N 1 0 314.360 4.210 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000417311869 334705030 /nfs/dbraw/zinc/70/50/30/334705030.db2.gz QMFBLDFUASQTBS-RJZRQDKASA-N 1 0 316.426 4.499 20 5 DIBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000537964070 335311506 /nfs/dbraw/zinc/31/15/06/335311506.db2.gz DWCHPKZSFNFGLU-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CCc1cnc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000346132261 335379572 /nfs/dbraw/zinc/37/95/72/335379572.db2.gz KSQPZYJMWYJHGF-UHFFFAOYSA-N 1 0 319.430 4.024 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000535734907 335747981 /nfs/dbraw/zinc/74/79/81/335747981.db2.gz YIYIULFOMFOIDB-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000532197926 335914586 /nfs/dbraw/zinc/91/45/86/335914586.db2.gz DQILBYUEIGMJSH-QGZVFWFLSA-N 1 0 302.374 4.170 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000532224213 335924744 /nfs/dbraw/zinc/92/47/44/335924744.db2.gz VGCWKLVBPRMBBS-IUODEOHRSA-N 1 0 314.410 4.401 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)cccc1[N+](=O)[O-] ZINC000331790037 336148473 /nfs/dbraw/zinc/14/84/73/336148473.db2.gz HTWBJKBTBDRHQF-OAHLLOKOSA-N 1 0 314.385 4.300 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000194384376 338517033 /nfs/dbraw/zinc/51/70/33/338517033.db2.gz NFZPKLVTDNRDQO-GHMZBOCLSA-N 1 0 319.430 4.388 20 5 DIBDRO C[C@@H]([NH2+]CCCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000526123962 336220378 /nfs/dbraw/zinc/22/03/78/336220378.db2.gz PTBLGFIASGNPKM-OAHLLOKOSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000532478542 336251381 /nfs/dbraw/zinc/25/13/81/336251381.db2.gz NKTOZELVMOORMY-DGCLKSJQSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000532529302 336253745 /nfs/dbraw/zinc/25/37/45/336253745.db2.gz RABGHEPGIHCAOZ-ZFWWWQNUSA-N 1 0 316.401 4.477 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3occc31)CCC2 ZINC000192657647 336258222 /nfs/dbraw/zinc/25/82/22/336258222.db2.gz FZONDMWAWFHIMY-DLBZAZTESA-N 1 0 312.369 4.232 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000192756779 336260497 /nfs/dbraw/zinc/26/04/97/336260497.db2.gz MBFZFMMUQCHPIA-SUMWQHHRSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000527041628 336280608 /nfs/dbraw/zinc/28/06/08/336280608.db2.gz FMPFGXFBDWWWQP-KRWDZBQOSA-N 1 0 320.339 4.156 20 5 DIBDRO Cc1cc(NCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2[nH+]1 ZINC000301688152 336323559 /nfs/dbraw/zinc/32/35/59/336323559.db2.gz VJBJQEQJTFVCQL-UHFFFAOYSA-N 1 0 311.316 4.203 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000389431106 336390523 /nfs/dbraw/zinc/39/05/23/336390523.db2.gz ULGQXIIRXQPBSL-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO CC(C)CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000353396435 336415266 /nfs/dbraw/zinc/41/52/66/336415266.db2.gz SWHDOBUHRFEMPZ-QGZVFWFLSA-N 1 0 302.374 4.455 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000359315262 336667293 /nfs/dbraw/zinc/66/72/93/336667293.db2.gz SFGHROWYKKYOHH-UGSOOPFHSA-N 1 0 313.401 4.354 20 5 DIBDRO CCC[C@H]([NH2+]CC1(CCOC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000123060764 337034930 /nfs/dbraw/zinc/03/49/30/337034930.db2.gz HVGXBVZYXCXHIL-KRWDZBQOSA-N 1 0 320.433 4.232 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](F)C3)s2)cc1 ZINC000582598058 337111473 /nfs/dbraw/zinc/11/14/73/337111473.db2.gz LTNIXWZSESLSPI-OLZOCXBDSA-N 1 0 320.389 4.304 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000186929656 337260532 /nfs/dbraw/zinc/26/05/32/337260532.db2.gz MYDIQQRWQWLVDD-UHFFFAOYSA-N 1 0 302.399 4.036 20 5 DIBDRO Cc1cccc2c1OCC[C@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188872619 337275932 /nfs/dbraw/zinc/27/59/32/337275932.db2.gz ZGYZRUUUAZVCOY-ZGRWHYIRSA-N 1 0 324.380 4.030 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421378708 337528994 /nfs/dbraw/zinc/52/89/94/337528994.db2.gz VYHMKJOFKTZZEW-INIZCTEOSA-N 1 0 320.339 4.389 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(Cl)c1 ZINC000572303008 337605527 /nfs/dbraw/zinc/60/55/27/337605527.db2.gz WMYXRYKCJQNSAX-HNNXBMFYSA-N 1 0 302.761 4.025 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421893231 337659435 /nfs/dbraw/zinc/65/94/35/337659435.db2.gz WWTZKSBPDLBRBB-ZFWWWQNUSA-N 1 0 320.458 4.087 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000035055441 337741080 /nfs/dbraw/zinc/74/10/80/337741080.db2.gz QSUHBDLFVSZVND-HNNXBMFYSA-N 1 0 304.777 4.489 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC34CC4)o2)c(Cl)c1 ZINC000424186332 337802049 /nfs/dbraw/zinc/80/20/49/337802049.db2.gz RWTRMVKUDSCLIT-HNNXBMFYSA-N 1 0 318.760 4.150 20 5 DIBDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000118840352 337851971 /nfs/dbraw/zinc/85/19/71/337851971.db2.gz SJVLPDCUYKJJTK-WMLDXEAASA-N 1 0 313.401 4.346 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000122022018 337903317 /nfs/dbraw/zinc/90/33/17/337903317.db2.gz SXSHSVALNZPYQP-OLZOCXBDSA-N 1 0 302.349 4.454 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000061028642 337924375 /nfs/dbraw/zinc/92/43/75/337924375.db2.gz BZTOXYIBWCLPOD-QGZVFWFLSA-N 1 0 316.788 4.489 20 5 DIBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537246294 337927355 /nfs/dbraw/zinc/92/73/55/337927355.db2.gz HUEYZBHPZHSRRS-QWRGUYRKSA-N 1 0 320.776 4.254 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000537400896 337935462 /nfs/dbraw/zinc/93/54/62/337935462.db2.gz IUHKOHWNDCVXRX-TZMCWYRMSA-N 1 0 318.442 4.494 20 5 DIBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc2[nH]ccc21 ZINC000426389013 338030101 /nfs/dbraw/zinc/03/01/01/338030101.db2.gz JTJMPGQIMXETDI-VMPITWQZSA-N 1 0 321.380 4.221 20 5 DIBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429262111 338075211 /nfs/dbraw/zinc/07/52/11/338075211.db2.gz DJXZQCAEOZAOBU-PBHICJAKSA-N 1 0 320.433 4.015 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000430007466 338093286 /nfs/dbraw/zinc/09/32/86/338093286.db2.gz RNXHZAQSYCZMNB-CYBMUJFWSA-N 1 0 312.360 4.243 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)cc1 ZINC000430195261 338100742 /nfs/dbraw/zinc/10/07/42/338100742.db2.gz OASALZSYRXMUDL-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000430200646 338101093 /nfs/dbraw/zinc/10/10/93/338101093.db2.gz BDPVLERFWUKKCK-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000430740237 338112890 /nfs/dbraw/zinc/11/28/90/338112890.db2.gz GBIAVZFSAXENAQ-XHDPSFHLSA-N 1 0 324.371 4.342 20 5 DIBDRO C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000432248409 338150533 /nfs/dbraw/zinc/15/05/33/338150533.db2.gz ZKXYKXJQSQYYLA-CBCUQQMYSA-N 1 0 320.433 4.229 20 5 DIBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+](C2CCCC2)CC1 ZINC000432326990 338153066 /nfs/dbraw/zinc/15/30/66/338153066.db2.gz DZAYDVXNRIHOGA-UHFFFAOYSA-N 1 0 323.824 4.067 20 5 DIBDRO CC1(C)C[C@H]([NH2+]C2CCC(F)(F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433299597 338190300 /nfs/dbraw/zinc/19/03/00/338190300.db2.gz BZKCFLGBSXSFRM-HNNXBMFYSA-N 1 0 324.371 4.485 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000152800602 338212170 /nfs/dbraw/zinc/21/21/70/338212170.db2.gz MPGHTIQUNCECKW-UGSOOPFHSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCCC2 ZINC000153357588 338223132 /nfs/dbraw/zinc/22/31/32/338223132.db2.gz UKGJMNCEXVIHTM-LBPRGKRZSA-N 1 0 316.426 4.386 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000437113339 338301589 /nfs/dbraw/zinc/30/15/89/338301589.db2.gz WRGKMDXPGFNTFQ-GWCFXTLKSA-N 1 0 304.312 4.222 20 5 DIBDRO CC[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000442778037 338430519 /nfs/dbraw/zinc/43/05/19/338430519.db2.gz JVGPHTWTAPIGRI-ABIUDSBCSA-N 1 0 312.360 4.459 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000447545746 338556111 /nfs/dbraw/zinc/55/61/11/338556111.db2.gz ZCHADHIMRLGPQA-IBGZPJMESA-N 1 0 310.397 4.379 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(Cl)s1 ZINC000449093816 338592862 /nfs/dbraw/zinc/59/28/62/338592862.db2.gz YSTDLBQQZRISTK-LLVKDONJSA-N 1 0 324.833 4.073 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000449350750 338616607 /nfs/dbraw/zinc/61/66/07/338616607.db2.gz NCCKNHPDEGEDPM-QGZVFWFLSA-N 1 0 318.323 4.040 20 5 DIBDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000194619367 338646478 /nfs/dbraw/zinc/64/64/78/338646478.db2.gz RKEFUUFXRCTFGS-AWEZNQCLSA-N 1 0 314.385 4.234 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000451102933 338721162 /nfs/dbraw/zinc/72/11/62/338721162.db2.gz LOYMPSDFNATXCN-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453406305 338839287 /nfs/dbraw/zinc/83/92/87/338839287.db2.gz FOBARSMCLJAMQK-RHSMWYFYSA-N 1 0 320.433 4.231 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000464725332 339150050 /nfs/dbraw/zinc/15/00/50/339150050.db2.gz NGLKWUSKYBVLSH-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3ccccc3)C2)c(Cl)c1 ZINC000466420827 339203859 /nfs/dbraw/zinc/20/38/59/339203859.db2.gz HDMNPQANLVHGSZ-UHFFFAOYSA-N 1 0 316.788 4.284 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000467189508 339227505 /nfs/dbraw/zinc/22/75/05/339227505.db2.gz DXQSCENFCKTLGW-LSDHHAIUSA-N 1 0 318.417 4.127 20 5 DIBDRO COCC[C@H]1CCCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000467276373 339229693 /nfs/dbraw/zinc/22/96/93/339229693.db2.gz AUAXFRHKOHHJLV-JKSUJKDBSA-N 1 0 320.433 4.103 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2cc[nH]c21 ZINC000467392118 339236467 /nfs/dbraw/zinc/23/64/67/339236467.db2.gz UTPCBMHDEMJWIF-AWEZNQCLSA-N 1 0 323.396 4.187 20 5 DIBDRO C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000467853868 339247710 /nfs/dbraw/zinc/24/77/10/339247710.db2.gz JJYXEFKWJDRWSG-CQSZACIVSA-N 1 0 323.396 4.360 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000467857588 339247772 /nfs/dbraw/zinc/24/77/72/339247772.db2.gz ZUNPCCBTTVACAI-NEPJUHHUSA-N 1 0 320.339 4.327 20 5 DIBDRO C[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000467999065 339250739 /nfs/dbraw/zinc/25/07/39/339250739.db2.gz WFGTZLRAZXHCQS-ZDUSSCGKSA-N 1 0 318.804 4.184 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCC2 ZINC000467996271 339250743 /nfs/dbraw/zinc/25/07/43/339250743.db2.gz TYHGJDNFSWNJLB-GFCCVEGCSA-N 1 0 316.426 4.038 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000468006466 339251001 /nfs/dbraw/zinc/25/10/01/339251001.db2.gz RMMQBRUMHFKQBL-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C/C=C\c1ccccc1 ZINC000468593729 339266936 /nfs/dbraw/zinc/26/69/36/339266936.db2.gz BNYKNTYAWAAETP-NZSUIAPYSA-N 1 0 308.381 4.301 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C/C=C\c1ccccc1 ZINC000468593731 339266968 /nfs/dbraw/zinc/26/69/68/339266968.db2.gz BNYKNTYAWAAETP-RSZNUKOESA-N 1 0 308.381 4.301 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1Cc2ccccc2C1 ZINC000468655668 339268239 /nfs/dbraw/zinc/26/82/39/339268239.db2.gz NJQRKYIYEDGRFL-OQLLNIDSSA-N 1 0 322.408 4.003 20 5 DIBDRO CCO[C@@H](CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468745071 339269656 /nfs/dbraw/zinc/26/96/56/339269656.db2.gz PRXQTSQDPWSJFA-OTMARIDSSA-N 1 0 320.433 4.039 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc2c(c1)C[N@H+](C)C2 ZINC000468971878 339276364 /nfs/dbraw/zinc/27/63/64/339276364.db2.gz LYGTUIPRJGDLON-RIYZIHGNSA-N 1 0 323.396 4.056 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc2c(c1)C[N@H+](C)C2 ZINC000468972100 339276434 /nfs/dbraw/zinc/27/64/34/339276434.db2.gz LYGTUIPRJGDLON-ZSOIEALJSA-N 1 0 323.396 4.056 20 5 DIBDRO CSCC[C@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174031 339312843 /nfs/dbraw/zinc/31/28/43/339312843.db2.gz HMENDYMRGMBOQC-UELRPHRMSA-N 1 0 308.447 4.072 20 5 DIBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000472603485 339375054 /nfs/dbraw/zinc/37/50/54/339375054.db2.gz SSCGJAYFDOHTEX-ZADAKVKWSA-N 1 0 323.396 4.086 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)c1ccccc1[N+](=O)[O-] ZINC000474049494 339399192 /nfs/dbraw/zinc/39/91/92/339399192.db2.gz ZATWOVWHDLXXTM-VXGBXAGGSA-N 1 0 312.360 4.459 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475328477 339446687 /nfs/dbraw/zinc/44/66/87/339446687.db2.gz BUODRHRIDSJGRI-PBHICJAKSA-N 1 0 314.360 4.160 20 5 DIBDRO COC1CCC(C)(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000479456303 339535975 /nfs/dbraw/zinc/53/59/75/339535975.db2.gz UKIBHDUHHBYXBY-NXVRBGIVSA-N 1 0 320.433 4.149 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000480090292 339558642 /nfs/dbraw/zinc/55/86/42/339558642.db2.gz IJLRQCYZELLFOZ-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000480724530 339584818 /nfs/dbraw/zinc/58/48/18/339584818.db2.gz VSXSDDQQIDONKP-QILLFSRXSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000481045039 339594284 /nfs/dbraw/zinc/59/42/84/339594284.db2.gz GBWPISOJXNOZAS-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000481815699 339614486 /nfs/dbraw/zinc/61/44/86/339614486.db2.gz NYDUFLAZKPHYFT-CABCVRRESA-N 1 0 314.360 4.160 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000482486409 339632998 /nfs/dbraw/zinc/63/29/98/339632998.db2.gz MUHVPEOFSSJFDM-GFCCVEGCSA-N 1 0 316.426 4.038 20 5 DIBDRO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000492192827 339893908 /nfs/dbraw/zinc/89/39/08/339893908.db2.gz KAUKMABUHCFDSA-UHFFFAOYSA-N 1 0 304.415 4.298 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CC=CCC2)c2ccccc2)c1 ZINC000494039521 339939605 /nfs/dbraw/zinc/93/96/05/339939605.db2.gz PHYJACDVUSSVRG-MJGOQNOKSA-N 1 0 308.381 4.383 20 5 DIBDRO CCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000499969468 340047901 /nfs/dbraw/zinc/04/79/01/340047901.db2.gz SYZHKMJKLQCBTM-UHFFFAOYSA-N 1 0 318.348 4.416 20 5 DIBDRO C[C@@H]1C[C@@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000500419058 340057723 /nfs/dbraw/zinc/05/77/23/340057723.db2.gz AHHHPSGJFZISJO-PXAZEXFGSA-N 1 0 316.788 4.273 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1CCC(F)(F)CC1 ZINC000500427315 340058274 /nfs/dbraw/zinc/05/82/74/340058274.db2.gz HMCGCZMWOFOBIW-HYXAFXHYSA-N 1 0 310.344 4.023 20 5 DIBDRO C[C@@H]([NH2+]CCSC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000501016267 340072382 /nfs/dbraw/zinc/07/23/82/340072382.db2.gz UEKOVKKJAHBUBR-CYBMUJFWSA-N 1 0 308.447 4.311 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000501216479 340076325 /nfs/dbraw/zinc/07/63/25/340076325.db2.gz HCOBEQBETVYJAK-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000501950555 340091336 /nfs/dbraw/zinc/09/13/36/340091336.db2.gz SQHRDXGIWFXIJC-ZDUSSCGKSA-N 1 0 318.804 4.184 20 5 DIBDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502504793 340106366 /nfs/dbraw/zinc/10/63/66/340106366.db2.gz BGJXHKUFQIKJGS-VQIMIIECSA-N 1 0 310.397 4.318 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000502591102 340108641 /nfs/dbraw/zinc/10/86/41/340108641.db2.gz KHEAIEPGFZXQCZ-CHWSQXEVSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000503854414 340135125 /nfs/dbraw/zinc/13/51/25/340135125.db2.gz BJRWWJPAWXQFNO-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000505853219 340179761 /nfs/dbraw/zinc/17/97/61/340179761.db2.gz IVMRGACNGCGQAI-INIZCTEOSA-N 1 0 306.381 4.279 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC)Cc1cccs1 ZINC000506025703 340183656 /nfs/dbraw/zinc/18/36/56/340183656.db2.gz GVNWIAFYIYOLQW-UHFFFAOYSA-N 1 0 320.414 4.077 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000506116184 340186061 /nfs/dbraw/zinc/18/60/61/340186061.db2.gz RFXUUGKFQXYCMS-CQSZACIVSA-N 1 0 302.399 4.302 20 5 DIBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000506191730 340188166 /nfs/dbraw/zinc/18/81/66/340188166.db2.gz KIOTTWQWYNPBIW-XQRVVYSFSA-N 1 0 318.323 4.018 20 5 DIBDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000506324781 340192271 /nfs/dbraw/zinc/19/22/71/340192271.db2.gz GMDGYVMTHGVCEJ-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000506324782 340192347 /nfs/dbraw/zinc/19/23/47/340192347.db2.gz GMDGYVMTHGVCEJ-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO CCC[C@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000507024059 340205544 /nfs/dbraw/zinc/20/55/44/340205544.db2.gz YWETZCFEYWQCPT-LBPRGKRZSA-N 1 0 319.430 4.339 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000507197957 340212758 /nfs/dbraw/zinc/21/27/58/340212758.db2.gz SXDOFWYDNOKTLQ-DOTOQJQBSA-N 1 0 310.397 4.454 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)c1cccs1 ZINC000507432633 340219302 /nfs/dbraw/zinc/21/93/02/340219302.db2.gz IWDBVWKNWJFMIZ-GFCCVEGCSA-N 1 0 320.414 4.248 20 5 DIBDRO CC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000402605750 340246401 /nfs/dbraw/zinc/24/64/01/340246401.db2.gz PIGKUSCPIAOIJH-GHMZBOCLSA-N 1 0 304.312 4.224 20 5 DIBDRO CCCN(Cc1csc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000508588341 340247004 /nfs/dbraw/zinc/24/70/04/340247004.db2.gz ORCOMUIHEWWANN-UHFFFAOYSA-N 1 0 308.378 4.208 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000510665840 340305635 /nfs/dbraw/zinc/30/56/35/340305635.db2.gz RZWISLQCUBTDCZ-LJQANCHMSA-N 1 0 308.381 4.247 20 5 DIBDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000510975880 340316774 /nfs/dbraw/zinc/31/67/74/340316774.db2.gz LBCDORQOEJLOQY-XJKSGUPXSA-N 1 0 308.422 4.005 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000511564160 340330849 /nfs/dbraw/zinc/33/08/49/340330849.db2.gz PNTDAGSLLOKOOK-QGZVFWFLSA-N 1 0 316.788 4.238 20 5 DIBDRO C[C@@H](c1ccco1)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000511753125 340337141 /nfs/dbraw/zinc/33/71/41/340337141.db2.gz FIWHBZAWAYUFMI-GBXSZLQWSA-N 1 0 312.369 4.427 20 5 DIBDRO C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000511991009 340344572 /nfs/dbraw/zinc/34/45/72/340344572.db2.gz QJQKWPSQEXQXEN-RXNFCKPNSA-N 1 0 318.323 4.237 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173426830 340364803 /nfs/dbraw/zinc/36/48/03/340364803.db2.gz XUCUSDXINKLDRW-LXZKKBNFSA-N 1 0 320.433 4.087 20 5 DIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000513194039 340396345 /nfs/dbraw/zinc/39/63/45/340396345.db2.gz LCDWYHUDADCLHC-MRXNPFEDSA-N 1 0 319.430 4.151 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1cccc([N+](=O)[O-])c1 ZINC000513858277 340428790 /nfs/dbraw/zinc/42/87/90/340428790.db2.gz XBUSEECRZANIJV-ROUUACIJSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178657372 340451283 /nfs/dbraw/zinc/45/12/83/340451283.db2.gz NONARSBPFJSWHW-QRTARXTBSA-N 1 0 320.433 4.087 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000088511455 340461462 /nfs/dbraw/zinc/46/14/62/340461462.db2.gz KRFLAOOLASJADC-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO COCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000184732225 340495388 /nfs/dbraw/zinc/49/53/88/340495388.db2.gz YVSSQVWDRQRJCX-HNNXBMFYSA-N 1 0 320.433 4.232 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCSCC2)cc1[N+](=O)[O-] ZINC000187360677 340519292 /nfs/dbraw/zinc/51/92/92/340519292.db2.gz OKLLJGMZUXTSQP-CHWSQXEVSA-N 1 0 308.447 4.086 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](SC)C1)c1cccc([N+](=O)[O-])c1 ZINC000223719533 340547339 /nfs/dbraw/zinc/54/73/39/340547339.db2.gz NJVCAKAAJKPDRS-BMFZPTHFSA-N 1 0 308.447 4.310 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000523391968 340623000 /nfs/dbraw/zinc/62/30/00/340623000.db2.gz VLYBBBGVIDVCAL-CHWSQXEVSA-N 1 0 302.374 4.379 20 5 DIBDRO CC1(C)CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000236749595 340664599 /nfs/dbraw/zinc/66/45/99/340664599.db2.gz JCCFNMWYXBOPCP-SFHVURJKSA-N 1 0 310.397 4.497 20 5 DIBDRO Cc1c(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000237603091 340672629 /nfs/dbraw/zinc/67/26/29/340672629.db2.gz YGALFAPAZFJRJE-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO Cc1ccc2cc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)ccc2n1 ZINC000326376826 340714460 /nfs/dbraw/zinc/71/44/60/340714460.db2.gz KZUKPEHDIPYBRR-UHFFFAOYSA-N 1 0 321.380 4.050 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177033 340769348 /nfs/dbraw/zinc/76/93/48/340769348.db2.gz LVDDCTIDOPPRPS-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000537983333 340795571 /nfs/dbraw/zinc/79/55/71/340795571.db2.gz HEMKVWLIDFHOIQ-QILLFSRXSA-N 1 0 310.397 4.185 20 5 DIBDRO CC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000538392099 340820279 /nfs/dbraw/zinc/82/02/79/340820279.db2.gz JYKOCTUHBJAJMM-OAHLLOKOSA-N 1 0 317.389 4.164 20 5 DIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000538703569 340838890 /nfs/dbraw/zinc/83/88/90/340838890.db2.gz QQRCEGKHRLUCBQ-SFHVURJKSA-N 1 0 314.385 4.090 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000539037876 340866037 /nfs/dbraw/zinc/86/60/37/340866037.db2.gz POTOFLGCRFBGHA-BPQIPLTHSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000539365503 340882585 /nfs/dbraw/zinc/88/25/85/340882585.db2.gz XOHZBISNYJXPDU-GFCCVEGCSA-N 1 0 320.414 4.003 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000540160866 340919021 /nfs/dbraw/zinc/91/90/21/340919021.db2.gz PHSZPRQLLADOFT-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540314700 340926419 /nfs/dbraw/zinc/92/64/19/340926419.db2.gz VCCLSYYWVNIWCZ-KGLIPLIRSA-N 1 0 313.401 4.272 20 5 DIBDRO Cc1c(C[NH2+]C2(c3ccccc3)CCCC2)cccc1[N+](=O)[O-] ZINC000540387766 340929072 /nfs/dbraw/zinc/92/90/72/340929072.db2.gz AUBMIHFJBINHRE-UHFFFAOYSA-N 1 0 310.397 4.462 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000540778892 340945583 /nfs/dbraw/zinc/94/55/83/340945583.db2.gz POSOXMBUPVCVDL-XHSDSOJGSA-N 1 0 320.433 4.148 20 5 DIBDRO CS[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000541568032 340975052 /nfs/dbraw/zinc/97/50/52/340975052.db2.gz ZTLDNQKTCCQCSP-WFASDCNBSA-N 1 0 310.463 4.332 20 5 DIBDRO CCc1ccc([C@@H]([NH2+]C2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542476994 341009170 /nfs/dbraw/zinc/00/91/70/341009170.db2.gz KMLIMYBTEKXIQR-SFHVURJKSA-N 1 0 314.385 4.372 20 5 DIBDRO Cc1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CCC2)o1 ZINC000542668622 341016510 /nfs/dbraw/zinc/01/65/10/341016510.db2.gz OPBQKIVZTDJXJG-GOSISDBHSA-N 1 0 314.385 4.170 20 5 DIBDRO Cc1csc([C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000543599547 341050325 /nfs/dbraw/zinc/05/03/25/341050325.db2.gz ZMGDYPMTVUCIMP-DGCLKSJQSA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000543632172 341052242 /nfs/dbraw/zinc/05/22/42/341052242.db2.gz VYOGVEMHEPSTTE-MRXNPFEDSA-N 1 0 302.399 4.302 20 5 DIBDRO CCc1ccc([C@@H]([NH2+]CC(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544362438 341078097 /nfs/dbraw/zinc/07/80/97/341078097.db2.gz KUVGOZBMHWCAKG-KRWDZBQOSA-N 1 0 302.374 4.085 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000544364456 341078361 /nfs/dbraw/zinc/07/83/61/341078361.db2.gz AFWHEKFTHJICNL-GJZGRUSLSA-N 1 0 320.433 4.013 20 5 DIBDRO CCC[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000544374573 341078939 /nfs/dbraw/zinc/07/89/39/341078939.db2.gz VZJJXGLYYVIIPJ-RKVPGOIHSA-N 1 0 320.433 4.231 20 5 DIBDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000544611589 341088989 /nfs/dbraw/zinc/08/89/89/341088989.db2.gz HELDGWGNPWYYPK-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1ccc([C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C2CCC2)o1 ZINC000544614954 341089277 /nfs/dbraw/zinc/08/92/77/341089277.db2.gz VEJFNHVCINEWEA-GOSISDBHSA-N 1 0 314.385 4.170 20 5 DIBDRO CCOc1ccccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000132218633 341118606 /nfs/dbraw/zinc/11/86/06/341118606.db2.gz MBNBTQFTKMURQB-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000546165498 341155199 /nfs/dbraw/zinc/15/51/99/341155199.db2.gz HJXKMUQSPRJRNB-MNOVXSKESA-N 1 0 304.312 4.285 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000546165495 341155217 /nfs/dbraw/zinc/15/52/17/341155217.db2.gz HJXKMUQSPRJRNB-GHMZBOCLSA-N 1 0 304.312 4.285 20 5 DIBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000546871458 341184431 /nfs/dbraw/zinc/18/44/31/341184431.db2.gz KFGBDYDOIBQHQB-AAEUAGOBSA-N 1 0 318.339 4.237 20 5 DIBDRO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000547393299 341210624 /nfs/dbraw/zinc/21/06/24/341210624.db2.gz QEQAPARUQMKWKQ-STJZUHDESA-N 1 0 310.397 4.366 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000547831497 341236174 /nfs/dbraw/zinc/23/61/74/341236174.db2.gz LEAAJBLJHPYPLP-WBAXXEDZSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000078971035 341250901 /nfs/dbraw/zinc/25/09/01/341250901.db2.gz LOQUJGSCETYEAR-GHMZBOCLSA-N 1 0 306.312 4.285 20 5 DIBDRO CC[NH+](CC)Cc1cccc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000078993796 341251610 /nfs/dbraw/zinc/25/16/10/341251610.db2.gz UYZOOORMVKACCE-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO O=[N+]([O-])c1cc(CNC2(c3ccc(F)cc3F)CCC2)cs1 ZINC000136133757 341253395 /nfs/dbraw/zinc/25/33/95/341253395.db2.gz UZHCDPATAQKDSO-UHFFFAOYSA-N 1 0 324.352 4.104 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000079121711 341254022 /nfs/dbraw/zinc/25/40/22/341254022.db2.gz XSBYHJDIOMJLOT-OLZOCXBDSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000549235827 341289302 /nfs/dbraw/zinc/28/93/02/341289302.db2.gz OXKPKYXBHGLGMA-NFAWXSAZSA-N 1 0 320.433 4.148 20 5 DIBDRO CCC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549527539 341296436 /nfs/dbraw/zinc/29/64/36/341296436.db2.gz QPSLNSCOVAQTEU-UHFFFAOYSA-N 1 0 304.312 4.234 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551406723 341340799 /nfs/dbraw/zinc/34/07/99/341340799.db2.gz PGQOHOUNKKFFMD-NSHDSACASA-N 1 0 316.323 4.320 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000249310644 341396350 /nfs/dbraw/zinc/39/63/50/341396350.db2.gz LTRNRFYTFLHXOW-CYZMBNFOSA-N 1 0 316.323 4.367 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000552923858 341408939 /nfs/dbraw/zinc/40/89/39/341408939.db2.gz XQXFRQYDBNYXSV-BHYGNILZSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000090964130 341420855 /nfs/dbraw/zinc/42/08/55/341420855.db2.gz NZFMMCXMVMHULQ-SGTLLEGYSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091937356 341429460 /nfs/dbraw/zinc/42/94/60/341429460.db2.gz ZPMOETIHIRGOAH-VXGBXAGGSA-N 1 0 317.414 4.091 20 5 DIBDRO COCC(C)(C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000554089711 341443724 /nfs/dbraw/zinc/44/37/24/341443724.db2.gz YNWFISDPUGGOLS-CQSZACIVSA-N 1 0 308.422 4.007 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc2ccccc2s1 ZINC000555590982 341486239 /nfs/dbraw/zinc/48/62/39/341486239.db2.gz PPEYNGDEMVKQDD-UHFFFAOYSA-N 1 0 312.394 4.408 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000155889692 341614326 /nfs/dbraw/zinc/61/43/26/341614326.db2.gz SQELHILGMRYXNM-BMIGLBTASA-N 1 0 303.362 4.002 20 5 DIBDRO Cc1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000158728004 341663379 /nfs/dbraw/zinc/66/33/79/341663379.db2.gz OYPGBLXGBBJMFT-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572967581 341711651 /nfs/dbraw/zinc/71/16/51/341711651.db2.gz LXZGPNBXWZYZQW-NXEZZACHSA-N 1 0 304.312 4.138 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1Cl ZINC000576958430 341872145 /nfs/dbraw/zinc/87/21/45/341872145.db2.gz ZVJIBRHBYNDSTK-HNNXBMFYSA-N 1 0 302.761 4.025 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCc2occc21 ZINC000577457164 341910571 /nfs/dbraw/zinc/91/05/71/341910571.db2.gz DUFWIINYRYTNHA-AWEZNQCLSA-N 1 0 320.776 4.051 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000178729908 341963105 /nfs/dbraw/zinc/96/31/05/341963105.db2.gz BHKQNRSCFQDDDM-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccs1)CCCC2 ZINC000417328373 518203043 /nfs/dbraw/zinc/20/30/43/518203043.db2.gz SMAKZIJBXBHYDW-INIZCTEOSA-N 1 0 302.399 4.214 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCc2sccc21 ZINC000574414477 518203099 /nfs/dbraw/zinc/20/30/99/518203099.db2.gz NHGUQBWDKYXEIR-LSDHHAIUSA-N 1 0 314.410 4.311 20 5 DIBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000164115649 519795266 /nfs/dbraw/zinc/79/52/66/519795266.db2.gz HWWKBTKPPKUYRM-RDTXWAMCSA-N 1 0 313.401 4.080 20 5 DIBDRO COCC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000338019015 521977502 /nfs/dbraw/zinc/97/75/02/521977502.db2.gz NWPGUXDORFTNQA-SJORKVTESA-N 1 0 320.433 4.013 20 5 DIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000160459855 524074246 /nfs/dbraw/zinc/07/42/46/524074246.db2.gz YEWILPJSVOXBEX-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000152791802 525163450 /nfs/dbraw/zinc/16/34/50/525163450.db2.gz JTIDPFYZAJDKBY-VXGBXAGGSA-N 1 0 318.348 4.154 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc([N+](=O)[O-])cc1 ZINC000267415616 525583256 /nfs/dbraw/zinc/58/32/56/525583256.db2.gz JCLNFXWXXFQUAA-APPDUMDISA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000268797851 525897473 /nfs/dbraw/zinc/89/74/73/525897473.db2.gz JBASMHWTGNSDRF-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000191213905 525902064 /nfs/dbraw/zinc/90/20/64/525902064.db2.gz ZKBKAUOQVVEHCQ-CHWSQXEVSA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000127228815 525938056 /nfs/dbraw/zinc/93/80/56/525938056.db2.gz AFCPRGDQFUTPBF-GOEBONIOSA-N 1 0 318.417 4.046 20 5 DIBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000610216016 1035751204 /nfs/dbraw/zinc/75/12/04/1035751204.db2.gz BMWCANNQKTXGEZ-HNAYVOBHSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@H]([NH2+]CCCF)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000127013612 1035797930 /nfs/dbraw/zinc/79/79/30/1035797930.db2.gz BIQIKUNMQHCZKX-NSHDSACASA-N 1 0 308.378 4.334 20 5 DIBDRO Cc1ccccc1CC(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000609223704 1035966271 /nfs/dbraw/zinc/96/62/71/1035966271.db2.gz ISJJMQYQXQGJLL-UHFFFAOYSA-N 1 0 312.413 4.323 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CCCCC2)C2CC2)cc1F ZINC001167094094 1035981362 /nfs/dbraw/zinc/98/13/62/1035981362.db2.gz CSSGBOKRCGUDTG-UHFFFAOYSA-N 1 0 306.381 4.279 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000070788204 1036266062 /nfs/dbraw/zinc/26/60/62/1036266062.db2.gz MPESSTNWZWFISU-MNOVXSKESA-N 1 0 306.312 4.285 20 5 DIBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000578566270 1036376350 /nfs/dbraw/zinc/37/63/50/1036376350.db2.gz KCQJDRJVNVDPMF-UHFFFAOYSA-N 1 0 318.751 4.258 20 5 DIBDRO CCOc1cc(C[N@H+]([C@@H](C)[C@@H](C)CC)C2CC2)ccc1[N+](=O)[O-] ZINC001167356338 1036963595 /nfs/dbraw/zinc/96/35/95/1036963595.db2.gz MSIYNRPWVXNVTB-KBPBESRZSA-N 1 0 320.433 4.393 20 5 DIBDRO CCOc1cc(C[N@H+]([C@H](C)[C@@H](C)CC)C2CC2)ccc1[N+](=O)[O-] ZINC001167356340 1036963819 /nfs/dbraw/zinc/96/38/19/1036963819.db2.gz MSIYNRPWVXNVTB-UONOGXRCSA-N 1 0 320.433 4.393 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000610395514 1036993718 /nfs/dbraw/zinc/99/37/18/1036993718.db2.gz QPNSZGNQSZZUAF-UHFFFAOYSA-N 1 0 316.323 4.053 20 5 DIBDRO Cc1cccc([C@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000255331887 1037032493 /nfs/dbraw/zinc/03/24/93/1037032493.db2.gz ABJFZORHVWUKCG-FVXMCEBTSA-N 1 0 323.396 4.149 20 5 DIBDRO CSc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119263363 1037245820 /nfs/dbraw/zinc/24/58/20/1037245820.db2.gz YXRSPVQMQWOMFA-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO Cc1c(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000561157543 1037262558 /nfs/dbraw/zinc/26/25/58/1037262558.db2.gz SUNOKQOBFJYTRO-UHFFFAOYSA-N 1 0 316.788 4.336 20 5 DIBDRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000579794228 1037265664 /nfs/dbraw/zinc/26/56/64/1037265664.db2.gz TUSPKPGGFNLFSR-SJKOYZFVSA-N 1 0 316.426 4.255 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000581396393 1037580270 /nfs/dbraw/zinc/58/02/70/1037580270.db2.gz AECGVEWHEOHYHZ-ILCZHQDMSA-N 1 0 323.396 4.230 20 5 DIBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582553 1037642249 /nfs/dbraw/zinc/64/22/49/1037642249.db2.gz XTEIMDQGGIYWLA-DOMZBBRYSA-N 1 0 317.389 4.137 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000834885104 1037708137 /nfs/dbraw/zinc/70/81/37/1037708137.db2.gz SZCPMPNJKNOFAV-GXFFZTMASA-N 1 0 317.216 4.138 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000610511676 1037770021 /nfs/dbraw/zinc/77/00/21/1037770021.db2.gz YIAQSHBVHWUJKC-WCQYABFASA-N 1 0 316.323 4.053 20 5 DIBDRO OC1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000060815489 1038037892 /nfs/dbraw/zinc/03/78/92/1038037892.db2.gz WJVYRAPXFBEPLC-UHFFFAOYSA-N 1 0 305.421 4.386 20 5 DIBDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)cc2c1C ZINC000065013576 1038056393 /nfs/dbraw/zinc/05/63/93/1038056393.db2.gz PXOPQWCLCCMMPN-UHFFFAOYSA-N 1 0 323.396 4.291 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000061015995 1038165093 /nfs/dbraw/zinc/16/50/93/1038165093.db2.gz IFTURQZNPDDZOL-AWEZNQCLSA-N 1 0 316.401 4.422 20 5 DIBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582170 1038203005 /nfs/dbraw/zinc/20/30/05/1038203005.db2.gz FMNRXWVGYZTTOT-SWLSCSKDSA-N 1 0 317.389 4.137 20 5 DIBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581731 1038203889 /nfs/dbraw/zinc/20/38/89/1038203889.db2.gz LJJMUQQUMVVHTR-NEPJUHHUSA-N 1 0 317.389 4.135 20 5 DIBDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000598997035 1038216911 /nfs/dbraw/zinc/21/69/11/1038216911.db2.gz SWONWGKFJRBLBL-SAABIXHNSA-N 1 0 320.433 4.058 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000603855698 1038301784 /nfs/dbraw/zinc/30/17/84/1038301784.db2.gz FDWQCGJTVUTSBX-GOSISDBHSA-N 1 0 310.397 4.192 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000603855699 1038301871 /nfs/dbraw/zinc/30/18/71/1038301871.db2.gz FDWQCGJTVUTSBX-SFHVURJKSA-N 1 0 310.397 4.192 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC(F)(F)C3)o2)cc1 ZINC000610787754 1038307800 /nfs/dbraw/zinc/30/78/00/1038307800.db2.gz JXIVMZDUTQSQTC-GFCCVEGCSA-N 1 0 322.311 4.132 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000603882146 1038311703 /nfs/dbraw/zinc/31/17/03/1038311703.db2.gz PVIFOILXQVFWGV-INIZCTEOSA-N 1 0 302.399 4.036 20 5 DIBDRO C[C@H](c1cccs1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012507 1038339997 /nfs/dbraw/zinc/33/99/97/1038339997.db2.gz JCONORIYUCQZNH-CYBMUJFWSA-N 1 0 320.414 4.118 20 5 DIBDRO C[C@@H](c1ccccc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012572 1038340192 /nfs/dbraw/zinc/34/01/92/1038340192.db2.gz RENLYDOHGOFAHT-HNNXBMFYSA-N 1 0 314.385 4.057 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000610805794 1038349757 /nfs/dbraw/zinc/34/97/57/1038349757.db2.gz SXNQQLGDVCYGEA-SJKOYZFVSA-N 1 0 314.410 4.234 20 5 DIBDRO CCC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000610831181 1038372483 /nfs/dbraw/zinc/37/24/83/1038372483.db2.gz IEDIRINVSWFPTH-KDOFPFPSSA-N 1 0 313.401 4.224 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000610831182 1038372936 /nfs/dbraw/zinc/37/29/36/1038372936.db2.gz IEDIRINVSWFPTH-KSSFIOAISA-N 1 0 313.401 4.224 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000604291646 1038386804 /nfs/dbraw/zinc/38/68/04/1038386804.db2.gz JJSBNQZYLIOKIN-UHFFFAOYSA-N 1 0 314.360 4.146 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccnc1 ZINC000342078494 1038402325 /nfs/dbraw/zinc/40/23/25/1038402325.db2.gz RSTJUGAHONJWNU-ZDUSSCGKSA-N 1 0 323.352 4.101 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2cccs2)cc1[N+](=O)[O-] ZINC000539063199 1038516721 /nfs/dbraw/zinc/51/67/21/1038516721.db2.gz VTCATFGDYMGLCU-CYBMUJFWSA-N 1 0 304.415 4.248 20 5 DIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccccc1[N+](=O)[O-] ZINC000071954780 1038535954 /nfs/dbraw/zinc/53/59/54/1038535954.db2.gz XUSSIBGLRWCWQF-UHFFFAOYSA-N 1 0 313.401 4.047 20 5 DIBDRO COc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119828996 1038582194 /nfs/dbraw/zinc/58/21/94/1038582194.db2.gz AFARWHKCXGSAEI-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000594041409 1038634190 /nfs/dbraw/zinc/63/41/90/1038634190.db2.gz BUUCSJBOXUJPFB-VXGBXAGGSA-N 1 0 312.360 4.459 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000178591429 1038683474 /nfs/dbraw/zinc/68/34/74/1038683474.db2.gz NWALMDGYZXGANK-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO C[C@@H]([NH2+]CCSCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611559807 1038779450 /nfs/dbraw/zinc/77/94/50/1038779450.db2.gz HBBCPXWSUHXYGU-CQSZACIVSA-N 1 0 316.426 4.179 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCC3)s2)cc1 ZINC000608836571 1038929264 /nfs/dbraw/zinc/92/92/64/1038929264.db2.gz USJJVXZYBOPYHQ-UHFFFAOYSA-N 1 0 302.399 4.213 20 5 DIBDRO CCC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000608834737 1038929687 /nfs/dbraw/zinc/92/96/87/1038929687.db2.gz DECUHQKRXQETAA-GFCCVEGCSA-N 1 0 318.373 4.142 20 5 DIBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001167620698 1038948889 /nfs/dbraw/zinc/94/88/89/1038948889.db2.gz QOGXJFCSONULFJ-WBVHZDCISA-N 1 0 310.397 4.048 20 5 DIBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001167620846 1038950819 /nfs/dbraw/zinc/95/08/19/1038950819.db2.gz RHEZNFLOGOSNGH-MAUKXSAKSA-N 1 0 310.397 4.048 20 5 DIBDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000178686398 1038975382 /nfs/dbraw/zinc/97/53/82/1038975382.db2.gz WKXZMDYKJWWMHT-IINYFYTJSA-N 1 0 317.414 4.088 20 5 DIBDRO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000178686420 1038976121 /nfs/dbraw/zinc/97/61/21/1038976121.db2.gz WKXZMDYKJWWMHT-QMTHXVAHSA-N 1 0 317.414 4.088 20 5 DIBDRO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178703149 1039025923 /nfs/dbraw/zinc/02/59/23/1039025923.db2.gz VFSKHZFIIGUQRD-PBHICJAKSA-N 1 0 313.401 4.346 20 5 DIBDRO Cc1ccsc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000534336972 1039039685 /nfs/dbraw/zinc/03/96/85/1039039685.db2.gz LTMXAXGMXLVJEC-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000152702337 1039121186 /nfs/dbraw/zinc/12/11/86/1039121186.db2.gz KTFSKMVHQWBZLV-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(F)F ZINC000829237920 1039224752 /nfs/dbraw/zinc/22/47/52/1039224752.db2.gz ZZNIOMNWKQNEHW-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000176636499 1039259442 /nfs/dbraw/zinc/25/94/42/1039259442.db2.gz ICSRTILKSSJYSQ-QGZVFWFLSA-N 1 0 324.380 4.131 20 5 DIBDRO CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883441 1039281866 /nfs/dbraw/zinc/28/18/66/1039281866.db2.gz FYRYRSKEEZWPDG-HNNXBMFYSA-N 1 0 315.373 4.014 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000539519285 1039284764 /nfs/dbraw/zinc/28/47/64/1039284764.db2.gz XNAKEHSDVJYSEX-BRLPQQTGSA-N 1 0 314.385 4.120 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccc2)CC1 ZINC000539624607 1039306516 /nfs/dbraw/zinc/30/65/16/1039306516.db2.gz WAQMAWIPCNXQCW-HNNXBMFYSA-N 1 0 310.397 4.195 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(c2cccc(F)c2)CC1 ZINC000539657251 1039311362 /nfs/dbraw/zinc/31/13/62/1039311362.db2.gz VEOBIQNMHVXDAH-ZDUSSCGKSA-N 1 0 314.360 4.382 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443312253 1039465681 /nfs/dbraw/zinc/46/56/81/1039465681.db2.gz NXADUGUXBVLMTE-AWEZNQCLSA-N 1 0 318.417 4.079 20 5 DIBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000540557107 1039517930 /nfs/dbraw/zinc/51/79/30/1039517930.db2.gz CJDQROHSFWHBNO-BDHHJBHZSA-N 1 0 312.369 4.114 20 5 DIBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000052705596 1039524668 /nfs/dbraw/zinc/52/46/68/1039524668.db2.gz KOCZFQZFAOUAPR-CQSZACIVSA-N 1 0 314.385 4.187 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC000193024784 1039619224 /nfs/dbraw/zinc/61/92/24/1039619224.db2.gz QTWQUDRZTOCDDQ-HOTGVXAUSA-N 1 0 300.358 4.306 20 5 DIBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000573161645 1039652207 /nfs/dbraw/zinc/65/22/07/1039652207.db2.gz BURLABPZSCQMDH-INIZCTEOSA-N 1 0 300.358 4.133 20 5 DIBDRO CCC[C@@H]([NH2+]CCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000271566478 1039691315 /nfs/dbraw/zinc/69/13/15/1039691315.db2.gz YNFUNTGOBWXELV-OAHLLOKOSA-N 1 0 319.430 4.115 20 5 DIBDRO CCc1ccc([C@@H]([NH2+]CC2(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541563812 1039701482 /nfs/dbraw/zinc/70/14/82/1039701482.db2.gz LXYOUROYHJVUGM-KRWDZBQOSA-N 1 0 314.385 4.229 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000271645290 1039745109 /nfs/dbraw/zinc/74/51/09/1039745109.db2.gz HZKVUIADJAXQOO-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000090217526 1039768201 /nfs/dbraw/zinc/76/82/01/1039768201.db2.gz BKCYJOMLFPZCMO-CHWSQXEVSA-N 1 0 302.374 4.470 20 5 DIBDRO CC(C)Cc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000090668574 1039814859 /nfs/dbraw/zinc/81/48/59/1039814859.db2.gz AGDHPTZCIXSPOZ-LBPRGKRZSA-N 1 0 319.430 4.101 20 5 DIBDRO CC(C)([NH2+]Cc1coc2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000492399637 1039958065 /nfs/dbraw/zinc/95/80/65/1039958065.db2.gz PONRXZVQHLXFRA-UHFFFAOYSA-N 1 0 310.353 4.366 20 5 DIBDRO Cc1ccccc1C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000581086576 1040841846 /nfs/dbraw/zinc/84/18/46/1040841846.db2.gz JVNBOIIIWHWOQL-HXUWFJFHSA-N 1 0 324.424 4.057 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000172920217 1040861115 /nfs/dbraw/zinc/86/11/15/1040861115.db2.gz JMSDRYVWHJAVQE-BLLLJJGKSA-N 1 0 314.410 4.483 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000172831654 1040866754 /nfs/dbraw/zinc/86/67/54/1040866754.db2.gz NIIZEYBHDKIYBT-FZKQIMNGSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414252796 1041054746 /nfs/dbraw/zinc/05/47/46/1041054746.db2.gz IYXSSSHHIBQTQC-NWDGAFQWSA-N 1 0 318.339 4.094 20 5 DIBDRO CC(C)Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000892621105 1041141720 /nfs/dbraw/zinc/14/17/20/1041141720.db2.gz HATHFHXWLLAZOE-CQSZACIVSA-N 1 0 313.401 4.039 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C)c1cccnc1 ZINC000809765874 1041249955 /nfs/dbraw/zinc/24/99/55/1041249955.db2.gz RGXRSFLXMBGLQY-LBPRGKRZSA-N 1 0 319.792 4.226 20 5 DIBDRO CSCc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000189480249 1041306136 /nfs/dbraw/zinc/30/61/36/1041306136.db2.gz VMXDFGMJQLIFGP-UHFFFAOYSA-N 1 0 316.426 4.056 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c1 ZINC000120169460 1041360894 /nfs/dbraw/zinc/36/08/94/1041360894.db2.gz ICEVULAHPUZEGW-SFHVURJKSA-N 1 0 311.385 4.107 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000811471569 1041527361 /nfs/dbraw/zinc/52/73/61/1041527361.db2.gz SBUAXGAIVUHZAA-UHFFFAOYSA-N 1 0 303.189 4.324 20 5 DIBDRO CSCCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318130 1041655143 /nfs/dbraw/zinc/65/51/43/1041655143.db2.gz YAFNMRUVGCUACQ-INIZCTEOSA-N 1 0 308.447 4.095 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000181684830 1041845022 /nfs/dbraw/zinc/84/50/22/1041845022.db2.gz UVSKRRWNBNZVFI-MRXNPFEDSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000815566054 1041964049 /nfs/dbraw/zinc/96/40/49/1041964049.db2.gz HPEOIYVHAUVBDP-OLZOCXBDSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000093632805 1042018582 /nfs/dbraw/zinc/01/85/82/1042018582.db2.gz AXVPGSOMLFQZOJ-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](SC)C1)c1cccc([N+](=O)[O-])c1 ZINC000300409961 1042137665 /nfs/dbraw/zinc/13/76/65/1042137665.db2.gz CUAKSDIXEBRGLW-KBMXLJTQSA-N 1 0 308.447 4.310 20 5 DIBDRO CCC[C@H]([NH2+][C@H]1CC[C@H](SC)C1)c1cccc([N+](=O)[O-])c1 ZINC000300409960 1042211266 /nfs/dbraw/zinc/21/12/66/1042211266.db2.gz CUAKSDIXEBRGLW-BPUTZDHNSA-N 1 0 308.447 4.310 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000092856816 1042453286 /nfs/dbraw/zinc/45/32/86/1042453286.db2.gz HQQGFVXRKGJRCY-YVEFUNNKSA-N 1 0 314.360 4.462 20 5 DIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433294399 1042465475 /nfs/dbraw/zinc/46/54/75/1042465475.db2.gz LRRCOKGJERTCBI-IAQYHMDHSA-N 1 0 324.371 4.485 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H](C)c1ncc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000183200725 1042580683 /nfs/dbraw/zinc/58/06/83/1042580683.db2.gz MGNYJZUNJSYQDF-IAQYHMDHSA-N 1 0 319.430 4.204 20 5 DIBDRO CCC[C@@H]([NH2+]CC(C)(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000183936300 1042687184 /nfs/dbraw/zinc/68/71/84/1042687184.db2.gz IPKKONRQZJWYCH-MRXNPFEDSA-N 1 0 308.422 4.088 20 5 DIBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000514178339 1042772493 /nfs/dbraw/zinc/77/24/93/1042772493.db2.gz LXNHUGFEMUTWIK-GOSISDBHSA-N 1 0 310.397 4.110 20 5 DIBDRO CCC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC001167957970 1042787783 /nfs/dbraw/zinc/78/77/83/1042787783.db2.gz FZDZLUUKGGHTDR-CQSZACIVSA-N 1 0 306.406 4.006 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cccs1)C1CC1 ZINC000449076713 1042921561 /nfs/dbraw/zinc/92/15/61/1042921561.db2.gz XQHLHLQBKNOOOX-SJCJKPOMSA-N 1 0 316.426 4.328 20 5 DIBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000120858877 1042985460 /nfs/dbraw/zinc/98/54/60/1042985460.db2.gz JPYYVXDHJCEKEF-HZMBPMFUSA-N 1 0 320.439 4.372 20 5 DIBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000441342235 1043039358 /nfs/dbraw/zinc/03/93/58/1043039358.db2.gz YDMKJBPULBSCJG-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000176636515 1043097979 /nfs/dbraw/zinc/09/79/79/1043097979.db2.gz ICSRTILKSSJYSQ-KRWDZBQOSA-N 1 0 324.380 4.131 20 5 DIBDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178642966 1043134849 /nfs/dbraw/zinc/13/48/49/1043134849.db2.gz YZSZITBMOQNCPE-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000441487923 1043178186 /nfs/dbraw/zinc/17/81/86/1043178186.db2.gz PRQWEVQEDCUNML-RKVPGOIHSA-N 1 0 318.417 4.017 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441490044 1043181768 /nfs/dbraw/zinc/18/17/68/1043181768.db2.gz VJVKKZFKJCHAHN-LALPHHSUSA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441490043 1043182225 /nfs/dbraw/zinc/18/22/25/1043182225.db2.gz VJVKKZFKJCHAHN-JMSVASOKSA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc2cnccc2o1 ZINC000866622437 1043240190 /nfs/dbraw/zinc/24/01/90/1043240190.db2.gz MLBVFBZGMBXDDL-NHYWBVRUSA-N 1 0 323.352 4.074 20 5 DIBDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(F)F ZINC000829235469 1043259387 /nfs/dbraw/zinc/25/93/87/1043259387.db2.gz AQRPBUQVFQGYRA-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000053149501 1043285884 /nfs/dbraw/zinc/28/58/84/1043285884.db2.gz AXXYLFUWXHVQAM-SNVBAGLBSA-N 1 0 308.740 4.238 20 5 DIBDRO Cc1oc2ccccc2c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000323045957 1043299912 /nfs/dbraw/zinc/29/99/12/1043299912.db2.gz DUOGGTCPRFALAK-UHFFFAOYSA-N 1 0 310.353 4.248 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000268716617 1043324516 /nfs/dbraw/zinc/32/45/16/1043324516.db2.gz IUAQTHPDWHJIPJ-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000268797852 1043331726 /nfs/dbraw/zinc/33/17/26/1043331726.db2.gz JBASMHWTGNSDRF-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000268803129 1043333229 /nfs/dbraw/zinc/33/32/29/1043333229.db2.gz QUNVVCBXZKHHLH-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000521309667 1043382487 /nfs/dbraw/zinc/38/24/87/1043382487.db2.gz QLDBLJZSALZQAQ-NVXWUHKLSA-N 1 0 315.417 4.033 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000271526468 1043432592 /nfs/dbraw/zinc/43/25/92/1043432592.db2.gz PDEXOSHNONVYCM-JLJPHGGASA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000271570496 1043438322 /nfs/dbraw/zinc/43/83/22/1043438322.db2.gz VOMXHZBVSAHWKI-GRDNDAEWSA-N 1 0 320.433 4.148 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000442856291 1043442762 /nfs/dbraw/zinc/44/27/62/1043442762.db2.gz CZTJFKBYRCLJCY-CYBMUJFWSA-N 1 0 316.426 4.210 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060892 1043443861 /nfs/dbraw/zinc/44/38/61/1043443861.db2.gz BCFJCVDLJXCROT-DTWKUNHWSA-N 1 0 308.275 4.116 20 5 DIBDRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872084475 1043453396 /nfs/dbraw/zinc/45/33/96/1043453396.db2.gz SJRHBIGUISWFFF-FZZIBODNSA-N 1 0 318.751 4.089 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000872088493 1043455541 /nfs/dbraw/zinc/45/55/41/1043455541.db2.gz RHMTUQPPNFIUFV-UWVGGRQHSA-N 1 0 316.373 4.013 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000443105505 1043490791 /nfs/dbraw/zinc/49/07/91/1043490791.db2.gz UWRCVRDWZNEUAI-MRXNPFEDSA-N 1 0 304.415 4.330 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)(C)C ZINC001307776494 1043518810 /nfs/dbraw/zinc/51/88/10/1043518810.db2.gz OIIMMEVENOGNLC-MRXNPFEDSA-N 1 0 308.422 4.298 20 5 DIBDRO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873183826 1043523389 /nfs/dbraw/zinc/52/33/89/1043523389.db2.gz LKAAKFNZSCRGJH-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO CC1=C(c2ccco2)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000558734619 1043582945 /nfs/dbraw/zinc/58/29/45/1043582945.db2.gz QTMTWYUWSHVTON-AWEZNQCLSA-N 1 0 312.369 4.428 20 5 DIBDRO Cc1cccc2c1OCC[C@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353234884 1043593607 /nfs/dbraw/zinc/59/36/07/1043593607.db2.gz ZGYZRUUUAZVCOY-CTEOGUNLSA-N 1 0 324.380 4.030 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000558968095 1043654291 /nfs/dbraw/zinc/65/42/91/1043654291.db2.gz AATIBLVQVSBSTH-QKPAOTATSA-N 1 0 320.433 4.148 20 5 DIBDRO O=[N+]([O-])c1ccc([O-])cc1CN1CCCCC[C@@H]1c1ccco1 ZINC000353917182 1043657716 /nfs/dbraw/zinc/65/77/16/1043657716.db2.gz SSOWJUHAACBYGF-MRXNPFEDSA-N 1 0 316.357 4.011 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000927036509 1043670300 /nfs/dbraw/zinc/67/03/00/1043670300.db2.gz ILGAJBYTKOGEKD-GXTWGEPZSA-N 1 0 306.431 4.064 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000927060816 1043675831 /nfs/dbraw/zinc/67/58/31/1043675831.db2.gz BWWDIHFGWXGKFT-GUYCJALGSA-N 1 0 311.385 4.026 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3cccnc31)CCC2 ZINC000927061786 1043678174 /nfs/dbraw/zinc/67/81/74/1043678174.db2.gz SPXDAFLFNUJMKZ-ZWKOTPCHSA-N 1 0 323.396 4.034 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025360333 1043729059 /nfs/dbraw/zinc/72/90/59/1043729059.db2.gz WWZYSAVWYPMCMA-INIZCTEOSA-N 1 0 300.333 4.071 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(CF)cc2)C2CC2)cc1 ZINC000777716272 1043781481 /nfs/dbraw/zinc/78/14/81/1043781481.db2.gz HHDFADYARSLGMT-UHFFFAOYSA-N 1 0 314.360 4.229 20 5 DIBDRO Cc1nc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000358208507 1044035437 /nfs/dbraw/zinc/03/54/37/1044035437.db2.gz VICFTWDNNJGNNE-LBPRGKRZSA-N 1 0 319.430 4.033 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000291304390 1044055083 /nfs/dbraw/zinc/05/50/83/1044055083.db2.gz SQKVMNRZGCZPHP-SJKOYZFVSA-N 1 0 312.369 4.029 20 5 DIBDRO CC[C@H]([NH2+]CC1(C)CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000359003368 1044119736 /nfs/dbraw/zinc/11/97/36/1044119736.db2.gz QWJYHCCBRPSBNY-ADKAHSJRSA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000932565522 1044143759 /nfs/dbraw/zinc/14/37/59/1044143759.db2.gz OFWAZTYGFCXTJW-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CC(F)F ZINC000883258960 1044249888 /nfs/dbraw/zinc/24/98/88/1044249888.db2.gz WGMDGQQKUSYAQK-LBPRGKRZSA-N 1 0 314.376 4.187 20 5 DIBDRO Cc1ccoc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000293703429 1044314622 /nfs/dbraw/zinc/31/46/22/1044314622.db2.gz ONYFDOXGTHUAIA-HNNXBMFYSA-N 1 0 300.358 4.008 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000035256532 1044319912 /nfs/dbraw/zinc/31/99/12/1044319912.db2.gz ICXNPMGCBOLDCF-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)C2CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000475226456 1044328197 /nfs/dbraw/zinc/32/81/97/1044328197.db2.gz YRSAQGIYKUKPIV-GFCCVEGCSA-N 1 0 312.360 4.207 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCc3c2cccc3Cl)cccc1[N+](=O)[O-] ZINC000565867883 1044460476 /nfs/dbraw/zinc/46/04/76/1044460476.db2.gz OGEGHMNIWKNDDA-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000475560029 1044499375 /nfs/dbraw/zinc/49/93/75/1044499375.db2.gz RBXPEQWVPPUNPD-NVXWUHKLSA-N 1 0 314.360 4.160 20 5 DIBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000566878644 1044523544 /nfs/dbraw/zinc/52/35/44/1044523544.db2.gz ZYVMOPXXXYMUGA-INIZCTEOSA-N 1 0 300.358 4.133 20 5 DIBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000566878645 1044523587 /nfs/dbraw/zinc/52/35/87/1044523587.db2.gz ZYVMOPXXXYMUGA-MRXNPFEDSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC=CCC1 ZINC001202778528 1044531480 /nfs/dbraw/zinc/53/14/80/1044531480.db2.gz HGJJQEZEOAOFIZ-SFHVURJKSA-N 1 0 312.369 4.443 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000077467866 1044698586 /nfs/dbraw/zinc/69/85/86/1044698586.db2.gz IYOZANJUWGCATA-UHFFFAOYSA-N 1 0 302.761 4.027 20 5 DIBDRO CCc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569887144 1044718444 /nfs/dbraw/zinc/71/84/44/1044718444.db2.gz WHTNUHNGAMQXNY-WPKBUWHJSA-N 1 0 314.385 4.085 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000525122800 1044989513 /nfs/dbraw/zinc/98/95/13/1044989513.db2.gz MOLDGAQNZXIMKQ-UHFFFAOYSA-N 1 0 308.809 4.404 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)o1 ZINC000428465895 1045087254 /nfs/dbraw/zinc/08/72/54/1045087254.db2.gz YBTGCLYUHLOWLT-XJKSGUPXSA-N 1 0 312.369 4.229 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)C2 ZINC000577442867 1045125527 /nfs/dbraw/zinc/12/55/27/1045125527.db2.gz FWDMQLIGZHZPLW-DJJJIMSYSA-N 1 0 310.397 4.235 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000783623121 1045133388 /nfs/dbraw/zinc/13/33/88/1045133388.db2.gz PFNOTNXOKUCGLJ-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Sc1ccccc1 ZINC000467856868 1045135591 /nfs/dbraw/zinc/13/55/91/1045135591.db2.gz SHXNAMPYFTXMLC-ZIAGYGMSSA-N 1 0 316.426 4.426 20 5 DIBDRO Cc1cc([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000468386734 1045137684 /nfs/dbraw/zinc/13/76/84/1045137684.db2.gz ZBGBPPVCEXETOA-OCCSQVGLSA-N 1 0 316.401 4.477 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cl)cc1)CCC2 ZINC000447514276 1045139579 /nfs/dbraw/zinc/13/95/79/1045139579.db2.gz COLZBRFAMGTBBH-QGZVFWFLSA-N 1 0 316.788 4.415 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447542692 1045143213 /nfs/dbraw/zinc/14/32/13/1045143213.db2.gz PPDDBKKNRPNDAB-FRFSOERESA-N 1 0 320.458 4.236 20 5 DIBDRO Cc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000447539834 1045143293 /nfs/dbraw/zinc/14/32/93/1045143293.db2.gz HTFZQCSSGVVFNK-GOSISDBHSA-N 1 0 314.360 4.210 20 5 DIBDRO CC[C@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000557696737 1045219010 /nfs/dbraw/zinc/21/90/10/1045219010.db2.gz WCKXEDUSKXHZCI-DZGCQCFKSA-N 1 0 317.389 4.038 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNc1ccccc1 ZINC000578413184 1045242702 /nfs/dbraw/zinc/24/27/02/1045242702.db2.gz HPPNUHSLIHDJOF-OAHLLOKOSA-N 1 0 313.401 4.056 20 5 DIBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579376536 1045310554 /nfs/dbraw/zinc/31/05/54/1045310554.db2.gz VKDOWQCSGQHYSA-GXFFZTMASA-N 1 0 316.323 4.293 20 5 DIBDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1F ZINC000449168784 1045353314 /nfs/dbraw/zinc/35/33/14/1045353314.db2.gz FHOCRDYUSXHRQD-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000449346813 1045378860 /nfs/dbraw/zinc/37/88/60/1045378860.db2.gz DJNUUULCUWLULD-NSHDSACASA-N 1 0 317.414 4.170 20 5 DIBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449365937 1045383036 /nfs/dbraw/zinc/38/30/36/1045383036.db2.gz UUPLXNPGENUUPX-LOWVWBTDSA-N 1 0 316.323 4.146 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000449373660 1045384173 /nfs/dbraw/zinc/38/41/73/1045384173.db2.gz TXZIGHKMZJKBER-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449357526 1045385220 /nfs/dbraw/zinc/38/52/20/1045385220.db2.gz AWYQLPPOXGLNJR-DMDPSCGWSA-N 1 0 316.323 4.146 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000450688912 1045544827 /nfs/dbraw/zinc/54/48/27/1045544827.db2.gz RPMNEDHWJCCHNO-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000450688914 1045544959 /nfs/dbraw/zinc/54/49/59/1045544959.db2.gz RPMNEDHWJCCHNO-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2CCC(C)C)cc1[N+](=O)[O-] ZINC001168124292 1045548908 /nfs/dbraw/zinc/54/89/08/1045548908.db2.gz DFABSAGPOJBYGX-HNNXBMFYSA-N 1 0 306.406 4.004 20 5 DIBDRO COc1cc(C)ccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000119837995 1045582265 /nfs/dbraw/zinc/58/22/65/1045582265.db2.gz VJJRGWPWOUWPMC-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000800273927 1045600148 /nfs/dbraw/zinc/60/01/48/1045600148.db2.gz ILYMCZUBKQFHOB-JTQLQIEISA-N 1 0 318.751 4.163 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1CCCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000451055222 1045619597 /nfs/dbraw/zinc/61/95/97/1045619597.db2.gz NOOYNJXIKGJMCY-LBPRGKRZSA-N 1 0 312.360 4.245 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000451162649 1045637967 /nfs/dbraw/zinc/63/79/67/1045637967.db2.gz QDDWJNKLDVQXQS-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000530359076 1045650699 /nfs/dbraw/zinc/65/06/99/1045650699.db2.gz AVSHQFXNWKMBDF-ZBFHGGJFSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000451422749 1045682127 /nfs/dbraw/zinc/68/21/27/1045682127.db2.gz UNCMOQYJWYNRJM-MFKMUULPSA-N 1 0 316.323 4.066 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)c1ccc(F)cc1 ZINC000801512181 1045725776 /nfs/dbraw/zinc/72/57/76/1045725776.db2.gz OUKMEFRKNYBHGP-GFCCVEGCSA-N 1 0 320.339 4.456 20 5 DIBDRO Cc1ccccc1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801514088 1045727883 /nfs/dbraw/zinc/72/78/83/1045727883.db2.gz NKCFYXQWNFPRAG-UHFFFAOYSA-N 1 0 314.360 4.207 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801529771 1045730201 /nfs/dbraw/zinc/73/02/01/1045730201.db2.gz QFPGGULFGPKYTH-QGZVFWFLSA-N 1 0 302.349 4.149 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1F ZINC000801523227 1045731593 /nfs/dbraw/zinc/73/15/93/1045731593.db2.gz LVRVRCIZMNIGED-SFHVURJKSA-N 1 0 314.360 4.365 20 5 DIBDRO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801551188 1045737984 /nfs/dbraw/zinc/73/79/84/1045737984.db2.gz IXYIWILZMAHOGC-UVTDQMKNSA-N 1 0 314.360 4.269 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000452079120 1045769124 /nfs/dbraw/zinc/76/91/24/1045769124.db2.gz FVPBBLNCSXQBLB-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000753675783 1045788275 /nfs/dbraw/zinc/78/82/75/1045788275.db2.gz DOJOMXYFVCGGGK-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC000753680413 1045789362 /nfs/dbraw/zinc/78/93/62/1045789362.db2.gz VNFBFGWHAVZMGO-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000753675778 1045789882 /nfs/dbraw/zinc/78/98/82/1045789882.db2.gz DOJOMXYFVCGGGK-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000520212196 1045891568 /nfs/dbraw/zinc/89/15/68/1045891568.db2.gz SPJUQQIGSIDDMI-UHFFFAOYSA-N 1 0 300.358 4.277 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000531724599 1045913982 /nfs/dbraw/zinc/91/39/82/1045913982.db2.gz ILHNXOIBQGDOMZ-OCCSQVGLSA-N 1 0 318.442 4.494 20 5 DIBDRO CCNc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000902301924 1045969833 /nfs/dbraw/zinc/96/98/33/1045969833.db2.gz MUXUYUJWLQQZJJ-AWEZNQCLSA-N 1 0 313.401 4.186 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CC(F)(F)C1 ZINC000453574662 1046093638 /nfs/dbraw/zinc/09/36/38/1046093638.db2.gz CAMQPALBLHZUQP-KPKJPENVSA-N 1 0 310.344 4.023 20 5 DIBDRO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000195718884 1046133109 /nfs/dbraw/zinc/13/31/09/1046133109.db2.gz XAPCVOCSMWLPDA-UHFFFAOYSA-N 1 0 314.385 4.014 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903056593 1046150791 /nfs/dbraw/zinc/15/07/91/1046150791.db2.gz WFJNHOYVAWYIGY-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000903244846 1046207744 /nfs/dbraw/zinc/20/77/44/1046207744.db2.gz FJLTWJUVOTYQHZ-RYUDHWBXSA-N 1 0 319.792 4.098 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000903246773 1046207937 /nfs/dbraw/zinc/20/79/37/1046207937.db2.gz WVWCAKPOFMTZTM-MNOVXSKESA-N 1 0 319.430 4.122 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(CF)cc1)c1ccccc1[N+](=O)[O-] ZINC000795232911 1046209470 /nfs/dbraw/zinc/20/94/70/1046209470.db2.gz APKQTNHCOPTLTE-UHFFFAOYSA-N 1 0 302.349 4.089 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000903286624 1046224319 /nfs/dbraw/zinc/22/43/19/1046224319.db2.gz DDYIXTLUVNSQPO-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287341 1046224916 /nfs/dbraw/zinc/22/49/16/1046224916.db2.gz OIGMLTFZLBVHOG-GHMZBOCLSA-N 1 0 306.387 4.077 20 5 DIBDRO Cc1ccc(-c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000237723050 1046318405 /nfs/dbraw/zinc/31/84/05/1046318405.db2.gz IFWXYVRMLLKWCK-UHFFFAOYSA-N 1 0 322.364 4.453 20 5 DIBDRO CC1(CC[NH2+]Cc2c3ccccc3cc3ccccc32)OCCO1 ZINC000759179633 1046328500 /nfs/dbraw/zinc/32/85/00/1046328500.db2.gz JYAAPSZFAPKXDM-UHFFFAOYSA-N 1 0 321.420 4.236 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000897464012 1046438135 /nfs/dbraw/zinc/43/81/35/1046438135.db2.gz JDYBDKJOBWJYKD-RYUDHWBXSA-N 1 0 318.339 4.409 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464011 1046438674 /nfs/dbraw/zinc/43/86/74/1046438674.db2.gz JDYBDKJOBWJYKD-NWDGAFQWSA-N 1 0 318.339 4.409 20 5 DIBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000261441554 1046548186 /nfs/dbraw/zinc/54/81/86/1046548186.db2.gz BSQLTSBCHSAFQW-OAHLLOKOSA-N 1 0 302.399 4.302 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1Cl ZINC000783621684 1046615395 /nfs/dbraw/zinc/61/53/95/1046615395.db2.gz PPLFWBLVGKUVOW-OAHLLOKOSA-N 1 0 320.751 4.164 20 5 DIBDRO Cc1cccc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000784481212 1046691924 /nfs/dbraw/zinc/69/19/24/1046691924.db2.gz LKMZDKLGHDFLOU-OAHLLOKOSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000834890483 1046701939 /nfs/dbraw/zinc/70/19/39/1046701939.db2.gz CGVGGSYGYSQRHF-MFKMUULPSA-N 1 0 317.216 4.219 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCC[C@H](SC)C1)c1cccc([N+](=O)[O-])c1 ZINC000300411466 1046719773 /nfs/dbraw/zinc/71/97/73/1046719773.db2.gz NJVCAKAAJKPDRS-BPUTZDHNSA-N 1 0 308.447 4.310 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCOc1ccccc1 ZINC000302768277 1046802793 /nfs/dbraw/zinc/80/27/93/1046802793.db2.gz XCMJLYNRPNKISA-HNNXBMFYSA-N 1 0 314.385 4.057 20 5 DIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccccc1[N+](=O)[O-] ZINC000302810823 1046807021 /nfs/dbraw/zinc/80/70/21/1046807021.db2.gz WJVKWCYVTSCQIU-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303571725 1046930907 /nfs/dbraw/zinc/93/09/07/1046930907.db2.gz MWRXWAVFDPMGDJ-CRAIPNDOSA-N 1 0 300.402 4.478 20 5 DIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000303742810 1046953337 /nfs/dbraw/zinc/95/33/37/1046953337.db2.gz IXWCYTPQUJBVGU-MRXNPFEDSA-N 1 0 312.413 4.009 20 5 DIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000303771377 1046962127 /nfs/dbraw/zinc/96/21/27/1046962127.db2.gz QRUMXDHFEPTXSC-SJLPKXTDSA-N 1 0 324.424 4.324 20 5 DIBDRO COc1cccc(F)c1[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537158537 1047142869 /nfs/dbraw/zinc/14/28/69/1047142869.db2.gz GLRWMXINXALPDY-NEPJUHHUSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000537291798 1047159001 /nfs/dbraw/zinc/15/90/01/1047159001.db2.gz XVGKYUUETPHLQZ-IBGZPJMESA-N 1 0 310.397 4.453 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000537400894 1047179366 /nfs/dbraw/zinc/17/93/66/1047179366.db2.gz IUHKOHWNDCVXRX-JSGCOSHPSA-N 1 0 318.442 4.494 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(C(F)F)CC2)cc1Cl ZINC000839179265 1047203052 /nfs/dbraw/zinc/20/30/52/1047203052.db2.gz INELRMDUXVOZMH-UHFFFAOYSA-N 1 0 318.751 4.162 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C/C=C/C2CC2)c2ccccc2)c1 ZINC001117751637 1047240999 /nfs/dbraw/zinc/24/09/99/1047240999.db2.gz VAPSIULLRPKDGM-UEKDZROGSA-N 1 0 308.381 4.240 20 5 DIBDRO O[C@H]1CCCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141722537 1047275623 /nfs/dbraw/zinc/27/56/23/1047275623.db2.gz BVZAHSLCIBPIHL-SFHVURJKSA-N 1 0 305.421 4.340 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001141722743 1047276222 /nfs/dbraw/zinc/27/62/22/1047276222.db2.gz HIRFEBXPWZNLOY-HDICACEKSA-N 1 0 303.405 4.356 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCC1=O ZINC001141722713 1047276584 /nfs/dbraw/zinc/27/65/84/1047276584.db2.gz FYPSWDNXIVLPOV-OAHLLOKOSA-N 1 0 303.405 4.404 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1O ZINC001141722938 1047279194 /nfs/dbraw/zinc/27/91/94/1047279194.db2.gz LGHFWUMKVTVSGK-QVKFZJNVSA-N 1 0 305.421 4.196 20 5 DIBDRO O[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1F ZINC001141723045 1047279240 /nfs/dbraw/zinc/27/92/40/1047279240.db2.gz NMISYZGZPPGVOL-LEWJYISDSA-N 1 0 323.411 4.288 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@]12CCOC2 ZINC001141728181 1047281752 /nfs/dbraw/zinc/28/17/52/1047281752.db2.gz OERAQYATTXJTKT-OAQYLSRUSA-N 1 0 303.405 4.358 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000897934577 1047299460 /nfs/dbraw/zinc/29/94/60/1047299460.db2.gz LKHUIOOANOPBQZ-NSHDSACASA-N 1 0 305.403 4.026 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC3(CC3(F)F)C1)CCCC2 ZINC001118491291 1047299768 /nfs/dbraw/zinc/29/97/68/1047299768.db2.gz KBEJZTUKVAXCAU-NRAUKZCXSA-N 1 0 322.355 4.140 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000537480760 1047303282 /nfs/dbraw/zinc/30/32/82/1047303282.db2.gz DFOVAFKBNZLFFR-BHYGNILZSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C)CC1 ZINC000726605798 1047368289 /nfs/dbraw/zinc/36/82/89/1047368289.db2.gz JOQTXSGETXZVOT-GFCCVEGCSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)CC[NH2+]1 ZINC000841060791 1047376293 /nfs/dbraw/zinc/37/62/93/1047376293.db2.gz BVGLXPDQYMWIKL-QAPCUYQASA-N 1 0 304.437 4.223 20 5 DIBDRO C[C@H]1C[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)CC[NH2+]1 ZINC000841060793 1047377583 /nfs/dbraw/zinc/37/75/83/1047377583.db2.gz BVGLXPDQYMWIKL-YJBOKZPZSA-N 1 0 304.437 4.223 20 5 DIBDRO CC(C)Oc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000749839369 1047439865 /nfs/dbraw/zinc/43/98/65/1047439865.db2.gz AKIHPPONEJVHDA-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000477278629 1047609820 /nfs/dbraw/zinc/60/98/20/1047609820.db2.gz OFKYLKBCLGPNLX-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537853143 1047641808 /nfs/dbraw/zinc/64/18/08/1047641808.db2.gz WFYGAMCVUOUOOJ-DOMZBBRYSA-N 1 0 315.373 4.013 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000537958043 1047647036 /nfs/dbraw/zinc/64/70/36/1047647036.db2.gz DWMGBRGBLFJFGB-DLBZAZTESA-N 1 0 312.369 4.078 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] ZINC000537981334 1047649935 /nfs/dbraw/zinc/64/99/35/1047649935.db2.gz GXWYQEDNWUVDDH-ZFWWWQNUSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] ZINC000537981331 1047650084 /nfs/dbraw/zinc/65/00/84/1047650084.db2.gz GXWYQEDNWUVDDH-DZGCQCFKSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000537986948 1047650666 /nfs/dbraw/zinc/65/06/66/1047650666.db2.gz LMGQVEMWJCFMIJ-IFXJQAMLSA-N 1 0 310.397 4.267 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000537966286 1047650775 /nfs/dbraw/zinc/65/07/75/1047650775.db2.gz DDRSFPVNWUJQPD-CHWSQXEVSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000539051930 1047727366 /nfs/dbraw/zinc/72/73/66/1047727366.db2.gz PULUJLDFHZVBDA-SCLBCKFNSA-N 1 0 311.385 4.100 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000539067025 1047734262 /nfs/dbraw/zinc/73/42/62/1047734262.db2.gz ZCPCHKDKUHSNEC-HUUCEWRRSA-N 1 0 324.371 4.083 20 5 DIBDRO CSCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237503264 1047744190 /nfs/dbraw/zinc/74/41/90/1047744190.db2.gz YEENFEJXMYPOSL-UHFFFAOYSA-N 1 0 322.455 4.166 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CC(C)(C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000478477218 1047788781 /nfs/dbraw/zinc/78/87/81/1047788781.db2.gz DYKUIOCLWYNNTA-KRWDZBQOSA-N 1 0 310.397 4.415 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478504069 1047790665 /nfs/dbraw/zinc/79/06/65/1047790665.db2.gz VEABZSSYXSVHKM-SFHVURJKSA-N 1 0 310.397 4.379 20 5 DIBDRO c1nn(C2C[NH2+]C2)cc1Nc1ccc2cc3ccccc3cc2c1 ZINC001159248170 1047824033 /nfs/dbraw/zinc/82/40/33/1047824033.db2.gz OLYFWCJHHQXYOZ-UHFFFAOYSA-N 1 0 314.392 4.077 20 5 DIBDRO COC1CCC(C)(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000479448818 1047902511 /nfs/dbraw/zinc/90/25/11/1047902511.db2.gz FMMFTWLMOYJOSX-SYJJWHGVSA-N 1 0 320.433 4.149 20 5 DIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C=C(C)C ZINC001174555723 1047903524 /nfs/dbraw/zinc/90/35/24/1047903524.db2.gz JTUQFFDOJLICEB-UHFFFAOYSA-N 1 0 307.397 4.136 20 5 DIBDRO CC(C)=C/[NH+]=c1\ccc2nc3c(cc(N)c4ccccc43)oc-2c1 ZINC001174558917 1047903989 /nfs/dbraw/zinc/90/39/89/1047903989.db2.gz SFLZRXVWQMBHNU-LPYMAVHISA-N 1 0 315.376 4.492 20 5 DIBDRO Cc1ccc(Nc2cccc(C3CC[NH2+]CC3)c2)c([N+](=O)[O-])c1 ZINC001159764473 1047917005 /nfs/dbraw/zinc/91/70/05/1047917005.db2.gz MYOGKDDDHKEEMY-UHFFFAOYSA-N 1 0 311.385 4.114 20 5 DIBDRO CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001183571110 1047944904 /nfs/dbraw/zinc/94/49/04/1047944904.db2.gz FIDTUIAZNBFMFH-IDHHARJASA-N 1 0 316.445 4.332 20 5 DIBDRO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000553993295 1047979687 /nfs/dbraw/zinc/97/96/87/1047979687.db2.gz UCGJJPQMCDNWCY-UHFFFAOYSA-N 1 0 318.751 4.258 20 5 DIBDRO Cc1ccc(Nc2ccc3c(c2)C[NH2+]CC3(C)C)cc1[N+](=O)[O-] ZINC001160285102 1048023572 /nfs/dbraw/zinc/02/35/72/1048023572.db2.gz PGMVDFZDDTZHNW-UHFFFAOYSA-N 1 0 311.385 4.028 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480211739 1048093812 /nfs/dbraw/zinc/09/38/12/1048093812.db2.gz YSTYVYXIDSARFT-OAHLLOKOSA-N 1 0 310.397 4.286 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001184865440 1048099561 /nfs/dbraw/zinc/09/95/61/1048099561.db2.gz PVELXRUTHIDFGM-HZPDHXFCSA-N 1 0 319.449 4.073 20 5 DIBDRO Cc1cc2cc3cc(C)c(Nc4cnoc4)cc3[nH+]c2cc1N ZINC001203246175 1048099796 /nfs/dbraw/zinc/09/97/96/1048099796.db2.gz AABKWNIPXXPOIV-UHFFFAOYSA-N 1 0 304.353 4.319 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000776025124 1048102249 /nfs/dbraw/zinc/10/22/49/1048102249.db2.gz VSSFSKUKXHOXMM-SFHVURJKSA-N 1 0 314.360 4.283 20 5 DIBDRO Cc1ccc2[nH]c(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc2c1C ZINC000480446492 1048146320 /nfs/dbraw/zinc/14/63/20/1048146320.db2.gz SDZCXOIIACOVHY-UHFFFAOYSA-N 1 0 323.396 4.291 20 5 DIBDRO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC001175238675 1048212718 /nfs/dbraw/zinc/21/27/18/1048212718.db2.gz NDNYQFIHFZWYTK-CYBMUJFWSA-N 1 0 308.397 4.382 20 5 DIBDRO Nc1ccc2cc3ccc(NC4=CCSCC4)cc3[nH+]c2c1 ZINC001201342702 1048245601 /nfs/dbraw/zinc/24/56/01/1048245601.db2.gz QBJGXALJLZBLEC-UHFFFAOYSA-N 1 0 307.422 4.403 20 5 DIBDRO Cc1ccsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064993446 1048261998 /nfs/dbraw/zinc/26/19/98/1048261998.db2.gz UFNXEDOPACENNU-UHFFFAOYSA-N 1 0 304.415 4.375 20 5 DIBDRO O=[N+]([O-])c1sccc1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001186248243 1048274665 /nfs/dbraw/zinc/27/46/65/1048274665.db2.gz JGALDGQXYFKRPS-UHFFFAOYSA-N 1 0 323.462 4.115 20 5 DIBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000481086849 1048306832 /nfs/dbraw/zinc/30/68/32/1048306832.db2.gz CWLFOZCTYVZWHX-AAEUAGOBSA-N 1 0 317.389 4.040 20 5 DIBDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555299557 1048310141 /nfs/dbraw/zinc/31/01/41/1048310141.db2.gz MMXYGMOBCHJZSL-SNVBAGLBSA-N 1 0 304.312 4.090 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000192834638 1048319325 /nfs/dbraw/zinc/31/93/25/1048319325.db2.gz QTJLAXOFAASFTA-LRDDRELGSA-N 1 0 314.410 4.483 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000555420647 1048343777 /nfs/dbraw/zinc/34/37/77/1048343777.db2.gz NSJWNJNHINNQBN-ZDUSSCGKSA-N 1 0 322.364 4.304 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000192844933 1048344760 /nfs/dbraw/zinc/34/47/60/1048344760.db2.gz OSPSGORPNGNPKG-OLZOCXBDSA-N 1 0 300.358 4.021 20 5 DIBDRO CC[C@H](CSC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001201769543 1048369963 /nfs/dbraw/zinc/36/99/63/1048369963.db2.gz ISXTXHBPGXUQKM-CYBMUJFWSA-N 1 0 320.414 4.086 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC(F)(F)CC1 ZINC000600187101 1048385281 /nfs/dbraw/zinc/38/52/81/1048385281.db2.gz DJFQKJMIBMDITL-JLHYYAGUSA-N 1 0 310.344 4.119 20 5 DIBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc([N+](=O)[O-])cc3cc[nH]c32)c1 ZINC001162909744 1048387078 /nfs/dbraw/zinc/38/70/78/1048387078.db2.gz NOAXFEUYAOJLDZ-NSHDSACASA-N 1 0 320.352 4.040 20 5 DIBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccccc2C[NH+]2CCCC2)c1 ZINC001175737095 1048429609 /nfs/dbraw/zinc/42/96/09/1048429609.db2.gz TWIFLGOWKIYSPW-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO CC1(C)CC(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001202032198 1048440615 /nfs/dbraw/zinc/44/06/15/1048440615.db2.gz YLJKIMHOOBHESA-UHFFFAOYSA-N 1 0 314.385 4.381 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](CC(C)C)c2ccccn2)cc1[N+](=O)[O-] ZINC000776251715 1048465018 /nfs/dbraw/zinc/46/50/18/1048465018.db2.gz VJSYOPKLXQWAGQ-QGZVFWFLSA-N 1 0 313.401 4.175 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000481737984 1048473866 /nfs/dbraw/zinc/47/38/66/1048473866.db2.gz KPCBBLZLFCRNCK-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)cs1 ZINC000481820727 1048496599 /nfs/dbraw/zinc/49/65/99/1048496599.db2.gz YAYUPOJSDCTHLI-CHWSQXEVSA-N 1 0 320.389 4.221 20 5 DIBDRO CN(Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042316385 1048533640 /nfs/dbraw/zinc/53/36/40/1048533640.db2.gz XBODICHEZGCHQS-UHFFFAOYSA-N 1 0 308.740 4.019 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001176038002 1048541536 /nfs/dbraw/zinc/54/15/36/1048541536.db2.gz ZCEHPGKROYYPQZ-MLGOLLRUSA-N 1 0 302.399 4.239 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001176037927 1048541592 /nfs/dbraw/zinc/54/15/92/1048541592.db2.gz ZCEHPGKROYYPQZ-LRDDRELGSA-N 1 0 302.399 4.239 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)c1 ZINC001202418034 1048546104 /nfs/dbraw/zinc/54/61/04/1048546104.db2.gz QUPYZTYCDQXUFW-UHFFFAOYSA-N 1 0 316.788 4.113 20 5 DIBDRO Cc1cc2cc3cc(C)c(NC4=CCOCC4)cc3[nH+]c2cc1N ZINC001176145559 1048563581 /nfs/dbraw/zinc/56/35/81/1048563581.db2.gz JWZGICFKGZBHFV-UHFFFAOYSA-N 1 0 319.408 4.303 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCc1cnc2ccccc2c1 ZINC001164204323 1048605947 /nfs/dbraw/zinc/60/59/47/1048605947.db2.gz STFZBENDQUERDH-UHFFFAOYSA-N 1 0 320.460 4.443 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000850427126 1048653988 /nfs/dbraw/zinc/65/39/88/1048653988.db2.gz NERHQCIKDHLHMH-VXGBXAGGSA-N 1 0 320.414 4.385 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC000850445320 1048657688 /nfs/dbraw/zinc/65/76/88/1048657688.db2.gz BKFJXZZIHNGYQA-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000482889792 1048698525 /nfs/dbraw/zinc/69/85/25/1048698525.db2.gz PUEXORCFTPFFMA-CYBMUJFWSA-N 1 0 302.349 4.017 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001190855207 1048787800 /nfs/dbraw/zinc/78/78/00/1048787800.db2.gz OYUKMMMGRKBXRI-GOSISDBHSA-N 1 0 324.424 4.358 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1[N+](=O)[O-] ZINC000483416954 1048791710 /nfs/dbraw/zinc/79/17/10/1048791710.db2.gz HGJUCGFRLUXVOD-CYBMUJFWSA-N 1 0 308.447 4.046 20 5 DIBDRO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000483442746 1048800403 /nfs/dbraw/zinc/80/04/03/1048800403.db2.gz RYVXSTHBMVUKFW-ZDUSSCGKSA-N 1 0 316.323 4.005 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC=CC23CCCCC3)ccc1Cl ZINC001176995712 1048814752 /nfs/dbraw/zinc/81/47/52/1048814752.db2.gz NSFSXOFQRZGRRV-UHFFFAOYSA-N 1 0 306.793 4.323 20 5 DIBDRO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001191003888 1048817966 /nfs/dbraw/zinc/81/79/66/1048817966.db2.gz LCGZQIYRHOHSGH-CRAIPNDOSA-N 1 0 310.397 4.281 20 5 DIBDRO CC(C)CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776604295 1048846112 /nfs/dbraw/zinc/84/61/12/1048846112.db2.gz AXTBMJVAYWFJCH-IAGOWNOFSA-N 1 0 322.449 4.069 20 5 DIBDRO CC(C)(F)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001203326844 1048870759 /nfs/dbraw/zinc/87/07/59/1048870759.db2.gz HXJVCDQQQZPGKR-UHFFFAOYSA-N 1 0 308.378 4.161 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@]34C[C@H]3CCCC4)o2)c1 ZINC001203369954 1048884194 /nfs/dbraw/zinc/88/41/94/1048884194.db2.gz VXBLLUDAPIZIQM-RDTXWAMCSA-N 1 0 312.369 4.277 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc2c([nH+]1)CCCC2 ZINC001203570779 1048933344 /nfs/dbraw/zinc/93/33/44/1048933344.db2.gz ASUOSHJBBSTNLU-KAMYIIQDSA-N 1 0 323.396 4.384 20 5 DIBDRO COc1ccc(C[NH2+][C@H]2CCCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC001177733267 1048937312 /nfs/dbraw/zinc/93/73/12/1048937312.db2.gz JGDCSSXICSRAPF-AWEZNQCLSA-N 1 0 306.406 4.052 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCCC(C)(C)C ZINC001177780431 1048942759 /nfs/dbraw/zinc/94/27/59/1048942759.db2.gz XDWYZLJFRYKAAK-UHFFFAOYSA-N 1 0 308.422 4.300 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000484477294 1048948020 /nfs/dbraw/zinc/94/80/20/1048948020.db2.gz XOUMCJTZXOLXFD-KDOFPFPSSA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC001203863297 1049017203 /nfs/dbraw/zinc/01/72/03/1049017203.db2.gz CKWJMXTWLNHVSY-NSHDSACASA-N 1 0 304.415 4.166 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC001178317792 1049021033 /nfs/dbraw/zinc/02/10/33/1049021033.db2.gz OOFOABGURMGYDM-KUHUBIRLSA-N 1 0 310.397 4.316 20 5 DIBDRO CCCCC[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001192201823 1049051110 /nfs/dbraw/zinc/05/11/10/1049051110.db2.gz XOPPAPSDKBRNMD-HNNXBMFYSA-N 1 0 306.406 4.018 20 5 DIBDRO Cc1cc(C)c(/C=C/C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001178611103 1049067527 /nfs/dbraw/zinc/06/75/27/1049067527.db2.gz WQOUECIAKZKYDI-SOFGYWHQSA-N 1 0 324.424 4.366 20 5 DIBDRO CC/C=C\C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001178800865 1049091538 /nfs/dbraw/zinc/09/15/38/1049091538.db2.gz MAQPQWPWCXNFEM-UTCJRWHESA-N 1 0 302.399 4.379 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC001192390048 1049091605 /nfs/dbraw/zinc/09/16/05/1049091605.db2.gz JWESAWYRHFJXJV-UHFFFAOYSA-N 1 0 322.408 4.248 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCC[C@H]1CC ZINC001178824287 1049095913 /nfs/dbraw/zinc/09/59/13/1049095913.db2.gz XWORSLWUEJGFNX-HUUCEWRRSA-N 1 0 320.433 4.300 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000925490386 1049098553 /nfs/dbraw/zinc/09/85/53/1049098553.db2.gz BEUIIWCROBXNQP-NEPJUHHUSA-N 1 0 318.348 4.160 20 5 DIBDRO Cc1c(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC001178966880 1049115226 /nfs/dbraw/zinc/11/52/26/1049115226.db2.gz QXJZLNBKEHWGQM-HXUWFJFHSA-N 1 0 324.424 4.404 20 5 DIBDRO Cc1c(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC001178966879 1049116143 /nfs/dbraw/zinc/11/61/43/1049116143.db2.gz QXJZLNBKEHWGQM-FQEVSTJZSA-N 1 0 324.424 4.404 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2C[C@H]2c2ccccc2)C2CC2)cc1 ZINC001204262014 1049123177 /nfs/dbraw/zinc/12/31/77/1049123177.db2.gz UPPJOWBEAQNENB-XLIONFOSSA-N 1 0 322.408 4.363 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C2CC2)c1 ZINC001204270627 1049125238 /nfs/dbraw/zinc/12/52/38/1049125238.db2.gz OXQPINZIBDTPNA-PXNSSMCTSA-N 1 0 322.408 4.363 20 5 DIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC001192719361 1049136084 /nfs/dbraw/zinc/13/60/84/1049136084.db2.gz MNDRZUVFTTURHZ-UHFFFAOYSA-N 1 0 312.413 4.491 20 5 DIBDRO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173364235 1049139194 /nfs/dbraw/zinc/13/91/94/1049139194.db2.gz RHTZSIOSHMDZEP-KGLIPLIRSA-N 1 0 314.385 4.405 20 5 DIBDRO CC1(C)CC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001179205536 1049141661 /nfs/dbraw/zinc/14/16/61/1049141661.db2.gz PIGRGYPYKLRPGV-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CC3(CCC3)C2)C2CC2)cc1 ZINC001192930102 1049155131 /nfs/dbraw/zinc/15/51/31/1049155131.db2.gz SULFPOHHAMPDEL-UHFFFAOYSA-N 1 0 300.402 4.140 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001192939758 1049157270 /nfs/dbraw/zinc/15/72/70/1049157270.db2.gz RHPSFQUXMKCDTQ-AWEZNQCLSA-N 1 0 310.397 4.449 20 5 DIBDRO CCC(CC)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC001179397509 1049158945 /nfs/dbraw/zinc/15/89/45/1049158945.db2.gz XSNPLMGSXWJAOK-UHFFFAOYSA-N 1 0 318.339 4.362 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC001179385843 1049162990 /nfs/dbraw/zinc/16/29/90/1049162990.db2.gz CHZNRNKOPYTPCA-UHFFFAOYSA-N 1 0 310.397 4.072 20 5 DIBDRO C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001204498093 1049176433 /nfs/dbraw/zinc/17/64/33/1049176433.db2.gz XETNPKTVUUDDOL-NSHDSACASA-N 1 0 316.323 4.236 20 5 DIBDRO Cc1cccc2[nH]c(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc21 ZINC001179574890 1049179350 /nfs/dbraw/zinc/17/93/50/1049179350.db2.gz IGGRBHGBCRRBRF-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO C[C@H](C[NH2+]Cc1cncc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001179685868 1049192524 /nfs/dbraw/zinc/19/25/24/1049192524.db2.gz RQKLZTXNJAEYGE-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001204584336 1049194126 /nfs/dbraw/zinc/19/41/26/1049194126.db2.gz ABEHIROHFDQOFF-BAILOTOSSA-N 1 0 322.408 4.488 20 5 DIBDRO CC(C)c1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000173373480 1049201165 /nfs/dbraw/zinc/20/11/65/1049201165.db2.gz HAAGCCAWHSDDHZ-LBPRGKRZSA-N 1 0 319.430 4.068 20 5 DIBDRO CC(C)c1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000173373490 1049202506 /nfs/dbraw/zinc/20/25/06/1049202506.db2.gz HAAGCCAWHSDDHZ-GFCCVEGCSA-N 1 0 319.430 4.068 20 5 DIBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001193459982 1049211876 /nfs/dbraw/zinc/21/18/76/1049211876.db2.gz JFFNSZZYBIAMLA-MAUKXSAKSA-N 1 0 320.433 4.264 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001193497001 1049216270 /nfs/dbraw/zinc/21/62/70/1049216270.db2.gz JNISXVCTKFFKGN-MAUKXSAKSA-N 1 0 320.433 4.168 20 5 DIBDRO C[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001193517164 1049222225 /nfs/dbraw/zinc/22/22/25/1049222225.db2.gz OOZGICZLKQYUSZ-LLVKDONJSA-N 1 0 316.323 4.236 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858270840 1049234077 /nfs/dbraw/zinc/23/40/77/1049234077.db2.gz NYHJVVSGYSWSEM-UHFFFAOYSA-N 1 0 320.767 4.409 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@]1(C)CCCS1 ZINC001204743603 1049249392 /nfs/dbraw/zinc/24/93/92/1049249392.db2.gz JERDZDGKGKOONJ-INIZCTEOSA-N 1 0 308.447 4.091 20 5 DIBDRO Cc1ccc(CCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001193743085 1049249864 /nfs/dbraw/zinc/24/98/64/1049249864.db2.gz IZDQBFIZRKJEIW-UHFFFAOYSA-N 1 0 312.413 4.010 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC001180091677 1049264126 /nfs/dbraw/zinc/26/41/26/1049264126.db2.gz DCPQTMSZBCFUNT-AAGJOFLKSA-N 1 0 322.408 4.445 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000858576843 1049281053 /nfs/dbraw/zinc/28/10/53/1049281053.db2.gz FRTBEXABYXSGCN-SMDDNHRTSA-N 1 0 305.403 4.243 20 5 DIBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001180202903 1049307202 /nfs/dbraw/zinc/30/72/02/1049307202.db2.gz DZRVYKHTVYJFEW-MFKMUULPSA-N 1 0 316.323 4.234 20 5 DIBDRO C[C@@H]([N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC001180253204 1049321014 /nfs/dbraw/zinc/32/10/14/1049321014.db2.gz HRQVQAHGOKZYGD-SNVBAGLBSA-N 1 0 318.339 4.480 20 5 DIBDRO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001180267496 1049323602 /nfs/dbraw/zinc/32/36/02/1049323602.db2.gz XCEVRJDRPAMGLH-GDBMZVCRSA-N 1 0 302.418 4.169 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC001180310254 1049329332 /nfs/dbraw/zinc/32/93/32/1049329332.db2.gz BNSNULQWRRLVRV-LSDHHAIUSA-N 1 0 318.417 4.218 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(F)c(F)c(F)c1 ZINC000173402814 1049331595 /nfs/dbraw/zinc/33/15/95/1049331595.db2.gz BYGQMKQZPZLOHI-VHSXEESVSA-N 1 0 324.302 4.424 20 5 DIBDRO C[C@H]1CCC[C@H](C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001180349669 1049342168 /nfs/dbraw/zinc/34/21/68/1049342168.db2.gz NZKURLHDOYROBW-STQMWFEESA-N 1 0 310.825 4.207 20 5 DIBDRO CC(C)c1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001194259908 1049350147 /nfs/dbraw/zinc/35/01/47/1049350147.db2.gz AJZPIYCCPNTECR-UHFFFAOYSA-N 1 0 312.413 4.393 20 5 DIBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCc2ccccc21 ZINC001194262470 1049351423 /nfs/dbraw/zinc/35/14/23/1049351423.db2.gz MXWHFHWGXVFOBV-KRWDZBQOSA-N 1 0 324.424 4.189 20 5 DIBDRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001180850419 1049411885 /nfs/dbraw/zinc/41/18/85/1049411885.db2.gz YMEOZEMRQUSNPL-GOEBONIOSA-N 1 0 304.434 4.332 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC001194807361 1049431900 /nfs/dbraw/zinc/43/19/00/1049431900.db2.gz QLVDHMRZEKZKLM-HNNXBMFYSA-N 1 0 318.417 4.004 20 5 DIBDRO C[C@H]1CCNCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001205333101 1049441149 /nfs/dbraw/zinc/44/11/49/1049441149.db2.gz WIJUEXQWUBYOTA-INIZCTEOSA-N 1 0 304.437 4.177 20 5 DIBDRO CC[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001205504025 1049488190 /nfs/dbraw/zinc/48/81/90/1049488190.db2.gz QPLWRCZQTAAGIJ-KRWDZBQOSA-N 1 0 312.413 4.263 20 5 DIBDRO Cc1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487151820 1049519964 /nfs/dbraw/zinc/51/99/64/1049519964.db2.gz IDIIPUVMJPZWSA-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001195429021 1049532595 /nfs/dbraw/zinc/53/25/95/1049532595.db2.gz ZDAJUEJCEWKXAD-XJKSGUPXSA-N 1 0 320.408 4.382 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1=CCCCC1 ZINC001182108100 1049570797 /nfs/dbraw/zinc/57/07/97/1049570797.db2.gz ARXNLJXYFBEUHR-UHFFFAOYSA-N 1 0 315.200 4.492 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC001196047922 1049608762 /nfs/dbraw/zinc/60/87/62/1049608762.db2.gz IDMBOPLBYCBTEU-UHFFFAOYSA-N 1 0 318.417 4.150 20 5 DIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC001196075277 1049611136 /nfs/dbraw/zinc/61/11/36/1049611136.db2.gz ZYMHDXZPPCARJE-QGZVFWFLSA-N 1 0 318.417 4.066 20 5 DIBDRO CCC[C@H]1CCCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001182371021 1049637013 /nfs/dbraw/zinc/63/70/13/1049637013.db2.gz YCAQXDDCVNDONI-IRXDYDNUSA-N 1 0 304.434 4.333 20 5 DIBDRO CC(C)[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CC=CC2 ZINC001182694396 1049700062 /nfs/dbraw/zinc/70/00/62/1049700062.db2.gz SXTNQIPVZSMBOR-INIZCTEOSA-N 1 0 320.820 4.425 20 5 DIBDRO C[NH+](C)CCn1cc(-c2cc3ccccc3c3ccccc23)cn1 ZINC001206353127 1049719499 /nfs/dbraw/zinc/71/94/99/1049719499.db2.gz KNMLYFFSNABJMA-UHFFFAOYSA-N 1 0 315.420 4.418 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000111397922 1049733772 /nfs/dbraw/zinc/73/37/72/1049733772.db2.gz SSSWUVQPHRZSAK-BATOGMGGSA-N 1 0 308.381 4.001 20 5 DIBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CCCC1 ZINC000489874285 1049789361 /nfs/dbraw/zinc/78/93/61/1049789361.db2.gz KRTNMMKHGBXLHV-UHFFFAOYSA-N 1 0 315.373 4.014 20 5 DIBDRO O=[N+]([O-])c1ccc(CN(Cc2cccc(F)c2F)C2CC2)cc1 ZINC000490822654 1049866303 /nfs/dbraw/zinc/86/63/03/1049866303.db2.gz DAMIGMHBYDNMKW-UHFFFAOYSA-N 1 0 318.323 4.038 20 5 DIBDRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001207434151 1049891932 /nfs/dbraw/zinc/89/19/32/1049891932.db2.gz UOVHURKLHBOBRJ-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001207535891 1049905630 /nfs/dbraw/zinc/90/56/30/1049905630.db2.gz OTDPUOZGKHAYPW-IAOVAPTHSA-N 1 0 320.433 4.229 20 5 DIBDRO CC(C)Oc1ccccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000055901856 1049977474 /nfs/dbraw/zinc/97/74/74/1049977474.db2.gz MMZNJDUBGBDMKP-UHFFFAOYSA-N 1 0 314.385 4.014 20 5 DIBDRO Cc1occc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347959 1050141370 /nfs/dbraw/zinc/14/13/70/1050141370.db2.gz KOFNQIAEJAWRNE-QGZVFWFLSA-N 1 0 300.358 4.054 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cl)o1)CCCC2 ZINC000591348192 1050142152 /nfs/dbraw/zinc/14/21/52/1050142152.db2.gz BWYWMVXHTRHTGO-HNNXBMFYSA-N 1 0 320.776 4.399 20 5 DIBDRO O=[N+]([O-])c1cccc(Nc2ccc(C[NH+]3CCCC3)cc2)c1F ZINC001210379716 1050225779 /nfs/dbraw/zinc/22/57/79/1050225779.db2.gz GZRBSBAFZKIWDT-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CC=CCC1 ZINC001168401222 1050235070 /nfs/dbraw/zinc/23/50/70/1050235070.db2.gz GXYMIXLETVXQTL-HNNXBMFYSA-N 1 0 318.417 4.170 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1Nc1cc[nH+]c(C(C)(C)C)c1 ZINC001210444155 1050246718 /nfs/dbraw/zinc/24/67/18/1050246718.db2.gz DSKGRZGJDWQOCX-UHFFFAOYSA-N 1 0 301.346 4.040 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000592375349 1050290256 /nfs/dbraw/zinc/29/02/56/1050290256.db2.gz FLBSFGUFIODYBT-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000592392385 1050291602 /nfs/dbraw/zinc/29/16/02/1050291602.db2.gz PQERVXDXNLNBKR-NHYWBVRUSA-N 1 0 312.360 4.243 20 5 DIBDRO Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CCC2)cc1[N+](=O)[O-] ZINC000592376164 1050291857 /nfs/dbraw/zinc/29/18/57/1050291857.db2.gz ZRNHURAMEZIVJF-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO Cc1c(C[NH2+][C@H](CC(C)C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000592389649 1050296885 /nfs/dbraw/zinc/29/68/85/1050296885.db2.gz ABCHSEHQZHKHAI-QGZVFWFLSA-N 1 0 313.401 4.175 20 5 DIBDRO C[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000735077187 1050343330 /nfs/dbraw/zinc/34/33/30/1050343330.db2.gz HFSSZYFPYXCIMB-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO C[C@H]([NH2+]C1(c2ccccc2F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000592396748 1050382121 /nfs/dbraw/zinc/38/21/21/1050382121.db2.gz QXFVRFMBPFYLDK-ZDUSSCGKSA-N 1 0 314.360 4.464 20 5 DIBDRO C[C@@H]([NH2+]C1(c2ccccc2F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000592396746 1050382251 /nfs/dbraw/zinc/38/22/51/1050382251.db2.gz QXFVRFMBPFYLDK-CYBMUJFWSA-N 1 0 314.360 4.464 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C(C2CCCC2)C2CCCC2)cs1 ZINC000735508624 1050401085 /nfs/dbraw/zinc/40/10/85/1050401085.db2.gz HVQFNMYNOUYQSG-UHFFFAOYSA-N 1 0 308.447 4.495 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000786160651 1050454531 /nfs/dbraw/zinc/45/45/31/1050454531.db2.gz KGCRRORXNWOOQO-UHFFFAOYSA-N 1 0 315.760 4.019 20 5 DIBDRO CCC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594496089 1050519777 /nfs/dbraw/zinc/51/97/77/1050519777.db2.gz ZZWJEFBFCAQZFE-DOTOQJQBSA-N 1 0 311.385 4.108 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1F ZINC000594512567 1050525240 /nfs/dbraw/zinc/52/52/40/1050525240.db2.gz WFGUMTZYXJESQT-MRXNPFEDSA-N 1 0 302.349 4.283 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC3(CCCC3)O2)cccc1[N+](=O)[O-] ZINC000594517413 1050527688 /nfs/dbraw/zinc/52/76/88/1050527688.db2.gz BVBZWSGCXSORAT-GJZGRUSLSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1cccc2[nH]c(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000594940686 1050578089 /nfs/dbraw/zinc/57/80/89/1050578089.db2.gz QTZHAWOAMCQXCG-UHFFFAOYSA-N 1 0 323.396 4.409 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000594968069 1050584382 /nfs/dbraw/zinc/58/43/82/1050584382.db2.gz DODDGCBWYLAGEP-KRWDZBQOSA-N 1 0 302.349 4.221 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000594984258 1050588804 /nfs/dbraw/zinc/58/88/04/1050588804.db2.gz QHGJIPALONMCED-HYXAFXHYSA-N 1 0 322.355 4.166 20 5 DIBDRO CC(C)([NH3+])CNc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001171188692 1050593128 /nfs/dbraw/zinc/59/31/28/1050593128.db2.gz PHZWROKSOXPHQD-UHFFFAOYSA-N 1 0 316.408 4.085 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)cccc1[N+](=O)[O-] ZINC000595043423 1050600619 /nfs/dbraw/zinc/60/06/19/1050600619.db2.gz XZQKGNNIRKHVST-NSHDSACASA-N 1 0 321.327 4.087 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000595047226 1050602957 /nfs/dbraw/zinc/60/29/57/1050602957.db2.gz CEGCHMFQOXWAIF-RDTXWAMCSA-N 1 0 313.401 4.224 20 5 DIBDRO CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595082681 1050609873 /nfs/dbraw/zinc/60/98/73/1050609873.db2.gz CPYUQOMXUKZLNM-UKRRQHHQSA-N 1 0 308.397 4.034 20 5 DIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC(F)(F)C1 ZINC000787732526 1050620170 /nfs/dbraw/zinc/62/01/70/1050620170.db2.gz ZAYSMGMDDAMTIS-SNVBAGLBSA-N 1 0 318.751 4.115 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595407250 1050630230 /nfs/dbraw/zinc/63/02/30/1050630230.db2.gz FFNNYKXFJKKVHP-INIZCTEOSA-N 1 0 302.349 4.365 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000595368510 1050631001 /nfs/dbraw/zinc/63/10/01/1050631001.db2.gz ILBFKPJRIDQWHY-GOSISDBHSA-N 1 0 314.360 4.365 20 5 DIBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]1(F)Cl ZINC000846032887 1050650669 /nfs/dbraw/zinc/65/06/69/1050650669.db2.gz NCCBWNMHFCAHIH-OLZOCXBDSA-N 1 0 321.179 4.043 20 5 DIBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]1(F)Cl ZINC000846035250 1050653437 /nfs/dbraw/zinc/65/34/37/1050653437.db2.gz TZIMNXZQSFLHCO-QWHCGFSZSA-N 1 0 321.179 4.043 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1C ZINC000788469393 1050685089 /nfs/dbraw/zinc/68/50/89/1050685089.db2.gz JDEMEVQEPQKDKY-UHFFFAOYSA-N 1 0 302.349 4.064 20 5 DIBDRO C[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846209928 1050685940 /nfs/dbraw/zinc/68/59/40/1050685940.db2.gz JBWVWILWYNQNFY-CMPLNLGQSA-N 1 0 317.216 4.219 20 5 DIBDRO Cc1ccc([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788477644 1050686899 /nfs/dbraw/zinc/68/68/99/1050686899.db2.gz DSDVNFMPHVJNQY-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1F ZINC000846191970 1050693224 /nfs/dbraw/zinc/69/32/24/1050693224.db2.gz YNXNHAJEQBPOGJ-BZNIZROVSA-N 1 0 317.364 4.118 20 5 DIBDRO C[C@@H](CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788814320 1050762267 /nfs/dbraw/zinc/76/22/67/1050762267.db2.gz KZPWDDHCAULJCX-KBPBESRZSA-N 1 0 313.401 4.021 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000302744743 1050854117 /nfs/dbraw/zinc/85/41/17/1050854117.db2.gz OQXMKXUQZSKPOJ-GFCCVEGCSA-N 1 0 304.777 4.441 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001171299006 1050865276 /nfs/dbraw/zinc/86/52/76/1050865276.db2.gz WFRGDMOOXIISQF-DLBZAZTESA-N 1 0 304.434 4.284 20 5 DIBDRO Cc1cc(C[NH2+]Cc2c3ccccc3cc3ccccc32)n(C)n1 ZINC000790600439 1050976875 /nfs/dbraw/zinc/97/68/75/1050976875.db2.gz BWLQYEBOQILWFI-UHFFFAOYSA-N 1 0 315.420 4.325 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(C2CCCC2)CC1 ZINC000743856639 1051076605 /nfs/dbraw/zinc/07/66/05/1051076605.db2.gz NABDCPXPPUVGSD-UHFFFAOYSA-N 1 0 306.381 4.136 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000036992532 1051105308 /nfs/dbraw/zinc/10/53/08/1051105308.db2.gz CYSGOORECKRWBB-STQMWFEESA-N 1 0 304.415 4.247 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCc1cccc2ncoc21 ZINC001171460351 1051140499 /nfs/dbraw/zinc/14/04/99/1051140499.db2.gz PAABHYGDOVVZPC-UHFFFAOYSA-N 1 0 310.421 4.036 20 5 DIBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171461147 1051141372 /nfs/dbraw/zinc/14/13/72/1051141372.db2.gz ZOBGCGWTMSGAFX-WMZOPIPTSA-N 1 0 316.445 4.286 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171461145 1051141771 /nfs/dbraw/zinc/14/17/71/1051141771.db2.gz ZOBGCGWTMSGAFX-SJLPKXTDSA-N 1 0 316.445 4.286 20 5 DIBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171461141 1051142441 /nfs/dbraw/zinc/14/24/41/1051142441.db2.gz ZOBGCGWTMSGAFX-AEFFLSMTSA-N 1 0 316.445 4.286 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+]CCC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170295608 1051178017 /nfs/dbraw/zinc/17/80/17/1051178017.db2.gz CHYBIYOBVBXVNT-CQSZACIVSA-N 1 0 320.433 4.094 20 5 DIBDRO CCC1([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC001170305376 1051179552 /nfs/dbraw/zinc/17/95/52/1051179552.db2.gz JWLFHFFBLQBKRF-AWEZNQCLSA-N 1 0 320.433 4.237 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170306443 1051179964 /nfs/dbraw/zinc/17/99/64/1051179964.db2.gz VGCVWEMXTCJZNR-ZDUSSCGKSA-N 1 0 322.449 4.339 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+]CC2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170312207 1051183592 /nfs/dbraw/zinc/18/35/92/1051183592.db2.gz DSWLDFNWNGXFGW-AWEZNQCLSA-N 1 0 320.433 4.094 20 5 DIBDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@H]2CC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170355372 1051187987 /nfs/dbraw/zinc/18/79/87/1051187987.db2.gz BLXJRLMMBYPVLG-IIAWOOMASA-N 1 0 320.433 4.045 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC001171853941 1051233766 /nfs/dbraw/zinc/23/37/66/1051233766.db2.gz RNJIODOOCGTMCO-CKFHNAJUSA-N 1 0 310.397 4.282 20 5 DIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001168979149 1051477340 /nfs/dbraw/zinc/47/73/40/1051477340.db2.gz CNBPJEKYQMVXKE-CVEARBPZSA-N 1 0 320.433 4.442 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC001168956979 1051478955 /nfs/dbraw/zinc/47/89/55/1051478955.db2.gz DIMMNMFGHFUGFG-HOSYDEDBSA-N 1 0 317.216 4.089 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCCCCC2)C1 ZINC001168967572 1051481266 /nfs/dbraw/zinc/48/12/66/1051481266.db2.gz QXDLVQGWTHUEBS-WMZOPIPTSA-N 1 0 316.445 4.271 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CCC2)c2cccc(F)c2)C1 ZINC001168998430 1051485936 /nfs/dbraw/zinc/48/59/36/1051485936.db2.gz MZODKEGVOHOVBB-ZTFGCOKTSA-N 1 0 320.408 4.092 20 5 DIBDRO C[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006871 1051487185 /nfs/dbraw/zinc/48/71/85/1051487185.db2.gz JXVULWMVWKDHPI-QFBILLFUSA-N 1 0 324.424 4.153 20 5 DIBDRO N[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1F ZINC001206174160 1051490144 /nfs/dbraw/zinc/49/01/44/1051490144.db2.gz MAEKKDHQUCQJIH-NHCUHLMSSA-N 1 0 322.427 4.254 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CCCCC2)C1 ZINC001168988427 1051491203 /nfs/dbraw/zinc/49/12/03/1051491203.db2.gz SDFXHGWPFJMKDH-RHSMWYFYSA-N 1 0 320.408 4.020 20 5 DIBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897959 1051550657 /nfs/dbraw/zinc/55/06/57/1051550657.db2.gz GIQQVHVKWZCQGA-RPVQJOFSSA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC1=CCCCC1)CC2 ZINC001172901833 1051551329 /nfs/dbraw/zinc/55/13/29/1051551329.db2.gz PWXPWOHCFJMSLT-GOSISDBHSA-N 1 0 314.429 4.322 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC1CCCC1)CC2 ZINC001172900775 1051551542 /nfs/dbraw/zinc/55/15/42/1051551542.db2.gz ZTDUGDDLESFXAX-QGZVFWFLSA-N 1 0 302.418 4.012 20 5 DIBDRO C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905037 1051553215 /nfs/dbraw/zinc/55/32/15/1051553215.db2.gz BTQJKRBYSYSFGN-JKIFEVAISA-N 1 0 302.418 4.105 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccs1 ZINC001172895634 1051569361 /nfs/dbraw/zinc/56/93/61/1051569361.db2.gz GSDQIMFMBVHFGY-SWLSCSKDSA-N 1 0 316.426 4.255 20 5 DIBDRO C[N@H+](Cc1ccsc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914871 1051569748 /nfs/dbraw/zinc/56/97/48/1051569748.db2.gz KMQIIHLRLUQHFQ-INIZCTEOSA-N 1 0 316.426 4.036 20 5 DIBDRO C[N@H+](Cc1cccs1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914519 1051570818 /nfs/dbraw/zinc/57/08/18/1051570818.db2.gz HHUWIOZUMLMIRI-OAHLLOKOSA-N 1 0 316.426 4.036 20 5 DIBDRO C[N@H+](Cc1ccsc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914875 1051571050 /nfs/dbraw/zinc/57/10/50/1051571050.db2.gz KMQIIHLRLUQHFQ-MRXNPFEDSA-N 1 0 316.426 4.036 20 5 DIBDRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912057 1051580331 /nfs/dbraw/zinc/58/03/31/1051580331.db2.gz LNPFQTQQGCWCJF-NVXWUHKLSA-N 1 0 302.418 4.011 20 5 DIBDRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912060 1051581382 /nfs/dbraw/zinc/58/13/82/1051581382.db2.gz LNPFQTQQGCWCJF-RDJZCZTQSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761507719 1051582263 /nfs/dbraw/zinc/58/22/63/1051582263.db2.gz UDLQBYFMQYHMCI-LBPRGKRZSA-N 1 0 304.777 4.441 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1Cl ZINC000761507774 1051583190 /nfs/dbraw/zinc/58/31/90/1051583190.db2.gz WURRRUHBEWDJLS-UHFFFAOYSA-N 1 0 322.817 4.474 20 5 DIBDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761524065 1051584868 /nfs/dbraw/zinc/58/48/68/1051584868.db2.gz SUNGGJHVNUMILT-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761519721 1051587745 /nfs/dbraw/zinc/58/77/45/1051587745.db2.gz GEGLXFORZCECAG-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2cccs2)cc1Cl ZINC000761528308 1051590186 /nfs/dbraw/zinc/59/01/86/1051590186.db2.gz ZSGHUPZBVOAHNY-UHFFFAOYSA-N 1 0 310.806 4.032 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ccccc2c1 ZINC001173216264 1051635246 /nfs/dbraw/zinc/63/52/46/1051635246.db2.gz HYJKDYUAMZDVGF-HNNXBMFYSA-N 1 0 320.392 4.469 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccccc1)C1CC1 ZINC001173216635 1051635355 /nfs/dbraw/zinc/63/53/55/1051635355.db2.gz MIWOGYAIZDDIAQ-AUUYWEPGSA-N 1 0 310.397 4.267 20 5 DIBDRO C[NH2+]Cc1ccc2c(ccn2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173221431 1051636485 /nfs/dbraw/zinc/63/64/85/1051636485.db2.gz IJAQHIFWRCQZEI-AWEZNQCLSA-N 1 0 323.396 4.073 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC001173220065 1051636568 /nfs/dbraw/zinc/63/65/68/1051636568.db2.gz SOVDVAYVPRNTSX-BLLLJJGKSA-N 1 0 302.374 4.168 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2[C@H]1C ZINC001173223944 1051637121 /nfs/dbraw/zinc/63/71/21/1051637121.db2.gz BXDVNRITODJNJD-HUUCEWRRSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001173220656 1051637445 /nfs/dbraw/zinc/63/74/45/1051637445.db2.gz DQUPOAWBEMLJCE-SWLSCSKDSA-N 1 0 324.371 4.083 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001173228939 1051638242 /nfs/dbraw/zinc/63/82/42/1051638242.db2.gz OEHMIHCUYFJSOY-MAUKXSAKSA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC001173227194 1051638557 /nfs/dbraw/zinc/63/85/57/1051638557.db2.gz OGKQCOHXMFOICH-BBRMVZONSA-N 1 0 316.426 4.424 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001173226771 1051638677 /nfs/dbraw/zinc/63/86/77/1051638677.db2.gz LFDVKNKYEGGHQV-VQIMIIECSA-N 1 0 324.424 4.405 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H](C)c1ccc(O)cc1 ZINC001169538796 1051638764 /nfs/dbraw/zinc/63/87/64/1051638764.db2.gz KJVUQHXLDUXTDG-INIZCTEOSA-O 1 0 313.465 4.204 20 5 DIBDRO Cc1cccc(C2([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173230176 1051639098 /nfs/dbraw/zinc/63/90/98/1051639098.db2.gz RLCAZVCETLCAOI-OAHLLOKOSA-N 1 0 310.397 4.113 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)CCC(F)(F)CC1 ZINC001173226202 1051639662 /nfs/dbraw/zinc/63/96/62/1051639662.db2.gz WBMHDKXEDBYMOZ-LBPRGKRZSA-N 1 0 312.360 4.083 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])C1CCCCCC1 ZINC001173233922 1051640649 /nfs/dbraw/zinc/64/06/49/1051640649.db2.gz LKNVUJQHRMXYDF-ZDUSSCGKSA-N 1 0 303.406 4.063 20 5 DIBDRO Cc1cccc(CC[N@@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173231709 1051641742 /nfs/dbraw/zinc/64/17/42/1051641742.db2.gz CJVKGDAACZIILP-MRXNPFEDSA-N 1 0 312.413 4.009 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])C1CCCCCC1 ZINC001173233921 1051642001 /nfs/dbraw/zinc/64/20/01/1051642001.db2.gz LKNVUJQHRMXYDF-CYBMUJFWSA-N 1 0 303.406 4.063 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC001169557767 1051644528 /nfs/dbraw/zinc/64/45/28/1051644528.db2.gz ZNRKVSNUBJXSDR-LSDHHAIUSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)cc1Cl ZINC001173213829 1051650035 /nfs/dbraw/zinc/65/00/35/1051650035.db2.gz KZTOHFHIFVKOIJ-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494035646 1051683830 /nfs/dbraw/zinc/68/38/30/1051683830.db2.gz ADXYMNDKUYMMDN-ZDUSSCGKSA-N 1 0 309.369 4.269 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(Cl)cc1F ZINC000494394706 1051890301 /nfs/dbraw/zinc/89/03/01/1051890301.db2.gz SKHDOBOVTSTIRS-HWKANZROSA-N 1 0 320.751 4.190 20 5 DIBDRO Cn1cc(C[N@H+](C)Cc2c3ccccc3cc3ccccc32)cn1 ZINC000768199839 1051894636 /nfs/dbraw/zinc/89/46/36/1051894636.db2.gz KDAYCKNRCKSEEI-UHFFFAOYSA-N 1 0 315.420 4.359 20 5 DIBDRO Cc1cscc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000494475988 1051901868 /nfs/dbraw/zinc/90/18/68/1051901868.db2.gz NLWWAFKFBXUSGQ-MRXNPFEDSA-N 1 0 316.426 4.076 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC2CCC1CC2 ZINC001170527561 1051910264 /nfs/dbraw/zinc/91/02/64/1051910264.db2.gz KJDGVJKPSWJSQI-KVULBXGLSA-N 1 0 318.417 4.050 20 5 DIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C1=CCCC1 ZINC001173998086 1051924775 /nfs/dbraw/zinc/92/47/75/1051924775.db2.gz FNRJJRCEAHJIPP-UHFFFAOYSA-N 1 0 319.408 4.280 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(C3CC3)CC2)c2ccccc2)c1 ZINC000494733850 1052023758 /nfs/dbraw/zinc/02/37/58/1052023758.db2.gz ZGFKRHADNVGVOD-IBGZPJMESA-N 1 0 322.408 4.464 20 5 DIBDRO C[N@H+](Cc1cc[nH]n1)Cc1c2ccccc2cc2ccccc21 ZINC000769384065 1052036726 /nfs/dbraw/zinc/03/67/26/1052036726.db2.gz KYJKHYVXQRYCDJ-UHFFFAOYSA-N 1 0 301.393 4.348 20 5 DIBDRO c1cn2cc(Nc3cc4cccnc4c4ncccc34)ccc2[nH+]1 ZINC001174277315 1052085408 /nfs/dbraw/zinc/08/54/08/1052085408.db2.gz BKAGOROIFOEPPQ-UHFFFAOYSA-N 1 0 311.348 4.174 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217775104 1052139244 /nfs/dbraw/zinc/13/92/44/1052139244.db2.gz BJLPXPHSFAQSSC-BTYIYWSLSA-N 1 0 320.436 4.293 20 5 DIBDRO F[C@@H]1C[NH2+]CC[C@H]1OCc1c2ccccc2cc2ccccc21 ZINC001217796327 1052144518 /nfs/dbraw/zinc/14/45/18/1052144518.db2.gz YQMMEMYEHFKPGL-WOJBJXKFSA-N 1 0 309.384 4.210 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000494848060 1052150343 /nfs/dbraw/zinc/15/03/43/1052150343.db2.gz RBJRDSKYRRMDPW-VVEJJEBESA-N 1 0 316.323 4.319 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1CCC12C[NH2+]C2 ZINC001217849954 1052154970 /nfs/dbraw/zinc/15/49/70/1052154970.db2.gz PSGGUJWRDMTGHJ-HXUWFJFHSA-N 1 0 303.405 4.262 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1C[C@@H]2C[NH2+]C[C@@H]12 ZINC001217880725 1052162780 /nfs/dbraw/zinc/16/27/80/1052162780.db2.gz ISXWSJIDCBYFTE-OZOXKJRCSA-N 1 0 303.405 4.118 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@@H]1C[C@H]2C[NH2+][C@@H]1C2 ZINC001217942604 1052175182 /nfs/dbraw/zinc/17/51/82/1052175182.db2.gz JWWAZBINKZVQNA-LVXYXVKQSA-N 1 0 303.405 4.260 20 5 DIBDRO F[C@@H]1C[NH2+]CCC[C@H]1Oc1c2ccccc2cc2ccccc21 ZINC001217952939 1052176105 /nfs/dbraw/zinc/17/61/05/1052176105.db2.gz YQTGHNAXOQMPAJ-RTBURBONSA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001217985561 1052180890 /nfs/dbraw/zinc/18/08/90/1052180890.db2.gz GYFUWYUJUSFXAU-KSSFIOAISA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001217989006 1052180967 /nfs/dbraw/zinc/18/09/67/1052180967.db2.gz LVLBKTUDLMYIAU-IFXJQAMLSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001217985560 1052181326 /nfs/dbraw/zinc/18/13/26/1052181326.db2.gz GYFUWYUJUSFXAU-KDOFPFPSSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218028488 1052187128 /nfs/dbraw/zinc/18/71/28/1052187128.db2.gz VDKMZGZUIOCYPN-IFXJQAMLSA-N 1 0 306.409 4.155 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4C[NH2+][C@H](C)C4)c3c2n1 ZINC001218041998 1052187854 /nfs/dbraw/zinc/18/78/54/1052187854.db2.gz JWXLJONQPXVOLG-CZUORRHYSA-N 1 0 306.409 4.134 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218030542 1052188080 /nfs/dbraw/zinc/18/80/80/1052188080.db2.gz RYJXRALSXFKYHC-LIRRHRJNSA-N 1 0 321.420 4.466 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4C[NH2+][C@H](C)C4)c3c2n1 ZINC001218049241 1052190036 /nfs/dbraw/zinc/19/00/36/1052190036.db2.gz JWXLJONQPXVOLG-CJNGLKHVSA-N 1 0 306.409 4.134 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@@H]3CCC34CC[NH2+]CC4)cc2c1 ZINC001218083711 1052193997 /nfs/dbraw/zinc/19/39/97/1052193997.db2.gz VDRSIDNITKHSNX-LJQANCHMSA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218080035 1052194057 /nfs/dbraw/zinc/19/40/57/1052194057.db2.gz AYFSSSFLLJKEPT-IBGZPJMESA-N 1 0 318.420 4.299 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@H]3CCC[C@@]34CC[NH2+]C4)c12 ZINC001218095842 1052196529 /nfs/dbraw/zinc/19/65/29/1052196529.db2.gz PXGIPJDUIGWOFG-RXVVDRJESA-N 1 0 318.420 4.299 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)c12 ZINC001218095841 1052196722 /nfs/dbraw/zinc/19/67/22/1052196722.db2.gz PXGIPJDUIGWOFG-NQIIRXRSSA-N 1 0 318.420 4.299 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000193132723 1052197762 /nfs/dbraw/zinc/19/77/62/1052197762.db2.gz AQMGDRVOSCFYNG-NSHDSACASA-N 1 0 320.414 4.133 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000495017996 1052199356 /nfs/dbraw/zinc/19/93/56/1052199356.db2.gz MMWNSFNSMUEALK-QWHCGFSZSA-N 1 0 312.360 4.461 20 5 DIBDRO c1ccc2c(c1)nc(O[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)c1ccccc21 ZINC001218185102 1052203102 /nfs/dbraw/zinc/20/31/02/1052203102.db2.gz UREXTKPAMMGCRL-FICVDOATSA-N 1 0 304.393 4.050 20 5 DIBDRO c1ccc2c(c1)nc(O[C@@H]1CC[NH2+]C3(CCC3)C1)c1ccccc21 ZINC001218307876 1052221344 /nfs/dbraw/zinc/22/13/44/1052221344.db2.gz VOELQCXNEKWKNN-OAHLLOKOSA-N 1 0 318.420 4.442 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218310457 1052222634 /nfs/dbraw/zinc/22/26/34/1052222634.db2.gz VUTIBLTXIGNTNE-INIZCTEOSA-N 1 0 318.420 4.442 20 5 DIBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218414386 1052237514 /nfs/dbraw/zinc/23/75/14/1052237514.db2.gz KLVIGOURIPNWLN-FZKQIMNGSA-N 1 0 307.393 4.075 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c2ccccc12 ZINC001218458839 1052241983 /nfs/dbraw/zinc/24/19/83/1052241983.db2.gz DKOPIFBGYHHVLR-ZNZDAUKMSA-N 1 0 319.404 4.075 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccsc1 ZINC000495222253 1052260219 /nfs/dbraw/zinc/26/02/19/1052260219.db2.gz NUIJUXJCCGIFFR-CYBMUJFWSA-N 1 0 304.415 4.109 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000495373778 1052328938 /nfs/dbraw/zinc/32/89/38/1052328938.db2.gz INPJMWONAWPZTI-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000495401934 1052336004 /nfs/dbraw/zinc/33/60/04/1052336004.db2.gz OYAPOYPFDDWDKC-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000193901920 1052510277 /nfs/dbraw/zinc/51/02/77/1052510277.db2.gz WREINBRPUHGLTJ-NEPJUHHUSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000915883477 1052553974 /nfs/dbraw/zinc/55/39/74/1052553974.db2.gz MOAPQNAPOBUWSJ-CYBMUJFWSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OC1(Cl)c2ccccc2-c2ccccc21 ZINC001223116871 1052569227 /nfs/dbraw/zinc/56/92/27/1052569227.db2.gz HOIQWORLQOVTTP-CQSZACIVSA-N 1 0 316.852 4.218 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OCc1ccccc1Oc1ccccc1 ZINC001223200772 1052578810 /nfs/dbraw/zinc/57/88/10/1052578810.db2.gz POCBFDCZTXCTGM-INIZCTEOSA-N 1 0 300.422 4.090 20 5 DIBDRO Cc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000076901860 1052595611 /nfs/dbraw/zinc/59/56/11/1052595611.db2.gz DZISDKDQEZBABW-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC001224027943 1052662256 /nfs/dbraw/zinc/66/22/56/1052662256.db2.gz YDZTUKXPIXASRP-ZSGPHXLJSA-N 1 0 318.417 4.076 20 5 DIBDRO C[N+](C)(C)CCCO[C@H]1CCc2cc(Cl)c(Cl)cc21 ZINC001224624599 1052710601 /nfs/dbraw/zinc/71/06/01/1052710601.db2.gz YKGUXZBNKTWNIE-HNNXBMFYSA-N 1 0 303.253 4.094 20 5 DIBDRO C[N+](C)(C)CCO[C@@H](c1ccccc1)c1ccccc1Cl ZINC001224773112 1052724137 /nfs/dbraw/zinc/72/41/37/1052724137.db2.gz DMHGFKPKGGJSNW-SFHVURJKSA-N 1 0 304.841 4.152 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001225712021 1052819670 /nfs/dbraw/zinc/81/96/70/1052819670.db2.gz CCDWSRBQALWYHQ-WDNDVIMCSA-N 1 0 324.808 4.031 20 5 DIBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609288224 1052840137 /nfs/dbraw/zinc/84/01/37/1052840137.db2.gz DUIMTVTZUVWBDX-CABCVRRESA-N 1 0 306.406 4.052 20 5 DIBDRO COc1ccc(C[NH2+]CCCC2CCCCC2)cc1[N+](=O)[O-] ZINC000609287689 1052841049 /nfs/dbraw/zinc/84/10/49/1052841049.db2.gz QVMUBSGOWICXCT-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO Cc1cc2cc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000556898821 1052896428 /nfs/dbraw/zinc/89/64/28/1052896428.db2.gz RLCRLZGRZPHSJI-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000556921038 1052900574 /nfs/dbraw/zinc/90/05/74/1052900574.db2.gz LTUWOLNUNIOVNI-CHWSQXEVSA-N 1 0 324.384 4.191 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000556921040 1052900915 /nfs/dbraw/zinc/90/09/15/1052900915.db2.gz LTUWOLNUNIOVNI-QWHCGFSZSA-N 1 0 324.384 4.191 20 5 DIBDRO CC[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000556981670 1052908174 /nfs/dbraw/zinc/90/81/74/1052908174.db2.gz KHZWRSYFBFDZQK-LBTNJELSSA-N 1 0 320.433 4.229 20 5 DIBDRO CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000556981668 1052908239 /nfs/dbraw/zinc/90/82/39/1052908239.db2.gz KHZWRSYFBFDZQK-KRXQYRFLSA-N 1 0 320.433 4.229 20 5 DIBDRO c1ccc2c(c1)nc(OC1CC[NH+](C3CC3)CC1)c1ccccc21 ZINC001226992520 1052952015 /nfs/dbraw/zinc/95/20/15/1052952015.db2.gz LIHVHFJEPOVUEA-UHFFFAOYSA-N 1 0 318.420 4.394 20 5 DIBDRO C[N@@H+]1CCC[C@@H](Oc2nc3ccccc3c3ccccc32)CC1 ZINC001226993411 1052952343 /nfs/dbraw/zinc/95/23/43/1052952343.db2.gz WFBJRPRPRURTJF-OAHLLOKOSA-N 1 0 306.409 4.251 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000609919284 1052999303 /nfs/dbraw/zinc/99/93/03/1052999303.db2.gz YAMHTILBSYZGQQ-GOSISDBHSA-N 1 0 310.397 4.014 20 5 DIBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000610002058 1053002257 /nfs/dbraw/zinc/00/22/57/1053002257.db2.gz ZRMQXQLALAIBIS-DZGCQCFKSA-N 1 0 306.406 4.004 20 5 DIBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc3ccc4cccnc4c31)C2 ZINC001227764211 1053014850 /nfs/dbraw/zinc/01/48/50/1053014850.db2.gz MIGRHDRUPBGGRR-BCDXTJNWSA-N 1 0 318.420 4.392 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC001228199282 1053052430 /nfs/dbraw/zinc/05/24/30/1053052430.db2.gz GWJAZFIQYCNHNF-QGZVFWFLSA-N 1 0 312.477 4.486 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001228442604 1053104156 /nfs/dbraw/zinc/10/41/56/1053104156.db2.gz ZXRVWVFXZUVLJB-CQSZACIVSA-N 1 0 304.841 4.481 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000069221335 1053140393 /nfs/dbraw/zinc/14/03/93/1053140393.db2.gz SCIDKCPKUSBCAE-UHFFFAOYSA-N 1 0 319.792 4.054 20 5 DIBDRO CC(C)[N@H+](CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001318267899 1053158083 /nfs/dbraw/zinc/15/80/83/1053158083.db2.gz SKDJBXWGFKGYSN-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228742077 1053172174 /nfs/dbraw/zinc/17/21/74/1053172174.db2.gz VLVMCBHEPGJGGK-MRXNPFEDSA-N 1 0 321.424 4.035 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181610411 1053258104 /nfs/dbraw/zinc/25/81/04/1053258104.db2.gz VOEVSCFOHTUBQF-QGZVFWFLSA-N 1 0 320.339 4.360 20 5 DIBDRO CC[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000182221873 1053379057 /nfs/dbraw/zinc/37/90/57/1053379057.db2.gz PUWLBPXIIQJJJU-KRWDZBQOSA-N 1 0 314.360 4.464 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)cc(/C=C/c2ccccc2)c1 ZINC001229672423 1053380659 /nfs/dbraw/zinc/38/06/59/1053380659.db2.gz WFWYJGYTNJABMO-OFAQMXQXSA-O 1 0 312.433 4.036 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001321281991 1053404488 /nfs/dbraw/zinc/40/44/88/1053404488.db2.gz RLWATPMKNCFOJA-HNNXBMFYSA-N 1 0 306.312 4.114 20 5 DIBDRO C[C@H](c1cccc(O)c1)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182335534 1053414501 /nfs/dbraw/zinc/41/45/01/1053414501.db2.gz NECUXXQDHMEUJJ-LLVKDONJSA-N 1 0 320.776 4.147 20 5 DIBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1 ZINC001322149771 1053465126 /nfs/dbraw/zinc/46/51/26/1053465126.db2.gz MTHNYGBXXHQLID-XQRVVYSFSA-N 1 0 318.323 4.018 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000619611302 1053517808 /nfs/dbraw/zinc/51/78/08/1053517808.db2.gz IEJUGHHWLYSUCS-DLBZAZTESA-N 1 0 311.385 4.108 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000619611305 1053519148 /nfs/dbraw/zinc/51/91/48/1053519148.db2.gz IEJUGHHWLYSUCS-SJORKVTESA-N 1 0 311.385 4.108 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1coc2ccccc12 ZINC000619846239 1053566366 /nfs/dbraw/zinc/56/63/66/1053566366.db2.gz UVMSATRHUXBFPD-UHFFFAOYSA-N 1 0 310.353 4.016 20 5 DIBDRO CC(C)c1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000183710438 1053740337 /nfs/dbraw/zinc/74/03/37/1053740337.db2.gz HTMRJCHLIWXMKQ-AWEZNQCLSA-N 1 0 313.401 4.306 20 5 DIBDRO CCC[C@@H](CCc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001200724283 1053923475 /nfs/dbraw/zinc/92/34/75/1053923475.db2.gz VENFSHPUPFFUOP-SFHVURJKSA-N 1 0 312.413 4.486 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCCC1CCCC1 ZINC001200784992 1053973429 /nfs/dbraw/zinc/97/34/29/1053973429.db2.gz WCTLHHPHLDVEJG-UHFFFAOYSA-N 1 0 320.433 4.444 20 5 DIBDRO C[C@@H]1CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219210 1053993830 /nfs/dbraw/zinc/99/38/30/1053993830.db2.gz SEVUAXFTJSPDKZ-OAHLLOKOSA-N 1 0 305.425 4.405 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CCC4(CC4)CC3)nc12 ZINC001232219590 1053996188 /nfs/dbraw/zinc/99/61/88/1053996188.db2.gz VTURCRCDPIZZHM-UHFFFAOYSA-N 1 0 303.409 4.159 20 5 DIBDRO CSCCCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848545270 1054140608 /nfs/dbraw/zinc/14/06/08/1054140608.db2.gz UKPSVKFRAHEIBC-OAHLLOKOSA-N 1 0 308.447 4.095 20 5 DIBDRO CC(C)[N@H+](CCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001335000276 1054205555 /nfs/dbraw/zinc/20/55/55/1054205555.db2.gz DQRCHASGFYGBPU-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cccc(C(F)F)c1 ZINC001338641902 1054312241 /nfs/dbraw/zinc/31/22/41/1054312241.db2.gz PONXXCOTSRKPEM-YWEYNIOJSA-N 1 0 318.323 4.335 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H](C)C[NH+](C)C)c3c2n1 ZINC001234909254 1054617830 /nfs/dbraw/zinc/61/78/30/1054617830.db2.gz DCXFJPYLKPTBSJ-HNNXBMFYSA-N 1 0 308.425 4.334 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC2CCC1CC2 ZINC001474595138 1054834716 /nfs/dbraw/zinc/83/47/16/1054834716.db2.gz PTCCPMMPGZHYMK-YHOLWWCESA-N 1 0 316.445 4.332 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)C2CCCC2)c(F)c1 ZINC001474595668 1054836926 /nfs/dbraw/zinc/83/69/26/1054836926.db2.gz ORELVGPNMNMTRE-QGZVFWFLSA-N 1 0 306.381 4.182 20 5 DIBDRO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc3ccc4cccc5ccc1c3c45)C2 ZINC001236018491 1054900205 /nfs/dbraw/zinc/90/02/05/1054900205.db2.gz GVSHFWCONOAQQF-XMSQKQJNSA-N 1 0 312.416 4.117 20 5 DIBDRO Clc1c2ccccc2c(CN2C[C@H]3C[NH2+]C[C@H]32)c2ccccc12 ZINC001236297295 1055050014 /nfs/dbraw/zinc/05/00/14/1055050014.db2.gz UYJXKGRKRVNXGC-BFUOFWGJSA-N 1 0 322.839 4.050 20 5 DIBDRO [NH3+]Cc1ncc(-c2ccc3ccc4cccc5ccc2c3c45)cn1 ZINC001236379122 1055085681 /nfs/dbraw/zinc/08/56/81/1055085681.db2.gz PGVDFMDYDWHWFG-UHFFFAOYSA-N 1 0 309.372 4.500 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000112532956 1055109548 /nfs/dbraw/zinc/10/95/48/1055109548.db2.gz CVSNWBFMMUJSEB-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000765434999 1055387658 /nfs/dbraw/zinc/38/76/58/1055387658.db2.gz ABKUXJAHXIUMGP-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)COc1ccccc1 ZINC000765440751 1055392963 /nfs/dbraw/zinc/39/29/63/1055392963.db2.gz SYCBSVRHSBIFGR-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc(C[NH2+]CC2(Cc3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC001620843708 1055471033 /nfs/dbraw/zinc/47/10/33/1055471033.db2.gz FGFOBOYKKFLISK-UHFFFAOYSA-N 1 0 324.424 4.406 20 5 DIBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001620923530 1055543689 /nfs/dbraw/zinc/54/36/89/1055543689.db2.gz LDJLIFVGGKWZJV-UONOGXRCSA-N 1 0 314.385 4.381 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C1CCC1 ZINC001620939425 1055553429 /nfs/dbraw/zinc/55/34/29/1055553429.db2.gz HRYSULDYJYPOHZ-GXDHUFHOSA-N 1 0 302.418 4.414 20 5 DIBDRO Cc1cccc(C(C)(C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC001620756634 1055927780 /nfs/dbraw/zinc/92/77/80/1055927780.db2.gz CSPQNNRUUNKUOP-UHFFFAOYSA-N 1 0 312.413 4.279 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCC(CC)CC1 ZINC001620778337 1055947119 /nfs/dbraw/zinc/94/71/19/1055947119.db2.gz OENHFUPFTLGMEQ-UHFFFAOYSA-N 1 0 320.433 4.300 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001620540225 1055965277 /nfs/dbraw/zinc/96/52/77/1055965277.db2.gz JZGVIVUYHPZVOO-IBGZPJMESA-N 1 0 310.397 4.414 20 5 DIBDRO C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001621055039 1056012777 /nfs/dbraw/zinc/01/27/77/1056012777.db2.gz FWZZLGJKIJRCMF-QMAVJUDZSA-N 1 0 318.323 4.237 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C1CCC1 ZINC001621341634 1056049835 /nfs/dbraw/zinc/04/98/35/1056049835.db2.gz UMPWRVNFNFAUKJ-CQSZACIVSA-N 1 0 304.434 4.332 20 5 DIBDRO CC[NH+](CC)C[C@H](C)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001611886503 1056204323 /nfs/dbraw/zinc/20/43/23/1056204323.db2.gz OIQLLEVBPDHRPX-VIFPVBQESA-N 1 0 320.220 4.044 20 5 DIBDRO CC[NH+](CC)C[C@@H](C)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001611886502 1056205185 /nfs/dbraw/zinc/20/51/85/1056205185.db2.gz OIQLLEVBPDHRPX-SECBINFHSA-N 1 0 320.220 4.044 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc3ccoc32)cc1 ZINC001620822353 1056270101 /nfs/dbraw/zinc/27/01/01/1056270101.db2.gz BBTXRHLSCPZHPN-UHFFFAOYSA-N 1 0 324.380 4.454 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC1CCCCC1)C1CC1 ZINC001615214609 1056477800 /nfs/dbraw/zinc/47/78/00/1056477800.db2.gz HLXRDQHXBHELHA-UHFFFAOYSA-N 1 0 318.417 4.148 20 5 DIBDRO O=[N+]([O-])c1ccc(OCC[N@H+](CC2CCCCC2)C2CC2)cc1 ZINC001615214414 1056478435 /nfs/dbraw/zinc/47/84/35/1056478435.db2.gz CHVUYRKHTZWXOT-UHFFFAOYSA-N 1 0 318.417 4.018 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC001615302741 1056490066 /nfs/dbraw/zinc/49/00/66/1056490066.db2.gz JOGUBQJUVNWETD-ZBFHGGJFSA-N 1 0 320.433 4.393 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(-c3ccc4c(c3)CC[NH2+]C4)nc12 ZINC001240453872 1056517938 /nfs/dbraw/zinc/51/79/38/1056517938.db2.gz FRJBOFQIXIWOGN-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001615584474 1056544306 /nfs/dbraw/zinc/54/43/06/1056544306.db2.gz SLTGWKKCNHUVHH-MRXNPFEDSA-N 1 0 320.433 4.264 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCCC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC001615700118 1056565600 /nfs/dbraw/zinc/56/56/00/1056565600.db2.gz KEJZKWWAIVYBBQ-UHFFFAOYSA-N 1 0 306.406 4.006 20 5 DIBDRO CCOc1cc(C[NH+]2CCC(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001615835378 1056583850 /nfs/dbraw/zinc/58/38/50/1056583850.db2.gz ZKAZEOAAHFBOAX-UHFFFAOYSA-N 1 0 320.433 4.252 20 5 DIBDRO c1ccc2c(c1)c1ccccc1c1nc(C3=CCC[NH2+]C3)cnc21 ZINC001240652527 1056625016 /nfs/dbraw/zinc/62/50/16/1056625016.db2.gz YTRQMJNUBBAEBM-UHFFFAOYSA-N 1 0 311.388 4.313 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC001616295595 1056630565 /nfs/dbraw/zinc/63/05/65/1056630565.db2.gz QJXAGCLSSPXTHG-HOTGVXAUSA-N 1 0 320.433 4.298 20 5 DIBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001616309671 1056631477 /nfs/dbraw/zinc/63/14/77/1056631477.db2.gz STOCCDHBANMKHD-GFCCVEGCSA-N 1 0 312.360 4.274 20 5 DIBDRO c1ccc2cc3cc(-c4nccc(C5C[NH2+]C5)n4)ccc3cc2c1 ZINC001240683776 1056640791 /nfs/dbraw/zinc/64/07/91/1056640791.db2.gz SOMHOCNRILGABN-UHFFFAOYSA-N 1 0 311.388 4.137 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC001616661814 1056697077 /nfs/dbraw/zinc/69/70/77/1056697077.db2.gz IZBDPEMFTSLDJL-CQSZACIVSA-N 1 0 310.397 4.243 20 5 DIBDRO CO[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001618196466 1056932563 /nfs/dbraw/zinc/93/25/63/1056932563.db2.gz NNYCFJUQIUSOGW-QGZVFWFLSA-N 1 0 320.433 4.015 20 5 DIBDRO CCc1ccccc1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001618196025 1056932689 /nfs/dbraw/zinc/93/26/89/1056932689.db2.gz HKBLSFIXKJGENY-UHFFFAOYSA-N 1 0 312.413 4.225 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000315822714 1056973214 /nfs/dbraw/zinc/97/32/14/1056973214.db2.gz XOZRBPDCGALTNY-QGZVFWFLSA-N 1 0 302.349 4.017 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000124129674 1057035135 /nfs/dbraw/zinc/03/51/35/1057035135.db2.gz ASIJIJWSCJGRBF-YPMHNXCESA-N 1 0 304.415 4.247 20 5 DIBDRO CC(C)[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555299556 1057044703 /nfs/dbraw/zinc/04/47/03/1057044703.db2.gz MMXYGMOBCHJZSL-JTQLQIEISA-N 1 0 304.312 4.090 20 5 DIBDRO Cc1csc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000162357401 1057127352 /nfs/dbraw/zinc/12/73/52/1057127352.db2.gz ZEELACCLNHALPY-RYUDHWBXSA-N 1 0 305.403 4.080 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000246488099 1057372333 /nfs/dbraw/zinc/37/23/33/1057372333.db2.gz RRJKFEHWGZXMGQ-SZMVWBNQSA-N 1 0 320.433 4.087 20 5 DIBDRO CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000246488094 1057372550 /nfs/dbraw/zinc/37/25/50/1057372550.db2.gz RRJKFEHWGZXMGQ-NJAFHUGGSA-N 1 0 320.433 4.087 20 5 DIBDRO Cc1ccc(C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000611254251 1057586394 /nfs/dbraw/zinc/58/63/94/1057586394.db2.gz GFIGFYOCGHULJD-GQCTYLIASA-N 1 0 312.369 4.174 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)c1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000611299970 1057590484 /nfs/dbraw/zinc/59/04/84/1057590484.db2.gz UGRCVQHPUHWAHH-KBXCAEBGSA-N 1 0 313.401 4.490 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000611336108 1057591272 /nfs/dbraw/zinc/59/12/72/1057591272.db2.gz KARIDAXUDTUQKC-DZGCQCFKSA-N 1 0 313.401 4.327 20 5 DIBDRO Cc1c(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000611554967 1057606361 /nfs/dbraw/zinc/60/63/61/1057606361.db2.gz DOUNWMPQPOGZHC-GWCFXTLKSA-N 1 0 316.323 4.066 20 5 DIBDRO C[C@]1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000730933646 1057728999 /nfs/dbraw/zinc/72/89/99/1057728999.db2.gz KVHVKYDMTGCWQV-SFHVURJKSA-N 1 0 314.360 4.075 20 5 DIBDRO Cc1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000733326612 1057812558 /nfs/dbraw/zinc/81/25/58/1057812558.db2.gz OYGDCKGCCWDSRC-UHFFFAOYSA-N 1 0 310.397 4.113 20 5 DIBDRO C[NH2+]Cc1cccc(-c2cc3cccnc3c3ncccc23)c1F ZINC001244861059 1058059170 /nfs/dbraw/zinc/05/91/70/1058059170.db2.gz KROHVNRSMZMLSS-UHFFFAOYSA-N 1 0 317.367 4.309 20 5 DIBDRO CCC(CC)[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC001559061874 1058958222 /nfs/dbraw/zinc/95/82/22/1058958222.db2.gz CAUHFXDDLZCKJL-HNNXBMFYSA-N 1 0 313.829 4.027 20 5 DIBDRO CCC(CC)[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC001559061875 1058958352 /nfs/dbraw/zinc/95/83/52/1058958352.db2.gz CAUHFXDDLZCKJL-OAHLLOKOSA-N 1 0 313.829 4.027 20 5 DIBDRO Cc1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC001559177769 1059062288 /nfs/dbraw/zinc/06/22/88/1059062288.db2.gz KJBLQTOLVADNEO-KRWDZBQOSA-N 1 0 317.433 4.112 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@H]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC001559488431 1059261790 /nfs/dbraw/zinc/26/17/90/1059261790.db2.gz HXNVEOKUPUGDKI-SFHVURJKSA-N 1 0 302.418 4.448 20 5 DIBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC001559496871 1059278817 /nfs/dbraw/zinc/27/88/17/1059278817.db2.gz YQOQKWQGSWLMQE-UHFFFAOYSA-N 1 0 320.433 4.266 20 5 DIBDRO CC(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC001559506175 1059298508 /nfs/dbraw/zinc/29/85/08/1059298508.db2.gz WGVKYMYACFIDPT-UHFFFAOYSA-N 1 0 316.376 4.392 20 5 DIBDRO Cc1ccc(C(C)(C)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001559564656 1059385663 /nfs/dbraw/zinc/38/56/63/1059385663.db2.gz BLVQOJUMHDNFON-UHFFFAOYSA-N 1 0 312.413 4.313 20 5 DIBDRO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001559583777 1059416606 /nfs/dbraw/zinc/41/66/06/1059416606.db2.gz QIZVZUUPRDNSRL-LLVKDONJSA-N 1 0 324.833 4.373 20 5 DIBDRO CCCCC[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559650436 1059478860 /nfs/dbraw/zinc/47/88/60/1059478860.db2.gz DZXPDQGOFMZPSW-INIZCTEOSA-N 1 0 320.433 4.408 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC001559772499 1059609654 /nfs/dbraw/zinc/60/96/54/1059609654.db2.gz BORUKJNTNLQIAF-PKOBYXMFSA-N 1 0 324.424 4.486 20 5 DIBDRO CCOc1cc(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001559775867 1059612986 /nfs/dbraw/zinc/61/29/86/1059612986.db2.gz OQGGPQUWENEUMB-HIFRSBDPSA-N 1 0 320.433 4.298 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC001559849298 1059676825 /nfs/dbraw/zinc/67/68/25/1059676825.db2.gz QJCFEGSWPRSKLB-QGZVFWFLSA-N 1 0 302.418 4.355 20 5 DIBDRO CC(C)([NH2+]CC[C@@H]1CCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC001559869074 1059688604 /nfs/dbraw/zinc/68/86/04/1059688604.db2.gz JDVAWXPEVNGYMN-LBPRGKRZSA-N 1 0 312.360 4.245 20 5 DIBDRO CCOc1cc(C[NH2+][C@]2(C)CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001559892924 1059711514 /nfs/dbraw/zinc/71/15/14/1059711514.db2.gz CYZTWNCUCUBJDF-SUMWQHHRSA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1ccc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC001560029420 1059839417 /nfs/dbraw/zinc/83/94/17/1059839417.db2.gz RWCTVMYTLLZQNM-IBGZPJMESA-N 1 0 310.397 4.318 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC001560132629 1059935420 /nfs/dbraw/zinc/93/54/20/1059935420.db2.gz BKHAYIQFDOVVOK-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001560189816 1059977117 /nfs/dbraw/zinc/97/71/17/1059977117.db2.gz POFZEOYJGARVSL-KRWDZBQOSA-N 1 0 316.426 4.254 20 5 DIBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc2ccccc21 ZINC001560282751 1060061884 /nfs/dbraw/zinc/06/18/84/1060061884.db2.gz DEDRSZMXNSVPOZ-UHFFFAOYSA-N 1 0 322.364 4.046 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1 ZINC001560320173 1060106931 /nfs/dbraw/zinc/10/69/31/1060106931.db2.gz PSHDORFYTCOCPF-UHFFFAOYSA-N 1 0 324.302 4.004 20 5 DIBDRO CC1(C)C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001560326720 1060111517 /nfs/dbraw/zinc/11/15/17/1060111517.db2.gz IYICTLMASMBRQG-LBPRGKRZSA-N 1 0 316.426 4.459 20 5 DIBDRO CCc1ccc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001560344396 1060130258 /nfs/dbraw/zinc/13/02/58/1060130258.db2.gz WIESRMRJWMHHJB-UHFFFAOYSA-N 1 0 312.413 4.106 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC001560359202 1060144709 /nfs/dbraw/zinc/14/47/09/1060144709.db2.gz FEKGEMHQJCCZNQ-SJORKVTESA-N 1 0 318.417 4.052 20 5 DIBDRO Cc1cc(C)[nH+]c(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC001560405554 1060190394 /nfs/dbraw/zinc/19/03/94/1060190394.db2.gz GUESBKZJMNCXRH-UHFFFAOYSA-N 1 0 323.352 4.479 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC001560541426 1060346231 /nfs/dbraw/zinc/34/62/31/1060346231.db2.gz VZRWXTWNXRIYJB-FQEVSTJZSA-N 1 0 324.424 4.361 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001560570825 1060381576 /nfs/dbraw/zinc/38/15/76/1060381576.db2.gz WWGSUHMTRNDDQC-NRMKIYEFSA-N 1 0 324.371 4.413 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCc2ccccc21)C1CC1 ZINC001560639137 1060457614 /nfs/dbraw/zinc/45/76/14/1060457614.db2.gz RHFLWOXEDHXVPK-MRXNPFEDSA-N 1 0 322.408 4.289 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC001560706062 1060564318 /nfs/dbraw/zinc/56/43/18/1060564318.db2.gz ZWAHRELBURTZET-KBPBESRZSA-N 1 0 308.422 4.154 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]2CCCC[C@@H]21 ZINC001560705724 1060564696 /nfs/dbraw/zinc/56/46/96/1060564696.db2.gz PVYZBUKIOWBWRF-UXIGCNINSA-N 1 0 308.809 4.259 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC001560718578 1060578657 /nfs/dbraw/zinc/57/86/57/1060578657.db2.gz XWCDWWSLYAXPGW-CHWSQXEVSA-N 1 0 308.809 4.260 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(Cl)c1 ZINC001560718579 1060579429 /nfs/dbraw/zinc/57/94/29/1060579429.db2.gz XWCDWWSLYAXPGW-OLZOCXBDSA-N 1 0 308.809 4.260 20 5 DIBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001560776477 1060640954 /nfs/dbraw/zinc/64/09/54/1060640954.db2.gz KYGDRUAAHSJEMA-GWCFXTLKSA-N 1 0 316.323 4.234 20 5 DIBDRO CC[C@@H]1CCC[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001560825073 1060684413 /nfs/dbraw/zinc/68/44/13/1060684413.db2.gz AJRCKQSHLDLMPK-HZPDHXFCSA-N 1 0 304.434 4.286 20 5 DIBDRO CC(C)(c1ccccc1)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560830965 1060688664 /nfs/dbraw/zinc/68/86/64/1060688664.db2.gz DGGHLIPTTINSGO-UHFFFAOYSA-N 1 0 324.424 4.237 20 5 DIBDRO CN1CC[NH+](CCCc2ccc3cc4ccccc4cc3c2)CC1 ZINC001250229560 1060707733 /nfs/dbraw/zinc/70/77/33/1060707733.db2.gz XGYRJDGWVNRFPS-UHFFFAOYSA-N 1 0 318.464 4.173 20 5 DIBDRO CC(C)[C@@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC001560878056 1060737989 /nfs/dbraw/zinc/73/79/89/1060737989.db2.gz KZMJTLACZAEZHB-SFHVURJKSA-N 1 0 316.445 4.428 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC001560961370 1060827993 /nfs/dbraw/zinc/82/79/93/1060827993.db2.gz NMYVIAYEFZZSJW-XLNGHYISSA-N 1 0 320.408 4.176 20 5 DIBDRO Cc1c(C[NH+]2CC([C@@H]3CCC[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC001560977761 1060842251 /nfs/dbraw/zinc/84/22/51/1060842251.db2.gz JSPLBKBJOZAVBN-DZGCQCFKSA-N 1 0 302.418 4.161 20 5 DIBDRO CCCCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC001560995447 1060857044 /nfs/dbraw/zinc/85/70/44/1060857044.db2.gz MNYBZKGAZHHRMF-XYPHTWIQSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001561005315 1060862917 /nfs/dbraw/zinc/86/29/17/1060862917.db2.gz MHJGCVSTOSGPKS-KBPBESRZSA-N 1 0 316.376 4.406 20 5 DIBDRO Cc1cc(C)cc(CC[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001561027170 1060881650 /nfs/dbraw/zinc/88/16/50/1060881650.db2.gz XNFCYDOMWJOTPC-MRXNPFEDSA-N 1 0 312.413 4.147 20 5 DIBDRO C[C@H](C[NH2+]C1CC(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001561026998 1060882992 /nfs/dbraw/zinc/88/29/92/1060882992.db2.gz RYHLQEIEORWCAJ-ODIFPOPNSA-N 1 0 310.397 4.234 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001473274350 1061049906 /nfs/dbraw/zinc/04/99/06/1061049906.db2.gz VTWRYTMEHDIRPN-SJORKVTESA-N 1 0 320.433 4.168 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@@H]1C(C)C ZINC001473319603 1061085637 /nfs/dbraw/zinc/08/56/37/1061085637.db2.gz XASWVXICRBGEKN-MRXNPFEDSA-N 1 0 306.406 4.004 20 5 DIBDRO CCc1ccccc1CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001473334087 1061095783 /nfs/dbraw/zinc/09/57/83/1061095783.db2.gz XWNRDSDUZICVRD-LJQANCHMSA-N 1 0 312.413 4.441 20 5 DIBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473353558 1061109350 /nfs/dbraw/zinc/10/93/50/1061109350.db2.gz AHTWGKNBSQLCJX-FQEVSTJZSA-N 1 0 324.424 4.235 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001462396917 1061148657 /nfs/dbraw/zinc/14/86/57/1061148657.db2.gz RYGHBPYQSAQLOD-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001473538095 1061230613 /nfs/dbraw/zinc/23/06/13/1061230613.db2.gz FACZNGBCUJMDND-ZDUSSCGKSA-N 1 0 316.376 4.105 20 5 DIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001473539501 1061232857 /nfs/dbraw/zinc/23/28/57/1061232857.db2.gz PYHMIZLEEXNUMA-MOPGFXCFSA-N 1 0 310.397 4.363 20 5 DIBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001473565483 1061252012 /nfs/dbraw/zinc/25/20/12/1061252012.db2.gz TUCNQYMMLJAPBZ-CJNGLKHVSA-N 1 0 308.397 4.381 20 5 DIBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001473565482 1061252747 /nfs/dbraw/zinc/25/27/47/1061252747.db2.gz TUCNQYMMLJAPBZ-BBRMVZONSA-N 1 0 308.397 4.381 20 5 DIBDRO CC1(C)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC(C)(C)C1 ZINC001473632259 1061302842 /nfs/dbraw/zinc/30/28/42/1061302842.db2.gz VANYFHIKXPJNQN-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001462632414 1061306491 /nfs/dbraw/zinc/30/64/91/1061306491.db2.gz VXOCUQJWIKGMOW-UONOGXRCSA-N 1 0 316.376 4.058 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC(F)(F)C2)c(Cl)c1 ZINC001462644903 1061314407 /nfs/dbraw/zinc/31/44/07/1061314407.db2.gz RALNYITWNRCGSU-SNVBAGLBSA-N 1 0 318.751 4.163 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@]12C[C@H]1CCCC2 ZINC001473711409 1061361111 /nfs/dbraw/zinc/36/11/11/1061361111.db2.gz QIKJBBBVTWGYDD-GHJWDPDVSA-N 1 0 308.809 4.307 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001473784456 1061408504 /nfs/dbraw/zinc/40/85/04/1061408504.db2.gz XMUXXHMHLOXYHT-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001473783739 1061409176 /nfs/dbraw/zinc/40/91/76/1061409176.db2.gz KNHWSTCVZMSAQY-ZIAGYGMSSA-N 1 0 310.397 4.495 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001473783738 1061409293 /nfs/dbraw/zinc/40/92/93/1061409293.db2.gz KNHWSTCVZMSAQY-KGLIPLIRSA-N 1 0 310.397 4.495 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC001473843920 1061432426 /nfs/dbraw/zinc/43/24/26/1061432426.db2.gz OYXNCVCVGLNMDH-SCEWNMGZSA-N 1 0 322.408 4.315 20 5 DIBDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001473845026 1061432462 /nfs/dbraw/zinc/43/24/62/1061432462.db2.gz DWQVVAHHQMTHJY-HNNXBMFYSA-N 1 0 316.426 4.424 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC1CCCC1 ZINC001473909041 1061455348 /nfs/dbraw/zinc/45/53/48/1061455348.db2.gz UBNXXLAUDZFYIO-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001473948040 1061489874 /nfs/dbraw/zinc/48/98/74/1061489874.db2.gz HIEGQBPPCGSWBT-UHFFFAOYSA-N 1 0 302.374 4.084 20 5 DIBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC001458082564 1061562801 /nfs/dbraw/zinc/56/28/01/1061562801.db2.gz IEYIXXVTUCGLCE-SFHVURJKSA-N 1 0 319.449 4.216 20 5 DIBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001474178151 1061723756 /nfs/dbraw/zinc/72/37/56/1061723756.db2.gz BLRHYOLKVWTKED-SJLPKXTDSA-N 1 0 320.433 4.156 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC001474177852 1061724185 /nfs/dbraw/zinc/72/41/85/1061724185.db2.gz ZUFQSOHUDAGGJW-HZPDHXFCSA-N 1 0 320.433 4.298 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC001474215682 1061772765 /nfs/dbraw/zinc/77/27/65/1061772765.db2.gz GJPSRUNVBVXNOT-GOSISDBHSA-N 1 0 314.385 4.379 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3F)o2)c1 ZINC001474228456 1061790879 /nfs/dbraw/zinc/79/08/79/1061790879.db2.gz CVLQYDVYSPYHKP-JKSUJKDBSA-N 1 0 318.348 4.225 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC001474240143 1061801399 /nfs/dbraw/zinc/80/13/99/1061801399.db2.gz UFNNSJJVUWCVOU-HNNXBMFYSA-N 1 0 312.413 4.262 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H]1C=CCC1 ZINC001474254984 1061822364 /nfs/dbraw/zinc/82/23/64/1061822364.db2.gz UOQYKSKUTBKNHY-RTYFKUQISA-N 1 0 300.402 4.334 20 5 DIBDRO CC[NH+](CC)C[C@H](O)CNc1cccc2cc3ccccc3cc21 ZINC001253200211 1061827522 /nfs/dbraw/zinc/82/75/22/1061827522.db2.gz VZWMTFFATKUQGQ-LJQANCHMSA-N 1 0 322.452 4.108 20 5 DIBDRO CC[NH+](CC)C[C@H](O)CNc1c2ccccc2cc2ccccc21 ZINC001253201578 1061828612 /nfs/dbraw/zinc/82/86/12/1061828612.db2.gz RRAZVFLMBCLSSI-GOSISDBHSA-N 1 0 322.452 4.108 20 5 DIBDRO C[C@H](C[NH2+]C/C=C/c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001474283292 1061852688 /nfs/dbraw/zinc/85/26/88/1061852688.db2.gz NPIVCIHGKCSDAP-HZRUHFOJSA-N 1 0 314.360 4.140 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCc3ccccc32)C2CC2)cc1 ZINC001474318194 1061892337 /nfs/dbraw/zinc/89/23/37/1061892337.db2.gz AZZVIRRHCLDQCQ-KRWDZBQOSA-N 1 0 322.408 4.289 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH+]2CCCC2)o1 ZINC001253957087 1062004819 /nfs/dbraw/zinc/00/48/19/1062004819.db2.gz UYVAQNWGGSAYAW-UHFFFAOYSA-N 1 0 306.749 4.104 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCc2ccccc2CC1 ZINC001474375043 1062017839 /nfs/dbraw/zinc/01/78/39/1062017839.db2.gz LGGSOGXAWCINGI-DTQAZKPQSA-N 1 0 322.408 4.099 20 5 DIBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC001474383084 1062030715 /nfs/dbraw/zinc/03/07/15/1062030715.db2.gz LNNBARYROILCGS-JLSDUUJJSA-N 1 0 302.418 4.038 20 5 DIBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC001474383086 1062032291 /nfs/dbraw/zinc/03/22/91/1062032291.db2.gz LNNBARYROILCGS-ZTFGCOKTSA-N 1 0 302.418 4.038 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2ccoc21)c1ccc([N+](=O)[O-])cc1 ZINC001474424917 1062097924 /nfs/dbraw/zinc/09/79/24/1062097924.db2.gz TVQKZXXRTQVEGS-UHFFFAOYSA-N 1 0 310.353 4.366 20 5 DIBDRO CC(C)CN(Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001459385333 1062121015 /nfs/dbraw/zinc/12/10/15/1062121015.db2.gz YKSYBCSMRXPBMS-UHFFFAOYSA-N 1 0 316.376 4.392 20 5 DIBDRO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001459421244 1062138546 /nfs/dbraw/zinc/13/85/46/1062138546.db2.gz BGOOSIANNGXDKL-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254533342 1062163091 /nfs/dbraw/zinc/16/30/91/1062163091.db2.gz KBUXCZQNTOZABI-CVEARBPZSA-N 1 0 312.413 4.137 20 5 DIBDRO Cc1ccc(CCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC001254531673 1062164141 /nfs/dbraw/zinc/16/41/41/1062164141.db2.gz GNQIDEKVCGBJQC-ZDUSSCGKSA-N 1 0 318.442 4.118 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(Cl)c1F ZINC001254536828 1062164497 /nfs/dbraw/zinc/16/44/97/1062164497.db2.gz UHUPOVDTGIRHAQ-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO CSc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254536512 1062164808 /nfs/dbraw/zinc/16/48/08/1062164808.db2.gz PQVUTKOIWDUPBH-CYBMUJFWSA-N 1 0 316.426 4.038 20 5 DIBDRO Cc1cc(F)cc(C)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537538 1062165402 /nfs/dbraw/zinc/16/54/02/1062165402.db2.gz FLXCYZMCNDYMGD-CQSZACIVSA-N 1 0 316.376 4.072 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1ccccc1)C1CC1 ZINC001254534251 1062165474 /nfs/dbraw/zinc/16/54/74/1062165474.db2.gz UZSGUUSTVMSNCQ-KUHUBIRLSA-N 1 0 310.397 4.267 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Cl)ccc1F ZINC001254537310 1062165742 /nfs/dbraw/zinc/16/57/42/1062165742.db2.gz ZLVFXYBOZBWTTO-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC001254540734 1062166893 /nfs/dbraw/zinc/16/68/93/1062166893.db2.gz VGOSSUYVQSSTSL-GUYCJALGSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1coc2ccccc12 ZINC001254540474 1062168327 /nfs/dbraw/zinc/16/83/27/1062168327.db2.gz UDGNLODJVQJITK-AWEZNQCLSA-N 1 0 324.380 4.104 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1c(F)cccc1F ZINC001254542891 1062170256 /nfs/dbraw/zinc/17/02/56/1062170256.db2.gz PRGOEDOJVSGRCC-NEPJUHHUSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(Cc2ccccc2)CC1 ZINC001254546392 1062170472 /nfs/dbraw/zinc/17/04/72/1062170472.db2.gz SBQURSPDOVIABJ-MRXNPFEDSA-N 1 0 324.424 4.138 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CC1CCC1 ZINC001254547786 1062170805 /nfs/dbraw/zinc/17/08/05/1062170805.db2.gz WRNWRTJALQUHHS-CQSZACIVSA-N 1 0 304.434 4.332 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001254550301 1062172524 /nfs/dbraw/zinc/17/25/24/1062172524.db2.gz HKFXDTUENJELLF-YJBOKZPZSA-N 1 0 310.397 4.015 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ccoc2c1 ZINC001254549410 1062174025 /nfs/dbraw/zinc/17/40/25/1062174025.db2.gz VBZAFEPEZJMACF-CYBMUJFWSA-N 1 0 310.353 4.062 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001254549672 1062174039 /nfs/dbraw/zinc/17/40/39/1062174039.db2.gz WJFJXEZWZMNRJU-GDBMZVCRSA-N 1 0 312.413 4.493 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC001254548349 1062174390 /nfs/dbraw/zinc/17/43/90/1062174390.db2.gz HLFSHYSVSFDYDQ-KGLIPLIRSA-N 1 0 316.376 4.324 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001459512241 1062175853 /nfs/dbraw/zinc/17/58/53/1062175853.db2.gz FOGRVPBCFBZLGK-UXIGCNINSA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001254558458 1062176971 /nfs/dbraw/zinc/17/69/71/1062176971.db2.gz AWECOGINYWJEST-LPHOPBHVSA-N 1 0 324.424 4.405 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cccs1 ZINC001254562612 1062178694 /nfs/dbraw/zinc/17/86/94/1062178694.db2.gz OCHTVAIYQBFSKY-BBRMVZONSA-N 1 0 316.426 4.424 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Cl)cc1 ZINC001254563114 1062178953 /nfs/dbraw/zinc/17/89/53/1062178953.db2.gz UGCYGFJQXPGVJH-ZDUSSCGKSA-N 1 0 318.804 4.311 20 5 DIBDRO CC[N@H+](Cc1ccccc1F)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560924 1062179330 /nfs/dbraw/zinc/17/93/30/1062179330.db2.gz ZSOFYOFSWKQFDF-AWEZNQCLSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccccc2)CC1 ZINC001254559165 1062180819 /nfs/dbraw/zinc/18/08/19/1062180819.db2.gz JBZNBARVKYKYDU-INIZCTEOSA-N 1 0 322.408 4.315 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001254564237 1062180928 /nfs/dbraw/zinc/18/09/28/1062180928.db2.gz JTMXFHPVUKBITD-UXLLHSPISA-N 1 0 302.418 4.180 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCC3(CCCC3)CC1)C2 ZINC001254568373 1062182589 /nfs/dbraw/zinc/18/25/89/1062182589.db2.gz TXAIFOWZHAGRTL-QGZVFWFLSA-N 1 0 314.429 4.155 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254573763 1062185817 /nfs/dbraw/zinc/18/58/17/1062185817.db2.gz BYQJEDKJESSGHP-IEBWSBKVSA-N 1 0 310.397 4.193 20 5 DIBDRO CCC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254573766 1062186580 /nfs/dbraw/zinc/18/65/80/1062186580.db2.gz BYQJEDKJESSGHP-MJGOQNOKSA-N 1 0 310.397 4.193 20 5 DIBDRO CC(C)[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254576812 1062187020 /nfs/dbraw/zinc/18/70/20/1062187020.db2.gz ZUZXNNACVUWKMX-PKOBYXMFSA-N 1 0 310.397 4.049 20 5 DIBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC001254571736 1062187172 /nfs/dbraw/zinc/18/71/72/1062187172.db2.gz BBLCKHVHNBMQTJ-BZNIZROVSA-N 1 0 316.788 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001254575463 1062187323 /nfs/dbraw/zinc/18/73/23/1062187323.db2.gz QUYLQWBTBJJVHQ-VLDUQVBPSA-N 1 0 314.429 4.011 20 5 DIBDRO CC(C)c1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254584202 1062188893 /nfs/dbraw/zinc/18/88/93/1062188893.db2.gz FZEDHNXVVYPECA-IBGZPJMESA-N 1 0 324.424 4.018 20 5 DIBDRO CCCC1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254583589 1062189982 /nfs/dbraw/zinc/18/99/82/1062189982.db2.gz ZSUKELXYQAGPHL-QWFMPGPPSA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C2 ZINC001254579890 1062190075 /nfs/dbraw/zinc/19/00/75/1062190075.db2.gz WUMWDKPNAYYKTC-AZUAARDMSA-N 1 0 322.408 4.193 20 5 DIBDRO CC[C@H]1c2ccccc2CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605510 1062195554 /nfs/dbraw/zinc/19/55/54/1062195554.db2.gz AVKFATPBKKXUCO-ICSRJNTNSA-N 1 0 322.408 4.071 20 5 DIBDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605509 1062196281 /nfs/dbraw/zinc/19/62/81/1062196281.db2.gz AVKFATPBKKXUCO-AZUAARDMSA-N 1 0 322.408 4.071 20 5 DIBDRO Cc1ccc([C@H]2CCC[N@@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254598636 1062197011 /nfs/dbraw/zinc/19/70/11/1062197011.db2.gz ITKLQHDZPQMYHS-VQTJNVASSA-N 1 0 322.408 4.208 20 5 DIBDRO CC[C@H]1CCCC[C@@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001474516710 1062201062 /nfs/dbraw/zinc/20/10/62/1062201062.db2.gz LEDVSEBXIAUQIL-DOTOQJQBSA-N 1 0 304.434 4.286 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCCCC2 ZINC001474567633 1062270489 /nfs/dbraw/zinc/27/04/89/1062270489.db2.gz OBPWHTPXEJZCRA-GDNBJRDFSA-N 1 0 300.402 4.264 20 5 DIBDRO CC(C)CCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001459672428 1062292388 /nfs/dbraw/zinc/29/23/88/1062292388.db2.gz UPTFDFTZAYPGOH-UHFFFAOYSA-N 1 0 304.434 4.286 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C2CCC2)CC1 ZINC001474621586 1062344600 /nfs/dbraw/zinc/34/46/00/1062344600.db2.gz ICJXCMLZSRKRTB-UHFFFAOYSA-N 1 0 302.418 4.224 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001459800683 1062411630 /nfs/dbraw/zinc/41/16/30/1062411630.db2.gz PBIPUVORMNPUIV-HUUCEWRRSA-N 1 0 320.433 4.168 20 5 DIBDRO C[C@@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001474695727 1062424080 /nfs/dbraw/zinc/42/40/80/1062424080.db2.gz SBFLIXRUVZPCKX-LSBZLQRGSA-N 1 0 310.397 4.439 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC001459824276 1062428733 /nfs/dbraw/zinc/42/87/33/1062428733.db2.gz JKOQSQSCSSFGRD-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC001459836650 1062436437 /nfs/dbraw/zinc/43/64/37/1062436437.db2.gz OQUWEXSVPNYTOC-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001459862324 1062456891 /nfs/dbraw/zinc/45/68/91/1062456891.db2.gz ALHHWRRFPXSKRN-GDBMZVCRSA-N 1 0 320.433 4.229 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3cc[nH]c3c2)C2CC2)cc1 ZINC001459878328 1062466086 /nfs/dbraw/zinc/46/60/86/1062466086.db2.gz APEQBRSOFLBGDL-UHFFFAOYSA-N 1 0 321.380 4.241 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460076077 1062618639 /nfs/dbraw/zinc/61/86/39/1062618639.db2.gz SBTGCDUAGCCSGN-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC001460156515 1062669059 /nfs/dbraw/zinc/66/90/59/1062669059.db2.gz DKYSENFGFHGIRJ-CQSZACIVSA-N 1 0 310.397 4.366 20 5 DIBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC001460207569 1062699075 /nfs/dbraw/zinc/69/90/75/1062699075.db2.gz VDSORYWJDUPAOF-MRXNPFEDSA-N 1 0 316.426 4.282 20 5 DIBDRO Cc1ccc(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001460267411 1062741182 /nfs/dbraw/zinc/74/11/82/1062741182.db2.gz WHZJPHPCSZTLQG-UHFFFAOYSA-N 1 0 316.376 4.153 20 5 DIBDRO CCOc1cc(C[N@@H+]2CC[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001460269338 1062747366 /nfs/dbraw/zinc/74/73/66/1062747366.db2.gz CSADAMHBOZKATL-INIZCTEOSA-N 1 0 318.417 4.006 20 5 DIBDRO C[C@H](C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC001460597047 1062927330 /nfs/dbraw/zinc/92/73/30/1062927330.db2.gz GSOJDUUKLUPTPJ-CYBMUJFWSA-N 1 0 308.397 4.382 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC001461162760 1063301199 /nfs/dbraw/zinc/30/11/99/1063301199.db2.gz RELMLQQLXVIIJJ-CYBMUJFWSA-N 1 0 316.376 4.244 20 5 DIBDRO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001472895321 1063303860 /nfs/dbraw/zinc/30/38/60/1063303860.db2.gz QWYLXDMYMGZFPX-UHFFFAOYSA-N 1 0 323.824 4.067 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC001461172754 1063307963 /nfs/dbraw/zinc/30/79/63/1063307963.db2.gz YENVPDRDBARSDB-CYBMUJFWSA-N 1 0 316.376 4.244 20 5 DIBDRO CC(C)[N@@H+]1CCCC[C@@H]1CSc1ccc([N+](=O)[O-])cc1F ZINC001473014013 1063356653 /nfs/dbraw/zinc/35/66/53/1063356653.db2.gz LSQUGUVGSYAIAQ-CYBMUJFWSA-N 1 0 312.410 4.089 20 5 DIBDRO Cc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001461262466 1063375174 /nfs/dbraw/zinc/37/51/74/1063375174.db2.gz GCBCOUHOVVWJAF-UHFFFAOYSA-N 1 0 316.376 4.155 20 5 DIBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473174011 1063480305 /nfs/dbraw/zinc/48/03/05/1063480305.db2.gz TVZMPVSSHBFVOX-IBGZPJMESA-N 1 0 324.424 4.419 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC001461424126 1063490984 /nfs/dbraw/zinc/49/09/84/1063490984.db2.gz ULFNRUANODQUDX-GFCCVEGCSA-N 1 0 319.430 4.068 20 5 DIBDRO Cc1cc(C)c(/C=C/C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1C ZINC001461459769 1063520470 /nfs/dbraw/zinc/52/04/70/1063520470.db2.gz DTQSIWPGRNAVER-SOFGYWHQSA-N 1 0 324.424 4.366 20 5 DIBDRO CC[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CC(F)(F)F ZINC001461577055 1063588878 /nfs/dbraw/zinc/58/88/78/1063588878.db2.gz BDSHEZXRDCSOTA-LBPRGKRZSA-N 1 0 318.339 4.280 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CCC2)C2CCCCC2)c1 ZINC001461594347 1063601897 /nfs/dbraw/zinc/60/18/97/1063601897.db2.gz JMUJNRNPSJMZMB-SFHVURJKSA-N 1 0 302.418 4.433 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC2CCC1CC2 ZINC001461592474 1063602300 /nfs/dbraw/zinc/60/23/00/1063602300.db2.gz OMAJFCWXHXFIGX-NGKIPPFCSA-N 1 0 314.429 4.414 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001461797713 1063722488 /nfs/dbraw/zinc/72/24/88/1063722488.db2.gz LGDWQZBNHMKJNM-GOSISDBHSA-N 1 0 310.397 4.379 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC001461809758 1063727988 /nfs/dbraw/zinc/72/79/88/1063727988.db2.gz GQOSZFMHGAECGF-KADHNRKRSA-N 1 0 324.371 4.413 20 5 DIBDRO C[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC001461892069 1063779404 /nfs/dbraw/zinc/77/94/04/1063779404.db2.gz LDMZIQMEYSECDE-LBPRGKRZSA-N 1 0 320.339 4.109 20 5 DIBDRO Cc1c(C[N@@H+]2CC(C)(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001461914170 1063794126 /nfs/dbraw/zinc/79/41/26/1063794126.db2.gz RCZDBSGTALTXDQ-GOSISDBHSA-N 1 0 310.397 4.486 20 5 DIBDRO CC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001461956490 1063838723 /nfs/dbraw/zinc/83/87/23/1063838723.db2.gz RYOIOXGOMDBPBM-UHFFFAOYSA-N 1 0 324.833 4.374 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001462015460 1063877974 /nfs/dbraw/zinc/87/79/74/1063877974.db2.gz UOMPTOLEWFQZFA-KGLIPLIRSA-N 1 0 310.825 4.205 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001462015458 1063878360 /nfs/dbraw/zinc/87/83/60/1063878360.db2.gz UOMPTOLEWFQZFA-KBPBESRZSA-N 1 0 310.825 4.205 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]C2CC3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC001261603542 1063940383 /nfs/dbraw/zinc/94/03/83/1063940383.db2.gz RVHXSUYKUBSLJI-XHYCCTMSSA-N 1 0 322.355 4.095 20 5 DIBDRO O=[N+]([O-])c1sccc1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001307072387 1065248952 /nfs/dbraw/zinc/24/89/52/1065248952.db2.gz JOAAMXPKXCWCBY-UHFFFAOYSA-N 1 0 317.414 4.038 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001307111075 1065267541 /nfs/dbraw/zinc/26/75/41/1065267541.db2.gz IZCGWVOCMQTBSZ-RDTXWAMCSA-N 1 0 313.401 4.007 20 5 DIBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001307556576 1065480424 /nfs/dbraw/zinc/48/04/24/1065480424.db2.gz DPRPZQBQBRNCHX-INIZCTEOSA-N 1 0 320.433 4.264 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001307615491 1065518155 /nfs/dbraw/zinc/51/81/55/1065518155.db2.gz BBHBQHFMTAOHJT-ZBFHGGJFSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC001307615489 1065518732 /nfs/dbraw/zinc/51/87/32/1065518732.db2.gz BBHBQHFMTAOHJT-GOEBONIOSA-N 1 0 318.417 4.046 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC001307633642 1065531530 /nfs/dbraw/zinc/53/15/30/1065531530.db2.gz HPJXZOLLHRZDMO-KRWDZBQOSA-N 1 0 302.349 4.283 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C)c(F)c1 ZINC001307642766 1065536959 /nfs/dbraw/zinc/53/69/59/1065536959.db2.gz KABWVOQEIZHPLV-INIZCTEOSA-N 1 0 320.339 4.422 20 5 DIBDRO CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H]1C ZINC001307703644 1065573516 /nfs/dbraw/zinc/57/35/16/1065573516.db2.gz WRKMWQOYPSDKNY-UONOGXRCSA-N 1 0 306.406 4.002 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001307743453 1065600646 /nfs/dbraw/zinc/60/06/46/1065600646.db2.gz HRJDOSOFWOIXHL-GFCCVEGCSA-N 1 0 320.339 4.374 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]1(C)CC(C)C ZINC001307786763 1065618787 /nfs/dbraw/zinc/61/87/87/1065618787.db2.gz IJMFTWMCIMCXCD-QGZVFWFLSA-N 1 0 306.406 4.004 20 5 DIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC001307791374 1065623797 /nfs/dbraw/zinc/62/37/97/1065623797.db2.gz GRJNBBCQKAALGT-QGZVFWFLSA-N 1 0 318.417 4.066 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001307800782 1065628164 /nfs/dbraw/zinc/62/81/64/1065628164.db2.gz GDKNLTIXWQDOIQ-SPYBWZPUSA-N 1 0 310.397 4.361 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001307958076 1065699094 /nfs/dbraw/zinc/69/90/94/1065699094.db2.gz LIHKVBIXXVBJAH-MRXNPFEDSA-N 1 0 302.418 4.387 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC(F)CC1 ZINC001307964040 1065702586 /nfs/dbraw/zinc/70/25/86/1065702586.db2.gz IMCWMEQCKXRXEI-XSRFYTQQSA-N 1 0 314.788 4.255 20 5 DIBDRO CCCC1(CCC)CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308050226 1065740221 /nfs/dbraw/zinc/74/02/21/1065740221.db2.gz RERQWBUMSIAHNS-QGZVFWFLSA-N 1 0 320.433 4.063 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001308070464 1065750676 /nfs/dbraw/zinc/75/06/76/1065750676.db2.gz NASXHEJIOAEALU-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOC1CCCCCC1 ZINC001308270739 1065869760 /nfs/dbraw/zinc/86/97/60/1065869760.db2.gz NQRNMICZHCGEAX-UHFFFAOYSA-N 1 0 320.433 4.041 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC001308362172 1065941351 /nfs/dbraw/zinc/94/13/51/1065941351.db2.gz ITTBKQWRAITCRV-LBPRGKRZSA-N 1 0 300.358 4.133 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C=CCC2)s1 ZINC001308459068 1066002043 /nfs/dbraw/zinc/00/20/43/1066002043.db2.gz WUARBDMCRCVSFN-LBPRGKRZSA-N 1 0 300.383 4.132 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC001308534526 1066052778 /nfs/dbraw/zinc/05/27/78/1066052778.db2.gz BMTJDVUDIAIIQV-LBPRGKRZSA-N 1 0 320.339 4.426 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000903286749 1066100944 /nfs/dbraw/zinc/10/09/44/1066100944.db2.gz GDUCWWIDLNBSFG-MLGOLLRUSA-N 1 0 300.358 4.102 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1O ZINC000903287286 1066103869 /nfs/dbraw/zinc/10/38/69/1066103869.db2.gz NBMASGUTBAWCOI-CXAGYDPISA-N 1 0 314.385 4.411 20 5 DIBDRO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001308596639 1066109094 /nfs/dbraw/zinc/10/90/94/1066109094.db2.gz XCQOBNKNKLJKDK-UXHICEINSA-N 1 0 322.408 4.421 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCC1CCCC1 ZINC001308638137 1066131376 /nfs/dbraw/zinc/13/13/76/1066131376.db2.gz UPBWSEVNZOLTAL-ZDUSSCGKSA-N 1 0 306.406 4.052 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CC=CCC1 ZINC001308638397 1066131793 /nfs/dbraw/zinc/13/17/93/1066131793.db2.gz VUHZKFUAYCGIKQ-SFKKXYGYSA-N 1 0 300.402 4.286 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCCCCCC1 ZINC001308641945 1066134078 /nfs/dbraw/zinc/13/40/78/1066134078.db2.gz IZXOYAZGRDEKNF-UHFFFAOYSA-N 1 0 310.825 4.493 20 5 DIBDRO CC(C)=CCC[C@H](C)CCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001308740391 1066212732 /nfs/dbraw/zinc/21/27/32/1066212732.db2.gz JNKJGUDZJCTJNN-INIZCTEOSA-N 1 0 319.449 4.133 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C)(C2CC2)CC1 ZINC001308794361 1066271719 /nfs/dbraw/zinc/27/17/19/1066271719.db2.gz HTUMQTBHIIMDHQ-UHFFFAOYSA-N 1 0 302.418 4.224 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1=CCCC1 ZINC001308802551 1066278051 /nfs/dbraw/zinc/27/80/51/1066278051.db2.gz JQOPUCMEYGDOJP-UHFFFAOYSA-N 1 0 308.809 4.474 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3CCC3)CCC2)c(Cl)c1 ZINC001308804356 1066279216 /nfs/dbraw/zinc/27/92/16/1066279216.db2.gz SLZBPLRCFNLKOJ-UHFFFAOYSA-N 1 0 308.809 4.308 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC001308843001 1066317269 /nfs/dbraw/zinc/31/72/69/1066317269.db2.gz GGESNYDQGPUKHN-YOEHRIQHSA-N 1 0 314.429 4.228 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC001308842999 1066318274 /nfs/dbraw/zinc/31/82/74/1066318274.db2.gz GGESNYDQGPUKHN-RHSMWYFYSA-N 1 0 314.429 4.228 20 5 DIBDRO Cc1ccc2cc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC001308936657 1066408091 /nfs/dbraw/zinc/40/80/91/1066408091.db2.gz QCBJBROVKKNQPF-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@@H](C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001308958612 1066419827 /nfs/dbraw/zinc/41/98/27/1066419827.db2.gz KSBZGUCJNJPRGK-KBPBESRZSA-N 1 0 316.376 4.231 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000078830319 185116947 /nfs/dbraw/zinc/11/69/47/185116947.db2.gz DFBVMKFLINMINP-INIZCTEOSA-N 1 0 300.358 4.305 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000078830996 185117284 /nfs/dbraw/zinc/11/72/84/185117284.db2.gz ASDPKSQGBHWLKE-INIZCTEOSA-N 1 0 300.358 4.305 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000078995817 185143016 /nfs/dbraw/zinc/14/30/16/185143016.db2.gz XXRGGTYLRNRFAR-KBPBESRZSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000040518024 183090336 /nfs/dbraw/zinc/09/03/36/183090336.db2.gz BVUVDXPPUNCDKZ-VHSXEESVSA-N 1 0 305.403 4.080 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000061330931 184168636 /nfs/dbraw/zinc/16/86/36/184168636.db2.gz HXXCINOMBWKCGM-FZMZJTMJSA-N 1 0 302.399 4.385 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc([N+](=O)[O-])cc1 ZINC000061359972 184169055 /nfs/dbraw/zinc/16/90/55/184169055.db2.gz XKBFJSKLYFGYKP-ABAIWWIYSA-N 1 0 302.399 4.385 20 5 DIBDRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000272012812 129990916 /nfs/dbraw/zinc/99/09/16/129990916.db2.gz MGAIALFNYRSYCG-AWEZNQCLSA-N 1 0 313.401 4.138 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000273115077 130090705 /nfs/dbraw/zinc/09/07/05/130090705.db2.gz XDVNXAOMOJGOBS-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000121873791 132160621 /nfs/dbraw/zinc/16/06/21/132160621.db2.gz JCWXVTYTXWPDIA-CQSZACIVSA-N 1 0 314.385 4.233 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cs1 ZINC000520042055 332030813 /nfs/dbraw/zinc/03/08/13/332030813.db2.gz FRHWDYVOJPPZKT-HNNXBMFYSA-N 1 0 320.389 4.003 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000449373525 332088269 /nfs/dbraw/zinc/08/82/69/332088269.db2.gz RRSCQNKMWRDBHL-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000560542547 332355754 /nfs/dbraw/zinc/35/57/54/332355754.db2.gz PCTFNARQUICVJP-OAHLLOKOSA-N 1 0 314.360 4.032 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(F)c1 ZINC000318448940 332730416 /nfs/dbraw/zinc/73/04/16/332730416.db2.gz BGURFONEACPUIQ-MRXNPFEDSA-N 1 0 302.349 4.283 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000378866713 333057689 /nfs/dbraw/zinc/05/76/89/333057689.db2.gz CHBCOJSSIFTYSH-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000314097680 333087274 /nfs/dbraw/zinc/08/72/74/333087274.db2.gz YHVMNXZGRUIAMZ-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO C=Cc1ccc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000462906793 333130438 /nfs/dbraw/zinc/13/04/38/333130438.db2.gz NVYWVKQELNPZIH-FNORWQNLSA-N 1 0 308.381 4.083 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000522716714 333175024 /nfs/dbraw/zinc/17/50/24/333175024.db2.gz QFKKGQYJFLHEJV-LSDHHAIUSA-N 1 0 322.474 4.482 20 5 DIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000019992136 333294741 /nfs/dbraw/zinc/29/47/41/333294741.db2.gz DNDPHASZTCTMCJ-GFCCVEGCSA-N 1 0 313.829 4.171 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000040444241 333353039 /nfs/dbraw/zinc/35/30/39/333353039.db2.gz SJTCRXPVSSNXNN-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC000319637625 333391905 /nfs/dbraw/zinc/39/19/05/333391905.db2.gz OOQURVWLDKAJMH-UHFFFAOYSA-N 1 0 310.397 4.411 20 5 DIBDRO Cc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000391110834 333420319 /nfs/dbraw/zinc/42/03/19/333420319.db2.gz UHASNLNPQWMSOL-IBGZPJMESA-N 1 0 310.397 4.453 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000320294997 333500963 /nfs/dbraw/zinc/50/09/63/333500963.db2.gz RMFZDJGCDYNGKG-ROUUACIJSA-N 1 0 310.397 4.411 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000414132897 333900264 /nfs/dbraw/zinc/90/02/64/333900264.db2.gz MXTSJVGJXJAIBO-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000414260681 333929112 /nfs/dbraw/zinc/92/91/12/333929112.db2.gz GNCFZKASUAEXEB-GXSJLCMTSA-N 1 0 304.312 4.142 20 5 DIBDRO CC[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000414341956 333942459 /nfs/dbraw/zinc/94/24/59/333942459.db2.gz WNOTVYAIFPNOSI-QGZVFWFLSA-N 1 0 313.401 4.008 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 ZINC000268811585 333994398 /nfs/dbraw/zinc/99/43/98/333994398.db2.gz OCQZHPBTRHTCLK-STQMWFEESA-N 1 0 312.369 4.037 20 5 DIBDRO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000271651747 334024960 /nfs/dbraw/zinc/02/49/60/334024960.db2.gz BGAZKQXIHLRDDI-QWRGUYRKSA-N 1 0 319.430 4.334 20 5 DIBDRO CC(C)c1ccc(CNc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414804029 334103403 /nfs/dbraw/zinc/10/34/03/334103403.db2.gz KEIQXFYVDQVRAR-CYBMUJFWSA-N 1 0 313.401 4.350 20 5 DIBDRO C[N@H+](CCCCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000303000523 334299098 /nfs/dbraw/zinc/29/90/98/334299098.db2.gz UNLYJUWPOKBDTI-UHFFFAOYSA-N 1 0 312.413 4.092 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000531947961 334302687 /nfs/dbraw/zinc/30/26/87/334302687.db2.gz UYZPYGPNFWSBPA-RHSMWYFYSA-N 1 0 310.397 4.111 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2occc21 ZINC000344473623 335251721 /nfs/dbraw/zinc/25/17/21/335251721.db2.gz FVUIJZWTNQYWRJ-BBRMVZONSA-N 1 0 314.385 4.176 20 5 DIBDRO CC[C@@H]([NH2+]CCC1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000349722933 335694202 /nfs/dbraw/zinc/69/42/02/335694202.db2.gz PXWJTXMGMYPDNH-IUPXNIOVSA-N 1 0 320.433 4.231 20 5 DIBDRO C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000094259809 335732894 /nfs/dbraw/zinc/73/28/94/335732894.db2.gz XDNXHIOETZHZOY-LBPRGKRZSA-N 1 0 304.415 4.285 20 5 DIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180040 335813271 /nfs/dbraw/zinc/81/32/71/335813271.db2.gz GZXWOLHAVHWWSS-MSOLQXFVSA-N 1 0 308.381 4.168 20 5 DIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192543756 336073714 /nfs/dbraw/zinc/07/37/14/336073714.db2.gz HLJTVVZXXCVJIC-ZIAGYGMSSA-N 1 0 314.385 4.405 20 5 DIBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000332230263 336164115 /nfs/dbraw/zinc/16/41/15/336164115.db2.gz OEZXVPQSIMLJKY-GOSISDBHSA-N 1 0 320.433 4.109 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000526118734 336203187 /nfs/dbraw/zinc/20/31/87/336203187.db2.gz XZWWYNODACQWGU-QGZVFWFLSA-N 1 0 302.349 4.017 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000103465480 336240984 /nfs/dbraw/zinc/24/09/84/336240984.db2.gz UQVFVBNJTLLMAG-QGZVFWFLSA-N 1 0 302.349 4.221 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000532465541 336249236 /nfs/dbraw/zinc/24/92/36/336249236.db2.gz TZZRQNWDEVXRHK-NSHDSACASA-N 1 0 306.312 4.032 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CSc2ccccc21 ZINC000532500425 336252212 /nfs/dbraw/zinc/25/22/12/336252212.db2.gz XKZHSJIWULQDGX-LRDDRELGSA-N 1 0 314.410 4.401 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000532511777 336252917 /nfs/dbraw/zinc/25/29/17/336252917.db2.gz XFPIAGYRMBBYQO-KBPBESRZSA-N 1 0 316.405 4.092 20 5 DIBDRO C[C@H]([NH2+]CCCn1ccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000325091548 336278873 /nfs/dbraw/zinc/27/88/73/336278873.db2.gz LSJQLMBLZVAGOD-HNNXBMFYSA-N 1 0 323.396 4.290 20 5 DIBDRO Cc1cc(NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2[nH+]1 ZINC000301687036 336323553 /nfs/dbraw/zinc/32/35/53/336323553.db2.gz UYLGDQMZGOTBSA-UHFFFAOYSA-N 1 0 311.316 4.203 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000193079355 336395409 /nfs/dbraw/zinc/39/54/09/336395409.db2.gz FJGQAJGCODFYGQ-NSHDSACASA-N 1 0 322.311 4.047 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000389482523 336395608 /nfs/dbraw/zinc/39/56/08/336395608.db2.gz QIQCCIZOWMCJGR-QWHCGFSZSA-N 1 0 316.323 4.114 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000353970132 336451647 /nfs/dbraw/zinc/45/16/47/336451647.db2.gz BXBFGGQYZCGTRF-SJKOYZFVSA-N 1 0 324.384 4.273 20 5 DIBDRO Cc1oc2ccccc2c1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000361743382 336770946 /nfs/dbraw/zinc/77/09/46/336770946.db2.gz GHDLVVOBNJXZND-UHFFFAOYSA-N 1 0 316.382 4.043 20 5 DIBDRO CCO[C@@H](CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000361803198 336773342 /nfs/dbraw/zinc/77/33/42/336773342.db2.gz DOWXOBJZRDMQND-IRXDYDNUSA-N 1 0 308.422 4.087 20 5 DIBDRO CCC[C@H]([NH2+]CCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000181484602 337182360 /nfs/dbraw/zinc/18/23/60/337182360.db2.gz HBCPSHXAESMDOU-SFHVURJKSA-N 1 0 313.401 4.053 20 5 DIBDRO CC[C@@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377603 337188123 /nfs/dbraw/zinc/18/81/23/337188123.db2.gz DRVFXYCMOMMELA-INIZCTEOSA-N 1 0 319.792 4.226 20 5 DIBDRO CC1(C)CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000321412356 337262930 /nfs/dbraw/zinc/26/29/30/337262930.db2.gz JMQYQQNEPJMVFL-KRWDZBQOSA-N 1 0 310.397 4.497 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000285312802 337595182 /nfs/dbraw/zinc/59/51/82/337595182.db2.gz SPZTYPHWNJNMER-SGTLLEGYSA-N 1 0 312.369 4.029 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000396878805 337733910 /nfs/dbraw/zinc/73/39/10/337733910.db2.gz GOZGIHYJFOIURI-MWLCHTKSSA-N 1 0 304.312 4.142 20 5 DIBDRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000537452772 337937122 /nfs/dbraw/zinc/93/71/22/337937122.db2.gz BKXCXNMHCBMJQT-LBPRGKRZSA-N 1 0 300.333 4.074 20 5 DIBDRO Cc1cc(NCCSC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000315159071 337981478 /nfs/dbraw/zinc/98/14/78/337981478.db2.gz WOKCUXOZZDLNKL-UHFFFAOYSA-N 1 0 305.403 4.005 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2nccc3ccccc32)cccc1[N+](=O)[O-] ZINC000515492865 337990861 /nfs/dbraw/zinc/99/08/61/337990861.db2.gz AJUHMLCNLDLWOP-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC000515716454 337996592 /nfs/dbraw/zinc/99/65/92/337996592.db2.gz MARWTMMBLFGVKE-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)Cc1ccsc1 ZINC000426491890 338033569 /nfs/dbraw/zinc/03/35/69/338033569.db2.gz LDMCQLRTBFTIIQ-LBPRGKRZSA-N 1 0 322.405 4.249 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)o2)c1 ZINC000428455692 338052695 /nfs/dbraw/zinc/05/26/95/338052695.db2.gz JXXSJXGYPOHCQG-GUYCJALGSA-N 1 0 312.369 4.229 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)o2)c1 ZINC000428455699 338052697 /nfs/dbraw/zinc/05/26/97/338052697.db2.gz JXXSJXGYPOHCQG-SUMWQHHRSA-N 1 0 312.369 4.229 20 5 DIBDRO CC(C)(C)OCCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429257884 338075033 /nfs/dbraw/zinc/07/50/33/338075033.db2.gz GCFYJCIYKBDRQU-UHFFFAOYSA-N 1 0 308.422 4.015 20 5 DIBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429262112 338075209 /nfs/dbraw/zinc/07/52/09/338075209.db2.gz DJXZQCAEOZAOBU-RHSMWYFYSA-N 1 0 320.433 4.015 20 5 DIBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000429671211 338086914 /nfs/dbraw/zinc/08/69/14/338086914.db2.gz MVENVJZATLMSNT-ZBFHGGJFSA-N 1 0 308.447 4.057 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430035634 338093987 /nfs/dbraw/zinc/09/39/87/338093987.db2.gz CBGLLSMEEREESU-GMMCIKNFSA-N 1 0 310.344 4.023 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1occc1C ZINC000430127818 338098083 /nfs/dbraw/zinc/09/80/83/338098083.db2.gz PUUXMIMQZXQMOF-LCYFTJDESA-N 1 0 300.358 4.032 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1occc1C ZINC000430127820 338098232 /nfs/dbraw/zinc/09/82/32/338098232.db2.gz PUUXMIMQZXQMOF-UKTHLTGXSA-N 1 0 300.358 4.032 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000430225423 338102182 /nfs/dbraw/zinc/10/21/82/338102182.db2.gz MBFJIISIJJZBNC-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000430741349 338113069 /nfs/dbraw/zinc/11/30/69/338113069.db2.gz ISUZWNXETBKLHK-SWLSCSKDSA-N 1 0 312.360 4.461 20 5 DIBDRO Cc1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433131808 338182596 /nfs/dbraw/zinc/18/25/96/338182596.db2.gz DJLWSQYBRVFKJO-GOSISDBHSA-N 1 0 310.397 4.415 20 5 DIBDRO CSC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000433173511 338184040 /nfs/dbraw/zinc/18/40/40/338184040.db2.gz ICCJNDABKGPBRR-UHFFFAOYSA-N 1 0 308.447 4.094 20 5 DIBDRO CC(C)OCCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433238557 338187310 /nfs/dbraw/zinc/18/73/10/338187310.db2.gz HFUQMHNCOQJHNG-QGZVFWFLSA-N 1 0 320.433 4.112 20 5 DIBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285090 338189273 /nfs/dbraw/zinc/18/92/73/338189273.db2.gz LBJSJJCAHRVYJN-MLGOLLRUSA-N 1 0 320.433 4.110 20 5 DIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000434900335 338227405 /nfs/dbraw/zinc/22/74/05/338227405.db2.gz CWHJGZXJUHUNEX-UKRRQHHQSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000435664130 338244561 /nfs/dbraw/zinc/24/45/61/338244561.db2.gz QIHHXSDXDZDORE-SRCQZFHVSA-N 1 0 314.360 4.331 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000435725650 338246292 /nfs/dbraw/zinc/24/62/92/338246292.db2.gz HWUOTUVHFULDII-JCNLHEQBSA-N 1 0 314.360 4.078 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000436274159 338264966 /nfs/dbraw/zinc/26/49/66/338264966.db2.gz KQPFJSZBNUEOAF-LLVKDONJSA-N 1 0 313.332 4.066 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000436408190 338271327 /nfs/dbraw/zinc/27/13/27/338271327.db2.gz KXICISKDJWBCGU-QZTJIDSGSA-N 1 0 310.397 4.063 20 5 DIBDRO CCSCC[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447528070 338554246 /nfs/dbraw/zinc/55/42/46/338554246.db2.gz ICXYCZXHVBYYNW-WBMJQRKESA-N 1 0 308.447 4.094 20 5 DIBDRO Cc1ccsc1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579687 338558783 /nfs/dbraw/zinc/55/87/83/338558783.db2.gz LKNPZAOUOUMHLX-MRXNPFEDSA-N 1 0 316.426 4.174 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)s1 ZINC000449068403 338590227 /nfs/dbraw/zinc/59/02/27/338590227.db2.gz BJTJCKBYVKBPHR-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(c2ccccc2)C1 ZINC000449150013 338597123 /nfs/dbraw/zinc/59/71/23/338597123.db2.gz YMRALMBUFNQXNP-NNGSBXSVSA-N 1 0 310.397 4.062 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000449351462 338616414 /nfs/dbraw/zinc/61/64/14/338616414.db2.gz PQNLOVQNTZPUKY-INIZCTEOSA-N 1 0 318.323 4.040 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(CF)CC2)o1 ZINC000449464687 338627200 /nfs/dbraw/zinc/62/72/00/338627200.db2.gz YRWRNOCHURQROP-UHFFFAOYSA-N 1 0 318.348 4.036 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453238496 338812524 /nfs/dbraw/zinc/81/25/24/338812524.db2.gz QJDUWLLKKQTOAC-XIKOKIGWSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000195651104 338912416 /nfs/dbraw/zinc/91/24/16/338912416.db2.gz WGRBUPQPIRURLM-GFCCVEGCSA-N 1 0 320.414 4.003 20 5 DIBDRO C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000462542538 339080893 /nfs/dbraw/zinc/08/08/93/339080893.db2.gz NDZULZWYQYCTKV-IFXJQAMLSA-N 1 0 310.397 4.398 20 5 DIBDRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000462543680 339081009 /nfs/dbraw/zinc/08/10/09/339081009.db2.gz USAGZGLEPJICNX-PXAZEXFGSA-N 1 0 316.426 4.460 20 5 DIBDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000464054412 339132076 /nfs/dbraw/zinc/13/20/76/339132076.db2.gz UJMIZVHAIIQGRS-CYBMUJFWSA-N 1 0 310.463 4.340 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000464723770 339149865 /nfs/dbraw/zinc/14/98/65/339149865.db2.gz CHOMIMMWVCNZPB-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)o1 ZINC000464831848 339155827 /nfs/dbraw/zinc/15/58/27/339155827.db2.gz KTOXWDJOLJLXIG-DYVFJYSZSA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000464831184 339155950 /nfs/dbraw/zinc/15/59/50/339155950.db2.gz JYTJFXXMTCYONA-GUYCJALGSA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000464831182 339155957 /nfs/dbraw/zinc/15/59/57/339155957.db2.gz JYTJFXXMTCYONA-CXAGYDPISA-N 1 0 314.385 4.469 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\c2ccc(F)cc2)c(Cl)c1 ZINC000466468851 339206354 /nfs/dbraw/zinc/20/63/54/339206354.db2.gz LQXBEZXJVLASDM-UPHRSURJSA-N 1 0 320.751 4.190 20 5 DIBDRO COCC[C@@H]1CCCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000467276370 339229732 /nfs/dbraw/zinc/22/97/32/339229732.db2.gz AUAXFRHKOHHJLV-CVEARBPZSA-N 1 0 320.433 4.103 20 5 DIBDRO CCO[C@@H](CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000467776625 339246558 /nfs/dbraw/zinc/24/65/58/339246558.db2.gz JCGLMIXLUREJGB-SFHVURJKSA-N 1 0 322.449 4.259 20 5 DIBDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000467835113 339247180 /nfs/dbraw/zinc/24/71/80/339247180.db2.gz YMPDYERXTWGUMW-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)c[nH]c2c1 ZINC000467841000 339247396 /nfs/dbraw/zinc/24/73/96/339247396.db2.gz XPRUDNRGAHBHCF-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467840405 339247443 /nfs/dbraw/zinc/24/74/43/339247443.db2.gz REGJQSITYUOXJX-ZDUSSCGKSA-N 1 0 314.360 4.116 20 5 DIBDRO Cc1ccc(OCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000467846636 339247490 /nfs/dbraw/zinc/24/74/90/339247490.db2.gz PJZWORRFLGEKSK-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000467861607 339247922 /nfs/dbraw/zinc/24/79/22/339247922.db2.gz HTJFHTFIHGXCTC-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467863509 339248078 /nfs/dbraw/zinc/24/80/78/339248078.db2.gz NXWZEDDSFJFQJG-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467863510 339248104 /nfs/dbraw/zinc/24/81/04/339248104.db2.gz NXWZEDDSFJFQJG-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000467974269 339250375 /nfs/dbraw/zinc/25/03/75/339250375.db2.gz STTZJTORUYXPFY-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO CCS[C@H]1CCCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000468229969 339256824 /nfs/dbraw/zinc/25/68/24/339256824.db2.gz JKFYTNXDIMGOAI-KGLIPLIRSA-N 1 0 308.447 4.263 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000468608456 339267044 /nfs/dbraw/zinc/26/70/44/339267044.db2.gz MLIBIHWDSVUGOQ-GXDHUFHOSA-N 1 0 321.380 4.269 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000468616029 339267215 /nfs/dbraw/zinc/26/72/15/339267215.db2.gz VUVFSGVWRFFCPL-RBFDBLARSA-N 1 0 310.397 4.391 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)cc1F ZINC000468641774 339267803 /nfs/dbraw/zinc/26/78/03/339267803.db2.gz FZYZTPRFAQGEPQ-GHXNOFRVSA-N 1 0 318.323 4.066 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)s1 ZINC000468645311 339267886 /nfs/dbraw/zinc/26/78/86/339267886.db2.gz MMTHELXRCQLEGA-WQLSENKSSA-N 1 0 302.399 4.158 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccs1 ZINC000470171001 339312679 /nfs/dbraw/zinc/31/26/79/339312679.db2.gz DHMOONKZSSUEPK-LCYFTJDESA-N 1 0 302.399 4.192 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2ccsc2C1 ZINC000470178590 339312967 /nfs/dbraw/zinc/31/29/67/339312967.db2.gz LFTUCZNYFKKKGJ-UKTHLTGXSA-N 1 0 314.410 4.118 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000470197766 339313904 /nfs/dbraw/zinc/31/39/04/339313904.db2.gz KZLPAORCDGYCLC-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000471612892 339349556 /nfs/dbraw/zinc/34/95/56/339349556.db2.gz HKCCCONBUXQHAG-SFHVURJKSA-N 1 0 310.397 4.379 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000475343157 339448133 /nfs/dbraw/zinc/44/81/33/339448133.db2.gz QDASBBSUQWBLNG-NVXWUHKLSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000475563714 339455435 /nfs/dbraw/zinc/45/54/35/339455435.db2.gz KBRJYUPRYLXFFE-NVXWUHKLSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475668553 339458960 /nfs/dbraw/zinc/45/89/60/339458960.db2.gz KCGYJTTUHZTATQ-KOMQPUFPSA-N 1 0 316.788 4.284 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000478477221 339516235 /nfs/dbraw/zinc/51/62/35/339516235.db2.gz DYKUIOCLWYNNTA-QGZVFWFLSA-N 1 0 310.397 4.415 20 5 DIBDRO Cc1ccsc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000481421721 339603967 /nfs/dbraw/zinc/60/39/67/339603967.db2.gz QVYVYMKNDRUTDE-HNNXBMFYSA-N 1 0 316.426 4.076 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)cs1 ZINC000481820729 339614675 /nfs/dbraw/zinc/61/46/75/339614675.db2.gz YAYUPOJSDCTHLI-OLZOCXBDSA-N 1 0 320.389 4.221 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000481832167 339615103 /nfs/dbraw/zinc/61/51/03/339615103.db2.gz NUGULJJOQWRHDJ-HUUCEWRRSA-N 1 0 314.360 4.160 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000483759456 339674083 /nfs/dbraw/zinc/67/40/83/339674083.db2.gz UWZBEADSEXIJRX-XJKSGUPXSA-N 1 0 308.422 4.229 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483852027 339676486 /nfs/dbraw/zinc/67/64/86/339676486.db2.gz MCFKDQNSACGIQV-HZPDHXFCSA-N 1 0 308.422 4.087 20 5 DIBDRO CC[C@H]([NH2+]Cc1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000487266836 339748007 /nfs/dbraw/zinc/74/80/07/339748007.db2.gz JPSDFJBDBQVBFN-AWEZNQCLSA-N 1 0 317.414 4.170 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488447534 339782956 /nfs/dbraw/zinc/78/29/56/339782956.db2.gz WPRCJUTXVJDGIB-NOLJZWGESA-N 1 0 308.447 4.084 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccccc3)CC2)c(F)c1 ZINC000491195371 339852782 /nfs/dbraw/zinc/85/27/82/339852782.db2.gz VMWULRQIMAJPSB-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000492437542 339900670 /nfs/dbraw/zinc/90/06/70/339900670.db2.gz HSPMMNUAHABAMD-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO CCOc1cc(C[NH2+]C(C)(C)c2cccs2)ccc1[N+](=O)[O-] ZINC000492876497 339911253 /nfs/dbraw/zinc/91/12/53/339911253.db2.gz WJBQXFRSWZFFDP-UHFFFAOYSA-N 1 0 320.414 4.080 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000494454310 339949755 /nfs/dbraw/zinc/94/97/55/339949755.db2.gz RVDRZNOVHVDASV-ZDUSSCGKSA-N 1 0 304.312 4.138 20 5 DIBDRO CCSCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000500371734 340055909 /nfs/dbraw/zinc/05/59/09/340055909.db2.gz MBRJGSWEWKLTMX-UHFFFAOYSA-N 1 0 320.414 4.088 20 5 DIBDRO CC[C@@H]1C[C@@]1([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500537665 340061770 /nfs/dbraw/zinc/06/17/70/340061770.db2.gz UKRVGPXTBLZSSK-APWZRJJASA-N 1 0 310.397 4.318 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000502591103 340108687 /nfs/dbraw/zinc/10/86/87/340108687.db2.gz KHEAIEPGFZXQCZ-OLZOCXBDSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000502591104 340108698 /nfs/dbraw/zinc/10/86/98/340108698.db2.gz KHEAIEPGFZXQCZ-QWHCGFSZSA-N 1 0 312.360 4.379 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000503952936 340138479 /nfs/dbraw/zinc/13/84/79/340138479.db2.gz LKSIXBYHXSINHC-GOSISDBHSA-N 1 0 323.396 4.360 20 5 DIBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000506009816 340183151 /nfs/dbraw/zinc/18/31/51/340183151.db2.gz MLFIHFXHSXSEBB-VMPITWQZSA-N 1 0 302.399 4.192 20 5 DIBDRO Cc1ccsc1C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000506056096 340184509 /nfs/dbraw/zinc/18/45/09/340184509.db2.gz QENPUUWWJXDNRJ-FNORWQNLSA-N 1 0 302.399 4.110 20 5 DIBDRO CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(Cl)c1 ZINC000507116770 340208216 /nfs/dbraw/zinc/20/82/16/340208216.db2.gz RRTIZCOLQZNGJK-UHFFFAOYSA-N 1 0 308.740 4.019 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000507174818 340211090 /nfs/dbraw/zinc/21/10/90/340211090.db2.gz SPYKLTXEXFIMCF-HNNXBMFYSA-N 1 0 302.399 4.302 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000507173725 340211217 /nfs/dbraw/zinc/21/12/17/340211217.db2.gz AXFVYKKNLXFKON-KRWDZBQOSA-N 1 0 310.397 4.201 20 5 DIBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000507434862 340219456 /nfs/dbraw/zinc/21/94/56/340219456.db2.gz UTRHXHDLAVZENF-LBPRGKRZSA-N 1 0 300.358 4.085 20 5 DIBDRO COc1ccc(C[N@H+](C)CCC2CCCCC2)cc1[N+](=O)[O-] ZINC000507621013 340226692 /nfs/dbraw/zinc/22/66/92/340226692.db2.gz XNOKFCVFDOZQNG-UHFFFAOYSA-N 1 0 306.406 4.006 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000507907774 340235641 /nfs/dbraw/zinc/23/56/41/340235641.db2.gz WVDMWKWQEMJFGC-CQSZACIVSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC000509009150 340258024 /nfs/dbraw/zinc/25/80/24/340258024.db2.gz XTXKYGKBSAOLAQ-NEPJUHHUSA-N 1 0 320.339 4.155 20 5 DIBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC000509009153 340258071 /nfs/dbraw/zinc/25/80/71/340258071.db2.gz XTXKYGKBSAOLAQ-VXGBXAGGSA-N 1 0 320.339 4.155 20 5 DIBDRO COCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000510957965 340315975 /nfs/dbraw/zinc/31/59/75/340315975.db2.gz KAOOFMRXNPVUKL-CJNGLKHVSA-N 1 0 308.422 4.005 20 5 DIBDRO COCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000510957969 340316031 /nfs/dbraw/zinc/31/60/31/340316031.db2.gz KAOOFMRXNPVUKL-XJKSGUPXSA-N 1 0 308.422 4.005 20 5 DIBDRO COCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000510975873 340316765 /nfs/dbraw/zinc/31/67/65/340316765.db2.gz LBCDORQOEJLOQY-BBRMVZONSA-N 1 0 308.422 4.005 20 5 DIBDRO C[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000511991010 340344613 /nfs/dbraw/zinc/34/46/13/340344613.db2.gz QJQKWPSQEXQXEN-ZYOFXKKJSA-N 1 0 318.323 4.237 20 5 DIBDRO CSCc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000512977656 340386635 /nfs/dbraw/zinc/38/66/35/340386635.db2.gz PTSPSIRMHRGOSZ-UHFFFAOYSA-N 1 0 316.426 4.056 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C(C1CCC1)C1CCC1 ZINC000512991844 340387154 /nfs/dbraw/zinc/38/71/54/340387154.db2.gz HYDRNIVRRCIERY-VZUCSPMQSA-N 1 0 300.402 4.166 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C(C1CCC1)C1CCC1 ZINC000512991845 340387169 /nfs/dbraw/zinc/38/71/69/340387169.db2.gz HYDRNIVRRCIERY-WZUFQYTHSA-N 1 0 300.402 4.166 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000513189417 340396074 /nfs/dbraw/zinc/39/60/74/340396074.db2.gz YAMLBKKOAOGHRR-OLZOCXBDSA-N 1 0 324.384 4.191 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000513189416 340396213 /nfs/dbraw/zinc/39/62/13/340396213.db2.gz YAMLBKKOAOGHRR-CHWSQXEVSA-N 1 0 324.384 4.191 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000513856852 340428809 /nfs/dbraw/zinc/42/88/09/340428809.db2.gz CJPYAEYWOWQWNQ-SJCJKPOMSA-N 1 0 314.360 4.380 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cccc([N+](=O)[O-])c1 ZINC000513858278 340428811 /nfs/dbraw/zinc/42/88/11/340428811.db2.gz XBUSEECRZANIJV-ZWKOTPCHSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000038092352 340789544 /nfs/dbraw/zinc/78/95/44/340789544.db2.gz VYLJEYXPVMMHSA-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccccc1OCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538224493 340814137 /nfs/dbraw/zinc/81/41/37/340814137.db2.gz DREDPAKKWBUFOM-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO CC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000538392098 340820243 /nfs/dbraw/zinc/82/02/43/340820243.db2.gz JYKOCTUHBJAJMM-HNNXBMFYSA-N 1 0 317.389 4.164 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000538411151 340822034 /nfs/dbraw/zinc/82/20/34/340822034.db2.gz UNYKZGSLZNCQCZ-CHWSQXEVSA-N 1 0 316.323 4.053 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C2(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000538555350 340833077 /nfs/dbraw/zinc/83/30/77/340833077.db2.gz ZWHDYIZSNBWEBN-ZDUSSCGKSA-N 1 0 314.360 4.382 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCO[C@H](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000538581946 340834209 /nfs/dbraw/zinc/83/42/09/340834209.db2.gz WSFQRZYHMIRCFC-JQHSSLGASA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127255973 340847955 /nfs/dbraw/zinc/84/79/55/340847955.db2.gz NOJXNCZVUVUMQE-HUUCEWRRSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000539051931 340867922 /nfs/dbraw/zinc/86/79/22/340867922.db2.gz PULUJLDFHZVBDA-UGSOOPFHSA-N 1 0 311.385 4.100 20 5 DIBDRO C[C@H]([NH2+]CCc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000539076221 340870915 /nfs/dbraw/zinc/87/09/15/340870915.db2.gz MSDODIJSUYVKKT-ZDUSSCGKSA-N 1 0 310.353 4.234 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000539092111 340872700 /nfs/dbraw/zinc/87/27/00/340872700.db2.gz XAWAUZZSONQOKY-ACJLOTCBSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000540151937 340917600 /nfs/dbraw/zinc/91/76/00/340917600.db2.gz SYRZMAHMRGKIKW-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000540193689 340922709 /nfs/dbraw/zinc/92/27/09/340922709.db2.gz BYYCDSRMMSLSBN-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO CCCC[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000542480457 341009252 /nfs/dbraw/zinc/00/92/52/341009252.db2.gz CTECYYFWQWOSJP-KRWDZBQOSA-N 1 0 302.374 4.229 20 5 DIBDRO CC[C@H]([NH2+]CCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000130413585 341021119 /nfs/dbraw/zinc/02/11/19/341021119.db2.gz ONYDAOKPZTXAFL-ZDUSSCGKSA-N 1 0 304.312 4.368 20 5 DIBDRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000543599546 341050423 /nfs/dbraw/zinc/05/04/23/341050423.db2.gz ZMGDYPMTVUCIMP-AAEUAGOBSA-N 1 0 319.430 4.122 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000544354609 341077846 /nfs/dbraw/zinc/07/78/46/341077846.db2.gz HXQUEOLNJRKFIR-LLVKDONJSA-N 1 0 322.792 4.261 20 5 DIBDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3C)cc2c1C ZINC000544603742 341088242 /nfs/dbraw/zinc/08/82/42/341088242.db2.gz DCQQUUUDCWOZDS-UHFFFAOYSA-N 1 0 323.396 4.291 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544842547 341095930 /nfs/dbraw/zinc/09/59/30/341095930.db2.gz FYNKGVKABVNPPT-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO COc1ccc(C[NH2+][C@@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544842546 341095955 /nfs/dbraw/zinc/09/59/55/341095955.db2.gz FYNKGVKABVNPPT-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1c([C@H](C)[NH2+]Cc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000132436894 341123178 /nfs/dbraw/zinc/12/31/78/341123178.db2.gz MPFOUOSIIUTKEK-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000564314069 341198262 /nfs/dbraw/zinc/19/82/62/341198262.db2.gz AYRZUAJKORMCCZ-LBKOFNPBSA-N 1 0 323.396 4.230 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000076604054 341210490 /nfs/dbraw/zinc/21/04/90/341210490.db2.gz IZCNBUDTGSZIGL-HNNXBMFYSA-N 1 0 302.399 4.036 20 5 DIBDRO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000547393300 341210687 /nfs/dbraw/zinc/21/06/87/341210687.db2.gz QEQAPARUQMKWKQ-ZCGYKAAXSA-N 1 0 310.397 4.366 20 5 DIBDRO Cc1cccc2c(CC[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)c[nH]c21 ZINC000237768724 341220333 /nfs/dbraw/zinc/22/03/33/341220333.db2.gz RCINAGVPFKXWFH-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000078971028 341250809 /nfs/dbraw/zinc/25/08/09/341250809.db2.gz LOQUJGSCETYEAR-WDEREUQCSA-N 1 0 306.312 4.285 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000079121707 341253952 /nfs/dbraw/zinc/25/39/52/341253952.db2.gz XSBYHJDIOMJLOT-STQMWFEESA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000079721084 341264444 /nfs/dbraw/zinc/26/44/44/341264444.db2.gz ODRWDYVMPCJPPB-STQMWFEESA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000080241206 341271395 /nfs/dbraw/zinc/27/13/95/341271395.db2.gz KIENUCXQJRDZOB-WCQYABFASA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000080347293 341273009 /nfs/dbraw/zinc/27/30/09/341273009.db2.gz YRYZUCVILSCJPV-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000548790419 341275836 /nfs/dbraw/zinc/27/58/36/341275836.db2.gz UDYWUEQENVSSFJ-CHWSQXEVSA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000549235830 341289320 /nfs/dbraw/zinc/28/93/20/341289320.db2.gz OXKPKYXBHGLGMA-YDHLFZDLSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000245471539 341296064 /nfs/dbraw/zinc/29/60/64/341296064.db2.gz XUCUSDXINKLDRW-YSVLISHTSA-N 1 0 320.433 4.087 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000245525481 341299792 /nfs/dbraw/zinc/29/97/92/341299792.db2.gz OHSRYBMGALQJLB-VXGBXAGGSA-N 1 0 316.323 4.239 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1coc2ccccc12 ZINC000549823705 341304131 /nfs/dbraw/zinc/30/41/31/341304131.db2.gz XFVOITLGAJVSKT-FNORWQNLSA-N 1 0 308.337 4.144 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000549925092 341306873 /nfs/dbraw/zinc/30/68/73/341306873.db2.gz BWCGLYDZNLORNW-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000247052185 341360365 /nfs/dbraw/zinc/36/03/65/341360365.db2.gz NONARSBPFJSWHW-JLJPHGGASA-N 1 0 320.433 4.087 20 5 DIBDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000552055938 341365577 /nfs/dbraw/zinc/36/55/77/341365577.db2.gz JXAQTIIMHZUCTN-ZIAGYGMSSA-N 1 0 316.323 4.138 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000552580311 341399717 /nfs/dbraw/zinc/39/97/17/341399717.db2.gz ZOULSIOWPZOKSD-ACJLOTCBSA-N 1 0 311.385 4.100 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000552923860 341408872 /nfs/dbraw/zinc/40/88/72/341408872.db2.gz XQXFRQYDBNYXSV-HYVNUMGLSA-N 1 0 320.433 4.229 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000555643513 341487918 /nfs/dbraw/zinc/48/79/18/341487918.db2.gz RVKLXBGNRMIWGD-HDJSIYSDSA-N 1 0 316.788 4.284 20 5 DIBDRO C[C@@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000577966986 341960554 /nfs/dbraw/zinc/96/05/54/341960554.db2.gz IKWQPOCSPQYHGU-WUOGDMFISA-N 1 0 322.408 4.391 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000178675593 341961482 /nfs/dbraw/zinc/96/14/82/341961482.db2.gz DGWNSMQMAQVEAY-QZTJIDSGSA-N 1 0 314.360 4.462 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000178729915 341963112 /nfs/dbraw/zinc/96/31/12/341963112.db2.gz BHKQNRSCFQDDDM-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCCC1(F)F ZINC000449380542 518203136 /nfs/dbraw/zinc/20/31/36/518203136.db2.gz WIFRPGMNSULHLP-HZRUHFOJSA-N 1 0 310.344 4.023 20 5 DIBDRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000245530279 520274765 /nfs/dbraw/zinc/27/47/65/520274765.db2.gz SIQCBHRAQJBUHH-NVXWUHKLSA-N 1 0 320.433 4.245 20 5 DIBDRO CC[NH+](CC)Cc1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000190383802 520752021 /nfs/dbraw/zinc/75/20/21/520752021.db2.gz XBRFFRFMELWFPX-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266473788 521414009 /nfs/dbraw/zinc/41/40/09/521414009.db2.gz OPKCHQKIXNTNKP-KGLIPLIRSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@H]([NH2+][C@@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180845387 522709060 /nfs/dbraw/zinc/70/90/60/522709060.db2.gz KOVCMCMKOTWZRT-ROUUACIJSA-N 1 0 314.385 4.023 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130545606 522723664 /nfs/dbraw/zinc/72/36/64/522723664.db2.gz WSHWHRHOAOZAKD-DLBZAZTESA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127482094 525573495 /nfs/dbraw/zinc/57/34/95/525573495.db2.gz ZQSDNRVTQKVHAX-GOEBONIOSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1[N+](=O)[O-] ZINC000266442097 525582054 /nfs/dbraw/zinc/58/20/54/525582054.db2.gz GZUZGDLXDKARCR-MEDUHNTESA-N 1 0 300.333 4.072 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000127537027 525621834 /nfs/dbraw/zinc/62/18/34/525621834.db2.gz APFGJMCFHQACGV-HOCLYGCPSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1[N+](=O)[O-] ZINC000266442095 525650783 /nfs/dbraw/zinc/65/07/83/525650783.db2.gz GZUZGDLXDKARCR-BDJLRTHQSA-N 1 0 300.333 4.072 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000181392426 525662162 /nfs/dbraw/zinc/66/21/62/525662162.db2.gz ZQIBHAHXFQTKNS-GHMZBOCLSA-N 1 0 305.765 4.055 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000266446056 525692763 /nfs/dbraw/zinc/69/27/63/525692763.db2.gz IHFARJVSXLHAIY-BZNIZROVSA-N 1 0 300.333 4.072 20 5 DIBDRO CSCc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000188715667 525739927 /nfs/dbraw/zinc/73/99/27/525739927.db2.gz RVCHETCQEILRHZ-ZDUSSCGKSA-N 1 0 316.426 4.309 20 5 DIBDRO CSCc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000188722907 525740127 /nfs/dbraw/zinc/74/01/27/525740127.db2.gz AFJXKWUBXQZSJB-ZDUSSCGKSA-N 1 0 316.426 4.309 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000127073449 525921618 /nfs/dbraw/zinc/92/16/18/525921618.db2.gz HBCKLYMHUGBBNJ-LSDHHAIUSA-N 1 0 318.417 4.046 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000191213915 525923934 /nfs/dbraw/zinc/92/39/34/525923934.db2.gz ZKBKAUOQVVEHCQ-OLZOCXBDSA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1csc(CCCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000160698794 526338240 /nfs/dbraw/zinc/33/82/40/526338240.db2.gz IJTCKANCYVCMJM-ZDUSSCGKSA-N 1 0 319.430 4.033 20 5 DIBDRO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000610216127 1035752031 /nfs/dbraw/zinc/75/20/31/1035752031.db2.gz NQTSPDVPXAFRER-XJKSGUPXSA-N 1 0 316.426 4.282 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC001167070262 1035754651 /nfs/dbraw/zinc/75/46/51/1035754651.db2.gz DXAXOICARVXKGF-GOSISDBHSA-N 1 0 302.418 4.182 20 5 DIBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000538751981 1035819891 /nfs/dbraw/zinc/81/98/91/1035819891.db2.gz AAYOEPVUFIWBBE-CQSZACIVSA-N 1 0 308.447 4.046 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4ncccc4F)cc3[nH+]c2c1 ZINC001209810399 1036263575 /nfs/dbraw/zinc/26/35/75/1036263575.db2.gz CJHWUCOFOHTWBR-UHFFFAOYSA-N 1 0 304.328 4.248 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)cs1 ZINC000610271390 1036407079 /nfs/dbraw/zinc/40/70/79/1036407079.db2.gz SJUBKBQXNHVFNF-HNNXBMFYSA-N 1 0 302.399 4.287 20 5 DIBDRO CC(C)n1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001210323264 1036614972 /nfs/dbraw/zinc/61/49/72/1036614972.db2.gz FDRCBPNGOFHCPM-UHFFFAOYSA-N 1 0 317.396 4.491 20 5 DIBDRO [NH3+]Cc1cnc2c(ccn2-c2nc3ccccc3c3ccccc32)c1 ZINC001167316117 1036673014 /nfs/dbraw/zinc/67/30/14/1036673014.db2.gz GBTQMJALTVMOLV-UHFFFAOYSA-N 1 0 324.387 4.186 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCCC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC001167342225 1036825970 /nfs/dbraw/zinc/82/59/70/1036825970.db2.gz TUQFUAZGPVWSOL-UHFFFAOYSA-N 1 0 302.418 4.450 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000177719810 1036960316 /nfs/dbraw/zinc/96/03/16/1036960316.db2.gz INHUTSBGJMOALB-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO CCOc1cc(C[N@H+]([C@H](C)[C@H](C)CC)C2CC2)ccc1[N+](=O)[O-] ZINC001167356341 1036961698 /nfs/dbraw/zinc/96/16/98/1036961698.db2.gz MSIYNRPWVXNVTB-ZIAGYGMSSA-N 1 0 320.433 4.393 20 5 DIBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC001167356102 1036963487 /nfs/dbraw/zinc/96/34/87/1036963487.db2.gz JKSYBZKBRWYUQV-NEPJUHHUSA-N 1 0 324.396 4.142 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001167433409 1037292707 /nfs/dbraw/zinc/29/27/07/1037292707.db2.gz CSGSTIKUNJTALT-BFQNTYOBSA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnc2ccsc2c1 ZINC000126546360 1037730206 /nfs/dbraw/zinc/73/02/06/1037730206.db2.gz UMXWXHIYWMKTAE-LLVKDONJSA-N 1 0 313.382 4.055 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000610511678 1037766852 /nfs/dbraw/zinc/76/68/52/1037766852.db2.gz YIAQSHBVHWUJKC-YPMHNXCESA-N 1 0 316.323 4.053 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cs1 ZINC000610511593 1037768482 /nfs/dbraw/zinc/76/84/82/1037768482.db2.gz LZUVSUNZIYQMGI-QWRGUYRKSA-N 1 0 322.352 4.115 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCCc2sccc21 ZINC000093632908 1037880930 /nfs/dbraw/zinc/88/09/30/1037880930.db2.gz KTIUUYZHEBPSHO-ZDUSSCGKSA-N 1 0 322.817 4.477 20 5 DIBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582554 1038202918 /nfs/dbraw/zinc/20/29/18/1038202918.db2.gz XTEIMDQGGIYWLA-IUODEOHRSA-N 1 0 317.389 4.137 20 5 DIBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581737 1038203948 /nfs/dbraw/zinc/20/39/48/1038203948.db2.gz LJJMUQQUMVVHTR-VXGBXAGGSA-N 1 0 317.389 4.135 20 5 DIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1C(F)(F)F ZINC000603443448 1038204659 /nfs/dbraw/zinc/20/46/59/1038204659.db2.gz LVDHLEGZDWDYCG-UHFFFAOYSA-N 1 0 324.302 4.246 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000598999087 1038209046 /nfs/dbraw/zinc/20/90/46/1038209046.db2.gz DTDFGOTVDQUWJM-UHFFFAOYSA-N 1 0 300.349 4.064 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593671570 1038232083 /nfs/dbraw/zinc/23/20/83/1038232083.db2.gz KUOBRBHUXVZHCZ-LCYFTJDESA-N 1 0 322.355 4.119 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599082509 1038234371 /nfs/dbraw/zinc/23/43/71/1038234371.db2.gz YANRLHMKRCAKMW-CYBMUJFWSA-N 1 0 312.360 4.243 20 5 DIBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610710616 1038268090 /nfs/dbraw/zinc/26/80/90/1038268090.db2.gz ANGVVCLQEPHDBE-ZDUSSCGKSA-N 1 0 317.389 4.137 20 5 DIBDRO Cc1c(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603836893 1038292076 /nfs/dbraw/zinc/29/20/76/1038292076.db2.gz BWKVRFVEECRGKL-CYBMUJFWSA-N 1 0 302.349 4.235 20 5 DIBDRO COc1ccc(C[N@H+](CC2CCCCC2)C2CC2)cc1[N+](=O)[O-] ZINC000603859477 1038304938 /nfs/dbraw/zinc/30/49/38/1038304938.db2.gz AWGLYEDCJIEZGL-UHFFFAOYSA-N 1 0 318.417 4.148 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603839957 1038305550 /nfs/dbraw/zinc/30/55/50/1038305550.db2.gz IRDAYFSFXUVFNH-SFHVURJKSA-N 1 0 314.360 4.379 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000603868448 1038309947 /nfs/dbraw/zinc/30/99/47/1038309947.db2.gz MVBUNEKNDNJVJH-KRWDZBQOSA-N 1 0 300.333 4.071 20 5 DIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000603897064 1038315916 /nfs/dbraw/zinc/31/59/16/1038315916.db2.gz PYGIFTVIDWKCIC-IBGZPJMESA-N 1 0 310.397 4.283 20 5 DIBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1Cl ZINC000171079584 1038319565 /nfs/dbraw/zinc/31/95/65/1038319565.db2.gz FKFUEPGQDCBDHP-UHFFFAOYSA-N 1 0 319.792 4.054 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccn1 ZINC000610810454 1038352127 /nfs/dbraw/zinc/35/21/27/1038352127.db2.gz LJBTYUPVSOROCS-YOEHRIQHSA-N 1 0 313.401 4.490 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000610806631 1038352983 /nfs/dbraw/zinc/35/29/83/1038352983.db2.gz WWVQPNPSIVQUGZ-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO COCCOCCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000061557076 1038408329 /nfs/dbraw/zinc/40/83/29/1038408329.db2.gz RGXNPASCMYSFEJ-UHFFFAOYSA-N 1 0 323.436 4.136 20 5 DIBDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000320330468 1038464577 /nfs/dbraw/zinc/46/45/77/1038464577.db2.gz YJJNKTNXOJURHF-CQSZACIVSA-N 1 0 314.385 4.234 20 5 DIBDRO COCC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342288107 1038518417 /nfs/dbraw/zinc/51/84/17/1038518417.db2.gz YQDKIXZYIZPUHR-RHSMWYFYSA-N 1 0 314.385 4.023 20 5 DIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000071954778 1038536881 /nfs/dbraw/zinc/53/68/81/1038536881.db2.gz LRGFCZLCPSKLQV-UHFFFAOYSA-N 1 0 313.401 4.047 20 5 DIBDRO Cc1cccnc1[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000934293082 1038583952 /nfs/dbraw/zinc/58/39/52/1038583952.db2.gz UMXINXQEGROURP-KRWDZBQOSA-N 1 0 313.401 4.175 20 5 DIBDRO CCSCC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000539823534 1038590865 /nfs/dbraw/zinc/59/08/65/1038590865.db2.gz FDLRZQXRASHDSQ-RCQQVGEISA-N 1 0 308.447 4.072 20 5 DIBDRO CCC(CC)[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC001167562816 1038631441 /nfs/dbraw/zinc/63/14/41/1038631441.db2.gz QUGCCZOPIUUWTA-UHFFFAOYSA-N 1 0 308.422 4.250 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000288888777 1038701291 /nfs/dbraw/zinc/70/12/91/1038701291.db2.gz ASDPZTCEZUZHQO-KRWDZBQOSA-N 1 0 321.380 4.243 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC=CCC3)o2)c(Cl)c1 ZINC000611521150 1038774013 /nfs/dbraw/zinc/77/40/13/1038774013.db2.gz HJARFZCLABIKKM-UHFFFAOYSA-N 1 0 318.760 4.270 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CCCC2)o1 ZINC000608836756 1038928517 /nfs/dbraw/zinc/92/85/17/1038928517.db2.gz KNRWRJREDUKKNO-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO CC(C)(C)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000608836634 1038928587 /nfs/dbraw/zinc/92/85/87/1038928587.db2.gz ALKIVRIPMVHCBE-UHFFFAOYSA-N 1 0 302.374 4.381 20 5 DIBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001167620843 1038949802 /nfs/dbraw/zinc/94/98/02/1038949802.db2.gz RHEZNFLOGOSNGH-CRAIPNDOSA-N 1 0 310.397 4.048 20 5 DIBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC(F)(F)CC1 ZINC000612192068 1038971795 /nfs/dbraw/zinc/97/17/95/1038971795.db2.gz UATQYADZXAQDOW-UHFFFAOYSA-N 1 0 318.751 4.306 20 5 DIBDRO Cc1ccc(CN[C@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000061556180 1039112166 /nfs/dbraw/zinc/11/21/66/1039112166.db2.gz OMXHPUMMZKBPKC-IBGZPJMESA-N 1 0 322.364 4.375 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283227351 1039213201 /nfs/dbraw/zinc/21/32/01/1039213201.db2.gz TYWWBPRTRBGEAS-SFHVURJKSA-N 1 0 314.360 4.283 20 5 DIBDRO CSc1ccccc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000442761406 1039223409 /nfs/dbraw/zinc/22/34/09/1039223409.db2.gz BWYFCADSSUNOSQ-ZDUSSCGKSA-N 1 0 316.426 4.210 20 5 DIBDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000152770645 1039243328 /nfs/dbraw/zinc/24/33/28/1039243328.db2.gz XHYDXYGQPYIDGS-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089896903 1039283393 /nfs/dbraw/zinc/28/33/93/1039283393.db2.gz IEPPWZFXJXTHQJ-BETUJISGSA-N 1 0 315.373 4.013 20 5 DIBDRO Cc1ccc(CC[C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000539519292 1039283966 /nfs/dbraw/zinc/28/39/66/1039283966.db2.gz XNAKEHSDVJYSEX-HZRUHFOJSA-N 1 0 314.385 4.120 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000539519294 1039284462 /nfs/dbraw/zinc/28/44/62/1039284462.db2.gz XNAKEHSDVJYSEX-VSKVDJIOSA-N 1 0 314.385 4.120 20 5 DIBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572967584 1039353384 /nfs/dbraw/zinc/35/33/84/1039353384.db2.gz LXZGPNBXWZYZQW-ZJUUUORDSA-N 1 0 304.312 4.138 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052454731 1039386515 /nfs/dbraw/zinc/38/65/15/1039386515.db2.gz ZAMUBAISFBCUPB-INIZCTEOSA-N 1 0 300.333 4.071 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000595102244 1039388721 /nfs/dbraw/zinc/38/87/21/1039388721.db2.gz DIFJIQMNOKVYLM-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO CCC(CC)[C@@H](CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000540146547 1039425647 /nfs/dbraw/zinc/42/56/47/1039425647.db2.gz ICUXNRSHBRCWJT-CXAGYDPISA-N 1 0 308.422 4.087 20 5 DIBDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540147406 1039426954 /nfs/dbraw/zinc/42/69/54/1039426954.db2.gz RAPZTUNKXLLPRZ-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cccc1[N+](=O)[O-] ZINC000540160059 1039429090 /nfs/dbraw/zinc/42/90/90/1039429090.db2.gz SBADQSKUJJYAIL-NTCOEUGSSA-N 1 0 322.408 4.140 20 5 DIBDRO CC[C@H]([NH2+]CCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000540150189 1039432336 /nfs/dbraw/zinc/43/23/36/1039432336.db2.gz CGVOEKYCRGLJTN-INIZCTEOSA-N 1 0 304.415 4.330 20 5 DIBDRO CC[C@H](CSC)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000540392878 1039487029 /nfs/dbraw/zinc/48/70/29/1039487029.db2.gz CLKRAXBQGZSFKC-BMFZPTHFSA-N 1 0 322.474 4.037 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000540610301 1039528046 /nfs/dbraw/zinc/52/80/46/1039528046.db2.gz PXWPZMJGYJEJMN-KOLCDFICSA-N 1 0 322.352 4.115 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000540778889 1039568167 /nfs/dbraw/zinc/56/81/67/1039568167.db2.gz POSOXMBUPVCVDL-ARFHVFGLSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480247770 1039601630 /nfs/dbraw/zinc/60/16/30/1039601630.db2.gz MYUNFJYGHLQJHA-MEDUHNTESA-N 1 0 302.399 4.458 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cccc([N+](=O)[O-])c1 ZINC000081181375 1039702377 /nfs/dbraw/zinc/70/23/77/1039702377.db2.gz DLRNCIRPOHFQBB-PIGZYNQJSA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000541768238 1039744081 /nfs/dbraw/zinc/74/40/81/1039744081.db2.gz GLHDPDSZNGSTNR-WCQYABFASA-N 1 0 319.430 4.122 20 5 DIBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000596096481 1039820375 /nfs/dbraw/zinc/82/03/75/1039820375.db2.gz HXZYKMNOQNTCGS-GFCCVEGCSA-N 1 0 316.323 4.150 20 5 DIBDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000271818395 1039828901 /nfs/dbraw/zinc/82/89/01/1039828901.db2.gz RXGZXWHGSZLHEK-GWCFXTLKSA-N 1 0 317.414 4.088 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000491546980 1039856835 /nfs/dbraw/zinc/85/68/35/1039856835.db2.gz ODNARXFQARFNPL-AWEZNQCLSA-N 1 0 312.360 4.208 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000092856837 1039888001 /nfs/dbraw/zinc/88/80/01/1039888001.db2.gz KCXHVUFFBZMMBM-XIKOKIGWSA-N 1 0 314.360 4.462 20 5 DIBDRO CC(C)([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000492148942 1039924936 /nfs/dbraw/zinc/92/49/36/1039924936.db2.gz CJVNVNXJGUBVKK-UHFFFAOYSA-N 1 0 309.369 4.101 20 5 DIBDRO CC(C)(NCc1cc(Cl)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000492308952 1039948320 /nfs/dbraw/zinc/94/83/20/1039948320.db2.gz CXXUIFHARUUXRA-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO CC(C)([NH2+]C/C=C\c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000492442699 1039962125 /nfs/dbraw/zinc/96/21/25/1039962125.db2.gz PTDJCFSZEPSBIE-WAYWQWQTSA-N 1 0 314.360 4.272 20 5 DIBDRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000272012814 1039963099 /nfs/dbraw/zinc/96/30/99/1039963099.db2.gz MGAIALFNYRSYCG-CQSZACIVSA-N 1 0 313.401 4.138 20 5 DIBDRO CC[C@H](c1ccncc1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179707636 1040522538 /nfs/dbraw/zinc/52/25/38/1040522538.db2.gz YWGLROKDFYXPBX-MRXNPFEDSA-N 1 0 319.792 4.226 20 5 DIBDRO CCc1ccc([C@@H]([NH2+]CCC2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612411620 1040586817 /nfs/dbraw/zinc/58/68/17/1040586817.db2.gz GIWKMNKQJALZCH-SFHVURJKSA-N 1 0 314.385 4.229 20 5 DIBDRO O=[N+]([O-])c1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)cs1 ZINC000065951523 1040619925 /nfs/dbraw/zinc/61/99/25/1040619925.db2.gz HOKBHLKDTOLHFL-MRXNPFEDSA-N 1 0 314.410 4.308 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000612582082 1040643272 /nfs/dbraw/zinc/64/32/72/1040643272.db2.gz SYDXDJDQESXQLU-WCQYABFASA-N 1 0 316.323 4.066 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000235890641 1040719978 /nfs/dbraw/zinc/71/99/78/1040719978.db2.gz OMUOFVCXXKXASB-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000172920315 1040860208 /nfs/dbraw/zinc/86/02/08/1040860208.db2.gz JMSDRYVWHJAVQE-WBMJQRKESA-N 1 0 314.410 4.483 20 5 DIBDRO CCC[C@H]([NH2+]C1CCC(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414306643 1041101091 /nfs/dbraw/zinc/10/10/91/1041101091.db2.gz GMANRSVUZCRFMY-PVARCSIZSA-N 1 0 320.433 4.231 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCC(F)(F)CC1 ZINC000809782405 1041252730 /nfs/dbraw/zinc/25/27/30/1041252730.db2.gz SJAZBBZLYRLNIA-UHFFFAOYSA-N 1 0 318.751 4.258 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC2(CC2)CC1 ZINC000809967629 1041279701 /nfs/dbraw/zinc/27/97/01/1041279701.db2.gz DHFIEDUYBWZFJD-UHFFFAOYSA-N 1 0 315.200 4.278 20 5 DIBDRO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000495188423 1041426070 /nfs/dbraw/zinc/42/60/70/1041426070.db2.gz ARVADWLDKLWVPE-LBPRGKRZSA-N 1 0 322.405 4.249 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000119086016 1041455223 /nfs/dbraw/zinc/45/52/23/1041455223.db2.gz CWBZSAOAABZULW-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC1(F)CCC1 ZINC000811507464 1041533392 /nfs/dbraw/zinc/53/33/92/1041533392.db2.gz CZEGZIDEMPNTCC-UHFFFAOYSA-N 1 0 321.179 4.274 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104706262 1041556979 /nfs/dbraw/zinc/55/69/79/1041556979.db2.gz XCJRDKRYRYNOLR-GOSISDBHSA-N 1 0 314.360 4.365 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CC23CC3)c2ccccc2)c1 ZINC000417330099 1041659022 /nfs/dbraw/zinc/65/90/22/1041659022.db2.gz AGENACRAQYGWAE-SJLPKXTDSA-N 1 0 308.381 4.074 20 5 DIBDRO CC[C@@H]([NH2+]C1CCC(OC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181650737 1041797553 /nfs/dbraw/zinc/79/75/53/1041797553.db2.gz LLSHXBDKTRYWAG-VMWRSERWSA-N 1 0 320.433 4.372 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)cs1 ZINC000110633017 1041804316 /nfs/dbraw/zinc/80/43/16/1041804316.db2.gz OACCNLFNWXBINB-MRXNPFEDSA-N 1 0 316.426 4.254 20 5 DIBDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000815580487 1041965569 /nfs/dbraw/zinc/96/55/69/1041965569.db2.gz LEFAYFIIUPJVMQ-UONOGXRCSA-N 1 0 313.401 4.206 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815586080 1041968401 /nfs/dbraw/zinc/96/84/01/1041968401.db2.gz YPDNBHKOEZIYRL-RDBSUJKOSA-N 1 0 313.401 4.020 20 5 DIBDRO CC(C)c1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815617943 1041975507 /nfs/dbraw/zinc/97/55/07/1041975507.db2.gz YZKBIYCSKNPMBK-CYBMUJFWSA-N 1 0 313.401 4.151 20 5 DIBDRO C[C@@H]([NH3+])CCNc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170889353 1042140628 /nfs/dbraw/zinc/14/06/28/1042140628.db2.gz OCNXWZWFLABENL-CYBMUJFWSA-N 1 0 316.408 4.085 20 5 DIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000121874268 1042157964 /nfs/dbraw/zinc/15/79/64/1042157964.db2.gz RUCVONBFQNYACN-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453070175 1042218994 /nfs/dbraw/zinc/21/89/94/1042218994.db2.gz MUZPTAGYOMIQAB-GJZGRUSLSA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000279069913 1042268515 /nfs/dbraw/zinc/26/85/15/1042268515.db2.gz LOZFMDKFMLEVTC-PXAZEXFGSA-N 1 0 311.385 4.063 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000822822143 1042303225 /nfs/dbraw/zinc/30/32/25/1042303225.db2.gz FOCBZKWJEYWQGG-PWSUYJOCSA-N 1 0 317.216 4.138 20 5 DIBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001171019853 1042327217 /nfs/dbraw/zinc/32/72/17/1042327217.db2.gz XRNUWANITMOLBX-HOTGVXAUSA-N 1 0 316.426 4.424 20 5 DIBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614187235 1042424886 /nfs/dbraw/zinc/42/48/86/1042424886.db2.gz QSNKNPFHHZETHG-GXTWGEPZSA-N 1 0 317.389 4.185 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000182332067 1042496821 /nfs/dbraw/zinc/49/68/21/1042496821.db2.gz PTKWGKWAGVWCFV-KRWDZBQOSA-N 1 0 314.385 4.234 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000513467133 1042544628 /nfs/dbraw/zinc/54/46/28/1042544628.db2.gz QIJAWDCIMRDHRG-MRXNPFEDSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1c(C[NH2+][C@@H](CC(F)F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000420994711 1042619706 /nfs/dbraw/zinc/61/97/06/1042619706.db2.gz NNYKQELRWQRAJF-HNNXBMFYSA-N 1 0 320.339 4.389 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000421848357 1042660491 /nfs/dbraw/zinc/66/04/91/1042660491.db2.gz ADWCLEJZXYMJKH-HOCLYGCPSA-N 1 0 320.458 4.169 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000421848351 1042660498 /nfs/dbraw/zinc/66/04/98/1042660498.db2.gz ADWCLEJZXYMJKH-GDBMZVCRSA-N 1 0 320.458 4.169 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3[nH]ccc32)c(Cl)c1 ZINC000183809497 1042678430 /nfs/dbraw/zinc/67/84/30/1042678430.db2.gz BRSIMSBNOVUIIW-UHFFFAOYSA-N 1 0 315.760 4.019 20 5 DIBDRO Cc1oc2ccccc2c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000183918008 1042684306 /nfs/dbraw/zinc/68/43/06/1042684306.db2.gz BMRKUQGKWXVFDF-UHFFFAOYSA-N 1 0 310.353 4.248 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000513856851 1042759334 /nfs/dbraw/zinc/75/93/34/1042759334.db2.gz CJPYAEYWOWQWNQ-PXAZEXFGSA-N 1 0 314.360 4.380 20 5 DIBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000514184800 1042771939 /nfs/dbraw/zinc/77/19/39/1042771939.db2.gz ZERMNAGVYXJHRQ-IBGZPJMESA-N 1 0 310.397 4.110 20 5 DIBDRO CCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000515238614 1042813934 /nfs/dbraw/zinc/81/39/34/1042813934.db2.gz TZCRVXLHDXOGSH-JTQLQIEISA-N 1 0 304.312 4.234 20 5 DIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000515503102 1042824373 /nfs/dbraw/zinc/82/43/73/1042824373.db2.gz UTQGMKBBDRYJRT-MRXNPFEDSA-N 1 0 318.417 4.148 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1csc(C)c1C ZINC000601291641 1042849156 /nfs/dbraw/zinc/84/91/56/1042849156.db2.gz HQKWKHXISUPEHG-NSHDSACASA-N 1 0 320.414 4.133 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1csc(C)c1C ZINC000601291640 1042849653 /nfs/dbraw/zinc/84/96/53/1042849653.db2.gz HQKWKHXISUPEHG-LLVKDONJSA-N 1 0 320.414 4.133 20 5 DIBDRO Cc1ccc(Sc2ccc(C[NH2+]C3CC3)cc2[N+](=O)[O-])cc1 ZINC000517525473 1042883798 /nfs/dbraw/zinc/88/37/98/1042883798.db2.gz YBLMCQRELJYNNS-UHFFFAOYSA-N 1 0 314.410 4.306 20 5 DIBDRO Cc1oc2ccccc2c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518215188 1042911476 /nfs/dbraw/zinc/91/14/76/1042911476.db2.gz OPLUKLKCBZKGDA-KRWDZBQOSA-N 1 0 322.364 4.427 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cccs1)C1CC1 ZINC000449076715 1042921368 /nfs/dbraw/zinc/92/13/68/1042921368.db2.gz XQHLHLQBKNOOOX-YVEFUNNKSA-N 1 0 316.426 4.328 20 5 DIBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180043 1042936185 /nfs/dbraw/zinc/93/61/85/1042936185.db2.gz GZXWOLHAVHWWSS-ZWKOTPCHSA-N 1 0 308.381 4.168 20 5 DIBDRO CC(C)Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000894656749 1042971253 /nfs/dbraw/zinc/97/12/53/1042971253.db2.gz FOGXYZBPEHCINI-AWEZNQCLSA-N 1 0 313.401 4.039 20 5 DIBDRO Cc1ccccc1C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048872249 1042984203 /nfs/dbraw/zinc/98/42/03/1042984203.db2.gz CEUUAGOAIGFYHI-UHFFFAOYSA-N 1 0 304.777 4.189 20 5 DIBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000049156093 1043134887 /nfs/dbraw/zinc/13/48/87/1043134887.db2.gz PQTANQHIPUHOJQ-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO CC[C@@H](C)C[N@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536349642 1043140030 /nfs/dbraw/zinc/14/00/30/1043140030.db2.gz SVAMUCDVAHBVLA-CYBMUJFWSA-N 1 0 317.389 4.118 20 5 DIBDRO CC[C@H](C)C[N@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536349643 1043140241 /nfs/dbraw/zinc/14/02/41/1043140241.db2.gz SVAMUCDVAHBVLA-ZDUSSCGKSA-N 1 0 317.389 4.118 20 5 DIBDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266841731 1043176268 /nfs/dbraw/zinc/17/62/68/1043176268.db2.gz GYOQPKIIUMUMAD-KBPBESRZSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441536286 1043207854 /nfs/dbraw/zinc/20/78/54/1043207854.db2.gz SWCJMAXUKRSNPB-JKSUJKDBSA-N 1 0 310.397 4.454 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(F)F)nc2)cc1[N+](=O)[O-] ZINC000866541100 1043220994 /nfs/dbraw/zinc/22/09/94/1043220994.db2.gz WNUDKLCHDRNENU-LLVKDONJSA-N 1 0 321.327 4.087 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000866607004 1043231926 /nfs/dbraw/zinc/23/19/26/1043231926.db2.gz MJQNPINDASVUBQ-LERXQTSPSA-N 1 0 314.307 4.143 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1F ZINC000574771239 1043243942 /nfs/dbraw/zinc/24/39/42/1043243942.db2.gz QLRPFSCRVLOJJZ-HWPZZCPQSA-N 1 0 318.323 4.211 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000266887406 1043251961 /nfs/dbraw/zinc/25/19/61/1043251961.db2.gz QIARANFNISSMLJ-QJPTWQEYSA-N 1 0 316.323 4.367 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000192352578 1043270230 /nfs/dbraw/zinc/27/02/30/1043270230.db2.gz ULVWWKCBSAWBAI-SJKOYZFVSA-N 1 0 312.369 4.029 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000192895650 1043278393 /nfs/dbraw/zinc/27/83/93/1043278393.db2.gz RUMBAPLYEFHRPS-QZTJIDSGSA-N 1 0 311.385 4.108 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000268860898 1043339360 /nfs/dbraw/zinc/33/93/60/1043339360.db2.gz BUZZBJDADMLQIT-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000389587131 1043408263 /nfs/dbraw/zinc/40/82/63/1043408263.db2.gz NIMBFXITPYQUIR-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000872018789 1043422352 /nfs/dbraw/zinc/42/23/52/1043422352.db2.gz PLEDZRQGKGXDEI-NWDGAFQWSA-N 1 0 317.414 4.124 20 5 DIBDRO CCC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271524037 1043430233 /nfs/dbraw/zinc/43/02/33/1043430233.db2.gz PVLNLUUJESBWNH-RDJZCZTQSA-N 1 0 318.417 4.127 20 5 DIBDRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872054428 1043437718 /nfs/dbraw/zinc/43/77/18/1043437718.db2.gz VZGXUVSLBRTESY-QWRGUYRKSA-N 1 0 304.312 4.367 20 5 DIBDRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872084466 1043454444 /nfs/dbraw/zinc/45/44/44/1043454444.db2.gz SJRHBIGUISWFFF-CUOATXAZSA-N 1 0 318.751 4.089 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000872086149 1043454538 /nfs/dbraw/zinc/45/45/38/1043454538.db2.gz SPAMUIFRGXKCHN-ZANVPECISA-N 1 0 316.373 4.013 20 5 DIBDRO C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091321 1043456644 /nfs/dbraw/zinc/45/66/44/1043456644.db2.gz GNMSTARYFUBLCC-SECBINFHSA-N 1 0 304.312 4.066 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000872129587 1043471430 /nfs/dbraw/zinc/47/14/30/1043471430.db2.gz QIARANFNISSMLJ-UTUOFQBUSA-N 1 0 316.323 4.367 20 5 DIBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000521827554 1043479818 /nfs/dbraw/zinc/47/98/18/1043479818.db2.gz POEYTQSRXRFJAA-WFASDCNBSA-N 1 0 300.358 4.133 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC(F)(F)C1 ZINC000873198140 1043527468 /nfs/dbraw/zinc/52/74/68/1043527468.db2.gz SNQFBXQHTBTCQZ-UHFFFAOYSA-N 1 0 322.311 4.132 20 5 DIBDRO CC(C)(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001168018611 1043562429 /nfs/dbraw/zinc/56/24/29/1043562429.db2.gz RKAXLWUCBLHXKV-UHFFFAOYSA-N 1 0 312.413 4.438 20 5 DIBDRO CC1=C(c2ccco2)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000558733564 1043582473 /nfs/dbraw/zinc/58/24/73/1043582473.db2.gz HQSCIAOPDZXMLC-CQSZACIVSA-N 1 0 312.369 4.428 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3cccnc31)CCC2 ZINC000927064368 1043679117 /nfs/dbraw/zinc/67/91/17/1043679117.db2.gz SPXDAFLFNUJMKZ-ROUUACIJSA-N 1 0 323.396 4.034 20 5 DIBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(F)F ZINC000895534549 1043699927 /nfs/dbraw/zinc/69/99/27/1043699927.db2.gz JKDNMJHONMTLOL-UHFFFAOYSA-N 1 0 306.740 4.019 20 5 DIBDRO CCc1cccc(Cl)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000474344846 1043742728 /nfs/dbraw/zinc/74/27/28/1043742728.db2.gz MBIDBPGQDUHLSX-UHFFFAOYSA-N 1 0 304.777 4.100 20 5 DIBDRO Cc1c(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000522469953 1043912536 /nfs/dbraw/zinc/91/25/36/1043912536.db2.gz XAQSJBLWICIXGN-KSSFIOAISA-N 1 0 310.397 4.281 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000357706072 1043978879 /nfs/dbraw/zinc/97/88/79/1043978879.db2.gz JSUINDCFWQAWEJ-KRWDZBQOSA-N 1 0 314.360 4.210 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000358327063 1044053952 /nfs/dbraw/zinc/05/39/52/1044053952.db2.gz SXWGSDBQDAWREW-QGZVFWFLSA-N 1 0 314.385 4.153 20 5 DIBDRO COCC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000932176705 1044107801 /nfs/dbraw/zinc/10/78/01/1044107801.db2.gz ABQUAUUSZGCOMG-RDTXWAMCSA-N 1 0 314.385 4.023 20 5 DIBDRO CC(C)N(Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360210477 1044245284 /nfs/dbraw/zinc/24/52/84/1044245284.db2.gz YTTKLSNAEHRBHE-UHFFFAOYSA-N 1 0 319.792 4.054 20 5 DIBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000475155803 1044287448 /nfs/dbraw/zinc/28/74/48/1044287448.db2.gz KVFZOIAMOUAZIZ-KGLIPLIRSA-N 1 0 317.389 4.040 20 5 DIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000523007809 1044297223 /nfs/dbraw/zinc/29/72/23/1044297223.db2.gz XUFWUFUVIVZWIJ-RISCZKNCSA-N 1 0 320.389 4.173 20 5 DIBDRO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186219438 1044306295 /nfs/dbraw/zinc/30/62/95/1044306295.db2.gz CEQXCXQGCDOGRO-RYUDHWBXSA-N 1 0 320.414 4.385 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000564035622 1044331937 /nfs/dbraw/zinc/33/19/37/1044331937.db2.gz UTOGPYRXZUAEKO-OAHLLOKOSA-N 1 0 323.396 4.149 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025938129 1044369514 /nfs/dbraw/zinc/36/95/14/1044369514.db2.gz CNGGMAOTZGYJFC-QGZVFWFLSA-N 1 0 300.333 4.071 20 5 DIBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000106877195 1044372957 /nfs/dbraw/zinc/37/29/57/1044372957.db2.gz NPLQXQCUVQFWKE-GFCCVEGCSA-N 1 0 319.430 4.170 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000361509821 1044413095 /nfs/dbraw/zinc/41/30/95/1044413095.db2.gz DWIIUKUKSRMYJC-HZPDHXFCSA-N 1 0 314.410 4.483 20 5 DIBDRO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000294661626 1044443496 /nfs/dbraw/zinc/44/34/96/1044443496.db2.gz AKIHPPONEJVHDA-AWEZNQCLSA-N 1 0 314.385 4.233 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCc3c2cccc3Cl)cccc1[N+](=O)[O-] ZINC000565867881 1044460956 /nfs/dbraw/zinc/46/09/56/1044460956.db2.gz OGEGHMNIWKNDDA-INIZCTEOSA-N 1 0 316.788 4.334 20 5 DIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001308957225 1044473470 /nfs/dbraw/zinc/47/34/70/1044473470.db2.gz RFSXQHZEYTUVRR-GFCCVEGCSA-N 1 0 314.838 4.012 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444708408 1044612170 /nfs/dbraw/zinc/61/21/70/1044612170.db2.gz QSCUDNFBSPOHGQ-NEPJUHHUSA-N 1 0 316.323 4.239 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886112142 1044618927 /nfs/dbraw/zinc/61/89/27/1044618927.db2.gz QLQFUPIWGCCOLH-MRXNPFEDSA-N 1 0 313.401 4.175 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000037507779 1044712879 /nfs/dbraw/zinc/71/28/79/1044712879.db2.gz VVQOQIFLRPMGJU-INIZCTEOSA-N 1 0 304.777 4.489 20 5 DIBDRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562768 1044782519 /nfs/dbraw/zinc/78/25/19/1044782519.db2.gz OPDWFKPZPPSBAH-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000524305986 1044794243 /nfs/dbraw/zinc/79/42/43/1044794243.db2.gz JPMILFJKAVYERB-KRWDZBQOSA-N 1 0 310.397 4.365 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC000524425139 1044831082 /nfs/dbraw/zinc/83/10/82/1044831082.db2.gz OSWUHLLQVYNURY-LJQANCHMSA-N 1 0 310.397 4.147 20 5 DIBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000524426348 1044838246 /nfs/dbraw/zinc/83/82/46/1044838246.db2.gz JRPABNVQMOTDKF-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000524425751 1044838414 /nfs/dbraw/zinc/83/84/14/1044838414.db2.gz OFMMDYNWODOOHO-UHFFFAOYSA-N 1 0 314.385 4.175 20 5 DIBDRO CC1CCC([N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000524424538 1044839287 /nfs/dbraw/zinc/83/92/87/1044839287.db2.gz VIRVMZLWOVYTLP-UHFFFAOYSA-N 1 0 302.418 4.180 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000445995328 1044870377 /nfs/dbraw/zinc/87/03/77/1044870377.db2.gz SMEDOOPBFAFRGV-WMLDXEAASA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000524595050 1044882580 /nfs/dbraw/zinc/88/25/80/1044882580.db2.gz AFVLUNZJLXJAGM-HIFRSBDPSA-N 1 0 316.426 4.343 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CCC(F)(F)CC1)CCC2 ZINC000337549779 1044918427 /nfs/dbraw/zinc/91/84/27/1044918427.db2.gz NSZMJLFZTFFQQV-INIZCTEOSA-N 1 0 324.371 4.387 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000525121990 1044988024 /nfs/dbraw/zinc/98/80/24/1044988024.db2.gz OIANVQYUSADNFF-CRAIPNDOSA-N 1 0 310.397 4.220 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCC34CCC4)o2)cc1 ZINC000446832410 1045050641 /nfs/dbraw/zinc/05/06/41/1045050641.db2.gz ONGHYLXTWMHNTQ-UHFFFAOYSA-N 1 0 312.369 4.373 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000152983078 1045051488 /nfs/dbraw/zinc/05/14/88/1045051488.db2.gz WXZYPXQPFPIHET-LBPRGKRZSA-N 1 0 320.414 4.214 20 5 DIBDRO Cc1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000158728145 1045059992 /nfs/dbraw/zinc/05/99/92/1045059992.db2.gz OYPGBLXGBBJMFT-SFHVURJKSA-N 1 0 314.360 4.283 20 5 DIBDRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447527624 1045138069 /nfs/dbraw/zinc/13/80/69/1045138069.db2.gz FNTRQHVPIYHATC-YVEFUNNKSA-N 1 0 316.426 4.255 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447575067 1045157091 /nfs/dbraw/zinc/15/70/91/1045157091.db2.gz QBBKVZQXINHOIA-GBLZOACLSA-N 1 0 322.408 4.495 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3ncccc32)cc1[N+](=O)[O-] ZINC000601271831 1045209189 /nfs/dbraw/zinc/20/91/89/1045209189.db2.gz UXBAUTCSUQESPQ-GUYCJALGSA-N 1 0 311.385 4.026 20 5 DIBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000601298662 1045212071 /nfs/dbraw/zinc/21/20/71/1045212071.db2.gz QBGBRVIKTUBQKR-GHMZBOCLSA-N 1 0 305.403 4.080 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CC(C4CCC4)C3)o2)c1 ZINC000578470059 1045245650 /nfs/dbraw/zinc/24/56/50/1045245650.db2.gz MNSVEMSVUHPOHJ-UHFFFAOYSA-N 1 0 312.369 4.087 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000579270051 1045303165 /nfs/dbraw/zinc/30/31/65/1045303165.db2.gz MNHQMGFDULUJIG-ZIAGYGMSSA-N 1 0 313.401 4.272 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC(C3CCC3)C2)o1 ZINC000579577686 1045323861 /nfs/dbraw/zinc/32/38/61/1045323861.db2.gz LWNYSBHEBQZVPP-UHFFFAOYSA-N 1 0 312.369 4.087 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCCC(F)(F)F ZINC000449284814 1045371056 /nfs/dbraw/zinc/37/10/56/1045371056.db2.gz OXAYWDDWQQFNDF-NWDGAFQWSA-N 1 0 318.339 4.237 20 5 DIBDRO CC(F)(F)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449348041 1045379853 /nfs/dbraw/zinc/37/98/53/1045379853.db2.gz AJVQJMPPLNZRME-UHFFFAOYSA-N 1 0 324.327 4.380 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2cc(C3CC3)ccc2F)cc1[N+](=O)[O-] ZINC000449373904 1045384391 /nfs/dbraw/zinc/38/43/91/1045384391.db2.gz VNVTVHPAJYKEQZ-UHFFFAOYSA-N 1 0 314.360 4.210 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449380544 1045387851 /nfs/dbraw/zinc/38/78/51/1045387851.db2.gz WIFRPGMNSULHLP-VSKVDJIOSA-N 1 0 310.344 4.023 20 5 DIBDRO CC(C)c1nc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC001120352736 1045537469 /nfs/dbraw/zinc/53/74/69/1045537469.db2.gz DDRPIWIMPCWUBN-LBPRGKRZSA-N 1 0 319.430 4.068 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000530365705 1045652715 /nfs/dbraw/zinc/65/27/15/1045652715.db2.gz ANIICZZKWGFSFP-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2CCCF)c1 ZINC000800973422 1045673309 /nfs/dbraw/zinc/67/33/09/1045673309.db2.gz FEGJEDGRRKPEHS-IAQYHMDHSA-N 1 0 314.788 4.256 20 5 DIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000801509598 1045726135 /nfs/dbraw/zinc/72/61/35/1045726135.db2.gz SMEUJIAZWDAERP-KRWDZBQOSA-N 1 0 314.360 4.379 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2cccs2)C2CC2)cc1F ZINC000801527926 1045731786 /nfs/dbraw/zinc/73/17/86/1045731786.db2.gz OORXIUJQJFLQAL-HNNXBMFYSA-N 1 0 306.362 4.036 20 5 DIBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cc1 ZINC000801539926 1045733104 /nfs/dbraw/zinc/73/31/04/1045733104.db2.gz QZJPWDJWKOKGIY-MRXNPFEDSA-N 1 0 314.360 4.032 20 5 DIBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801551700 1045740016 /nfs/dbraw/zinc/74/00/16/1045740016.db2.gz ZIXZOSUTHDZRFI-CQSZACIVSA-N 1 0 316.376 4.105 20 5 DIBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452004950 1045763675 /nfs/dbraw/zinc/76/36/75/1045763675.db2.gz IRFNVMHKEUDKNC-LBPRGKRZSA-N 1 0 315.373 4.013 20 5 DIBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452004947 1045764600 /nfs/dbraw/zinc/76/46/00/1045764600.db2.gz IRFNVMHKEUDKNC-GFCCVEGCSA-N 1 0 315.373 4.013 20 5 DIBDRO CC(C)(C)SCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000801936137 1045852536 /nfs/dbraw/zinc/85/25/36/1045852536.db2.gz POKCFWONQRTKQS-UHFFFAOYSA-N 1 0 308.447 4.091 20 5 DIBDRO C[N@H+](Cc1cncnc1)Cc1c2ccccc2cc2ccccc21 ZINC001137669361 1045928197 /nfs/dbraw/zinc/92/81/97/1045928197.db2.gz PHOJWGXTVKWQPK-UHFFFAOYSA-N 1 0 313.404 4.415 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000453318475 1046033942 /nfs/dbraw/zinc/03/39/42/1046033942.db2.gz MEBZCPFOUOBPIS-DAYGRLMNSA-N 1 0 320.433 4.005 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000903247207 1046206365 /nfs/dbraw/zinc/20/63/65/1046206365.db2.gz ZZKRWNAMYIWAAL-GXTWGEPZSA-N 1 0 313.401 4.061 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000903341255 1046252490 /nfs/dbraw/zinc/25/24/90/1046252490.db2.gz WWMLBACWJTVONL-SCLBCKFNSA-N 1 0 311.385 4.100 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000127543355 1046257988 /nfs/dbraw/zinc/25/79/88/1046257988.db2.gz LXVHYYLZWWFKGJ-HUUCEWRRSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000903427632 1046277321 /nfs/dbraw/zinc/27/73/21/1046277321.db2.gz IAVIBHDZAOEWHC-FZKQIMNGSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000089552417 1046289809 /nfs/dbraw/zinc/28/98/09/1046289809.db2.gz YNMYTORDCVGYFW-PXAZEXFGSA-N 1 0 314.360 4.380 20 5 DIBDRO CC(C)c1ncc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897463953 1046438934 /nfs/dbraw/zinc/43/89/34/1046438934.db2.gz DFJUFOPOHVDLBB-GFCCVEGCSA-N 1 0 319.430 4.068 20 5 DIBDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001648985348 1046440184 /nfs/dbraw/zinc/44/01/84/1046440184.db2.gz COYZDOOYPPKYBZ-QGPMSJSTSA-N 1 0 304.434 4.393 20 5 DIBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001648985349 1046440213 /nfs/dbraw/zinc/44/02/13/1046440213.db2.gz COYZDOOYPPKYBZ-UWWQBHOKSA-N 1 0 304.434 4.393 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001202929929 1046441808 /nfs/dbraw/zinc/44/18/08/1046441808.db2.gz QTIKNYDZIKMIAV-GASCZTMLSA-N 1 0 320.433 4.154 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000729681576 1046575579 /nfs/dbraw/zinc/57/55/79/1046575579.db2.gz GEOJXOCFBVFNGH-GOSISDBHSA-N 1 0 316.448 4.319 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1Cl ZINC000783635649 1046616692 /nfs/dbraw/zinc/61/66/92/1046616692.db2.gz ZCURWZNCGZFEJP-CQSZACIVSA-N 1 0 316.788 4.068 20 5 DIBDRO CCC(C)(C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093279285 1046619070 /nfs/dbraw/zinc/61/90/70/1046619070.db2.gz QLALYOLSBOWEBO-UHFFFAOYSA-N 1 0 319.430 4.339 20 5 DIBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC(F)(F)CC1 ZINC000783664225 1046619389 /nfs/dbraw/zinc/61/93/89/1046619389.db2.gz HCKBBWFGSPFFBL-UHFFFAOYSA-N 1 0 318.751 4.306 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783739987 1046629257 /nfs/dbraw/zinc/62/92/57/1046629257.db2.gz FZJNAJACEZVIJM-LLVKDONJSA-N 1 0 324.730 4.315 20 5 DIBDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000834813995 1046674679 /nfs/dbraw/zinc/67/46/79/1046674679.db2.gz BZPJSMVAEYTJSH-STQMWFEESA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cc1 ZINC000784479010 1046691804 /nfs/dbraw/zinc/69/18/04/1046691804.db2.gz ZQPLZKCBXOUFEU-OAHLLOKOSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000834890485 1046702071 /nfs/dbraw/zinc/70/20/71/1046702071.db2.gz CGVGGSYGYSQRHF-ZWNOBZJWSA-N 1 0 317.216 4.219 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C34CCC(CC3)C4)o2)c1 ZINC000784644342 1046704141 /nfs/dbraw/zinc/70/41/41/1046704141.db2.gz WSOFKTFJVYWYDG-UHFFFAOYSA-N 1 0 312.369 4.277 20 5 DIBDRO CSC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237368953 1046875603 /nfs/dbraw/zinc/87/56/03/1046875603.db2.gz AQRHUVFBDIJIDN-NSHDSACASA-N 1 0 322.455 4.164 20 5 DIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000303740162 1046954312 /nfs/dbraw/zinc/95/43/12/1046954312.db2.gz IECPLDSWHDUZAT-HNNXBMFYSA-N 1 0 312.413 4.275 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000303771379 1046962245 /nfs/dbraw/zinc/96/22/45/1046962245.db2.gz QRUMXDHFEPTXSC-WMZOPIPTSA-N 1 0 324.424 4.324 20 5 DIBDRO CN(Cc1csnn1)Cc1c2ccccc2cc2ccccc21 ZINC001140997327 1046973499 /nfs/dbraw/zinc/97/34/99/1046973499.db2.gz OZDARWYTJSAPMO-UHFFFAOYSA-N 1 0 319.433 4.477 20 5 DIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000303908658 1047002641 /nfs/dbraw/zinc/00/26/41/1047002641.db2.gz UFZABVZYHUXGEF-BBRMVZONSA-N 1 0 314.360 4.112 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000536824240 1047104196 /nfs/dbraw/zinc/10/41/96/1047104196.db2.gz AHSSJESWQWJBBV-ZQIUZPCESA-N 1 0 320.433 4.148 20 5 DIBDRO CCC[C@@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000536835625 1047107010 /nfs/dbraw/zinc/10/70/10/1047107010.db2.gz VDZIRFUYTXHIAT-SJORKVTESA-N 1 0 322.449 4.069 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000536840121 1047107886 /nfs/dbraw/zinc/10/78/86/1047107886.db2.gz RVUPCMCMBCRSPD-OAHLLOKOSA-N 1 0 324.371 4.083 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000536857401 1047113162 /nfs/dbraw/zinc/11/31/62/1047113162.db2.gz KYJYWBGXBRPTOW-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537246295 1047156330 /nfs/dbraw/zinc/15/63/30/1047156330.db2.gz HUEYZBHPZHSRRS-WDEREUQCSA-N 1 0 320.776 4.254 20 5 DIBDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141722553 1047275772 /nfs/dbraw/zinc/27/57/72/1047275772.db2.gz CGEYRJLPEGTTJS-YJBOKZPZSA-N 1 0 305.421 4.196 20 5 DIBDRO OC[C@H]1C[C@@H](F)C[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141723409 1047278492 /nfs/dbraw/zinc/27/84/92/1047278492.db2.gz WRERMFLWEXBOFA-MAUKXSAKSA-N 1 0 323.411 4.145 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCN2CCC1CC2 ZINC001141728363 1047281536 /nfs/dbraw/zinc/28/15/36/1047281536.db2.gz RESOEDQEPYYSEN-UHFFFAOYSA-N 1 0 316.448 4.273 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897748710 1047285546 /nfs/dbraw/zinc/28/55/46/1047285546.db2.gz BCZTVUWXYLTRCY-RODUEFRLSA-N 1 0 318.442 4.014 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1OC ZINC000089513290 1047388883 /nfs/dbraw/zinc/38/88/83/1047388883.db2.gz WGLXGIDUMFZLSH-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000089513343 1047390373 /nfs/dbraw/zinc/39/03/73/1047390373.db2.gz AEWQKWVIFUDRES-SFHVURJKSA-N 1 0 314.385 4.234 20 5 DIBDRO Cc1c(C[NH2+][C@@]2(C)CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000537596167 1047411726 /nfs/dbraw/zinc/41/17/26/1047411726.db2.gz XENQDHOUAVOSJT-IBGZPJMESA-N 1 0 310.397 4.245 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](C4CC4)C3)o2)c1 ZINC000537647288 1047557493 /nfs/dbraw/zinc/55/74/93/1047557493.db2.gz JDNSXJCYXWLYPR-OAHLLOKOSA-N 1 0 312.369 4.087 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C4CC4)C3)o2)cc1 ZINC000537648848 1047562786 /nfs/dbraw/zinc/56/27/86/1047562786.db2.gz MZVNOEFADQLBMB-HNNXBMFYSA-N 1 0 312.369 4.087 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000537978839 1047648760 /nfs/dbraw/zinc/64/87/60/1047648760.db2.gz IUQUNHOGFSLFEX-PJFSTRORSA-N 1 0 310.397 4.487 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000537980247 1047649897 /nfs/dbraw/zinc/64/98/97/1047649897.db2.gz ORUUZGXBNHEBGD-KPZWWZAWSA-N 1 0 314.360 4.380 20 5 DIBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000537986933 1047650856 /nfs/dbraw/zinc/65/08/56/1047650856.db2.gz LMGQVEMWJCFMIJ-AUUYWEPGSA-N 1 0 310.397 4.267 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000538313167 1047668688 /nfs/dbraw/zinc/66/86/88/1047668688.db2.gz MMFDECXKVSYUBH-GPCFVJJQSA-N 1 0 314.410 4.410 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000538727804 1047701686 /nfs/dbraw/zinc/70/16/86/1047701686.db2.gz YLMCYHBCRGMHKQ-OKILXGFUSA-N 1 0 312.369 4.087 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000539055501 1047727951 /nfs/dbraw/zinc/72/79/51/1047727951.db2.gz VCYCQLCZQFKUDE-ZDUSSCGKSA-N 1 0 306.406 4.080 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478504067 1047791182 /nfs/dbraw/zinc/79/11/82/1047791182.db2.gz VEABZSSYXSVHKM-GOSISDBHSA-N 1 0 310.397 4.379 20 5 DIBDRO Cc1ccc2c(c1)C[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC001182780632 1047844707 /nfs/dbraw/zinc/84/47/07/1047844707.db2.gz AXGXOWLBJAXDQH-UHFFFAOYSA-N 1 0 310.397 4.078 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(Nc2ccc3c(c2)C[NH2+]C3)c1Cl ZINC001159472750 1047850573 /nfs/dbraw/zinc/85/05/73/1047850573.db2.gz ROKASXSSUKRIPI-UHFFFAOYSA-N 1 0 324.167 4.248 20 5 DIBDRO Cc1ccc2ncc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC001197646297 1047857577 /nfs/dbraw/zinc/85/75/77/1047857577.db2.gz DAVBMYUGYGZXAX-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000479386934 1047879333 /nfs/dbraw/zinc/87/93/33/1047879333.db2.gz IBLSRSVPJSHVJB-KRWDZBQOSA-N 1 0 320.339 4.360 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC001197958954 1047907464 /nfs/dbraw/zinc/90/74/64/1047907464.db2.gz HCOIUFKTHWZVOU-UHFFFAOYSA-N 1 0 314.360 4.289 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001183345108 1047921841 /nfs/dbraw/zinc/92/18/41/1047921841.db2.gz FEEDALUZTRTCCS-CQSZACIVSA-N 1 0 316.376 4.153 20 5 DIBDRO CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001183345149 1047922942 /nfs/dbraw/zinc/92/29/42/1047922942.db2.gz FVEURGKBBJOMKJ-GOSISDBHSA-N 1 0 312.413 4.323 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000479614508 1047941876 /nfs/dbraw/zinc/94/18/76/1047941876.db2.gz RGFHGDMTFPEQQW-MRXNPFEDSA-N 1 0 316.788 4.068 20 5 DIBDRO Cc1cncc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c1 ZINC001174758445 1047978546 /nfs/dbraw/zinc/97/85/46/1047978546.db2.gz VVQXJWQTCUIIBQ-UHFFFAOYSA-N 1 0 300.365 4.417 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1C(F)(F)F ZINC000479835014 1047980657 /nfs/dbraw/zinc/98/06/57/1047980657.db2.gz YIHOOBOCAFYNGV-UHFFFAOYSA-N 1 0 324.302 4.246 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCc1ccccc1)C1CC1 ZINC000479848001 1047987221 /nfs/dbraw/zinc/98/72/21/1047987221.db2.gz CVNZWHFXABJMTN-LJQANCHMSA-N 1 0 324.424 4.138 20 5 DIBDRO C[C@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC001184045399 1047995305 /nfs/dbraw/zinc/99/53/05/1047995305.db2.gz MDKOVBITASKKRH-HZPDHXFCSA-N 1 0 324.424 4.093 20 5 DIBDRO Cc1cc(C)c2c(c1)CC[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC001198851835 1048013065 /nfs/dbraw/zinc/01/30/65/1048013065.db2.gz LFDJTGXISWITQT-HNNXBMFYSA-N 1 0 310.397 4.331 20 5 DIBDRO CC1(C)C[NH2+]Cc2cc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)ccc21 ZINC001160286916 1048024389 /nfs/dbraw/zinc/02/43/89/1048024389.db2.gz SNBZRCMMIQOBMH-MDZDMXLPSA-N 1 0 323.396 4.058 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H](C)CCc2ccco2)cccc1[N+](=O)[O-] ZINC000480086087 1048048681 /nfs/dbraw/zinc/04/86/81/1048048681.db2.gz WLQGMBWNSXIYCZ-OCCSQVGLSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1ccc2cc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC001199413039 1048065767 /nfs/dbraw/zinc/06/57/67/1048065767.db2.gz KWBAJBVXEDALLO-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000480159603 1048071961 /nfs/dbraw/zinc/07/19/61/1048071961.db2.gz MIMNJDQEENLTDD-MNOVXSKESA-N 1 0 304.312 4.367 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCCOC2CCCCC2)cccc1[N+](=O)[O-] ZINC000480173031 1048077708 /nfs/dbraw/zinc/07/77/08/1048077708.db2.gz XRBIJDGGAPAPQG-HNNXBMFYSA-N 1 0 320.433 4.293 20 5 DIBDRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480247771 1048103943 /nfs/dbraw/zinc/10/39/43/1048103943.db2.gz MYUNFJYGHLQJHA-ZBEGNZNMSA-N 1 0 302.399 4.458 20 5 DIBDRO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480247768 1048103985 /nfs/dbraw/zinc/10/39/85/1048103985.db2.gz MYUNFJYGHLQJHA-BZNIZROVSA-N 1 0 302.399 4.458 20 5 DIBDRO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC001175052530 1048112485 /nfs/dbraw/zinc/11/24/85/1048112485.db2.gz GXNFIRMPJFWMIV-UYWPIULCSA-N 1 0 318.417 4.172 20 5 DIBDRO CC(C)(NCc1ccsc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000480387907 1048137299 /nfs/dbraw/zinc/13/72/99/1048137299.db2.gz OCDRXFRRYKPRMO-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO CCC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001200864257 1048150218 /nfs/dbraw/zinc/15/02/18/1048150218.db2.gz UFFHTQJRFNHZAP-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C2(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000480665406 1048216824 /nfs/dbraw/zinc/21/68/24/1048216824.db2.gz CHKNQNBDEACWNL-OAHLLOKOSA-N 1 0 310.397 4.329 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)cc1 ZINC000555642929 1048413446 /nfs/dbraw/zinc/41/34/46/1048413446.db2.gz DIERDIWGLXAYPT-HDJSIYSDSA-N 1 0 316.788 4.284 20 5 DIBDRO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001175890608 1048475004 /nfs/dbraw/zinc/47/50/04/1048475004.db2.gz GCRIEUXWFXUMEK-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000481951987 1048533421 /nfs/dbraw/zinc/53/34/21/1048533421.db2.gz SRZKKWHILFABIS-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc(OCCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000482048679 1048548860 /nfs/dbraw/zinc/54/88/60/1048548860.db2.gz XUQOMFRDQZYMQN-HNNXBMFYSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1noc(C)c1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001176180820 1048582962 /nfs/dbraw/zinc/58/29/62/1048582962.db2.gz ZISPKZJWBSEZCM-UHFFFAOYSA-N 1 0 304.353 4.319 20 5 DIBDRO CC1([NH+]2CCC2)CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001164282640 1048617144 /nfs/dbraw/zinc/61/71/44/1048617144.db2.gz LEJVNQDVQBSCSQ-UHFFFAOYSA-N 1 0 323.824 4.067 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000482511018 1048624991 /nfs/dbraw/zinc/62/49/91/1048624991.db2.gz OIIVAKVPKHHSHO-BXUZGUMPSA-N 1 0 316.323 4.066 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000482511019 1048626269 /nfs/dbraw/zinc/62/62/69/1048626269.db2.gz OIIVAKVPKHHSHO-FZMZJTMJSA-N 1 0 316.323 4.066 20 5 DIBDRO [NH3+]CCONc1c2ccccc2cc2c3ccccc3ccc21 ZINC001164435857 1048628554 /nfs/dbraw/zinc/62/85/54/1048628554.db2.gz PGZLWRNXGZUOBK-UHFFFAOYSA-N 1 0 302.377 4.448 20 5 DIBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001176356987 1048659250 /nfs/dbraw/zinc/65/92/50/1048659250.db2.gz WQRXHLMYGUAQTR-BEFAXECRSA-N 1 0 310.397 4.363 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483098198 1048732988 /nfs/dbraw/zinc/73/29/88/1048732988.db2.gz OOTRJUQKTIODPC-CJNGLKHVSA-N 1 0 314.360 4.284 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483098197 1048733391 /nfs/dbraw/zinc/73/33/91/1048733391.db2.gz OOTRJUQKTIODPC-BBRMVZONSA-N 1 0 314.360 4.284 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000483126189 1048741435 /nfs/dbraw/zinc/74/14/35/1048741435.db2.gz UHVHHQJFRIWFNH-MRXNPFEDSA-N 1 0 314.360 4.032 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000483619884 1048828129 /nfs/dbraw/zinc/82/81/29/1048828129.db2.gz HFUAXVPQSLFUHO-KGLIPLIRSA-N 1 0 316.426 4.426 20 5 DIBDRO CC(C)CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776604296 1048847533 /nfs/dbraw/zinc/84/75/33/1048847533.db2.gz AXTBMJVAYWFJCH-IRXDYDNUSA-N 1 0 322.449 4.069 20 5 DIBDRO CC1(C)C[C@]1([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000852772689 1048856751 /nfs/dbraw/zinc/85/67/51/1048856751.db2.gz PAXWVGBYDPVCFN-SFHVURJKSA-N 1 0 314.360 4.149 20 5 DIBDRO C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000483841661 1048868615 /nfs/dbraw/zinc/86/86/15/1048868615.db2.gz XBOLCPZNDOVWBU-NWDGAFQWSA-N 1 0 320.339 4.327 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@]34C[C@@H]3CCCC4)o2)c1 ZINC001203369953 1048884644 /nfs/dbraw/zinc/88/46/44/1048884644.db2.gz VXBLLUDAPIZIQM-KSSFIOAISA-N 1 0 312.369 4.277 20 5 DIBDRO Cc1cc(C)c(/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001177416090 1048887796 /nfs/dbraw/zinc/88/77/96/1048887796.db2.gz HZDKIOGRWNSCOE-PLNGDYQASA-N 1 0 310.397 4.323 20 5 DIBDRO CCC[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001191258523 1048895077 /nfs/dbraw/zinc/89/50/77/1048895077.db2.gz NLOWBOGZXLYKLB-QGZVFWFLSA-N 1 0 306.406 4.006 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC001177576325 1048917904 /nfs/dbraw/zinc/91/79/04/1048917904.db2.gz VVOLBHMFJOHONE-IZMZXHESSA-N 1 0 302.418 4.414 20 5 DIBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC001203863296 1049016474 /nfs/dbraw/zinc/01/64/74/1049016474.db2.gz CKWJMXTWLNHVSY-LLVKDONJSA-N 1 0 304.415 4.166 20 5 DIBDRO Cc1cc(C)c(/C=C/C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1C ZINC001178393482 1049025681 /nfs/dbraw/zinc/02/56/81/1049025681.db2.gz PQVSHDWGISISIY-FNORWQNLSA-N 1 0 324.424 4.366 20 5 DIBDRO COc1ccc(C[NH2+]CC[C@H](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC001178497095 1049039667 /nfs/dbraw/zinc/03/96/67/1049039667.db2.gz XKKKJYXOKUGFJE-ZDUSSCGKSA-N 1 0 308.422 4.155 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000776881999 1049091134 /nfs/dbraw/zinc/09/11/34/1049091134.db2.gz DEONWNKLBTWYRH-LZWOXQAQSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC12CCC2 ZINC001192583436 1049117962 /nfs/dbraw/zinc/11/79/62/1049117962.db2.gz AQAAYYRDSYMQLQ-GFCCVEGCSA-N 1 0 308.809 4.260 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C(C)C)C(C)C ZINC001192616019 1049118242 /nfs/dbraw/zinc/11/82/42/1049118242.db2.gz IJBRLRZTMUZBIS-UHFFFAOYSA-N 1 0 308.422 4.152 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C2CC2)cc1 ZINC001204262013 1049123045 /nfs/dbraw/zinc/12/30/45/1049123045.db2.gz UPPJOWBEAQNENB-PXNSSMCTSA-N 1 0 322.408 4.363 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857083107 1049127782 /nfs/dbraw/zinc/12/77/82/1049127782.db2.gz TVHNETMYGVYACF-GHMZBOCLSA-N 1 0 317.216 4.138 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC001179169180 1049140357 /nfs/dbraw/zinc/14/03/57/1049140357.db2.gz SIMJHSGGESCTAI-YQQAZPJKSA-N 1 0 302.418 4.244 20 5 DIBDRO CC(C)(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC001192927979 1049155779 /nfs/dbraw/zinc/15/57/79/1049155779.db2.gz DXYJUOWSVRWSTJ-UHFFFAOYSA-N 1 0 302.418 4.386 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc2scnc2c1)c1ccccc1[N+](=O)[O-] ZINC001179506928 1049176319 /nfs/dbraw/zinc/17/63/19/1049176319.db2.gz MBRMOXPGTKKMGG-NSHDSACASA-N 1 0 313.382 4.055 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001179579159 1049180967 /nfs/dbraw/zinc/18/09/67/1049180967.db2.gz LSDRTUWUJVAGPJ-HNNXBMFYSA-N 1 0 320.433 4.013 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001179686194 1049191763 /nfs/dbraw/zinc/19/17/63/1049191763.db2.gz UKTBBDALIVALCA-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001193372882 1049203488 /nfs/dbraw/zinc/20/34/88/1049203488.db2.gz FSMNBSJTYNKCHE-PTNGSMBKSA-N 1 0 310.397 4.439 20 5 DIBDRO CCC1(CC)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001193430780 1049211192 /nfs/dbraw/zinc/21/11/92/1049211192.db2.gz REMHDCYWACGEPC-UHFFFAOYSA-N 1 0 320.433 4.396 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001193497002 1049215085 /nfs/dbraw/zinc/21/50/85/1049215085.db2.gz JNISXVCTKFFKGN-QAPCUYQASA-N 1 0 320.433 4.168 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000858160186 1049223886 /nfs/dbraw/zinc/22/38/86/1049223886.db2.gz PTHKYOBGKHXSKN-UHFFFAOYSA-N 1 0 300.349 4.064 20 5 DIBDRO CCSCC[C@H](C)[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001179957965 1049248510 /nfs/dbraw/zinc/24/85/10/1049248510.db2.gz UGGXSPORCFIGIH-ZDUSSCGKSA-N 1 0 310.463 4.175 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001180091680 1049263648 /nfs/dbraw/zinc/26/36/48/1049263648.db2.gz DCPQTMSZBCFUNT-KMPOOHAWSA-N 1 0 322.408 4.445 20 5 DIBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001180202904 1049307609 /nfs/dbraw/zinc/30/76/09/1049307609.db2.gz DZRVYKHTVYJFEW-ZWNOBZJWSA-N 1 0 316.323 4.234 20 5 DIBDRO CCC[C@@H](C)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001180275100 1049315580 /nfs/dbraw/zinc/31/55/80/1049315580.db2.gz GWCMHFPAAZOQLP-MRVPVSSYSA-N 1 0 321.240 4.039 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000485747801 1049334754 /nfs/dbraw/zinc/33/47/54/1049334754.db2.gz WEMWJKPMGQIPBI-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001180348816 1049341797 /nfs/dbraw/zinc/34/17/97/1049341797.db2.gz CRZWBFBNCMILAY-LSDHHAIUSA-N 1 0 310.825 4.205 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC2(C1)CCCC2 ZINC001180349655 1049341817 /nfs/dbraw/zinc/34/18/17/1049341817.db2.gz NWUQPUUFKDOXAQ-UHFFFAOYSA-N 1 0 308.809 4.103 20 5 DIBDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001180348815 1049342453 /nfs/dbraw/zinc/34/24/53/1049342453.db2.gz CRZWBFBNCMILAY-HUUCEWRRSA-N 1 0 310.825 4.205 20 5 DIBDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC001180348957 1049343126 /nfs/dbraw/zinc/34/31/26/1049343126.db2.gz HCLAZERVGHXAHD-LALPHHSUSA-N 1 0 310.825 4.205 20 5 DIBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCc2ccccc21 ZINC001194262471 1049350936 /nfs/dbraw/zinc/35/09/36/1049350936.db2.gz MXWHFHWGXVFOBV-QGZVFWFLSA-N 1 0 324.424 4.189 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC34CCC(CC3)C4)C2)cc1 ZINC001194478455 1049380555 /nfs/dbraw/zinc/38/05/55/1049380555.db2.gz WIXVRLBFLJKHEH-URSIVYNOSA-N 1 0 314.429 4.355 20 5 DIBDRO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001180953334 1049422600 /nfs/dbraw/zinc/42/26/00/1049422600.db2.gz PBSYSRYYVIUYRD-NVXWUHKLSA-N 1 0 316.445 4.332 20 5 DIBDRO CC(C)([NH2+]CCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001205291597 1049428498 /nfs/dbraw/zinc/42/84/98/1049428498.db2.gz NAQNLYMGKZWJDJ-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO C[C@@H](CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001181154687 1049448022 /nfs/dbraw/zinc/44/80/22/1049448022.db2.gz SYMKHUHHTCAEQB-INIZCTEOSA-N 1 0 312.413 4.263 20 5 DIBDRO Cc1ncccc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001205376054 1049454431 /nfs/dbraw/zinc/45/44/31/1049454431.db2.gz CCALQLJWIDLEEI-UHFFFAOYSA-N 1 0 300.365 4.417 20 5 DIBDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181267157 1049458322 /nfs/dbraw/zinc/45/83/22/1049458322.db2.gz OEUCSMUQFZNCFQ-STQMWFEESA-N 1 0 318.421 4.022 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC(C)(C)C1 ZINC001205431958 1049469370 /nfs/dbraw/zinc/46/93/70/1049469370.db2.gz XNXKGYRKBUYKFE-ZBFHGGJFSA-N 1 0 304.434 4.474 20 5 DIBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001205633062 1049516090 /nfs/dbraw/zinc/51/60/90/1049516090.db2.gz IGLMRZGCTQKODT-NXEZZACHSA-N 1 0 317.216 4.427 20 5 DIBDRO Cc1c(C[N@@H+]2CCc3ccccc3C2(C)C)cccc1[N+](=O)[O-] ZINC001195385025 1049526339 /nfs/dbraw/zinc/52/63/39/1049526339.db2.gz JLBBWKKANJSPIE-UHFFFAOYSA-N 1 0 310.397 4.197 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC001195612372 1049550498 /nfs/dbraw/zinc/55/04/98/1049550498.db2.gz DURDIKUJONUZDE-LBPRGKRZSA-N 1 0 312.360 4.207 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C(C)C)[C@@H]1C(C)C ZINC001205788555 1049563787 /nfs/dbraw/zinc/56/37/87/1049563787.db2.gz CMAHNZCQLWJANK-QAPCUYQASA-N 1 0 304.434 4.324 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C1CC1)C1CCC1 ZINC001182203805 1049585794 /nfs/dbraw/zinc/58/57/94/1049585794.db2.gz MNHITEJLDOPUFM-ACJLOTCBSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C1CC1)C1CCC1 ZINC001182203806 1049587052 /nfs/dbraw/zinc/58/70/52/1049587052.db2.gz MNHITEJLDOPUFM-FZKQIMNGSA-N 1 0 302.418 4.084 20 5 DIBDRO N[C@H]1CCCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001205932054 1049606560 /nfs/dbraw/zinc/60/65/60/1049606560.db2.gz OKYFRPMNYZGXPD-SFHVURJKSA-N 1 0 304.437 4.306 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CNc1ccc2c[nH+]ccc2c1 ZINC000864030640 1049631328 /nfs/dbraw/zinc/63/13/28/1049631328.db2.gz NUADFHWKTWDIGW-UHFFFAOYSA-N 1 0 313.744 4.409 20 5 DIBDRO CC[N@H+](CCc1cccs1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000488312684 1049633993 /nfs/dbraw/zinc/63/39/93/1049633993.db2.gz RNCMPPIJSFOIII-ZDUSSCGKSA-N 1 0 304.415 4.282 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC001196490458 1049665978 /nfs/dbraw/zinc/66/59/78/1049665978.db2.gz YAIZXEHVCVJSOK-LMRVLLHPSA-N 1 0 308.397 4.471 20 5 DIBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001197240044 1049732257 /nfs/dbraw/zinc/73/22/57/1049732257.db2.gz RYWODKGFISSZFN-QGZVFWFLSA-N 1 0 306.381 4.279 20 5 DIBDRO C[C@H]1c2sccc2CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001197431967 1049752905 /nfs/dbraw/zinc/75/29/05/1049752905.db2.gz MDSBLZHIYJRAKG-JTQLQIEISA-N 1 0 322.817 4.429 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000489854284 1049784479 /nfs/dbraw/zinc/78/44/79/1049784479.db2.gz GJOMGIPMCRXCGZ-HIFRSBDPSA-N 1 0 314.360 4.284 20 5 DIBDRO CC1(C)C[C@]1(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001206753832 1049791802 /nfs/dbraw/zinc/79/18/02/1049791802.db2.gz RPJZMFKYQPKICJ-FQEVSTJZSA-N 1 0 324.424 4.095 20 5 DIBDRO Cc1cccc(CC[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001207152053 1049846599 /nfs/dbraw/zinc/84/65/99/1049846599.db2.gz XWHIZEBZJBOTHO-MRXNPFEDSA-N 1 0 312.413 4.323 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC000491193533 1049891407 /nfs/dbraw/zinc/89/14/07/1049891407.db2.gz AWRAMHKHDSRPCN-QGZVFWFLSA-N 1 0 300.333 4.071 20 5 DIBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000589600752 1050047674 /nfs/dbraw/zinc/04/76/74/1050047674.db2.gz OIAPXVRHUYGIIM-BLLLJJGKSA-N 1 0 319.430 4.068 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC(C3CC3)C2)s1 ZINC000589736893 1050058005 /nfs/dbraw/zinc/05/80/05/1050058005.db2.gz ZUMOFMNNNLMPAU-UHFFFAOYSA-N 1 0 314.410 4.165 20 5 DIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000057364293 1050085746 /nfs/dbraw/zinc/08/57/46/1050085746.db2.gz ULBUGCASLSGGEG-SFHVURJKSA-N 1 0 313.401 4.090 20 5 DIBDRO C[N@H+](Cc1cnc[nH]1)Cc1c2ccccc2cc2ccccc21 ZINC001136871830 1050211095 /nfs/dbraw/zinc/21/10/95/1050211095.db2.gz LOSGUXUHJALFOU-UHFFFAOYSA-N 1 0 301.393 4.348 20 5 DIBDRO Cc1cc2cc3cc(C)c(Nc4ccn(C)n4)cc3[nH+]c2cc1N ZINC001210356822 1050215207 /nfs/dbraw/zinc/21/52/07/1050215207.db2.gz RBIHIYRNJIYIIA-UHFFFAOYSA-N 1 0 317.396 4.064 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)cc1Cl ZINC000824544434 1050225307 /nfs/dbraw/zinc/22/53/07/1050225307.db2.gz XWIFAVQHKQKLSL-NSHDSACASA-N 1 0 318.751 4.163 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000573697554 1050245990 /nfs/dbraw/zinc/24/59/90/1050245990.db2.gz UQGUAXRGLDZRRZ-PXAZEXFGSA-N 1 0 314.360 4.380 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734488140 1050277473 /nfs/dbraw/zinc/27/74/73/1050277473.db2.gz ZLMOEVGNEKBXGO-DZGCQCFKSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000592207778 1050279763 /nfs/dbraw/zinc/27/97/63/1050279763.db2.gz ZKOAGVMQUJLWPE-DDTOSNHZSA-N 1 0 316.323 4.367 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592374655 1050289423 /nfs/dbraw/zinc/28/94/23/1050289423.db2.gz MSPVSMGNNKJDOJ-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000592394472 1050292104 /nfs/dbraw/zinc/29/21/04/1050292104.db2.gz OSJLVFHHNSQNTA-CYBMUJFWSA-N 1 0 314.360 4.464 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000592392492 1050292510 /nfs/dbraw/zinc/29/25/10/1050292510.db2.gz XWBLFVBMMXRVMZ-SMDDNHRTSA-N 1 0 300.349 4.317 20 5 DIBDRO OC[C@H]1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000771928160 1050295414 /nfs/dbraw/zinc/29/54/14/1050295414.db2.gz QBJMGGZYJQQNTF-INIZCTEOSA-N 1 0 305.421 4.197 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(F)F ZINC000592372530 1050364129 /nfs/dbraw/zinc/36/41/29/1050364129.db2.gz HIFBVYGJRQYQIU-NSHDSACASA-N 1 0 324.327 4.236 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C(C)(C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000785608490 1050393794 /nfs/dbraw/zinc/39/37/94/1050393794.db2.gz ZNHHLEGGGSQCAF-UHFFFAOYSA-N 1 0 320.433 4.013 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441402 1050427072 /nfs/dbraw/zinc/42/70/72/1050427072.db2.gz MRLKCSHFHJGCIJ-SWLSCSKDSA-N 1 0 310.344 4.085 20 5 DIBDRO C[C@H](F)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000574394329 1050457441 /nfs/dbraw/zinc/45/74/41/1050457441.db2.gz SIDSSZSETMCBPO-GUYCJALGSA-N 1 0 302.349 4.022 20 5 DIBDRO Cc1cccc(F)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000766215186 1050464221 /nfs/dbraw/zinc/46/42/21/1050464221.db2.gz FUHNQVHJUUTYRK-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO O=[N+]([O-])c1cc(Nc2cccc(C[NH+]3CCCC3)c2)ccc1F ZINC001211192849 1050510453 /nfs/dbraw/zinc/51/04/53/1050510453.db2.gz QSJOHFOQQRZQGF-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO COc1c(C)cccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000594509999 1050525796 /nfs/dbraw/zinc/52/57/96/1050525796.db2.gz MOIQYPJYKJXUJT-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001211289261 1050538941 /nfs/dbraw/zinc/53/89/41/1050538941.db2.gz MRLJRHIEHHNZJS-UHFFFAOYSA-N 1 0 311.385 4.243 20 5 DIBDRO Cc1cccc2[nH]c(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cc21 ZINC000594943887 1050579375 /nfs/dbraw/zinc/57/93/75/1050579375.db2.gz LMUIOZQMXCHWTQ-UHFFFAOYSA-N 1 0 323.396 4.409 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594952353 1050580752 /nfs/dbraw/zinc/58/07/52/1050580752.db2.gz CVIJFNWQKNPAST-CQSZACIVSA-N 1 0 313.401 4.007 20 5 DIBDRO Cc1ccc(CN(C)Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000746666503 1050583343 /nfs/dbraw/zinc/58/33/43/1050583343.db2.gz OQUJASXQGJGDPV-UHFFFAOYSA-N 1 0 310.806 4.250 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595013017 1050586032 /nfs/dbraw/zinc/58/60/32/1050586032.db2.gz ISZKIMKKAHVFGT-GUYCJALGSA-N 1 0 314.385 4.405 20 5 DIBDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746674202 1050587041 /nfs/dbraw/zinc/58/70/41/1050587041.db2.gz OKXXBYIGZDADAP-LLVKDONJSA-N 1 0 316.854 4.212 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)F)nc1 ZINC000595007097 1050592051 /nfs/dbraw/zinc/59/20/51/1050592051.db2.gz JKGQJZUVXNKZNJ-GHMZBOCLSA-N 1 0 321.327 4.339 20 5 DIBDRO CCc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595005556 1050593192 /nfs/dbraw/zinc/59/31/92/1050593192.db2.gz ALBRJIAWUHRQTF-LLVKDONJSA-N 1 0 320.414 4.078 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000595009611 1050593295 /nfs/dbraw/zinc/59/32/95/1050593295.db2.gz YPLKPUCTHQNWAP-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO CSCC1(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000595065908 1050595953 /nfs/dbraw/zinc/59/59/53/1050595953.db2.gz GIKBOULUTOINHQ-CYBMUJFWSA-N 1 0 308.447 4.087 20 5 DIBDRO CSCC1(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000595065941 1050596975 /nfs/dbraw/zinc/59/69/75/1050596975.db2.gz HNTXWGGLQRCNOI-CQSZACIVSA-N 1 0 322.474 4.039 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595089376 1050609994 /nfs/dbraw/zinc/60/99/94/1050609994.db2.gz NYDVLMCBKYIKRP-ROUUACIJSA-N 1 0 312.369 4.029 20 5 DIBDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC(F)F ZINC000595417622 1050631054 /nfs/dbraw/zinc/63/10/54/1050631054.db2.gz BAHSLCMKXVQBEC-NEPJUHHUSA-N 1 0 300.349 4.235 20 5 DIBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC(F)F ZINC000595417627 1050631181 /nfs/dbraw/zinc/63/11/81/1050631181.db2.gz BAHSLCMKXVQBEC-RYUDHWBXSA-N 1 0 300.349 4.235 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000595506272 1050636998 /nfs/dbraw/zinc/63/69/98/1050636998.db2.gz BRQFQPWNBBTUIG-LBPRGKRZSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000595564357 1050639656 /nfs/dbraw/zinc/63/96/56/1050639656.db2.gz ZHDKAHADBLIDDA-SNVBAGLBSA-N 1 0 316.323 4.038 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccco2)CC1 ZINC000595618141 1050652666 /nfs/dbraw/zinc/65/26/66/1050652666.db2.gz MSFPJHFCKWXGET-ZDUSSCGKSA-N 1 0 300.358 4.128 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000227375617 1050665618 /nfs/dbraw/zinc/66/56/18/1050665618.db2.gz RKQPNAZVXLEDMK-DGCLKSJQSA-N 1 0 314.838 4.012 20 5 DIBDRO C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846209933 1050685422 /nfs/dbraw/zinc/68/54/22/1050685422.db2.gz JBWVWILWYNQNFY-ZYHUDNBSSA-N 1 0 317.216 4.219 20 5 DIBDRO C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846209929 1050685752 /nfs/dbraw/zinc/68/57/52/1050685752.db2.gz JBWVWILWYNQNFY-JQWIXIFHSA-N 1 0 317.216 4.219 20 5 DIBDRO C[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846209931 1050686008 /nfs/dbraw/zinc/68/60/08/1050686008.db2.gz JBWVWILWYNQNFY-PWSUYJOCSA-N 1 0 317.216 4.219 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846186200 1050688354 /nfs/dbraw/zinc/68/83/54/1050688354.db2.gz AUDZWRWGKJQNJO-CQDKDKBSSA-N 1 0 314.788 4.259 20 5 DIBDRO CC[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846186276 1050690552 /nfs/dbraw/zinc/69/05/52/1050690552.db2.gz AZNYJOHEVBMFNE-KKUMJFAQSA-N 1 0 314.788 4.340 20 5 DIBDRO CC[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846186289 1050690586 /nfs/dbraw/zinc/69/05/86/1050690586.db2.gz AZNYJOHEVBMFNE-ZNMIVQPWSA-N 1 0 314.788 4.340 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000788645885 1050715048 /nfs/dbraw/zinc/71/50/48/1050715048.db2.gz ZOTCHFSWMKUKQT-SUMWQHHRSA-N 1 0 313.401 4.287 20 5 DIBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)s1 ZINC000788693308 1050726879 /nfs/dbraw/zinc/72/68/79/1050726879.db2.gz RSJQIJXGLHCMAH-MNOVXSKESA-N 1 0 319.430 4.267 20 5 DIBDRO CCC(CC)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)SC ZINC000766276679 1050739746 /nfs/dbraw/zinc/73/97/46/1050739746.db2.gz JGWRCUXBWHAGOV-ZDUSSCGKSA-N 1 0 310.463 4.476 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000302736251 1050852037 /nfs/dbraw/zinc/85/20/37/1050852037.db2.gz DXMXKELMMIWEAH-GFCCVEGCSA-N 1 0 304.777 4.441 20 5 DIBDRO OC1(CC[NH2+]Cc2c3ccccc3cc3ccccc32)CCC1 ZINC000790636925 1050981112 /nfs/dbraw/zinc/98/11/12/1050981112.db2.gz BACAAWQSSAFXBG-UHFFFAOYSA-N 1 0 305.421 4.388 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CSC(C)(C)C)cc1[N+](=O)[O-] ZINC000773046468 1051038189 /nfs/dbraw/zinc/03/81/89/1051038189.db2.gz LWQSFTHKPAIAFQ-STQMWFEESA-N 1 0 310.463 4.474 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000743864591 1051081832 /nfs/dbraw/zinc/08/18/32/1051081832.db2.gz MSKNSOAOIZPQDM-UHFFFAOYSA-N 1 0 318.417 4.148 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171461143 1051142490 /nfs/dbraw/zinc/14/24/90/1051142490.db2.gz ZOBGCGWTMSGAFX-FUHWJXTLSA-N 1 0 316.445 4.286 20 5 DIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170305359 1051178885 /nfs/dbraw/zinc/17/88/85/1051178885.db2.gz JPAGEPOXBKQWRJ-ZIAGYGMSSA-N 1 0 320.433 4.093 20 5 DIBDRO COc1ccc(C[C@@H](C)[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170352786 1051187039 /nfs/dbraw/zinc/18/70/39/1051187039.db2.gz QGDQHWDQKGAWBN-CQSZACIVSA-N 1 0 320.433 4.047 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC001171853942 1051233694 /nfs/dbraw/zinc/23/36/94/1051233694.db2.gz RNJIODOOCGTMCO-IQUTYRLHSA-N 1 0 310.397 4.282 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000746049232 1051311603 /nfs/dbraw/zinc/31/16/03/1051311603.db2.gz NGHBSCSJDBAYND-OLZOCXBDSA-N 1 0 302.349 4.188 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC001168977493 1051475305 /nfs/dbraw/zinc/47/53/05/1051475305.db2.gz KGYSIXIXNXLHMN-RBZYPMLTSA-N 1 0 317.216 4.089 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168956600 1051478928 /nfs/dbraw/zinc/47/89/28/1051478928.db2.gz BYXLMQBVCLUKAR-UMNHJUIQSA-N 1 0 317.216 4.089 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168956598 1051479005 /nfs/dbraw/zinc/47/90/05/1051479005.db2.gz BYXLMQBVCLUKAR-NHCYSSNCSA-N 1 0 317.216 4.089 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC001168957832 1051479373 /nfs/dbraw/zinc/47/93/73/1051479373.db2.gz JFKPRVWUIALASK-RLLQIKCJSA-N 1 0 324.424 4.005 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CC2CCC2)c2ccc(F)cc2)C1 ZINC001168998027 1051484990 /nfs/dbraw/zinc/48/49/90/1051484990.db2.gz HJEDHNQYPAZQGM-FHLIZLRMSA-N 1 0 320.408 4.092 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CCC2)c2cccc(F)c2)C1 ZINC001168998428 1051485127 /nfs/dbraw/zinc/48/51/27/1051485127.db2.gz MZODKEGVOHOVBB-JLSDUUJJSA-N 1 0 320.408 4.092 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001169037466 1051493641 /nfs/dbraw/zinc/49/36/41/1051493641.db2.gz RXKYOKWPIDVGAB-WOJBJXKFSA-N 1 0 324.424 4.134 20 5 DIBDRO C[C@H](c1cccc2ccccc21)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169045782 1051495885 /nfs/dbraw/zinc/49/58/85/1051495885.db2.gz JZAIFCOMEQUNCX-INMHGKMJSA-N 1 0 312.413 4.278 20 5 DIBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897960 1051549824 /nfs/dbraw/zinc/54/98/24/1051549824.db2.gz GIQQVHVKWZCQGA-SKDZVZGDSA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCCCCC1)CC2 ZINC001172897994 1051550335 /nfs/dbraw/zinc/55/03/35/1051550335.db2.gz HEAYKOZYLSTDKG-KRWDZBQOSA-N 1 0 302.418 4.155 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCc3ccccc31)CC2 ZINC001172900740 1051551936 /nfs/dbraw/zinc/55/19/36/1051551936.db2.gz ZBQZWOUERKHYJO-XLIONFOSSA-N 1 0 322.408 4.119 20 5 DIBDRO CC1(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCC1 ZINC001172896098 1051568009 /nfs/dbraw/zinc/56/80/09/1051568009.db2.gz LLUJOIDIFKSOAH-MRXNPFEDSA-N 1 0 302.418 4.012 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(F)CCCCC1)CC2 ZINC001172895464 1051568469 /nfs/dbraw/zinc/56/84/69/1051568469.db2.gz DVJHGTMMIRDJOL-INIZCTEOSA-N 1 0 320.408 4.104 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCCC1(F)F)CC2 ZINC001172913634 1051568858 /nfs/dbraw/zinc/56/88/58/1051568858.db2.gz YBODSXXGMJEAOZ-GOEBONIOSA-N 1 0 324.371 4.010 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCCC1(F)F)CC2 ZINC001172913636 1051569004 /nfs/dbraw/zinc/56/90/04/1051569004.db2.gz YBODSXXGMJEAOZ-ZBFHGGJFSA-N 1 0 324.371 4.010 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccs1 ZINC001172895632 1051569372 /nfs/dbraw/zinc/56/93/72/1051569372.db2.gz GSDQIMFMBVHFGY-IUODEOHRSA-N 1 0 316.426 4.255 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)CC2 ZINC001172910795 1051580006 /nfs/dbraw/zinc/58/00/06/1051580006.db2.gz DEXWJINAOGEEFL-LSDHHAIUSA-N 1 0 324.371 4.010 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCC13CCC3)CC2 ZINC001172909619 1051580756 /nfs/dbraw/zinc/58/07/56/1051580756.db2.gz UBKDQIYRSQZPDQ-SJLPKXTDSA-N 1 0 314.429 4.155 20 5 DIBDRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911208 1051580867 /nfs/dbraw/zinc/58/08/67/1051580867.db2.gz HMRGVVYAOWTPMY-KBRIMQKVSA-N 1 0 302.418 4.011 20 5 DIBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761513791 1051585521 /nfs/dbraw/zinc/58/55/21/1051585521.db2.gz GBEJZNCXXRVKNW-NSHDSACASA-N 1 0 316.854 4.212 20 5 DIBDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761520637 1051587377 /nfs/dbraw/zinc/58/73/77/1051587377.db2.gz CWASKGIWRKJLAE-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001169364177 1051589625 /nfs/dbraw/zinc/58/96/25/1051589625.db2.gz CHMALBLKSJFMLJ-SJLPKXTDSA-N 1 0 310.397 4.096 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000761532254 1051589542 /nfs/dbraw/zinc/58/95/42/1051589542.db2.gz DBBYUZHCXYUSME-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)s1 ZINC001173215605 1051633121 /nfs/dbraw/zinc/63/31/21/1051633121.db2.gz XICVGXFESATSTG-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001173216633 1051634359 /nfs/dbraw/zinc/63/43/59/1051634359.db2.gz DQQOVQZNRXLZHR-FZKQIMNGSA-N 1 0 316.376 4.406 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001173218756 1051634604 /nfs/dbraw/zinc/63/46/04/1051634604.db2.gz LPCVKJFNXFHTLI-HOTGVXAUSA-N 1 0 312.413 4.493 20 5 DIBDRO Cc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219289 1051636726 /nfs/dbraw/zinc/63/67/26/1051636726.db2.gz AMQGMBDFDUIBIC-KGLIPLIRSA-N 1 0 316.376 4.324 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001173220651 1051636931 /nfs/dbraw/zinc/63/69/31/1051636931.db2.gz DQUPOAWBEMLJCE-IUODEOHRSA-N 1 0 324.371 4.083 20 5 DIBDRO CC[N@H+](Cc1cccc(F)c1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231407 1051639328 /nfs/dbraw/zinc/63/93/28/1051639328.db2.gz CGSPINVLDPEICS-CQSZACIVSA-N 1 0 316.376 4.187 20 5 DIBDRO CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232475 1051641840 /nfs/dbraw/zinc/64/18/40/1051641840.db2.gz GZNRQTFNYVZGAC-AWEZNQCLSA-N 1 0 316.376 4.187 20 5 DIBDRO Cc1ccc(C(C)(C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234115 1051641870 /nfs/dbraw/zinc/64/18/70/1051641870.db2.gz MXULACLPTNWYTN-HNNXBMFYSA-N 1 0 312.413 4.359 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2CC)ccc1[N+](=O)[O-] ZINC001169557766 1051644282 /nfs/dbraw/zinc/64/42/82/1051644282.db2.gz ZNRKVSNUBJXSDR-HUUCEWRRSA-N 1 0 306.406 4.052 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001173209556 1051648093 /nfs/dbraw/zinc/64/80/93/1051648093.db2.gz CZWIHDTWYFJFBP-KGLIPLIRSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001173213624 1051648853 /nfs/dbraw/zinc/64/88/53/1051648853.db2.gz JENRJSNMXAHPMM-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccc(CCC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173210783 1051649230 /nfs/dbraw/zinc/64/92/30/1051649230.db2.gz NCMGTZOYZOHFPZ-CYBMUJFWSA-N 1 0 318.442 4.118 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001173212631 1051649454 /nfs/dbraw/zinc/64/94/54/1051649454.db2.gz BSFBUOHURUCBIX-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211139 1051649973 /nfs/dbraw/zinc/64/99/73/1051649973.db2.gz PUXBXYRZGDXAOL-CYBMUJFWSA-N 1 0 323.396 4.120 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001173210364 1051650064 /nfs/dbraw/zinc/65/00/64/1051650064.db2.gz JUHPYFXXDSVHDQ-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220432 1051652080 /nfs/dbraw/zinc/65/20/80/1051652080.db2.gz AHGKOUMMKXQGCV-AUUYWEPGSA-N 1 0 310.397 4.111 20 5 DIBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000805840609 1051688733 /nfs/dbraw/zinc/68/87/33/1051688733.db2.gz UFVSSWOZZQNKEK-UHFFFAOYSA-N 1 0 318.751 4.258 20 5 DIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC(F)(F)CC1 ZINC000805840279 1051689052 /nfs/dbraw/zinc/68/90/52/1051689052.db2.gz OJOPAXCVLTWWSH-UHFFFAOYSA-N 1 0 318.751 4.258 20 5 DIBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000609204413 1051892373 /nfs/dbraw/zinc/89/23/73/1051892373.db2.gz NAVLUSGRXWGPPQ-OLZOCXBDSA-N 1 0 306.406 4.002 20 5 DIBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000609204286 1051893332 /nfs/dbraw/zinc/89/33/32/1051893332.db2.gz DARBXSGNSWGNMO-STQMWFEESA-N 1 0 306.406 4.002 20 5 DIBDRO Cc1ccncc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001174119034 1051976101 /nfs/dbraw/zinc/97/61/01/1051976101.db2.gz WXUJOHNINVPOMD-UHFFFAOYSA-N 1 0 300.365 4.417 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217775108 1052140068 /nfs/dbraw/zinc/14/00/68/1052140068.db2.gz BJLPXPHSFAQSSC-VFNWGFHPSA-N 1 0 320.436 4.293 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217781626 1052141423 /nfs/dbraw/zinc/14/14/23/1052141423.db2.gz MGWRPAZKECQRAD-QVKFZJNVSA-N 1 0 320.436 4.293 20 5 DIBDRO C[C@H]1CC[NH2+]CC[C@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217781630 1052141967 /nfs/dbraw/zinc/14/19/67/1052141967.db2.gz MGWRPAZKECQRAD-YCRPNKLZSA-N 1 0 320.436 4.293 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2COC1CC2(C[NH2+]C2)C1 ZINC001217788563 1052143075 /nfs/dbraw/zinc/14/30/75/1052143075.db2.gz AXVSOCVIMTXPCW-UHFFFAOYSA-N 1 0 303.405 4.262 20 5 DIBDRO F[C@H]1C[NH2+]CC[C@@H]1OCc1c2ccccc2cc2ccccc21 ZINC001217796323 1052144927 /nfs/dbraw/zinc/14/49/27/1052144927.db2.gz YQMMEMYEHFKPGL-PMACEKPBSA-N 1 0 309.384 4.210 20 5 DIBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001217806040 1052146835 /nfs/dbraw/zinc/14/68/35/1052146835.db2.gz OIENTOFAEJAHDE-SFTDATJTSA-N 1 0 318.420 4.047 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000494847984 1052150152 /nfs/dbraw/zinc/15/01/52/1052150152.db2.gz QTAQGPCNTNAOKK-NSHDSACASA-N 1 0 304.312 4.114 20 5 DIBDRO C[C@H]1CC[C@@H](OCc2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001217908029 1052169405 /nfs/dbraw/zinc/16/94/05/1052169405.db2.gz HXHAVNZRUYMROK-LSDHHAIUSA-N 1 0 306.409 4.045 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CO[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217925756 1052171944 /nfs/dbraw/zinc/17/19/44/1052171944.db2.gz VPJVJJDLNUBKJA-HBGVWJBISA-N 1 0 303.405 4.260 20 5 DIBDRO CC1(C)C[C@H](OCc2c3ccccc3nc3ccccc32)CC[NH2+]1 ZINC001217936136 1052173713 /nfs/dbraw/zinc/17/37/13/1052173713.db2.gz KVKYWFSTKTUMCV-OAHLLOKOSA-N 1 0 320.436 4.435 20 5 DIBDRO C[NH2+][C@H]1C[C@@H](Oc2cccc3ccc4c(C)cc(C)nc4c32)C1 ZINC001217958563 1052177912 /nfs/dbraw/zinc/17/79/12/1052177912.db2.gz NDGPUGAZKKZOIC-IYBDPMFKSA-N 1 0 306.409 4.134 20 5 DIBDRO C[NH2+][C@H]1C[C@H](Oc2cccc3ccc4c(C)cc(C)nc4c32)C1 ZINC001217956270 1052178267 /nfs/dbraw/zinc/17/82/67/1052178267.db2.gz NDGPUGAZKKZOIC-WKILWMFISA-N 1 0 306.409 4.134 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1nc2ccccc2c2ccccc21 ZINC001217984165 1052180028 /nfs/dbraw/zinc/18/00/28/1052180028.db2.gz DYSDNWIEQCSUAQ-IFXJQAMLSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1nc2ccccc2c2ccccc21 ZINC001217984159 1052180134 /nfs/dbraw/zinc/18/01/34/1052180134.db2.gz DYSDNWIEQCSUAQ-AUUYWEPGSA-N 1 0 306.409 4.155 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2CCC[NH2+]CC2)c2ccccc12 ZINC001217997008 1052182433 /nfs/dbraw/zinc/18/24/33/1052182433.db2.gz PAWPDFUMMQZQBI-AWEZNQCLSA-N 1 0 307.393 4.220 20 5 DIBDRO C[C@H](Oc1nccc2c3ccccc3ccc21)C1CC[NH2+]CC1 ZINC001218009525 1052185586 /nfs/dbraw/zinc/18/55/86/1052185586.db2.gz KPHZMULFSYEKSJ-AWEZNQCLSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218028490 1052186483 /nfs/dbraw/zinc/18/64/83/1052186483.db2.gz VDKMZGZUIOCYPN-KUHUBIRLSA-N 1 0 306.409 4.155 20 5 DIBDRO F[C@H]1CC[NH2+]CC[C@H]1Oc1c2ccccc2cc2ccccc21 ZINC001218024108 1052186513 /nfs/dbraw/zinc/18/65/13/1052186513.db2.gz LRAXDVROOHUNIB-RBUKOAKNSA-N 1 0 309.384 4.462 20 5 DIBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000495005520 1052195228 /nfs/dbraw/zinc/19/52/28/1052195228.db2.gz CGBLEIBBJCMSHG-KRWDZBQOSA-N 1 0 302.349 4.017 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@@H]3CCC[C@]34CC[NH2+]C4)c12 ZINC001218095843 1052196645 /nfs/dbraw/zinc/19/66/45/1052196645.db2.gz PXGIPJDUIGWOFG-WIYYLYMNSA-N 1 0 318.420 4.299 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2CC[C@@]23CC[NH2+]C3)c2ccccc12 ZINC001218114209 1052198894 /nfs/dbraw/zinc/19/88/94/1052198894.db2.gz ASFQIBTXMZSUBD-NQIIRXRSSA-N 1 0 319.404 4.220 20 5 DIBDRO c1ccc2cc3cc(O[C@H]4C[C@H]5C[NH2+]C[C@H]5C4)ccc3cc2c1 ZINC001218136611 1052201069 /nfs/dbraw/zinc/20/10/69/1052201069.db2.gz WYYNNVLBUZFBPW-CEQLMSFQSA-N 1 0 303.405 4.370 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@@H]3CC[NH2+]C4(CCC4)C3)c12 ZINC001218306506 1052222087 /nfs/dbraw/zinc/22/20/87/1052222087.db2.gz KBBLQTOJZHESKZ-QGZVFWFLSA-N 1 0 318.420 4.442 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4CC[NH2+]C[C@H]4C)c3c2n1 ZINC001218415183 1052237128 /nfs/dbraw/zinc/23/71/28/1052237128.db2.gz BANLOEUJDPIYDG-KDOFPFPSSA-N 1 0 320.436 4.382 20 5 DIBDRO CC1(C)C[C@@H](Oc2nccc3c4ccccc4ccc32)CC[NH2+]1 ZINC001218475281 1052244321 /nfs/dbraw/zinc/24/43/21/1052244321.db2.gz DGKPRVBGVUUEPC-HNNXBMFYSA-N 1 0 306.409 4.297 20 5 DIBDRO CC1(C)C[C@@H](Oc2nc3ccccc3c3ccccc32)CC[NH2+]1 ZINC001218475523 1052245106 /nfs/dbraw/zinc/24/51/06/1052245106.db2.gz MCFSVXUVWWSURC-AWEZNQCLSA-N 1 0 306.409 4.297 20 5 DIBDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000487877786 1052282693 /nfs/dbraw/zinc/28/26/93/1052282693.db2.gz VKCQNIKIDBDHKE-AWEZNQCLSA-N 1 0 314.385 4.187 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CN1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282085 1052473790 /nfs/dbraw/zinc/47/37/90/1052473790.db2.gz FQOUENQIWCSMLH-QFIPXVFZSA-N 1 0 316.448 4.321 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OC(Cl)(Cl)c1ccccc1Cl ZINC001223184323 1052576644 /nfs/dbraw/zinc/57/66/44/1052576644.db2.gz QHEOMEDGFANCHW-SNVBAGLBSA-N 1 0 311.660 4.039 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(/C=C/c2ccccc2)cc1 ZINC001223683154 1052626579 /nfs/dbraw/zinc/62/65/79/1052626579.db2.gz SLMYNCOMLPAQQP-ZGKFYVQTSA-N 1 0 310.461 4.468 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000112017886 1052638507 /nfs/dbraw/zinc/63/85/07/1052638507.db2.gz NTGJLVAABFJXKI-OAHLLOKOSA-N 1 0 304.777 4.489 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCSC(F)(F)F)cc1[N+](=O)[O-] ZINC000916838691 1052657918 /nfs/dbraw/zinc/65/79/18/1052657918.db2.gz RWVIYESRTNLUMT-UHFFFAOYSA-N 1 0 322.352 4.061 20 5 DIBDRO Cc1c(C[NH2+]CCc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000917136935 1052710110 /nfs/dbraw/zinc/71/01/10/1052710110.db2.gz BAGRWPCJQKPBOV-UHFFFAOYSA-N 1 0 320.392 4.389 20 5 DIBDRO COc1ccc2cc([C@@H](C)OCCC[N+](C)(C)C)ccc2c1 ZINC001224624102 1052710612 /nfs/dbraw/zinc/71/06/12/1052710612.db2.gz USXJBDJNYMVIBR-OAHLLOKOSA-N 1 0 302.438 4.022 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1cccc([N+](=O)[O-])c1 ZINC000154610670 1052773402 /nfs/dbraw/zinc/77/34/02/1052773402.db2.gz BJBQJLXWFNLXLF-QGHHPUGFSA-N 1 0 318.323 4.211 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000194619469 1052791630 /nfs/dbraw/zinc/79/16/30/1052791630.db2.gz SYBHLYBQIIPSRX-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000609287655 1052840835 /nfs/dbraw/zinc/84/08/35/1052840835.db2.gz IXIOPSZXGRRFOF-HRCADAONSA-N 1 0 318.417 4.052 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000609288424 1052843274 /nfs/dbraw/zinc/84/32/74/1052843274.db2.gz URYQFEDOBNAMBK-WLPBJKJWSA-N 1 0 308.381 4.194 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000556444707 1052851758 /nfs/dbraw/zinc/85/17/58/1052851758.db2.gz USTCDUOIRFEGSV-RLFYNMQTSA-N 1 0 320.433 4.005 20 5 DIBDRO CC(C)[NH+]1CCC(Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001226446733 1052896697 /nfs/dbraw/zinc/89/66/97/1052896697.db2.gz PMJLZRNEVXUGLS-UHFFFAOYSA-N 1 0 320.433 4.144 20 5 DIBDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000195548088 1052975273 /nfs/dbraw/zinc/97/52/73/1052975273.db2.gz UAFYYQUZGFLVAF-GOSISDBHSA-N 1 0 323.396 4.360 20 5 DIBDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000609709087 1052988484 /nfs/dbraw/zinc/98/84/84/1052988484.db2.gz SYFUHAGYTOCZDT-INIZCTEOSA-N 1 0 318.804 4.359 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000610008609 1053003094 /nfs/dbraw/zinc/00/30/94/1053003094.db2.gz NOBNAUIHBBISKO-QGZVFWFLSA-N 1 0 320.339 4.156 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2c(Cl)cccc2C1 ZINC000610079976 1053006860 /nfs/dbraw/zinc/00/68/60/1053006860.db2.gz RAPIABDMXIYIPN-GFCCVEGCSA-N 1 0 316.788 4.368 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ccccc2)cc1Cl ZINC001227719922 1053009910 /nfs/dbraw/zinc/00/99/10/1053009910.db2.gz NIMBTRKNBQZPDG-AWEZNQCLSA-N 1 0 304.841 4.481 20 5 DIBDRO CCC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801540641 1053027203 /nfs/dbraw/zinc/02/72/03/1053027203.db2.gz VJYARLTWIRGHGL-UHFFFAOYSA-N 1 0 322.405 4.250 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Sc2ccc(O)cc2)cc1 ZINC001228105076 1053044678 /nfs/dbraw/zinc/04/46/78/1053044678.db2.gz YBLMRVBJIBLULI-CQSZACIVSA-O 1 0 318.462 4.017 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1Cc1ccccc1 ZINC001228174904 1053050126 /nfs/dbraw/zinc/05/01/26/1053050126.db2.gz VDTGDBMINQSDTD-OAHLLOKOSA-N 1 0 318.868 4.404 20 5 DIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617220455 1053117811 /nfs/dbraw/zinc/11/78/11/1053117811.db2.gz BEVIRLWPHINCMU-TZMCWYRMSA-N 1 0 317.389 4.185 20 5 DIBDRO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c(F)c1 ZINC001318246171 1053156881 /nfs/dbraw/zinc/15/68/81/1053156881.db2.gz OKVSPBMUGGFNNF-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO Oc1c2ccccc2c(O[C@H]2C[NH+]3CCC2CC3)c2ccccc12 ZINC001229027341 1053228675 /nfs/dbraw/zinc/22/86/75/1053228675.db2.gz RSENRYDQKHTRJL-IBGZPJMESA-N 1 0 319.404 4.172 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC001351988187 1053254590 /nfs/dbraw/zinc/25/45/90/1053254590.db2.gz WQKQZSCMNBKWNW-HJTPGIPUSA-N 1 0 317.414 4.114 20 5 DIBDRO Cc1cccc2c1[nH+]cc(C)c2N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320369590 1053328956 /nfs/dbraw/zinc/32/89/56/1053328956.db2.gz UBVRZEOKZZGDEM-UHFFFAOYSA-N 1 0 319.364 4.280 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([C@@H](C)c2ccc(O)cc2)cc1 ZINC001229578974 1053357613 /nfs/dbraw/zinc/35/76/13/1053357613.db2.gz RUQAZISYFONZJV-HOTGVXAUSA-O 1 0 314.449 4.018 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000182211278 1053368508 /nfs/dbraw/zinc/36/85/08/1053368508.db2.gz VYKQSUMTHZUIBF-CYBMUJFWSA-N 1 0 314.360 4.382 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCC2CC2)o1 ZINC001322088381 1053455921 /nfs/dbraw/zinc/45/59/21/1053455921.db2.gz HFMVGLJCWIANOF-UHFFFAOYSA-N 1 0 320.776 4.398 20 5 DIBDRO C[N@@H+]1CCC[C@H](Oc2nccc3c4ccccc4ccc32)CC1 ZINC001230203277 1053492837 /nfs/dbraw/zinc/49/28/37/1053492837.db2.gz LHRJGUJFNXJWAU-INIZCTEOSA-N 1 0 306.409 4.251 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC(c3ccccc3)C2)c(F)c1 ZINC000619798662 1053561630 /nfs/dbraw/zinc/56/16/30/1053561630.db2.gz MUJFABCUZQLGBZ-UHFFFAOYSA-N 1 0 314.360 4.017 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ccc(F)cc2F)cc1 ZINC001230958715 1053636226 /nfs/dbraw/zinc/63/62/26/1053636226.db2.gz FGDNSCMIMKRXQY-ZDUSSCGKSA-N 1 0 306.376 4.105 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000183479048 1053665967 /nfs/dbraw/zinc/66/59/67/1053665967.db2.gz ASSYZNDAZPHWGP-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3C[C@H]4CCC[C@@H]4C3)nc12 ZINC001232218889 1053994136 /nfs/dbraw/zinc/99/41/36/1053994136.db2.gz ODGVDBQFIQZFRK-IAGOWNOFSA-N 1 0 303.409 4.015 20 5 DIBDRO CCC1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219470 1053996010 /nfs/dbraw/zinc/99/60/10/1053996010.db2.gz UQBATMNEKWXRJN-UHFFFAOYSA-N 1 0 305.425 4.405 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc(C(F)F)c1 ZINC001329941362 1054010350 /nfs/dbraw/zinc/01/03/50/1054010350.db2.gz PSTZCBRMJDASQX-OAHLLOKOSA-N 1 0 318.323 4.310 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCC(F)F ZINC001331966741 1054103938 /nfs/dbraw/zinc/10/39/38/1054103938.db2.gz XSSGTUPATNVYSV-NSHDSACASA-N 1 0 318.389 4.100 20 5 DIBDRO CC(=O)c1cc(Cl)c2ccccc2c1O[C@H](C)C[N+](C)(C)C ZINC001233541158 1054291280 /nfs/dbraw/zinc/29/12/80/1054291280.db2.gz FLSVLAOYBMCSQF-GFCCVEGCSA-N 1 0 320.840 4.169 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cccc(C(F)F)c1 ZINC001338641901 1054312484 /nfs/dbraw/zinc/31/24/84/1054312484.db2.gz PONXXCOTSRKPEM-XBXARRHUSA-N 1 0 318.323 4.335 20 5 DIBDRO CC(C)([NH2+]Cc1cncc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001342571410 1054425128 /nfs/dbraw/zinc/42/51/28/1054425128.db2.gz SKQNPVGDDVTFIJ-UHFFFAOYSA-N 1 0 321.380 4.168 20 5 DIBDRO CN(Cc1c2ccccc2c(Cl)c2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001235738112 1054795867 /nfs/dbraw/zinc/79/58/67/1054795867.db2.gz CIMBNMZHRYFJSA-CQSZACIVSA-N 1 0 324.855 4.440 20 5 DIBDRO CN(Cc1c2ccccc2cc2ccccc21)C[C@H]1CCC[NH2+]1 ZINC001235962669 1054872049 /nfs/dbraw/zinc/87/20/49/1054872049.db2.gz OBOVNTFLDDJOLD-GOSISDBHSA-N 1 0 304.437 4.177 20 5 DIBDRO Clc1c2ccccc2c(CN2C[C@H]3C[NH2+][C@@H]3C2)c2ccccc12 ZINC001236286915 1055050652 /nfs/dbraw/zinc/05/06/52/1055050652.db2.gz UUCXTFPGTJFGFO-BFUOFWGJSA-N 1 0 322.839 4.050 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000765435002 1055389738 /nfs/dbraw/zinc/38/97/38/1055389738.db2.gz ABKUXJAHXIUMGP-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)COc1ccccc1 ZINC000765440749 1055393404 /nfs/dbraw/zinc/39/34/04/1055393404.db2.gz SYCBSVRHSBIFGR-CABCVRRESA-N 1 0 314.385 4.021 20 5 DIBDRO CCC[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001620888563 1055514141 /nfs/dbraw/zinc/51/41/41/1055514141.db2.gz KDNOLIYBMRINAD-SFHVURJKSA-N 1 0 312.413 4.311 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCC2(CCCC2)CC1 ZINC001620920378 1055541875 /nfs/dbraw/zinc/54/18/75/1055541875.db2.gz MVVWYBUMVFPGFA-UHFFFAOYSA-N 1 0 302.418 4.230 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)c(C)c1 ZINC001620705213 1055983049 /nfs/dbraw/zinc/98/30/49/1055983049.db2.gz XFKCTENDNREFBM-MDWZMJQESA-N 1 0 314.360 4.235 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3F)o2)cc1 ZINC001621025658 1055990623 /nfs/dbraw/zinc/99/06/23/1055990623.db2.gz AFTFQHKRDLRPNZ-JKSUJKDBSA-N 1 0 318.348 4.225 20 5 DIBDRO C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC001621055040 1056013360 /nfs/dbraw/zinc/01/33/60/1056013360.db2.gz FWZZLGJKIJRCMF-ZYOFXKKJSA-N 1 0 318.323 4.237 20 5 DIBDRO Cn1ccc(C[NH2+]Cc2c3ccccc3cc3ccccc32)n1 ZINC000765786432 1056081145 /nfs/dbraw/zinc/08/11/45/1056081145.db2.gz GNXIDJUTHJPACL-UHFFFAOYSA-N 1 0 301.393 4.016 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cncs1 ZINC000903309659 1056205914 /nfs/dbraw/zinc/20/59/14/1056205914.db2.gz GEMIODJUAVQTKG-QMTHXVAHSA-N 1 0 317.414 4.125 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(Cl)cs2)cc1 ZINC001620822994 1056297209 /nfs/dbraw/zinc/29/72/09/1056297209.db2.gz ZAHKOUFLWXUMCG-UHFFFAOYSA-N 1 0 324.833 4.422 20 5 DIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001615804474 1056578260 /nfs/dbraw/zinc/57/82/60/1056578260.db2.gz DTOUCILLYKKXSM-CXAGYDPISA-N 1 0 314.360 4.112 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCCC2(F)F)C2CC2)c1 ZINC001615930517 1056596889 /nfs/dbraw/zinc/59/68/89/1056596889.db2.gz BNAPLNYUJYKXIM-CQSZACIVSA-N 1 0 324.371 4.385 20 5 DIBDRO CC(C)CSCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001616477878 1056663274 /nfs/dbraw/zinc/66/32/74/1056663274.db2.gz WGXDAHVFXDITBZ-UHFFFAOYSA-N 1 0 322.474 4.339 20 5 DIBDRO COc1ccc(C[NH+](CC(C)(C)C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC001616920403 1056740555 /nfs/dbraw/zinc/74/05/55/1056740555.db2.gz ASLTXDVNMZVENG-UHFFFAOYSA-N 1 0 322.449 4.498 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001617275954 1056805256 /nfs/dbraw/zinc/80/52/56/1056805256.db2.gz YJWPPTSJJNUEFY-DYVFJYSZSA-N 1 0 308.397 4.428 20 5 DIBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCc2ccccc21 ZINC001617464987 1056837948 /nfs/dbraw/zinc/83/79/48/1056837948.db2.gz MGLUSXNEQDDDTK-GOSISDBHSA-N 1 0 324.424 4.189 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC001617860418 1056892553 /nfs/dbraw/zinc/89/25/53/1056892553.db2.gz ONGAAKWEVNCTKH-UHFFFAOYSA-N 1 0 320.392 4.423 20 5 DIBDRO c1ccc2c(c1)cc(-c1ncc3c(n1)C[NH2+]CC3)c1ccccc21 ZINC001241132993 1056914625 /nfs/dbraw/zinc/91/46/25/1056914625.db2.gz RTUSVTJGOLYAIZ-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO Cc1ccccc1CC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001618160672 1056928107 /nfs/dbraw/zinc/92/81/07/1056928107.db2.gz ZMBVZMMORCPVRI-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO CC[C@H]([NH2+]CCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000314566420 1056937057 /nfs/dbraw/zinc/93/70/57/1056937057.db2.gz XHXWXYFAHKEXQP-KRWDZBQOSA-N 1 0 302.349 4.017 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000079845636 1056952349 /nfs/dbraw/zinc/95/23/49/1056952349.db2.gz XVLQBZJSZUJXJC-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000317079772 1056994906 /nfs/dbraw/zinc/99/49/06/1056994906.db2.gz COLQXHWUQAAAFC-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO CC[C@@H](NCc1csc([N+](=O)[O-])c1)c1cc(F)ccc1OC ZINC000922620787 1057040088 /nfs/dbraw/zinc/04/00/88/1057040088.db2.gz XZIKDOLKBCBVTJ-CYBMUJFWSA-N 1 0 324.377 4.045 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000155889800 1057064230 /nfs/dbraw/zinc/06/42/30/1057064230.db2.gz SQELHILGMRYXNM-MEBBXXQBSA-N 1 0 303.362 4.002 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000155889571 1057064297 /nfs/dbraw/zinc/06/42/97/1057064297.db2.gz SQELHILGMRYXNM-ZUZCIYMTSA-N 1 0 303.362 4.002 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922877949 1057071522 /nfs/dbraw/zinc/07/15/22/1057071522.db2.gz CDKMTKWPVIJPQQ-GPZRYRNASA-N 1 0 323.396 4.060 20 5 DIBDRO CCc1ccccc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000086485752 1057107485 /nfs/dbraw/zinc/10/74/85/1057107485.db2.gz ANUPTAHVXAHKAY-UHFFFAOYSA-N 1 0 304.777 4.100 20 5 DIBDRO CCc1ccc(CC[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC001168742013 1057129831 /nfs/dbraw/zinc/12/98/31/1057129831.db2.gz ZIMMKYWYTPFHCB-LJQANCHMSA-N 1 0 312.413 4.441 20 5 DIBDRO CCC[C@H]([NH2+]CC1(SC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000228016246 1057164949 /nfs/dbraw/zinc/16/49/49/1057164949.db2.gz PDUOFWPARAJEOO-HNNXBMFYSA-N 1 0 308.447 4.311 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000172724841 1057266856 /nfs/dbraw/zinc/26/68/56/1057266856.db2.gz ZJVRIZBYZZVMQE-ZDUSSCGKSA-N 1 0 314.385 4.017 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000172831646 1057269481 /nfs/dbraw/zinc/26/94/81/1057269481.db2.gz NIIZEYBHDKIYBT-SCLBCKFNSA-N 1 0 314.385 4.405 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172974509 1057272108 /nfs/dbraw/zinc/27/21/08/1057272108.db2.gz MYBQOOGHCJHURT-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000175051789 1057380433 /nfs/dbraw/zinc/38/04/33/1057380433.db2.gz KUQJKJWATFIGKK-GOSISDBHSA-N 1 0 321.380 4.384 20 5 DIBDRO CS[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611039372 1057580836 /nfs/dbraw/zinc/58/08/36/1057580836.db2.gz VBVDFFDJXKTUIK-NSHDSACASA-N 1 0 322.455 4.164 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000611336757 1057591486 /nfs/dbraw/zinc/59/14/86/1057591486.db2.gz DFCPJFIQXFNARY-WMLDXEAASA-N 1 0 320.433 4.149 20 5 DIBDRO CC[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336834 1057591546 /nfs/dbraw/zinc/59/15/46/1057591546.db2.gz PFANHQKHVDCOJZ-SJORKVTESA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000611336755 1057591554 /nfs/dbraw/zinc/59/15/54/1057591554.db2.gz DFCPJFIQXFNARY-PBHICJAKSA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000611336817 1057591653 /nfs/dbraw/zinc/59/16/53/1057591653.db2.gz MIKLXFHYFASJDL-WMLDXEAASA-N 1 0 320.433 4.149 20 5 DIBDRO COc1ccc(C)cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611335525 1057591688 /nfs/dbraw/zinc/59/16/88/1057591688.db2.gz RAELOYHSSFPGAU-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1ccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000731360359 1057742397 /nfs/dbraw/zinc/74/23/97/1057742397.db2.gz DIMPBFLNSPWQJV-UHFFFAOYSA-N 1 0 314.360 4.078 20 5 DIBDRO C[C@](O)(C[NH2+]Cc1c2ccccc2cc2ccccc21)C1CC1 ZINC000732670252 1057782826 /nfs/dbraw/zinc/78/28/26/1057782826.db2.gz WSUOITOGCIXOFD-NRFANRHFSA-N 1 0 305.421 4.244 20 5 DIBDRO Cc1cc(NCCCC[N@H+]2CCCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001559071330 1058965587 /nfs/dbraw/zinc/96/55/87/1058965587.db2.gz MQBLUWMFPRCPQT-CQSZACIVSA-N 1 0 323.412 4.109 20 5 DIBDRO CC[N@H+](CCCNc1ccsc1[N+](=O)[O-])C1CCCCC1 ZINC001559229319 1059107000 /nfs/dbraw/zinc/10/70/00/1059107000.db2.gz DXKTWWHKRQWFCW-UHFFFAOYSA-N 1 0 311.451 4.113 20 5 DIBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001559260373 1059126577 /nfs/dbraw/zinc/12/65/77/1059126577.db2.gz MLUCXNPBRFNABS-KRWDZBQOSA-N 1 0 317.433 4.112 20 5 DIBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)ccc1[N+](=O)[O-] ZINC001559260374 1059127419 /nfs/dbraw/zinc/12/74/19/1059127419.db2.gz MLUCXNPBRFNABS-QGZVFWFLSA-N 1 0 317.433 4.112 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001559499389 1059282184 /nfs/dbraw/zinc/28/21/84/1059282184.db2.gz ROLXBSYVXKLLGF-RBVVOMGSSA-N 1 0 324.371 4.097 20 5 DIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC001559569905 1059402904 /nfs/dbraw/zinc/40/29/04/1059402904.db2.gz JGWZHDKPPSHSTG-GOSISDBHSA-N 1 0 312.413 4.356 20 5 DIBDRO CCC(CC)[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)C ZINC001559579268 1059411818 /nfs/dbraw/zinc/41/18/18/1059411818.db2.gz GFYPXZJDZCMYHB-UHFFFAOYSA-N 1 0 308.422 4.120 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559650437 1059477764 /nfs/dbraw/zinc/47/77/64/1059477764.db2.gz DZXPDQGOFMZPSW-MRXNPFEDSA-N 1 0 320.433 4.408 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c(Cl)c1 ZINC001559682872 1059510067 /nfs/dbraw/zinc/51/00/67/1059510067.db2.gz SCPBYMQKIZCHKR-KRWDZBQOSA-N 1 0 316.788 4.489 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001559683537 1059513668 /nfs/dbraw/zinc/51/36/68/1059513668.db2.gz KJFZSDJHAQPKQG-INIZCTEOSA-N 1 0 302.399 4.206 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC001559686802 1059516302 /nfs/dbraw/zinc/51/63/02/1059516302.db2.gz PDKBDRVNKKQSFO-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC001559686401 1059517423 /nfs/dbraw/zinc/51/74/23/1059517423.db2.gz BNTLNSNWWWTQCF-ZDUSSCGKSA-N 1 0 318.804 4.450 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(C)c(F)c1 ZINC001559711175 1059538066 /nfs/dbraw/zinc/53/80/66/1059538066.db2.gz AYPQTRSLAPOMJC-KRWDZBQOSA-N 1 0 320.339 4.422 20 5 DIBDRO CCC[N@H+](CCc1cccs1)CCc1ccc([N+](=O)[O-])cc1 ZINC001559730052 1059561868 /nfs/dbraw/zinc/56/18/68/1059561868.db2.gz UJNXZTNECKWDDN-UHFFFAOYSA-N 1 0 318.442 4.154 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001559775869 1059611418 /nfs/dbraw/zinc/61/14/18/1059611418.db2.gz OQGGPQUWENEUMB-UKRRQHHQSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001559797583 1059631624 /nfs/dbraw/zinc/63/16/24/1059631624.db2.gz UNAPKMMEJJRWSI-APWZRJJASA-N 1 0 324.424 4.324 20 5 DIBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001559797586 1059631963 /nfs/dbraw/zinc/63/19/63/1059631963.db2.gz UNAPKMMEJJRWSI-VQIMIIECSA-N 1 0 324.424 4.324 20 5 DIBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC001559858619 1059679906 /nfs/dbraw/zinc/67/99/06/1059679906.db2.gz FJCGNSJGVNQOPI-QGZVFWFLSA-N 1 0 318.417 4.066 20 5 DIBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001559921150 1059737697 /nfs/dbraw/zinc/73/76/97/1059737697.db2.gz GMEIFVDVRDPKPW-HUUCEWRRSA-N 1 0 308.397 4.381 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC001559992251 1059796060 /nfs/dbraw/zinc/79/60/60/1059796060.db2.gz UUARRBCVONHDOG-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001560093116 1059903838 /nfs/dbraw/zinc/90/38/38/1059903838.db2.gz YPTKYDWDZKPGKP-CYBMUJFWSA-N 1 0 309.369 4.269 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC001560132628 1059933827 /nfs/dbraw/zinc/93/38/27/1059933827.db2.gz BKHAYIQFDOVVOK-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001560257455 1060024497 /nfs/dbraw/zinc/02/44/97/1060024497.db2.gz SNGOLJGBOOZQMP-SFHVURJKSA-N 1 0 312.413 4.433 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)Cc1ccccc1F ZINC001560285778 1060064884 /nfs/dbraw/zinc/06/48/84/1060064884.db2.gz HJAKBGJZLURKEH-CYBMUJFWSA-N 1 0 316.376 4.072 20 5 DIBDRO Cc1cc(C)c(/C=C/C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001560320141 1060106876 /nfs/dbraw/zinc/10/68/76/1060106876.db2.gz OCBKUWOAQHFIKT-SNAWJCMRSA-N 1 0 324.424 4.366 20 5 DIBDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC001560458200 1060251000 /nfs/dbraw/zinc/25/10/00/1060251000.db2.gz GHCRDUPGYJQVDM-NVXWUHKLSA-N 1 0 304.434 4.332 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001560570826 1060380121 /nfs/dbraw/zinc/38/01/21/1060380121.db2.gz WWGSUHMTRNDDQC-VOMSXAGXSA-N 1 0 324.371 4.413 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001560570828 1060382257 /nfs/dbraw/zinc/38/22/57/1060382257.db2.gz WWGSUHMTRNDDQC-WVUXNXBLSA-N 1 0 324.371 4.413 20 5 DIBDRO Cc1scc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC001560603717 1060417190 /nfs/dbraw/zinc/41/71/90/1060417190.db2.gz DYAIZSPIOSMJCP-LLVKDONJSA-N 1 0 304.415 4.166 20 5 DIBDRO C/C(=C\c1ccccc1)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001560603735 1060417434 /nfs/dbraw/zinc/41/74/34/1060417434.db2.gz FFKVMESJWYOVLW-STTHAQSSSA-N 1 0 310.397 4.391 20 5 DIBDRO CC(C)C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC001560638652 1060455663 /nfs/dbraw/zinc/45/56/63/1060455663.db2.gz HBTMHUNBZIQDGJ-UHFFFAOYSA-N 1 0 304.434 4.487 20 5 DIBDRO CC[C@H]1CCC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001560697978 1060549646 /nfs/dbraw/zinc/54/96/46/1060549646.db2.gz WSDHJOFHVAEBDZ-GJZGRUSLSA-N 1 0 302.418 4.169 20 5 DIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3=CCCCCC3)nc2c1 ZINC001560736173 1060603723 /nfs/dbraw/zinc/60/37/23/1060603723.db2.gz NHRSECOQJZNJHI-UHFFFAOYSA-N 1 0 315.373 4.106 20 5 DIBDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CCC1 ZINC001560781931 1060644660 /nfs/dbraw/zinc/64/46/60/1060644660.db2.gz JFFOWXSFLHFNMQ-UHFFFAOYSA-N 1 0 316.323 4.236 20 5 DIBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC001560786730 1060649494 /nfs/dbraw/zinc/64/94/94/1060649494.db2.gz AHQPTOOOVDFKKU-UPJWGTAASA-N 1 0 310.825 4.410 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CCCCC1 ZINC001560864337 1060722293 /nfs/dbraw/zinc/72/22/93/1060722293.db2.gz CNNRUKSKBZMVIC-HNNXBMFYSA-N 1 0 304.434 4.476 20 5 DIBDRO Cc1c(C[N@@H+]2CC3(CCCC3)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001560883658 1060745251 /nfs/dbraw/zinc/74/52/51/1060745251.db2.gz BIGZLHWIUKRGNR-QGZVFWFLSA-N 1 0 302.418 4.304 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC001560894861 1060757163 /nfs/dbraw/zinc/75/71/63/1060757163.db2.gz WYVDRAJXBXXSGU-MHWRWJLKSA-N 1 0 322.408 4.365 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC3CCC2CC3)cc1Cl ZINC001560900103 1060762153 /nfs/dbraw/zinc/76/21/53/1060762153.db2.gz LHTCYHOANOGECQ-UBHUBRDASA-N 1 0 308.809 4.164 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC001560970068 1060835906 /nfs/dbraw/zinc/83/59/06/1060835906.db2.gz JBVHTRILDNKPPL-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO C[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001561027155 1060882061 /nfs/dbraw/zinc/88/20/61/1060882061.db2.gz XCBVHOVTHPPNSY-DVOMOZLQSA-N 1 0 322.474 4.208 20 5 DIBDRO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001462147926 1060966795 /nfs/dbraw/zinc/96/67/95/1060966795.db2.gz KADQTLKFVHDQCX-MAUKXSAKSA-N 1 0 302.418 4.062 20 5 DIBDRO CC(C)CCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001473227272 1061004532 /nfs/dbraw/zinc/00/45/32/1061004532.db2.gz MAKSQMNMRIMGAD-UHFFFAOYSA-N 1 0 320.433 4.122 20 5 DIBDRO Cc1ccc(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001473267136 1061040346 /nfs/dbraw/zinc/04/03/46/1061040346.db2.gz LPPYRISVQQNWJL-UHFFFAOYSA-N 1 0 318.804 4.231 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC001473273202 1061046962 /nfs/dbraw/zinc/04/69/62/1061046962.db2.gz MFQLURHWVXTKDH-HUUCEWRRSA-N 1 0 308.397 4.428 20 5 DIBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC001473279047 1061051697 /nfs/dbraw/zinc/05/16/97/1061051697.db2.gz QXDDWNGYXDMMCK-QGZVFWFLSA-N 1 0 317.433 4.315 20 5 DIBDRO C=Cc1ccc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC001462267344 1061061976 /nfs/dbraw/zinc/06/19/76/1061061976.db2.gz RDSKKXCGYQONSB-INIZCTEOSA-N 1 0 324.424 4.391 20 5 DIBDRO Cc1ccc(C)c(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC001473294290 1061063789 /nfs/dbraw/zinc/06/37/89/1061063789.db2.gz KFRYAEVZPXKDLT-UHFFFAOYSA-N 1 0 310.397 4.376 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1coc2ccccc12 ZINC001462281102 1061077202 /nfs/dbraw/zinc/07/72/02/1061077202.db2.gz UWHYTTQSFFTNFN-AWEZNQCLSA-N 1 0 324.380 4.452 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@H]1C(C)C ZINC001462288597 1061080568 /nfs/dbraw/zinc/08/05/68/1061080568.db2.gz ARGYFWHZDSIBFN-CRPZLVSXSA-N 1 0 302.418 4.365 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001462337374 1061115481 /nfs/dbraw/zinc/11/54/81/1061115481.db2.gz BXJWUJQCIAUKRS-OOXMNIKJSA-N 1 0 300.402 4.120 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C1CCCCCC1 ZINC001473369365 1061115944 /nfs/dbraw/zinc/11/59/44/1061115944.db2.gz PKFMWGZAZPWQOG-CYBMUJFWSA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1c(C[N@@H+](C)CC2(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001473382982 1061124835 /nfs/dbraw/zinc/12/48/35/1061124835.db2.gz DXFBBPITOHPJIX-UHFFFAOYSA-N 1 0 310.397 4.067 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001462355723 1061125175 /nfs/dbraw/zinc/12/51/75/1061125175.db2.gz HTQPQAHZBZYFAQ-KBMXLJTQSA-N 1 0 304.434 4.330 20 5 DIBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473411410 1061145444 /nfs/dbraw/zinc/14/54/44/1061145444.db2.gz ZFFRVFJDWODLMX-BBRMVZONSA-N 1 0 306.406 4.002 20 5 DIBDRO Cc1c(C[N@@H+]2CC3(CC=CC3)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001462395417 1061148017 /nfs/dbraw/zinc/14/80/17/1061148017.db2.gz NHEXGOKWEWWVFI-QGZVFWFLSA-N 1 0 300.402 4.080 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCC3CCC3)C2)cc1 ZINC001473486876 1061187744 /nfs/dbraw/zinc/18/77/44/1061187744.db2.gz STJCNPHTUZFYOK-QGZVFWFLSA-N 1 0 302.418 4.355 20 5 DIBDRO CCC(CC)[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473514687 1061209047 /nfs/dbraw/zinc/20/90/47/1061209047.db2.gz IOIISDLLEYHFHK-UHFFFAOYSA-N 1 0 308.422 4.393 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001462556597 1061259988 /nfs/dbraw/zinc/25/99/88/1061259988.db2.gz MKKVRROJAXHFKK-LALPHHSUSA-N 1 0 308.447 4.166 20 5 DIBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001473576818 1061266366 /nfs/dbraw/zinc/26/63/66/1061266366.db2.gz BQGJNGJNZPSITR-ZFWWWQNUSA-N 1 0 320.408 4.382 20 5 DIBDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001462683542 1061336208 /nfs/dbraw/zinc/33/62/08/1061336208.db2.gz BDHSNPYGKHMKOY-CMPLNLGQSA-N 1 0 303.189 4.036 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001473705758 1061359132 /nfs/dbraw/zinc/35/91/32/1061359132.db2.gz DFVOSWUQVBMVGF-OAHLLOKOSA-N 1 0 308.378 4.210 20 5 DIBDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001473845027 1061431362 /nfs/dbraw/zinc/43/13/62/1061431362.db2.gz DWQVVAHHQMTHJY-OAHLLOKOSA-N 1 0 316.426 4.424 20 5 DIBDRO CCc1ccc2c(c1)CC[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC001473902704 1061452768 /nfs/dbraw/zinc/45/27/68/1061452768.db2.gz VTCBZXBFSXXCIQ-AWEZNQCLSA-N 1 0 310.397 4.277 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cccc(Cl)c1 ZINC001473913783 1061460919 /nfs/dbraw/zinc/46/09/19/1061460919.db2.gz CDZLSIZXLJEXFV-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001473948094 1061490639 /nfs/dbraw/zinc/49/06/39/1061490639.db2.gz JWAOFMVRWYXVOF-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC(C)CC1 ZINC001473958652 1061499715 /nfs/dbraw/zinc/49/97/15/1061499715.db2.gz AZXRXEVGJVQPKG-XNTDXEJSSA-N 1 0 302.418 4.414 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC001473959070 1061501869 /nfs/dbraw/zinc/50/18/69/1061501869.db2.gz JROPIIZRWMVLOS-FPZAFUISSA-N 1 0 302.418 4.414 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC001473959069 1061502040 /nfs/dbraw/zinc/50/20/40/1061502040.db2.gz JROPIIZRWMVLOS-DAJLKQTQSA-N 1 0 302.418 4.414 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001251894754 1061528396 /nfs/dbraw/zinc/52/83/96/1061528396.db2.gz CVHUIOZIZQNSPV-OLZOCXBDSA-N 1 0 308.809 4.260 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cnc(Cl)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001474071998 1061619406 /nfs/dbraw/zinc/61/94/06/1061619406.db2.gz JDEVLLALWMMOHF-OAHLLOKOSA-N 1 0 319.792 4.193 20 5 DIBDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001474081193 1061626246 /nfs/dbraw/zinc/62/62/46/1061626246.db2.gz QRXGTAFZPXPOGF-CYBMUJFWSA-N 1 0 302.374 4.379 20 5 DIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(F)c3ccccc23)c1 ZINC001474098656 1061645507 /nfs/dbraw/zinc/64/55/07/1061645507.db2.gz KCFIQNHFQNKAPQ-UHFFFAOYSA-N 1 0 324.355 4.219 20 5 DIBDRO CC(C)CC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC001474132106 1061679621 /nfs/dbraw/zinc/67/96/21/1061679621.db2.gz YDLJQZUKUMOLJY-DOTOQJQBSA-N 1 0 304.434 4.332 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001474268636 1061836500 /nfs/dbraw/zinc/83/65/00/1061836500.db2.gz CXPJPTGCFAEVTK-ZMSDIMECSA-N 1 0 302.418 4.244 20 5 DIBDRO C[C@@H](C[NH2+]Cc1cccc2ccoc21)c1ccccc1[N+](=O)[O-] ZINC001474282745 1061849089 /nfs/dbraw/zinc/84/90/89/1061849089.db2.gz DCRGOGCVBAJNSH-ZDUSSCGKSA-N 1 0 310.353 4.234 20 5 DIBDRO C[C@H](C[NH2+]Cc1sccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001474282613 1061851362 /nfs/dbraw/zinc/85/13/62/1061851362.db2.gz BSTJAPSKYQAPTF-SNVBAGLBSA-N 1 0 310.806 4.203 20 5 DIBDRO C[C@H](C[NH2+]Cc1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001474283985 1061851970 /nfs/dbraw/zinc/85/19/70/1061851970.db2.gz XSFHEMLFGLBVRC-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO C[C@H](C[NH2+]C/C=C\c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001474283288 1061852933 /nfs/dbraw/zinc/85/29/33/1061852933.db2.gz NPIVCIHGKCSDAP-BRLPQQTGSA-N 1 0 314.360 4.140 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001474412773 1062080326 /nfs/dbraw/zinc/08/03/26/1062080326.db2.gz GOIUSQZLQHBOBA-UHFFFAOYSA-N 1 0 318.804 4.497 20 5 DIBDRO C[C@@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001474451354 1062128896 /nfs/dbraw/zinc/12/88/96/1062128896.db2.gz CLICOZPETCFTLE-LLVKDONJSA-N 1 0 316.323 4.236 20 5 DIBDRO C[C@@H](C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001459422842 1062139053 /nfs/dbraw/zinc/13/90/53/1062139053.db2.gz KDACWLCAUKTGAX-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001459421247 1062139188 /nfs/dbraw/zinc/13/91/88/1062139188.db2.gz BGOOSIANNGXDKL-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCCCCC1 ZINC001459430457 1062141633 /nfs/dbraw/zinc/14/16/33/1062141633.db2.gz CPDPUJJOTZSQMD-UHFFFAOYSA-N 1 0 320.433 4.408 20 5 DIBDRO O=[N+]([O-])c1ccc(OCC[N@H+](CC2CC2)C2CCCCC2)cc1 ZINC001459434216 1062142116 /nfs/dbraw/zinc/14/21/16/1062142116.db2.gz ARNINMBQYINNST-UHFFFAOYSA-N 1 0 318.417 4.018 20 5 DIBDRO Cc1ccc([C@@H](C)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001474469966 1062149619 /nfs/dbraw/zinc/14/96/19/1062149619.db2.gz VKAAVHSNCQRBNY-INIZCTEOSA-N 1 0 312.413 4.181 20 5 DIBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC001459472557 1062159274 /nfs/dbraw/zinc/15/92/74/1062159274.db2.gz ZACINEGQFLSAHY-OLZOCXBDSA-N 1 0 306.406 4.002 20 5 DIBDRO CC(C)(C)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001459483710 1062162679 /nfs/dbraw/zinc/16/26/79/1062162679.db2.gz DAKYMARGWXVWJC-OAHLLOKOSA-N 1 0 320.433 4.122 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2occc2c1 ZINC001254537474 1062163135 /nfs/dbraw/zinc/16/31/35/1062163135.db2.gz DZGXIRFNSKDJCD-ZDUSSCGKSA-N 1 0 310.353 4.062 20 5 DIBDRO CC[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001459490554 1062164202 /nfs/dbraw/zinc/16/42/02/1062164202.db2.gz QHXKFVDMNIGZNT-SECBINFHSA-N 1 0 305.205 4.380 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC001254540733 1062168069 /nfs/dbraw/zinc/16/80/69/1062168069.db2.gz VGOSSUYVQSSTSL-DYVFJYSZSA-N 1 0 316.376 4.406 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254540348 1062168127 /nfs/dbraw/zinc/16/81/27/1062168127.db2.gz RTCWTKPGWBHBDW-RDTXWAMCSA-N 1 0 310.397 4.111 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC001254540212 1062168376 /nfs/dbraw/zinc/16/83/76/1062168376.db2.gz QHKBCSXREVNCSI-VXGBXAGGSA-N 1 0 320.339 4.155 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001254543003 1062169352 /nfs/dbraw/zinc/16/93/52/1062169352.db2.gz QZMQDHCRGPBWBG-SUMWQHHRSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001474491560 1062170143 /nfs/dbraw/zinc/17/01/43/1062170143.db2.gz IFZUPXPOECXSOV-CVYDXHPNSA-N 1 0 316.445 4.332 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C)CCC(F)(F)CC1 ZINC001254547827 1062173139 /nfs/dbraw/zinc/17/31/39/1062173139.db2.gz YDOVNOAFKRWPBB-GFCCVEGCSA-N 1 0 312.360 4.083 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001254557798 1062176041 /nfs/dbraw/zinc/17/60/41/1062176041.db2.gz BISSNSMTPPBWQP-ZBFHGGJFSA-N 1 0 320.408 4.130 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001254557795 1062176121 /nfs/dbraw/zinc/17/61/21/1062176121.db2.gz BISSNSMTPPBWQP-GDBMZVCRSA-N 1 0 320.408 4.130 20 5 DIBDRO CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254558315 1062177397 /nfs/dbraw/zinc/17/73/97/1062177397.db2.gz FMFHSDIKGIBKAC-AWEZNQCLSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1Cl ZINC001254562334 1062179697 /nfs/dbraw/zinc/17/96/97/1062179697.db2.gz KGKNDSUVVBINFU-CYBMUJFWSA-N 1 0 318.804 4.311 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001254562614 1062181020 /nfs/dbraw/zinc/18/10/20/1062181020.db2.gz OCHTVAIYQBFSKY-CZUORRHYSA-N 1 0 316.426 4.424 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCCCC2 ZINC001254567324 1062184373 /nfs/dbraw/zinc/18/43/73/1062184373.db2.gz BHSHSIZBNMCXIO-OAHLLOKOSA-N 1 0 302.418 4.182 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(c3ccccc3)CCCC1)C2 ZINC001254571719 1062186462 /nfs/dbraw/zinc/18/64/62/1062186462.db2.gz ATXXNHNGWVHCEB-GOSISDBHSA-N 1 0 322.408 4.121 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(C)c1 ZINC001254577859 1062189016 /nfs/dbraw/zinc/18/90/16/1062189016.db2.gz HEXOCEHGILAWEL-IEBWSBKVSA-N 1 0 310.397 4.111 20 5 DIBDRO CC(C)(C)[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584594 1062189560 /nfs/dbraw/zinc/18/95/60/1062189560.db2.gz SLVLWCQRQYEKPB-IEBWSBKVSA-N 1 0 324.424 4.439 20 5 DIBDRO CC(C)(C)[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584611 1062190221 /nfs/dbraw/zinc/19/02/21/1062190221.db2.gz SLVLWCQRQYEKPB-PKOBYXMFSA-N 1 0 324.424 4.439 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H](CC1CC1)c1ccccc1)C2 ZINC001254588040 1062193165 /nfs/dbraw/zinc/19/31/65/1062193165.db2.gz VPIUVFXSWOSJFS-AZUAARDMSA-N 1 0 322.408 4.193 20 5 DIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254598633 1062196692 /nfs/dbraw/zinc/19/66/92/1062196692.db2.gz ITKLQHDZPQMYHS-PMACEKPBSA-N 1 0 322.408 4.208 20 5 DIBDRO CC[C@H]1CCCC[C@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001474516713 1062200290 /nfs/dbraw/zinc/20/02/90/1062200290.db2.gz LEDVSEBXIAUQIL-RDJZCZTQSA-N 1 0 304.434 4.286 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCSC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC001459626638 1062263047 /nfs/dbraw/zinc/26/30/47/1062263047.db2.gz ANBIOERZWVQRSG-UHFFFAOYSA-N 1 0 320.458 4.155 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCCCC2 ZINC001474567634 1062271154 /nfs/dbraw/zinc/27/11/54/1062271154.db2.gz OBPWHTPXEJZCRA-XNTDXEJSSA-N 1 0 300.402 4.264 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1=CCCC1 ZINC001474636374 1062361223 /nfs/dbraw/zinc/36/12/23/1062361223.db2.gz NHGNYRBIAGJRBM-DOTOQJQBSA-N 1 0 300.402 4.006 20 5 DIBDRO CC(C)(C)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC001474698161 1062427329 /nfs/dbraw/zinc/42/73/29/1062427329.db2.gz NAHRVTBNRRBAKR-UHFFFAOYSA-N 1 0 322.405 4.383 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3ncccc23)cc1[N+](=O)[O-] ZINC001459825081 1062428963 /nfs/dbraw/zinc/42/89/63/1062428963.db2.gz OFXRZJYCQZYFLG-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001459836659 1062435656 /nfs/dbraw/zinc/43/56/56/1062435656.db2.gz OQUWEXSVPNYTOC-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC=CCCC2)c(Cl)c1 ZINC001474745218 1062460526 /nfs/dbraw/zinc/46/05/26/1062460526.db2.gz FENJLVOTLIOCDE-CYBMUJFWSA-N 1 0 308.809 4.474 20 5 DIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459904757 1062486484 /nfs/dbraw/zinc/48/64/84/1062486484.db2.gz NZFJKFKICBCZJG-WFASDCNBSA-N 1 0 324.396 4.191 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001459964882 1062533322 /nfs/dbraw/zinc/53/33/22/1062533322.db2.gz OXKWBJXWKDECNL-XJKSGUPXSA-N 1 0 308.397 4.428 20 5 DIBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC001460221621 1062707972 /nfs/dbraw/zinc/70/79/72/1062707972.db2.gz DMFJMOABSPNQSQ-PKOBYXMFSA-N 1 0 310.397 4.363 20 5 DIBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001460295344 1062765550 /nfs/dbraw/zinc/76/55/50/1062765550.db2.gz IKKMDUDRZFVEOY-CJNGLKHVSA-N 1 0 320.408 4.382 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001460317915 1062774806 /nfs/dbraw/zinc/77/48/06/1062774806.db2.gz UJNSXAQKKAYSQW-CQSZACIVSA-N 1 0 306.381 4.279 20 5 DIBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC3(CCCC3)CC2)c(F)c1 ZINC001460404138 1062835335 /nfs/dbraw/zinc/83/53/35/1062835335.db2.gz BXCOMIGONPQUEI-UHFFFAOYSA-N 1 0 324.371 4.419 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001460615822 1062935049 /nfs/dbraw/zinc/93/50/49/1062935049.db2.gz BVQSUYBWGMAQKA-IAGOWNOFSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@@]2(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001460683106 1062982298 /nfs/dbraw/zinc/98/22/98/1062982298.db2.gz GERFVBHIOCBZFN-SFHVURJKSA-N 1 0 302.418 4.448 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC1CCCCC1 ZINC001461042534 1063207467 /nfs/dbraw/zinc/20/74/67/1063207467.db2.gz YWZQLBFRQMLURR-UHFFFAOYSA-N 1 0 320.433 4.444 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)Cc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC001461052813 1063218189 /nfs/dbraw/zinc/21/81/89/1063218189.db2.gz SFJIOUZOASNNIS-GFCCVEGCSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC001461162053 1063301550 /nfs/dbraw/zinc/30/15/50/1063301550.db2.gz XRWTYUJZNVOUPI-OAHLLOKOSA-N 1 0 320.433 4.170 20 5 DIBDRO C[C@H]1CCCC[C@@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001461268943 1063380743 /nfs/dbraw/zinc/38/07/43/1063380743.db2.gz ZNTWINOBZDUQAV-DOTOQJQBSA-N 1 0 304.434 4.333 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)CCC2 ZINC001473121372 1063426244 /nfs/dbraw/zinc/42/62/44/1063426244.db2.gz AQJURZSSGWQPIO-UHFFFAOYSA-N 1 0 324.424 4.494 20 5 DIBDRO C/C(=C/c1ccccc1)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001461339473 1063428006 /nfs/dbraw/zinc/42/80/06/1063428006.db2.gz GPQDKDMCMWTDLI-LCYFTJDESA-N 1 0 316.788 4.441 20 5 DIBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)C ZINC001473131479 1063438567 /nfs/dbraw/zinc/43/85/67/1063438567.db2.gz CRZIQXAUBFKSIC-UHFFFAOYSA-N 1 0 318.339 4.482 20 5 DIBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC001473173108 1063477026 /nfs/dbraw/zinc/47/70/26/1063477026.db2.gz HXOUEFPZYOETIQ-IBGZPJMESA-N 1 0 324.424 4.419 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C ZINC001461464620 1063525175 /nfs/dbraw/zinc/52/51/75/1063525175.db2.gz NLRIVJZECIBIMS-ZNMIVQPWSA-N 1 0 320.433 4.155 20 5 DIBDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001461468610 1063527938 /nfs/dbraw/zinc/52/79/38/1063527938.db2.gz ZQWLVVGCLQWPQJ-KBPBESRZSA-N 1 0 314.385 4.381 20 5 DIBDRO CCc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC001461789204 1063717481 /nfs/dbraw/zinc/71/74/81/1063717481.db2.gz OTILBQKFYVRGLG-LBPRGKRZSA-N 1 0 304.415 4.112 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC001461789743 1063718296 /nfs/dbraw/zinc/71/82/96/1063718296.db2.gz RIUYUANUTUKYEC-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO O[C@@H](CC[NH2+]Cc1c2ccccc2cc2ccccc21)C1CC1 ZINC001461809501 1063727969 /nfs/dbraw/zinc/72/79/69/1063727969.db2.gz DDDRWNMSMSLXDR-NRFANRHFSA-N 1 0 305.421 4.244 20 5 DIBDRO Cc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1F ZINC001461956042 1063835116 /nfs/dbraw/zinc/83/51/16/1063835116.db2.gz OHEGMZGLENCVCA-UHFFFAOYSA-N 1 0 316.376 4.453 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\C1CC1 ZINC001261240588 1063914009 /nfs/dbraw/zinc/91/40/09/1063914009.db2.gz CMVDOKZUIXUIDL-GXMNPTEKSA-N 1 0 306.431 4.021 20 5 DIBDRO CC1CC[NH+](C2CCC(Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001307080835 1065253201 /nfs/dbraw/zinc/25/32/01/1065253201.db2.gz LVOVRDGYOXCTKG-UHFFFAOYSA-N 1 0 317.433 4.050 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC001307416617 1065378616 /nfs/dbraw/zinc/37/86/16/1065378616.db2.gz ZMKYTMWTEYSQEG-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC001307478091 1065425644 /nfs/dbraw/zinc/42/56/44/1065425644.db2.gz ISEUSHLTDYFNAB-LSDHHAIUSA-N 1 0 320.433 4.393 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307479709 1065425762 /nfs/dbraw/zinc/42/57/62/1065425762.db2.gz QFBZOOPDXZYBPA-GDLVEWKHSA-N 1 0 310.344 4.026 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(C2CCCC2)CC1 ZINC001307505156 1065448990 /nfs/dbraw/zinc/44/89/90/1065448990.db2.gz BSZRPCGIIYFUAH-UHFFFAOYSA-N 1 0 306.381 4.136 20 5 DIBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001307580129 1065493592 /nfs/dbraw/zinc/49/35/92/1065493592.db2.gz AZTKBCQLAFFXDV-HNNXBMFYSA-N 1 0 306.406 4.148 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12CCC2 ZINC001307612845 1065517632 /nfs/dbraw/zinc/51/76/32/1065517632.db2.gz FYGZJVRRZKZPMC-LBPRGKRZSA-N 1 0 308.809 4.260 20 5 DIBDRO Cc1ccc2ncc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC001307623460 1065524684 /nfs/dbraw/zinc/52/46/84/1065524684.db2.gz XAGMWFADWYRDMK-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO Cc1ccc2ncc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC001307623463 1065524991 /nfs/dbraw/zinc/52/49/91/1065524991.db2.gz XAGMWFADWYRDMK-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001307626454 1065527810 /nfs/dbraw/zinc/52/78/10/1065527810.db2.gz XGXQQNZRMQKPIG-IUCAKERBSA-N 1 0 305.205 4.426 20 5 DIBDRO CC[C@H]([NH2+]C[C@H](OC)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001307634025 1065530644 /nfs/dbraw/zinc/53/06/44/1065530644.db2.gz UMVYLMWEHNTJGQ-ROUUACIJSA-N 1 0 320.433 4.231 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001307640015 1065533968 /nfs/dbraw/zinc/53/39/68/1065533968.db2.gz UTUJRQNNRYPYFS-INIZCTEOSA-N 1 0 320.339 4.422 20 5 DIBDRO CCC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001307638044 1065534108 /nfs/dbraw/zinc/53/41/08/1065534108.db2.gz KPSSKVDUDUOMGC-SFHVURJKSA-N 1 0 314.385 4.105 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH+](CC(C)(C)C)CC(C)(C)C ZINC001307648716 1065542156 /nfs/dbraw/zinc/54/21/56/1065542156.db2.gz CBGUTIPAOBUNFO-UHFFFAOYSA-N 1 0 322.449 4.498 20 5 DIBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001307661160 1065549235 /nfs/dbraw/zinc/54/92/35/1065549235.db2.gz ZNPKCIWAVBOIKG-SFHVURJKSA-N 1 0 310.397 4.240 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001307689588 1065564345 /nfs/dbraw/zinc/56/43/45/1065564345.db2.gz BZFWKXIUYCHKQY-PKOBYXMFSA-N 1 0 324.424 4.404 20 5 DIBDRO CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H]1C ZINC001307703642 1065573321 /nfs/dbraw/zinc/57/33/21/1065573321.db2.gz WRKMWQOYPSDKNY-KBPBESRZSA-N 1 0 306.406 4.002 20 5 DIBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001307715152 1065580852 /nfs/dbraw/zinc/58/08/52/1065580852.db2.gz HWNAOEUFFVAQMI-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO C[N@H+](CCSC1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC001307714372 1065581654 /nfs/dbraw/zinc/58/16/54/1065581654.db2.gz AIKONPIEBIFJOQ-UHFFFAOYSA-N 1 0 322.474 4.135 20 5 DIBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001307715153 1065581848 /nfs/dbraw/zinc/58/18/48/1065581848.db2.gz HWNAOEUFFVAQMI-ZDUSSCGKSA-N 1 0 318.804 4.484 20 5 DIBDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001307759768 1065609601 /nfs/dbraw/zinc/60/96/01/1065609601.db2.gz CTJHREOSFTVNGM-CYBMUJFWSA-N 1 0 318.804 4.484 20 5 DIBDRO CCOc1cc(C[N@@H+]2C[C@H](CC)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001307768726 1065614321 /nfs/dbraw/zinc/61/43/21/1065614321.db2.gz UROSNFRYYIDWHZ-UONOGXRCSA-N 1 0 306.406 4.004 20 5 DIBDRO CC(C)([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccccc1[N+](=O)[O-] ZINC001307801724 1065627932 /nfs/dbraw/zinc/62/79/32/1065627932.db2.gz NDHONKAVLGKGKK-CYBMUJFWSA-N 1 0 320.433 4.013 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C1CCC1)C1CCC1 ZINC001307810402 1065633888 /nfs/dbraw/zinc/63/38/88/1065633888.db2.gz KCOTXDJHVIJVEA-UHFFFAOYSA-N 1 0 318.417 4.289 20 5 DIBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001307854851 1065654222 /nfs/dbraw/zinc/65/42/22/1065654222.db2.gz KNORXIQXDBMYDM-OAHLLOKOSA-N 1 0 316.426 4.424 20 5 DIBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001307854850 1065654401 /nfs/dbraw/zinc/65/44/01/1065654401.db2.gz KNORXIQXDBMYDM-HNNXBMFYSA-N 1 0 316.426 4.424 20 5 DIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001307853301 1065654486 /nfs/dbraw/zinc/65/44/86/1065654486.db2.gz PTSTXCTZFPDATQ-GJZGRUSLSA-N 1 0 320.433 4.120 20 5 DIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001307853304 1065654548 /nfs/dbraw/zinc/65/45/48/1065654548.db2.gz PTSTXCTZFPDATQ-LSDHHAIUSA-N 1 0 320.433 4.120 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC12CCCCC2 ZINC001307927041 1065684527 /nfs/dbraw/zinc/68/45/27/1065684527.db2.gz OYAVKSUCTMPZOD-KRWDZBQOSA-N 1 0 318.417 4.196 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001307958074 1065700308 /nfs/dbraw/zinc/70/03/08/1065700308.db2.gz LIHKVBIXXVBJAH-INIZCTEOSA-N 1 0 302.418 4.387 20 5 DIBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001308025698 1065731500 /nfs/dbraw/zinc/73/15/00/1065731500.db2.gz DYNBDURIKKBWFM-SFHVURJKSA-N 1 0 318.417 4.018 20 5 DIBDRO C[C@H]([NH2+]CCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001308067141 1065746813 /nfs/dbraw/zinc/74/68/13/1065746813.db2.gz DULHDUAEVBXWJD-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001308070466 1065750136 /nfs/dbraw/zinc/75/01/36/1065750136.db2.gz NASXHEJIOAEALU-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001308290887 1065886130 /nfs/dbraw/zinc/88/61/30/1065886130.db2.gz MLFIEHDIWKHBFF-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001308294776 1065891583 /nfs/dbraw/zinc/89/15/83/1065891583.db2.gz CZKDZCYEEKUIAT-YOEHRIQHSA-N 1 0 304.434 4.332 20 5 DIBDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001308294773 1065891617 /nfs/dbraw/zinc/89/16/17/1065891617.db2.gz CZKDZCYEEKUIAT-PBHICJAKSA-N 1 0 304.434 4.332 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001308366622 1065943416 /nfs/dbraw/zinc/94/34/16/1065943416.db2.gz OGWPTTBQFLKGPH-IYCFBSGCSA-N 1 0 302.418 4.412 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC(F)CC1 ZINC001308453479 1065999051 /nfs/dbraw/zinc/99/90/51/1065999051.db2.gz LCMXZZFZYWZHSQ-UKTHLTGXSA-N 1 0 306.381 4.116 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)c1 ZINC001308482781 1066020014 /nfs/dbraw/zinc/02/00/14/1066020014.db2.gz UKCCQBIYBMIFRM-CZIWCDLHSA-N 1 0 314.410 4.008 20 5 DIBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001308536454 1066054805 /nfs/dbraw/zinc/05/48/05/1066054805.db2.gz YTZUPEOAFUFLRQ-ZOBUZTSGSA-N 1 0 302.418 4.280 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000903286751 1066100887 /nfs/dbraw/zinc/10/08/87/1066100887.db2.gz GDUCWWIDLNBSFG-WBMJQRKESA-N 1 0 300.358 4.102 20 5 DIBDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000903288569 1066102622 /nfs/dbraw/zinc/10/26/22/1066102622.db2.gz YPCFAVFHXROJTB-OLZOCXBDSA-N 1 0 300.358 4.021 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001308596787 1066108721 /nfs/dbraw/zinc/10/87/21/1066108721.db2.gz AXGZLGUJCTVSMB-SFHVURJKSA-N 1 0 324.424 4.276 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC001308642282 1066134199 /nfs/dbraw/zinc/13/41/99/1066134199.db2.gz KJZCUKRRZJYELJ-JKSUJKDBSA-N 1 0 322.836 4.349 20 5 DIBDRO CC[C@H]1CCCC[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001308712704 1066193861 /nfs/dbraw/zinc/19/38/61/1066193861.db2.gz QZYBDRYYVWWFFR-IRXDYDNUSA-N 1 0 304.434 4.286 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001308759275 1066232497 /nfs/dbraw/zinc/23/24/97/1066232497.db2.gz YUXKYYXCQDAAHA-UYAOXDASSA-N 1 0 324.424 4.263 20 5 DIBDRO CC(C)[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCCC2 ZINC001308815748 1066290280 /nfs/dbraw/zinc/29/02/80/1066290280.db2.gz KPRLWXAQFNCALK-MRXNPFEDSA-N 1 0 306.381 4.135 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC([C@@H]2CCC[C@@H](C)C2)C1 ZINC001308911071 1066389877 /nfs/dbraw/zinc/38/98/77/1066389877.db2.gz DAEVDCFIUFAKJI-CZUORRHYSA-N 1 0 316.445 4.470 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000081181388 192233746 /nfs/dbraw/zinc/23/37/46/192233746.db2.gz XUTOFMVDKLSAAF-GTNSWQLSSA-N 1 0 300.333 4.072 20 5 DIBDRO CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000037977134 182948897 /nfs/dbraw/zinc/94/88/97/182948897.db2.gz NHGRNJFDSYFEFI-UHFFFAOYSA-N 1 0 306.749 4.150 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000274129625 130209589 /nfs/dbraw/zinc/20/95/89/130209589.db2.gz HZRMTAIDHLYXAK-LLVKDONJSA-N 1 0 306.312 4.383 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000297217825 132004588 /nfs/dbraw/zinc/00/45/88/132004588.db2.gz HDDUORXRLZTIHS-WDEREUQCSA-N 1 0 305.765 4.055 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120220988 132143414 /nfs/dbraw/zinc/14/34/14/132143414.db2.gz IXAKIODQOVIDQU-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000570507147 332764494 /nfs/dbraw/zinc/76/44/94/332764494.db2.gz ZDQRHDUFKNJWSZ-ZIAGYGMSSA-N 1 0 320.458 4.087 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000035055417 331467674 /nfs/dbraw/zinc/46/76/74/331467674.db2.gz SOQQIAJPHOZGNZ-INIZCTEOSA-N 1 0 304.777 4.489 20 5 DIBDRO CCCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000079694965 331682829 /nfs/dbraw/zinc/68/28/29/331682829.db2.gz USAHSDNREOPQBZ-UHFFFAOYSA-N 1 0 314.385 4.064 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000556429898 331703460 /nfs/dbraw/zinc/70/34/60/331703460.db2.gz MMWYKSDZQHYJOL-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000557407900 331788700 /nfs/dbraw/zinc/78/87/00/331788700.db2.gz TWYYQQVDCLELAH-UHFFFAOYSA-N 1 0 323.396 4.291 20 5 DIBDRO CCCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000557900861 331825286 /nfs/dbraw/zinc/82/52/86/331825286.db2.gz SFGMRDNSVHRVTK-AWEZNQCLSA-N 1 0 314.385 4.234 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090918442 331917799 /nfs/dbraw/zinc/91/77/99/331917799.db2.gz UDCRALCZCASCIO-DYVFJYSZSA-N 1 0 314.385 4.405 20 5 DIBDRO CCC[C@@H]([NH2+]CC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000131171796 332027953 /nfs/dbraw/zinc/02/79/53/332027953.db2.gz YQQGHFWVFBEQCA-MRXNPFEDSA-N 1 0 308.447 4.169 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC(C)=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000569454048 332089511 /nfs/dbraw/zinc/08/95/11/332089511.db2.gz WMUWXKJQBVTGLZ-UHFFFAOYSA-N 1 0 312.369 4.176 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H]2F)s1 ZINC000559359055 332128074 /nfs/dbraw/zinc/12/80/74/332128074.db2.gz ODXNDJZLHVQGMV-KGLIPLIRSA-N 1 0 320.389 4.304 20 5 DIBDRO CCC[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000560583946 332365225 /nfs/dbraw/zinc/36/52/25/332365225.db2.gz DLIZHDDGTLRVNZ-ZDUSSCGKSA-N 1 0 316.323 4.368 20 5 DIBDRO Cc1ccc2c(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3C)c[nH]c2c1 ZINC000525876944 335103707 /nfs/dbraw/zinc/10/37/07/335103707.db2.gz OKXQFEUTZDGTRG-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(OC)cc1 ZINC000181828521 333032840 /nfs/dbraw/zinc/03/28/40/333032840.db2.gz XDYYNQVBXOEVRI-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3ccccc3Cl)C2)cc1 ZINC000378878835 333059247 /nfs/dbraw/zinc/05/92/47/333059247.db2.gz DIERDIWGLXAYPT-UHFFFAOYSA-N 1 0 316.788 4.284 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000319186347 333270862 /nfs/dbraw/zinc/27/08/62/333270862.db2.gz IKHDZSFRLWTYRB-KRWDZBQOSA-N 1 0 302.349 4.017 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000502603438 333303900 /nfs/dbraw/zinc/30/39/00/333303900.db2.gz WRKSKBRAWCQTBA-IUODEOHRSA-N 1 0 312.360 4.461 20 5 DIBDRO CCC[C@H]([NH2+]CC(C)(C)COCC)c1cccc([N+](=O)[O-])c1 ZINC000319493583 333309252 /nfs/dbraw/zinc/30/92/52/333309252.db2.gz VUBMREJJVCRUIV-INIZCTEOSA-N 1 0 308.422 4.088 20 5 DIBDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000390720715 333320221 /nfs/dbraw/zinc/32/02/21/333320221.db2.gz LMDMQQVVMZFCCZ-OAHLLOKOSA-N 1 0 312.413 4.441 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(C3CC3)CC2)s1 ZINC000531609534 333537706 /nfs/dbraw/zinc/53/77/06/333537706.db2.gz LGKDGJQXDKZNEE-UHFFFAOYSA-N 1 0 314.410 4.356 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000320818216 335148132 /nfs/dbraw/zinc/14/81/32/335148132.db2.gz YAFOWQHACGYVJQ-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000534286752 333572163 /nfs/dbraw/zinc/57/21/63/333572163.db2.gz CUCGKTSXGPUCHN-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000048334970 333587270 /nfs/dbraw/zinc/58/72/70/333587270.db2.gz WGXURXTYWFHETH-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000414260689 333929202 /nfs/dbraw/zinc/92/92/02/333929202.db2.gz GNCFZKASUAEXEB-MWLCHTKSSA-N 1 0 304.312 4.142 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000268783038 333994245 /nfs/dbraw/zinc/99/42/45/333994245.db2.gz JFXJOZBRTDLGJZ-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO CC[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414514538 334003608 /nfs/dbraw/zinc/00/36/08/334003608.db2.gz IRZQSLFOKUDCTN-SMYYYNMVSA-N 1 0 316.323 4.176 20 5 DIBDRO CC[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414514536 334003650 /nfs/dbraw/zinc/00/36/50/334003650.db2.gz IRZQSLFOKUDCTN-HWPRWLFBSA-N 1 0 316.323 4.176 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438472387 334116898 /nfs/dbraw/zinc/11/68/98/334116898.db2.gz XSNVHMYHNPEOIT-VGVVRCBHSA-N 1 0 316.323 4.175 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000187699773 334271038 /nfs/dbraw/zinc/27/10/38/334271038.db2.gz HVZXXBOEQKGDQZ-HNNXBMFYSA-N 1 0 320.414 4.296 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000531947897 334302471 /nfs/dbraw/zinc/30/24/71/334302471.db2.gz JWZRPSLTZHVRND-UONOGXRCSA-N 1 0 302.374 4.168 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531969575 334327656 /nfs/dbraw/zinc/32/76/56/334327656.db2.gz WBVBCGXTVHMSQN-GZBFAFLISA-N 1 0 308.447 4.228 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)s1 ZINC000049507058 334342966 /nfs/dbraw/zinc/34/29/66/334342966.db2.gz ZKYOFYWBFJBQMY-GFCCVEGCSA-N 1 0 304.415 4.432 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000049592755 334353004 /nfs/dbraw/zinc/35/30/04/334353004.db2.gz HQYDGKBWPHNTIG-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCc2sccc21 ZINC000341558897 334452211 /nfs/dbraw/zinc/45/22/11/334452211.db2.gz FKBRLMYLBUEVBS-ZDTYVGOBSA-N 1 0 314.410 4.337 20 5 DIBDRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000051100073 334735881 /nfs/dbraw/zinc/73/58/81/334735881.db2.gz BEDMVXRHUOBZNB-BDJLRTHQSA-N 1 0 302.399 4.458 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000425926493 334775570 /nfs/dbraw/zinc/77/55/70/334775570.db2.gz PHIQUJBDICZJGR-LBPRGKRZSA-N 1 0 314.360 4.462 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)sc2C)ccc1[N+](=O)[O-] ZINC000347566017 335507676 /nfs/dbraw/zinc/50/76/76/335507676.db2.gz QKILSGDMXPFFOI-NSHDSACASA-N 1 0 320.414 4.133 20 5 DIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000514518463 335646012 /nfs/dbraw/zinc/64/60/12/335646012.db2.gz SOBHCKZYDLAPLT-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000536755110 335883719 /nfs/dbraw/zinc/88/37/19/335883719.db2.gz FTHGGQCCPJGAQC-MAUKXSAKSA-N 1 0 320.433 4.011 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000532188382 335912319 /nfs/dbraw/zinc/91/23/19/335912319.db2.gz UETCMQJWKXXLLG-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC1CCCCC1 ZINC000532200406 335915161 /nfs/dbraw/zinc/91/51/61/335915161.db2.gz LRZJNCLJLMNOOR-HNNXBMFYSA-N 1 0 320.433 4.293 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000532200581 335915272 /nfs/dbraw/zinc/91/52/72/335915272.db2.gz XCNGCYFEIACWQP-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC(F)(F)C1)CCC2 ZINC000332252445 336165124 /nfs/dbraw/zinc/16/51/24/336165124.db2.gz YBMLBHQSWCQMOH-SWLSCSKDSA-N 1 0 310.344 4.140 20 5 DIBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C)cc1 ZINC000352271587 336209281 /nfs/dbraw/zinc/20/92/81/336209281.db2.gz CICIPBVINZQAFB-OAHLLOKOSA-N 1 0 324.384 4.020 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)cc1 ZINC000352768918 336233957 /nfs/dbraw/zinc/23/39/57/336233957.db2.gz JWFDNRCBIXPSEN-MRXNPFEDSA-N 1 0 314.385 4.153 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000103465477 336241033 /nfs/dbraw/zinc/24/10/33/336241033.db2.gz UQVFVBNJTLLMAG-KRWDZBQOSA-N 1 0 302.349 4.221 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000532511780 336252973 /nfs/dbraw/zinc/25/29/73/336252973.db2.gz XFPIAGYRMBBYQO-ZIAGYGMSSA-N 1 0 316.405 4.092 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3occc31)CCC2 ZINC000192657615 336258302 /nfs/dbraw/zinc/25/83/02/336258302.db2.gz FZONDMWAWFHIMY-IAGOWNOFSA-N 1 0 312.369 4.232 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000527042038 336280685 /nfs/dbraw/zinc/28/06/85/336280685.db2.gz CLYWIGNLIRYCEF-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000527042303 336280790 /nfs/dbraw/zinc/28/07/90/336280790.db2.gz ROFCPZVJIVALQG-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000325221093 336281542 /nfs/dbraw/zinc/28/15/42/336281542.db2.gz OVKADZFVIGQHBD-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000359315256 336667333 /nfs/dbraw/zinc/66/73/33/336667333.db2.gz SFGHROWYKKYOHH-ACJLOTCBSA-N 1 0 313.401 4.354 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC3(CCCO3)CC2)cc1[N+](=O)[O-] ZINC000376397319 337032565 /nfs/dbraw/zinc/03/25/65/337032565.db2.gz DKZWBOPESBUDJK-NXVRBGIVSA-N 1 0 318.417 4.046 20 5 DIBDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000193522553 337038158 /nfs/dbraw/zinc/03/81/58/337038158.db2.gz PVBUIDRROOWTCK-KDOFPFPSSA-N 1 0 314.385 4.023 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000177987213 337159418 /nfs/dbraw/zinc/15/94/18/337159418.db2.gz AXRCXLYQVHDANV-QGZVFWFLSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181239587 337180490 /nfs/dbraw/zinc/18/04/90/337180490.db2.gz RRJKFEHWGZXMGQ-RYQLBKOJSA-N 1 0 320.433 4.087 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)noc1C ZINC000181770981 337184546 /nfs/dbraw/zinc/18/45/46/337184546.db2.gz RIAMCWROVMHDIN-BDJLRTHQSA-N 1 0 317.389 4.310 20 5 DIBDRO CC1(C)CN(Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000582863445 337208922 /nfs/dbraw/zinc/20/89/22/337208922.db2.gz IJMSDDVUBRUNSZ-OAHLLOKOSA-N 1 0 302.399 4.239 20 5 DIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000189368336 337278865 /nfs/dbraw/zinc/27/88/65/337278865.db2.gz KFZLUJBDXPUABE-SUMWQHHRSA-N 1 0 312.369 4.078 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000236949566 337466685 /nfs/dbraw/zinc/46/66/85/337466685.db2.gz UFDXXLDLIQMHOK-KRWDZBQOSA-N 1 0 309.369 4.317 20 5 DIBDRO CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000396878338 337733893 /nfs/dbraw/zinc/73/38/93/337733893.db2.gz GGJRVPKSULPJII-MFKMUULPSA-N 1 0 304.312 4.224 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000536832944 337734794 /nfs/dbraw/zinc/73/47/94/337734794.db2.gz MALHFIVYHGLERB-LBPRGKRZSA-N 1 0 304.415 4.166 20 5 DIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc2c(s1)CCC2 ZINC000536842371 337737989 /nfs/dbraw/zinc/73/79/89/337737989.db2.gz YVAKCPQGURKHKZ-LBPRGKRZSA-N 1 0 316.426 4.038 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000536848432 337744301 /nfs/dbraw/zinc/74/43/01/337744301.db2.gz YNUUPSCLDUBKSM-JZOCTASASA-N 1 0 322.408 4.140 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000536911399 337847786 /nfs/dbraw/zinc/84/77/86/337847786.db2.gz VLVNCRBLMFQNAO-MPGHIAIKSA-N 1 0 320.433 4.005 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120134602 337869093 /nfs/dbraw/zinc/86/90/93/337869093.db2.gz SMRPODBWIXJTOC-SFHVURJKSA-N 1 0 314.385 4.234 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000120564254 337877755 /nfs/dbraw/zinc/87/77/55/337877755.db2.gz ZFHJGHHFUMTJGY-KBPBESRZSA-N 1 0 302.374 4.168 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000090886163 337886649 /nfs/dbraw/zinc/88/66/49/337886649.db2.gz GDGPZNOQEOLBDN-NHYWBVRUSA-N 1 0 317.389 4.310 20 5 DIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1occc1C ZINC000426340309 338027833 /nfs/dbraw/zinc/02/78/33/338027833.db2.gz ZQFQQBRBXCFCAB-ZDUSSCGKSA-N 1 0 320.414 4.157 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000430087783 338095574 /nfs/dbraw/zinc/09/55/74/338095574.db2.gz IDSFXTZXRGXQKB-CVEARBPZSA-N 1 0 324.371 4.195 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000430203398 338101240 /nfs/dbraw/zinc/10/12/40/338101240.db2.gz FNTSZONTVNNFIW-SFHVURJKSA-N 1 0 314.385 4.090 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430221466 338102086 /nfs/dbraw/zinc/10/20/86/338102086.db2.gz RWVHFNDNFIZXMM-ZDUSSCGKSA-N 1 0 314.385 4.017 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000430740235 338112891 /nfs/dbraw/zinc/11/28/91/338112891.db2.gz GBIAVZFSAXENAQ-IAQYHMDHSA-N 1 0 324.371 4.342 20 5 DIBDRO CSC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433055898 338178889 /nfs/dbraw/zinc/17/88/89/338178889.db2.gz WVLJWKQXCQMVGP-OAHLLOKOSA-N 1 0 320.458 4.193 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433124456 338182444 /nfs/dbraw/zinc/18/24/44/338182444.db2.gz CNABZMSSJKPPRL-QGZVFWFLSA-N 1 0 314.360 4.246 20 5 DIBDRO CC1(C)C[C@H]([NH2+]CCc2ccsc2)c2cc([N+](=O)[O-])ccc21 ZINC000433152652 338183287 /nfs/dbraw/zinc/18/32/87/338183287.db2.gz SLMGIEVQRHFSIP-INIZCTEOSA-N 1 0 316.426 4.211 20 5 DIBDRO Cc1ccsc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433155195 338183310 /nfs/dbraw/zinc/18/33/10/338183310.db2.gz WWXQDOKQEJKQAI-HNNXBMFYSA-N 1 0 316.426 4.477 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000433156290 338183321 /nfs/dbraw/zinc/18/33/21/338183321.db2.gz ISZMWHDWPWABAW-QGZVFWFLSA-N 1 0 314.360 4.246 20 5 DIBDRO CC[C@H](CSC)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433226214 338186629 /nfs/dbraw/zinc/18/66/29/338186629.db2.gz FQZLOFTVLKWBQA-ABAIWWIYSA-N 1 0 308.447 4.048 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000153233450 338220680 /nfs/dbraw/zinc/22/06/80/338220680.db2.gz JINLCTFLYLFFLZ-VXGBXAGGSA-N 1 0 318.348 4.154 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000153233226 338220719 /nfs/dbraw/zinc/22/07/19/338220719.db2.gz JINLCTFLYLFFLZ-NEPJUHHUSA-N 1 0 318.348 4.154 20 5 DIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000434900332 338227271 /nfs/dbraw/zinc/22/72/71/338227271.db2.gz CWHJGZXJUHUNEX-DZGCQCFKSA-N 1 0 314.360 4.112 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435779197 338248708 /nfs/dbraw/zinc/24/87/08/338248708.db2.gz PWNXBFGXVPQCEI-SHTZXODSSA-N 1 0 314.360 4.078 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000436230121 338262497 /nfs/dbraw/zinc/26/24/97/338262497.db2.gz UXSQKXYQQVBSQD-ROUUACIJSA-N 1 0 310.397 4.063 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000437099227 338300900 /nfs/dbraw/zinc/30/09/00/338300900.db2.gz QKNLIOHXRGUWAK-ZWNOBZJWSA-N 1 0 304.312 4.222 20 5 DIBDRO Cc1ccc2cc(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])ccc2n1 ZINC000437798340 338322027 /nfs/dbraw/zinc/32/20/27/338322027.db2.gz KEXVTDQEXWDMNA-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000438483983 338345578 /nfs/dbraw/zinc/34/55/78/338345578.db2.gz GISRLAVCAUXVSA-GFCCVEGCSA-N 1 0 324.730 4.315 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000438483984 338345635 /nfs/dbraw/zinc/34/56/35/338345635.db2.gz GISRLAVCAUXVSA-LBPRGKRZSA-N 1 0 324.730 4.315 20 5 DIBDRO CCC[C@@H]([NH2+]C[C@H]1CCCCS1)c1cccc([N+](=O)[O-])c1 ZINC000156353335 338354459 /nfs/dbraw/zinc/35/44/59/338354459.db2.gz FHXZZQOFIQSEIM-HZPDHXFCSA-N 1 0 308.447 4.311 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2ccccc21 ZINC000447945104 338572546 /nfs/dbraw/zinc/57/25/46/338572546.db2.gz VCEQKDCGTSTOHG-VUVZNRFTSA-N 1 0 308.381 4.275 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000449136968 338596162 /nfs/dbraw/zinc/59/61/62/338596162.db2.gz WQEDJQKCLHEOBP-BXUZGUMPSA-N 1 0 319.430 4.032 20 5 DIBDRO CSCC1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000449420320 338622836 /nfs/dbraw/zinc/62/28/36/338622836.db2.gz FBNCBBSJMQMGIN-GQCTYLIASA-N 1 0 320.458 4.119 20 5 DIBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000453268849 338816497 /nfs/dbraw/zinc/81/64/97/338816497.db2.gz KWCNSPAWOCPQIP-IIYDPXPESA-N 1 0 312.369 4.158 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453579305 338849003 /nfs/dbraw/zinc/84/90/03/338849003.db2.gz JSACNCMWXLIZPF-HNNXBMFYSA-N 1 0 320.433 4.013 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000462733359 339085420 /nfs/dbraw/zinc/08/54/20/339085420.db2.gz HVWVOXUGKZEQHD-IJEWVQPXSA-N 1 0 318.417 4.052 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C/C=C\c2ccccc2)cc1 ZINC000462770552 339087795 /nfs/dbraw/zinc/08/77/95/339087795.db2.gz WOKLRTIPROSLBQ-POHAHGRESA-N 1 0 310.397 4.221 20 5 DIBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000464050346 339131943 /nfs/dbraw/zinc/13/19/43/339131943.db2.gz KVESBSIQKNUCOS-SFHVURJKSA-N 1 0 316.376 4.091 20 5 DIBDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)o1 ZINC000464831847 339155852 /nfs/dbraw/zinc/15/58/52/339155852.db2.gz KTOXWDJOLJLXIG-CXAGYDPISA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000464836435 339156348 /nfs/dbraw/zinc/15/63/48/339156348.db2.gz RWNIUTLYLCAHQN-SUMWQHHRSA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000464836433 339156535 /nfs/dbraw/zinc/15/65/35/339156535.db2.gz RWNIUTLYLCAHQN-GUYCJALGSA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000464849095 339157567 /nfs/dbraw/zinc/15/75/67/339157567.db2.gz DCNAXWMEQGCQTL-SUMWQHHRSA-N 1 0 314.385 4.469 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000466386814 339201903 /nfs/dbraw/zinc/20/19/03/339201903.db2.gz SKGOAPSWTIDHMI-SHTZXODSSA-N 1 0 314.360 4.078 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C/c2ccc(F)cc2)c(Cl)c1 ZINC000466468850 339206279 /nfs/dbraw/zinc/20/62/79/339206279.db2.gz LQXBEZXJVLASDM-OWOJBTEDSA-N 1 0 320.751 4.190 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000467846444 339247493 /nfs/dbraw/zinc/24/74/93/339247493.db2.gz NKCZBHALXAHRHN-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000467851218 339247626 /nfs/dbraw/zinc/24/76/26/339247626.db2.gz BLEKMGDQAVXKHV-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO CCc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000467971443 339250207 /nfs/dbraw/zinc/25/02/07/339250207.db2.gz UIPLPKKTGIEZTI-GFCCVEGCSA-N 1 0 304.415 4.112 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000467969936 339250229 /nfs/dbraw/zinc/25/02/29/339250229.db2.gz OAXBCGZSMCBNRY-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO Cc1cc2[nH]c(C[NH2+]CCc3ccccc3[N+](=O)[O-])cc2c(C)c1 ZINC000467997325 339250720 /nfs/dbraw/zinc/25/07/20/339250720.db2.gz ACDBHGYHUDCPLV-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000468006465 339250955 /nfs/dbraw/zinc/25/09/55/339250955.db2.gz RMMQBRUMHFKQBL-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000468229970 339256845 /nfs/dbraw/zinc/25/68/45/339256845.db2.gz JKFYTNXDIMGOAI-UONOGXRCSA-N 1 0 308.447 4.263 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470140626 339311640 /nfs/dbraw/zinc/31/16/40/339311640.db2.gz GPMSKNRPYLOGSB-CYBMUJFWSA-N 1 0 316.323 4.066 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000470154900 339311802 /nfs/dbraw/zinc/31/18/02/339311802.db2.gz NYENJLRKVJDBRI-ZDUSSCGKSA-N 1 0 316.323 4.066 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(C)o1 ZINC000470173893 339312909 /nfs/dbraw/zinc/31/29/09/339312909.db2.gz OGFKDUWNGWRZFO-LCYFTJDESA-N 1 0 300.358 4.032 20 5 DIBDRO Cc1ccc2[nH]c(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cc2c1C ZINC000472074557 339362491 /nfs/dbraw/zinc/36/24/91/339362491.db2.gz NABOWJXNQLEXNV-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000477863545 339503275 /nfs/dbraw/zinc/50/32/75/339503275.db2.gz OYDNTGWSOIFVEY-PBHICJAKSA-N 1 0 318.417 4.127 20 5 DIBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCc2ccccc21 ZINC000478271816 339512211 /nfs/dbraw/zinc/51/22/11/339512211.db2.gz GVIFSPTUZYNTHT-SFHVURJKSA-N 1 0 314.360 4.075 20 5 DIBDRO C[C@H]([NH2+]CCCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000479514324 339538810 /nfs/dbraw/zinc/53/88/10/339538810.db2.gz WCRXFHHIDUILNM-ZDUSSCGKSA-N 1 0 302.349 4.017 20 5 DIBDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000480090294 339558698 /nfs/dbraw/zinc/55/86/98/339558698.db2.gz IJLRQCYZELLFOZ-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000481737982 339612267 /nfs/dbraw/zinc/61/22/67/339612267.db2.gz KPCBBLZLFCRNCK-AWEZNQCLSA-N 1 0 321.380 4.036 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000481951986 339617763 /nfs/dbraw/zinc/61/77/63/339617763.db2.gz SRZKKWHILFABIS-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)c[nH]c2c1 ZINC000482113754 339623455 /nfs/dbraw/zinc/62/34/55/339623455.db2.gz LFNIMBZWDHMSHS-AWEZNQCLSA-N 1 0 323.396 4.278 20 5 DIBDRO CCC[C@H]([NH2+][C@H](C)CC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000483759453 339674149 /nfs/dbraw/zinc/67/41/49/339674149.db2.gz UWZBEADSEXIJRX-CJNGLKHVSA-N 1 0 308.422 4.229 20 5 DIBDRO C[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000486692538 339731496 /nfs/dbraw/zinc/73/14/96/339731496.db2.gz CWMBXLCEBWYFPF-NSHDSACASA-N 1 0 313.332 4.066 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488447531 339782911 /nfs/dbraw/zinc/78/29/11/339782911.db2.gz WPRCJUTXVJDGIB-BJJXKVORSA-N 1 0 308.447 4.084 20 5 DIBDRO CC(C)CCOC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000490295562 339830161 /nfs/dbraw/zinc/83/01/61/339830161.db2.gz AYGKFWIVRGCNGT-HNNXBMFYSA-N 1 0 320.433 4.183 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000490577276 339834824 /nfs/dbraw/zinc/83/48/24/339834824.db2.gz FYPJYABHNZUNDR-CQSZACIVSA-N 1 0 310.397 4.324 20 5 DIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000494482389 339950915 /nfs/dbraw/zinc/95/09/15/339950915.db2.gz FBVZFBBWYMMWOE-VIFPVBQESA-N 1 0 304.312 4.138 20 5 DIBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000495005521 339969973 /nfs/dbraw/zinc/96/99/73/339969973.db2.gz CGBLEIBBJCMSHG-QGZVFWFLSA-N 1 0 302.349 4.017 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000500391172 340056335 /nfs/dbraw/zinc/05/63/35/340056335.db2.gz FMGWXLCRPDONQN-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO C[C@H]1C[C@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000500419061 340057775 /nfs/dbraw/zinc/05/77/75/340057775.db2.gz AHHHPSGJFZISJO-YVEFUNNKSA-N 1 0 316.788 4.273 20 5 DIBDRO CC[C@@H]1C[C@]1([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500537670 340061868 /nfs/dbraw/zinc/06/18/68/340061868.db2.gz UKRVGPXTBLZSSK-VQIMIIECSA-N 1 0 310.397 4.318 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000501216478 340076362 /nfs/dbraw/zinc/07/63/62/340076362.db2.gz HCOBEQBETVYJAK-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])oc1C ZINC000502419314 340102768 /nfs/dbraw/zinc/10/27/68/340102768.db2.gz VJYFUKFIBGIHFO-NSHDSACASA-N 1 0 322.792 4.351 20 5 DIBDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502504790 340106232 /nfs/dbraw/zinc/10/62/32/340106232.db2.gz BGJXHKUFQIKJGS-APWZRJJASA-N 1 0 310.397 4.318 20 5 DIBDRO C[C@@H]1C[C@@]1([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503406553 340127599 /nfs/dbraw/zinc/12/75/99/340127599.db2.gz MGQWXPJFHDGELI-PXAZEXFGSA-N 1 0 316.788 4.273 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000504912225 340155970 /nfs/dbraw/zinc/15/59/70/340155970.db2.gz SIOQQJGOSBQRCP-KBPBESRZSA-N 1 0 304.390 4.000 20 5 DIBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000506191728 340188246 /nfs/dbraw/zinc/18/82/46/340188246.db2.gz KIOTTWQWYNPBIW-GQCTYLIASA-N 1 0 318.323 4.018 20 5 DIBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000506311470 340191908 /nfs/dbraw/zinc/19/19/08/340191908.db2.gz UEHOUZBEVJPLRG-UHFFFAOYSA-N 1 0 300.358 4.229 20 5 DIBDRO Cc1cc2cc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000507259489 340216022 /nfs/dbraw/zinc/21/60/22/340216022.db2.gz AYKWMHNPCBRSNX-ZDUSSCGKSA-N 1 0 309.369 4.235 20 5 DIBDRO Cc1cc2cc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000507259488 340216075 /nfs/dbraw/zinc/21/60/75/340216075.db2.gz AYKWMHNPCBRSNX-CYBMUJFWSA-N 1 0 309.369 4.235 20 5 DIBDRO C[N@H+](CCc1cccc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000507323020 340217124 /nfs/dbraw/zinc/21/71/24/340217124.db2.gz YBUSAVDWJUEYNC-UHFFFAOYSA-N 1 0 320.392 4.423 20 5 DIBDRO CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000507518272 340223935 /nfs/dbraw/zinc/22/39/35/340223935.db2.gz CKZWTCNMNKOMDX-UONOGXRCSA-N 1 0 313.401 4.272 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511060359 340319713 /nfs/dbraw/zinc/31/97/13/340319713.db2.gz RHFDAOFNTOLDBK-CQSZACIVSA-N 1 0 312.369 4.347 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC000511105392 340320973 /nfs/dbraw/zinc/32/09/73/340320973.db2.gz JMVRFQZBZPTNIC-UHFFFAOYSA-N 1 0 310.353 4.016 20 5 DIBDRO CSc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000511166219 340323108 /nfs/dbraw/zinc/32/31/08/340323108.db2.gz BHVNNQMBGLPWNG-LBPRGKRZSA-N 1 0 302.399 4.168 20 5 DIBDRO CSc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000511197738 340323714 /nfs/dbraw/zinc/32/37/14/340323714.db2.gz KUGGVAXNSFARGJ-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO CSc1ccccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000511197730 340323776 /nfs/dbraw/zinc/32/37/76/340323776.db2.gz KUGGVAXNSFARGJ-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000303594318 340336543 /nfs/dbraw/zinc/33/65/43/340336543.db2.gz MVNKZAWRGQNAEC-LJQANCHMSA-N 1 0 310.397 4.110 20 5 DIBDRO C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000512101955 340348559 /nfs/dbraw/zinc/34/85/59/340348559.db2.gz WQECZTCQOLNFDN-MVZIDQBPSA-N 1 0 318.323 4.237 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000513227136 340398317 /nfs/dbraw/zinc/39/83/17/340398317.db2.gz AYUNFQLVIRCMQK-WFASDCNBSA-N 1 0 302.399 4.239 20 5 DIBDRO COCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000186884879 340516635 /nfs/dbraw/zinc/51/66/35/340516635.db2.gz DHYAHGAZKXQLTF-HNNXBMFYSA-N 1 0 320.433 4.232 20 5 DIBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000521827551 340534883 /nfs/dbraw/zinc/53/48/83/340534883.db2.gz POEYTQSRXRFJAA-DOMZBBRYSA-N 1 0 300.358 4.133 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000223711565 340547411 /nfs/dbraw/zinc/54/74/11/340547411.db2.gz YMJFBTBZTWJXAL-NWANDNLSSA-N 1 0 308.447 4.228 20 5 DIBDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000190842234 340547455 /nfs/dbraw/zinc/54/74/55/340547455.db2.gz NWVKVLQSXXZFFT-UHFFFAOYSA-N 1 0 324.302 4.212 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2csc(Cl)c2)cccc1[N+](=O)[O-] ZINC000235190688 340657447 /nfs/dbraw/zinc/65/74/47/340657447.db2.gz NCPRSYNYTLNMBX-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000237516135 340671652 /nfs/dbraw/zinc/67/16/52/340671652.db2.gz LPWMYQXBXKUYMR-FUEXJSSKSA-N 1 0 318.323 4.237 20 5 DIBDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000237903536 340675017 /nfs/dbraw/zinc/67/50/17/340675017.db2.gz YREXORYOQPKWAQ-MRXNPFEDSA-N 1 0 314.385 4.300 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000038092351 340789478 /nfs/dbraw/zinc/78/94/78/340789478.db2.gz VYLJEYXPVMMHSA-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1cccs1 ZINC000537963281 340793754 /nfs/dbraw/zinc/79/37/54/340793754.db2.gz GHEIPCFTUVIJCQ-ZDUSSCGKSA-N 1 0 304.415 4.248 20 5 DIBDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000538215738 340813783 /nfs/dbraw/zinc/81/37/83/340813783.db2.gz JBYBAIFOJPVGFT-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](c1cccs1)C1CC1 ZINC000538313172 340817717 /nfs/dbraw/zinc/81/77/17/340817717.db2.gz MMFDECXKVSYUBH-SVEBXFOSSA-N 1 0 314.410 4.410 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000540177985 340920859 /nfs/dbraw/zinc/92/08/59/340920859.db2.gz YLGOOIGBHGVPIL-CKFHNAJUSA-N 1 0 310.397 4.487 20 5 DIBDRO CS[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000541568030 340975103 /nfs/dbraw/zinc/97/51/03/340975103.db2.gz ZTLDNQKTCCQCSP-IUODEOHRSA-N 1 0 310.463 4.332 20 5 DIBDRO CS[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542497063 341010359 /nfs/dbraw/zinc/01/03/59/341010359.db2.gz VKYBEILBQJRDSZ-BBRMVZONSA-N 1 0 324.490 4.283 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000542685909 341017081 /nfs/dbraw/zinc/01/70/81/341017081.db2.gz NSTJOGOWAALHBR-UHFFFAOYSA-N 1 0 310.397 4.462 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1csc2ccccc12 ZINC000542700115 341017873 /nfs/dbraw/zinc/01/78/73/341017873.db2.gz MWJHOKRBNOINGN-UHFFFAOYSA-N 1 0 312.394 4.408 20 5 DIBDRO CS[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000543410689 341042918 /nfs/dbraw/zinc/04/29/18/341042918.db2.gz CSIKREUSPAJPCB-CYBMUJFWSA-N 1 0 316.854 4.116 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H](OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000131486219 341091391 /nfs/dbraw/zinc/09/13/91/341091391.db2.gz SOPNCNWFDWPZEN-MSOLQXFVSA-N 1 0 314.385 4.023 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CC(c2ccccc2)C1 ZINC000545278362 341118906 /nfs/dbraw/zinc/11/89/06/341118906.db2.gz BDDOLRZMAOHOIL-POHAHGRESA-N 1 0 308.381 4.144 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000546871460 341184382 /nfs/dbraw/zinc/18/43/82/341184382.db2.gz KFGBDYDOIBQHQB-WCQYABFASA-N 1 0 318.339 4.237 20 5 DIBDRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236662393 341193102 /nfs/dbraw/zinc/19/31/02/341193102.db2.gz YUPVMVRZEAUOKY-UHFFFAOYSA-N 1 0 308.765 4.396 20 5 DIBDRO C[C@@H](CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000547398513 341211146 /nfs/dbraw/zinc/21/11/46/341211146.db2.gz NKGGAHMGQRDIHG-UBAGTECSSA-N 1 0 310.397 4.391 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000078991684 341251474 /nfs/dbraw/zinc/25/14/74/341251474.db2.gz HIRULDBPKOKOBP-RYUDHWBXSA-N 1 0 318.348 4.154 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000548301702 341255041 /nfs/dbraw/zinc/25/50/41/341255041.db2.gz YMBXGAKWWYOZIF-ZDUSSCGKSA-N 1 0 304.415 4.109 20 5 DIBDRO CCCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000079724046 341264517 /nfs/dbraw/zinc/26/45/17/341264517.db2.gz QJOUBOWWOGBYKP-CQSZACIVSA-N 1 0 314.385 4.234 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000245471538 341296120 /nfs/dbraw/zinc/29/61/20/341296120.db2.gz XUCUSDXINKLDRW-JLJPHGGASA-N 1 0 320.433 4.087 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC000549832770 341304420 /nfs/dbraw/zinc/30/44/20/341304420.db2.gz FZDQYXYOKJFYKK-UHFFFAOYSA-N 1 0 312.394 4.408 20 5 DIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000246032467 341322522 /nfs/dbraw/zinc/32/25/22/341322522.db2.gz WDXMAYWFNPZESL-QBIMZIAESA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551707840 341349618 /nfs/dbraw/zinc/34/96/18/341349618.db2.gz XBCUOIFGBNAKLM-LLVKDONJSA-N 1 0 316.323 4.320 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000552339809 341387858 /nfs/dbraw/zinc/38/78/58/341387858.db2.gz DPHHQRRFGHZBRN-CHWSQXEVSA-N 1 0 324.384 4.191 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000249310646 341396273 /nfs/dbraw/zinc/39/62/73/341396273.db2.gz LTRNRFYTFLHXOW-UHTWSYAYSA-N 1 0 316.323 4.367 20 5 DIBDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000090456904 341415912 /nfs/dbraw/zinc/41/59/12/341415912.db2.gz RGSZOHFOVPIZKP-HNNXBMFYSA-N 1 0 320.433 4.151 20 5 DIBDRO CCOCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000090457005 341415956 /nfs/dbraw/zinc/41/59/56/341415956.db2.gz JSRHQNWWIREURD-HNNXBMFYSA-N 1 0 320.433 4.151 20 5 DIBDRO COCC(C)(C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000554089697 341443662 /nfs/dbraw/zinc/44/36/62/341443662.db2.gz YNWFISDPUGGOLS-AWEZNQCLSA-N 1 0 308.422 4.007 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000555948579 341491865 /nfs/dbraw/zinc/49/18/65/341491865.db2.gz JZQDEVZDQCGCAH-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000152919257 341511571 /nfs/dbraw/zinc/51/15/71/341511571.db2.gz FOUQRSWPSNGVBZ-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1(c2ccccc2)CCC1 ZINC000566019760 341545659 /nfs/dbraw/zinc/54/56/59/341545659.db2.gz RMJAXALALZYKDB-KRWDZBQOSA-N 1 0 308.381 4.251 20 5 DIBDRO Cc1ccc2oc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cc2c1 ZINC000566500180 341560181 /nfs/dbraw/zinc/56/01/81/341560181.db2.gz FDBFDHGVBVCKGS-KRWDZBQOSA-N 1 0 322.364 4.427 20 5 DIBDRO CCc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000156288979 341619444 /nfs/dbraw/zinc/61/94/44/341619444.db2.gz BWOOOBIQCBKRHX-LBPRGKRZSA-N 1 0 304.415 4.378 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000572731567 341702283 /nfs/dbraw/zinc/70/22/83/341702283.db2.gz QPSOXVUREVTRKI-ONGXEEELSA-N 1 0 304.312 4.142 20 5 DIBDRO COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178645624 341960727 /nfs/dbraw/zinc/96/07/27/341960727.db2.gz ZQKXARGBAOJWLJ-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000119379996 519836302 /nfs/dbraw/zinc/83/63/02/519836302.db2.gz XYZPIMWBXCZGPZ-INIZCTEOSA-N 1 0 314.385 4.478 20 5 DIBDRO CCCO[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000245530282 520288082 /nfs/dbraw/zinc/28/80/82/520288082.db2.gz SIQCBHRAQJBUHH-WBVHZDCISA-N 1 0 320.433 4.245 20 5 DIBDRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267471593 521572910 /nfs/dbraw/zinc/57/29/10/521572910.db2.gz YAISNHBOIQELRC-UONOGXRCSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H](C)c1ncc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000183200706 522608689 /nfs/dbraw/zinc/60/86/89/522608689.db2.gz MGNYJZUNJSYQDF-ABAIWWIYSA-N 1 0 319.430 4.204 20 5 DIBDRO CC[C@H]([NH2+]C[C@@H](C)c1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000186581058 522609365 /nfs/dbraw/zinc/60/93/65/522609365.db2.gz STJKFPOILGRLEH-ABAIWWIYSA-N 1 0 319.430 4.204 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000178134974 522917938 /nfs/dbraw/zinc/91/79/38/522917938.db2.gz UCNZQNUALHVSSX-SUMWQHHRSA-N 1 0 316.405 4.174 20 5 DIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000336839321 525268700 /nfs/dbraw/zinc/26/87/00/525268700.db2.gz JPYYVXDHJCEKEF-QMTHXVAHSA-N 1 0 320.439 4.372 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000249329599 525560098 /nfs/dbraw/zinc/56/00/98/525560098.db2.gz VVQSPABOZPLRGU-CYZMBNFOSA-N 1 0 316.323 4.367 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1[N+](=O)[O-] ZINC000266435055 525583682 /nfs/dbraw/zinc/58/36/82/525583682.db2.gz FAXQSGFLICLKBB-MEDUHNTESA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000181635325 525727375 /nfs/dbraw/zinc/72/73/75/525727375.db2.gz LEACPRYGWKDSMY-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126612770 526090581 /nfs/dbraw/zinc/09/05/81/526090581.db2.gz IWMCGECEVJTXNL-QWHCGFSZSA-N 1 0 300.358 4.021 20 5 DIBDRO CC[NH+](CC)C[C@H](C)Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001227130359 1052963891 /nfs/dbraw/zinc/96/38/91/1052963891.db2.gz QPGOMKIFWSPITH-VIFPVBQESA-N 1 0 321.204 4.011 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000609705317 1036027797 /nfs/dbraw/zinc/02/77/97/1036027797.db2.gz UIJMJDXWIUSGCN-OAHLLOKOSA-N 1 0 308.809 4.403 20 5 DIBDRO CC(C)CC[N@H+](CC[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC001167115519 1036109477 /nfs/dbraw/zinc/10/94/77/1036109477.db2.gz DZXYGLKVFPTKML-UHFFFAOYSA-N 1 0 319.232 4.118 20 5 DIBDRO O=[N+]([O-])c1cccc(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001204456447 1036243194 /nfs/dbraw/zinc/24/31/94/1036243194.db2.gz MYRVYFKCIRGALT-UHFFFAOYSA-N 1 0 311.385 4.324 20 5 DIBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CCCC1 ZINC001167178944 1036244840 /nfs/dbraw/zinc/24/48/40/1036244840.db2.gz PZDNVDLKJVUARF-GOSISDBHSA-N 1 0 320.433 4.010 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000070788210 1036267263 /nfs/dbraw/zinc/26/72/63/1036267263.db2.gz MPESSTNWZWFISU-GHMZBOCLSA-N 1 0 306.312 4.285 20 5 DIBDRO Cc1csc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000599033575 1036456389 /nfs/dbraw/zinc/45/63/89/1036456389.db2.gz WUTUMJKYCXBMTC-ZDUSSCGKSA-N 1 0 319.430 4.033 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000219860481 1036464475 /nfs/dbraw/zinc/46/44/75/1036464475.db2.gz BZMJOFINWVBSGH-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(CC3CCC3)c2)cc1 ZINC001648882195 1036670560 /nfs/dbraw/zinc/67/05/60/1036670560.db2.gz ARWQNUMHYGEWEB-UHFFFAOYSA-N 1 0 310.397 4.227 20 5 DIBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001167336797 1036800784 /nfs/dbraw/zinc/80/07/84/1036800784.db2.gz BRTNIVPWNYKXJX-QWRGUYRKSA-N 1 0 316.323 4.377 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000049963627 1036968077 /nfs/dbraw/zinc/96/80/77/1036968077.db2.gz CRGRMDMXQTVDNC-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000255331889 1037030335 /nfs/dbraw/zinc/03/03/35/1037030335.db2.gz ABJFZORHVWUKCG-STISFXCESA-N 1 0 323.396 4.149 20 5 DIBDRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000610420465 1037046944 /nfs/dbraw/zinc/04/69/44/1037046944.db2.gz OGDAQQISGCXSDV-ZDUSSCGKSA-N 1 0 314.360 4.464 20 5 DIBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537853145 1037358037 /nfs/dbraw/zinc/35/80/37/1037358037.db2.gz WFYGAMCVUOUOOJ-SWLSCSKDSA-N 1 0 315.373 4.013 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000393365883 1037469493 /nfs/dbraw/zinc/46/94/93/1037469493.db2.gz BZJSFBNTIZQHOI-UHFFFAOYSA-N 1 0 316.788 4.284 20 5 DIBDRO CCC1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610580953 1037640307 /nfs/dbraw/zinc/64/03/07/1037640307.db2.gz LQCRAGRTFDQHSY-UHFFFAOYSA-N 1 0 317.389 4.137 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] ZINC000537981332 1037701129 /nfs/dbraw/zinc/70/11/29/1037701129.db2.gz GXWYQEDNWUVDDH-HIFRSBDPSA-N 1 0 314.385 4.021 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610517750 1037809370 /nfs/dbraw/zinc/80/93/70/1037809370.db2.gz ORYNMALVPHTWOX-AWEZNQCLSA-N 1 0 313.401 4.007 20 5 DIBDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000602807351 1038092486 /nfs/dbraw/zinc/09/24/86/1038092486.db2.gz YBWQMCIONAQJDI-AWEZNQCLSA-N 1 0 313.401 4.074 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000175984800 1038145726 /nfs/dbraw/zinc/14/57/26/1038145726.db2.gz HPNAYPMINNPZCD-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO Cc1ccc(C[NH2+]CCCn2ccc3ccccc32)cc1[N+](=O)[O-] ZINC000061013883 1038165339 /nfs/dbraw/zinc/16/53/39/1038165339.db2.gz BYEVPOICJXSLRV-UHFFFAOYSA-N 1 0 323.396 4.038 20 5 DIBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582171 1038200270 /nfs/dbraw/zinc/20/02/70/1038200270.db2.gz FMNRXWVGYZTTOT-WFASDCNBSA-N 1 0 317.389 4.137 20 5 DIBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581461 1038202231 /nfs/dbraw/zinc/20/22/31/1038202231.db2.gz FPYAXRUMJCZCGH-ZDUSSCGKSA-N 1 0 317.389 4.137 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000598994170 1038210831 /nfs/dbraw/zinc/21/08/31/1038210831.db2.gz WVTYIZZEGCUGIQ-ZAOIQFLMSA-N 1 0 323.396 4.134 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cs1 ZINC000599006884 1038213032 /nfs/dbraw/zinc/21/30/32/1038213032.db2.gz MRLVARUPLOMTHC-AWEZNQCLSA-N 1 0 322.817 4.477 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)cs1 ZINC000599022521 1038215297 /nfs/dbraw/zinc/21/52/97/1038215297.db2.gz MRLVARUPLOMTHC-CQSZACIVSA-N 1 0 322.817 4.477 20 5 DIBDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000599064842 1038229296 /nfs/dbraw/zinc/22/92/96/1038229296.db2.gz FSESRBGVVJOJFL-FZKQIMNGSA-N 1 0 311.385 4.182 20 5 DIBDRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599078110 1038235785 /nfs/dbraw/zinc/23/57/85/1038235785.db2.gz GTVHMVUVXZCJHB-LLVKDONJSA-N 1 0 300.349 4.317 20 5 DIBDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000603601812 1038252533 /nfs/dbraw/zinc/25/25/33/1038252533.db2.gz LCEDGCFLAYPFNG-UHFFFAOYSA-N 1 0 304.777 4.270 20 5 DIBDRO COc1ccc([C@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000603837508 1038293173 /nfs/dbraw/zinc/29/31/73/1038293173.db2.gz NZKPYRWCFHLWSV-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000603855833 1038301710 /nfs/dbraw/zinc/30/17/10/1038301710.db2.gz VZDCUPMFRSURMG-SFHVURJKSA-N 1 0 310.397 4.192 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000603855665 1038301845 /nfs/dbraw/zinc/30/18/45/1038301845.db2.gz AUSYRPJYXYHFNL-GOSISDBHSA-N 1 0 310.397 4.192 20 5 DIBDRO CC[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000320224684 1038354722 /nfs/dbraw/zinc/35/47/22/1038354722.db2.gz ZWPMGKLVKOXLTK-KRWDZBQOSA-N 1 0 320.339 4.156 20 5 DIBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000061558018 1038408248 /nfs/dbraw/zinc/40/82/48/1038408248.db2.gz NUZNKHZJEWDLRR-QGZVFWFLSA-N 1 0 302.349 4.221 20 5 DIBDRO Cc1ccccc1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000604492683 1038420391 /nfs/dbraw/zinc/42/03/91/1038420391.db2.gz HBGQAXAXEBHDPN-UHFFFAOYSA-N 1 0 310.397 4.110 20 5 DIBDRO CCC[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000061780655 1038450671 /nfs/dbraw/zinc/45/06/71/1038450671.db2.gz HIASBXXLPHRXMZ-UHFFFAOYSA-N 1 0 314.385 4.016 20 5 DIBDRO CC(C)[NH+](CCSCc1csc([N+](=O)[O-])c1)C(C)C ZINC000342261520 1038505133 /nfs/dbraw/zinc/50/51/33/1038505133.db2.gz IFROSBUUBXNQHH-UHFFFAOYSA-N 1 0 302.465 4.008 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC(F)(F)C2)s1 ZINC000277417861 1038549664 /nfs/dbraw/zinc/54/96/64/1038549664.db2.gz GIBKQEBQSUEQQA-UHFFFAOYSA-N 1 0 324.352 4.211 20 5 DIBDRO Cc1cccnc1[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000934293084 1038583658 /nfs/dbraw/zinc/58/36/58/1038583658.db2.gz UMXINXQEGROURP-QGZVFWFLSA-N 1 0 313.401 4.175 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C(F)F)cc1 ZINC000582191544 1038609104 /nfs/dbraw/zinc/60/91/04/1038609104.db2.gz AZCKPXSVFPIIPE-OAHLLOKOSA-N 1 0 318.323 4.310 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2occc2c1 ZINC000582268267 1038623193 /nfs/dbraw/zinc/62/31/93/1038623193.db2.gz FWVXBRLGSORYDX-UHFFFAOYSA-N 1 0 310.353 4.016 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCC(F)(F)CC1 ZINC000594046597 1038636005 /nfs/dbraw/zinc/63/60/05/1038636005.db2.gz WWYHIKAXCRPOCN-SNVBAGLBSA-N 1 0 316.323 4.038 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000478489111 1038654791 /nfs/dbraw/zinc/65/47/91/1038654791.db2.gz KQGFXTFVYGRZLW-ZTFGCOKTSA-N 1 0 310.397 4.185 20 5 DIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccsc1[N+](=O)[O-] ZINC000063256650 1038680202 /nfs/dbraw/zinc/68/02/02/1038680202.db2.gz PWABOFKKZAZMHR-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO CC[NH+](CC)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccccc1 ZINC000063256225 1038682178 /nfs/dbraw/zinc/68/21/78/1038682178.db2.gz HZXLNQXKDRSXCD-HNNXBMFYSA-N 1 0 319.430 4.151 20 5 DIBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000479828617 1038739044 /nfs/dbraw/zinc/73/90/44/1038739044.db2.gz FTWODHIFPVBONY-NSHDSACASA-N 1 0 306.312 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC=CCC3)s2)cc1 ZINC000611521129 1038774700 /nfs/dbraw/zinc/77/47/00/1038774700.db2.gz CKCYAKHBCVOHGU-UHFFFAOYSA-N 1 0 300.383 4.085 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1ccsc1 ZINC000076199851 1038837334 /nfs/dbraw/zinc/83/73/34/1038837334.db2.gz UKUWVYPTNDHXAH-OAHLLOKOSA-N 1 0 318.398 4.002 20 5 DIBDRO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178651326 1038848389 /nfs/dbraw/zinc/84/83/89/1038848389.db2.gz PLAQSKLGORRNNW-KGLIPLIRSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608836372 1038929467 /nfs/dbraw/zinc/92/94/67/1038929467.db2.gz ATHFXJFIAOQZIE-NEPJUHHUSA-N 1 0 302.399 4.069 20 5 DIBDRO CCC[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000608834740 1038929657 /nfs/dbraw/zinc/92/96/57/1038929657.db2.gz DECUHQKRXQETAA-LBPRGKRZSA-N 1 0 318.373 4.142 20 5 DIBDRO CC(C)(C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608836861 1038929792 /nfs/dbraw/zinc/92/97/92/1038929792.db2.gz VEWILWDTDDMKHV-UHFFFAOYSA-N 1 0 302.374 4.381 20 5 DIBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001167620696 1038950203 /nfs/dbraw/zinc/95/02/03/1038950203.db2.gz QOGXJFCSONULFJ-NVXWUHKLSA-N 1 0 310.397 4.048 20 5 DIBDRO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000178686433 1038975452 /nfs/dbraw/zinc/97/54/52/1038975452.db2.gz WKXZMDYKJWWMHT-YGRLFVJLSA-N 1 0 317.414 4.088 20 5 DIBDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178703100 1039025283 /nfs/dbraw/zinc/02/52/83/1039025283.db2.gz VFSKHZFIIGUQRD-WMLDXEAASA-N 1 0 313.401 4.346 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000061362320 1039046127 /nfs/dbraw/zinc/04/61/27/1039046127.db2.gz SWXVFUAOPDQEKF-CQSZACIVSA-N 1 0 302.399 4.132 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C2(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000539657057 1039312621 /nfs/dbraw/zinc/31/26/21/1039312621.db2.gz RIJFPCXHUBTTEB-CYBMUJFWSA-N 1 0 314.360 4.382 20 5 DIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000539824372 1039342552 /nfs/dbraw/zinc/34/25/52/1039342552.db2.gz ASORUHVWCOEPHC-CABCVRRESA-N 1 0 308.447 4.009 20 5 DIBDRO COc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000161792980 1039395676 /nfs/dbraw/zinc/39/56/76/1039395676.db2.gz BLDVNIJIHHASRZ-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CCC[C@H]([NH2+]CCC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000340441222 1039414595 /nfs/dbraw/zinc/41/45/95/1039414595.db2.gz VOHGXVPYYCHXQF-KRWDZBQOSA-N 1 0 320.433 4.232 20 5 DIBDRO CC[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000540164787 1039440209 /nfs/dbraw/zinc/44/02/09/1039440209.db2.gz XILCEPDEXOWTIX-YSTOQKLRSA-N 1 0 322.408 4.221 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000540610036 1039527938 /nfs/dbraw/zinc/52/79/38/1039527938.db2.gz JMGXXMLKUKZHRH-WCQYABFASA-N 1 0 316.323 4.053 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000540608346 1039528665 /nfs/dbraw/zinc/52/86/65/1039528665.db2.gz UUVWFGLPGNXEIW-HYXAFXHYSA-N 1 0 312.344 4.026 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000248132707 1039554015 /nfs/dbraw/zinc/55/40/15/1039554015.db2.gz ORMBLUJNYISHEM-BFHYXJOUSA-N 1 0 308.447 4.228 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000090068583 1039591600 /nfs/dbraw/zinc/59/16/00/1039591600.db2.gz DGWNSMQMAQVEAY-ZWKOTPCHSA-N 1 0 314.360 4.462 20 5 DIBDRO Cc1ncc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000601297755 1039592890 /nfs/dbraw/zinc/59/28/90/1039592890.db2.gz DBMPQOQFUPJCNY-BONVTDFDSA-N 1 0 317.414 4.088 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC000193024762 1039617852 /nfs/dbraw/zinc/61/78/52/1039617852.db2.gz QTWQUDRZTOCDDQ-JKSUJKDBSA-N 1 0 300.358 4.306 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC000193024773 1039619700 /nfs/dbraw/zinc/61/97/00/1039619700.db2.gz QTWQUDRZTOCDDQ-HZPDHXFCSA-N 1 0 300.358 4.306 20 5 DIBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000601298627 1039678542 /nfs/dbraw/zinc/67/85/42/1039678542.db2.gz PCMDQLCNLKDQQH-NWDGAFQWSA-N 1 0 319.430 4.032 20 5 DIBDRO COC1CCC(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000541779592 1039743827 /nfs/dbraw/zinc/74/38/27/1039743827.db2.gz YOSQMDAPJGWECR-QQFBHYJXSA-N 1 0 320.433 4.149 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000090224574 1039775131 /nfs/dbraw/zinc/77/51/31/1039775131.db2.gz RZPPXRBJFHZFAH-KRWDZBQOSA-N 1 0 309.369 4.317 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1N(C)C ZINC000271847953 1039846777 /nfs/dbraw/zinc/84/67/77/1039846777.db2.gz WZKMBEPVKPJWOZ-KBPBESRZSA-N 1 0 313.401 4.073 20 5 DIBDRO CCOc1cc(C[NH2+][C@H](CC)c2cccs2)ccc1[N+](=O)[O-] ZINC000491598803 1039864005 /nfs/dbraw/zinc/86/40/05/1039864005.db2.gz KRZRIHFLLLTRIG-CYBMUJFWSA-N 1 0 320.414 4.296 20 5 DIBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000491906425 1039890990 /nfs/dbraw/zinc/89/09/90/1039890990.db2.gz BDBITVGTGXMZSK-GLJUWKHASA-N 1 0 314.385 4.022 20 5 DIBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000491906427 1039891681 /nfs/dbraw/zinc/89/16/81/1039891681.db2.gz BDBITVGTGXMZSK-IYOUNJFTSA-N 1 0 314.385 4.022 20 5 DIBDRO CCOc1cc(C[N@H+](CC)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000492355878 1039954332 /nfs/dbraw/zinc/95/43/32/1039954332.db2.gz IIGMHUMCVVIDQG-UHFFFAOYSA-N 1 0 314.385 4.016 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000492402061 1039959789 /nfs/dbraw/zinc/95/97/89/1039959789.db2.gz WTIHMGQNZGQAOY-WDEREUQCSA-N 1 0 304.312 4.367 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000152255370 1040006727 /nfs/dbraw/zinc/00/67/27/1040006727.db2.gz ZAIWAYGRLPKGQP-WBMJQRKESA-N 1 0 300.358 4.224 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000612582080 1040644851 /nfs/dbraw/zinc/64/48/51/1040644851.db2.gz SYDXDJDQESXQLU-AAEUAGOBSA-N 1 0 316.323 4.066 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccccc2)c2ccccc2)c1 ZINC000179975714 1040661561 /nfs/dbraw/zinc/66/15/61/1040661561.db2.gz GFVBJYSRMLUICT-HXUWFJFHSA-N 1 0 318.376 4.474 20 5 DIBDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000066236458 1040737424 /nfs/dbraw/zinc/73/74/24/1040737424.db2.gz GZFROCSQHOCETL-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000173361522 1040886186 /nfs/dbraw/zinc/88/61/86/1040886186.db2.gz NOPFVJMWJMOQSM-APPDUMDISA-N 1 0 300.333 4.072 20 5 DIBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987283 1041288707 /nfs/dbraw/zinc/28/87/07/1041288707.db2.gz UMRMTYNVEFTRBS-PELKAZGASA-N 1 0 303.189 4.180 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1 ZINC000120169764 1041358247 /nfs/dbraw/zinc/35/82/47/1041358247.db2.gz DISOFXDQWOIKLM-SFHVURJKSA-N 1 0 311.385 4.107 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000120166626 1041359403 /nfs/dbraw/zinc/35/94/03/1041359403.db2.gz VGVCKXGHINLUTK-QGZVFWFLSA-N 1 0 311.385 4.107 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000104706266 1041557452 /nfs/dbraw/zinc/55/74/52/1041557452.db2.gz XCJRDKRYRYNOLR-SFHVURJKSA-N 1 0 314.360 4.365 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417354024 1041662732 /nfs/dbraw/zinc/66/27/32/1041662732.db2.gz YORBBUWZZDZJCZ-SHUKQUCYSA-N 1 0 316.426 4.499 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000093116049 1041876591 /nfs/dbraw/zinc/87/65/91/1041876591.db2.gz JYHIHVFTVDCVFT-QGZVFWFLSA-N 1 0 314.360 4.210 20 5 DIBDRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555728 1041962563 /nfs/dbraw/zinc/96/25/63/1041962563.db2.gz GUHYFHPUDGEJCX-QFYYESIMSA-N 1 0 317.414 4.040 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000815587884 1041968480 /nfs/dbraw/zinc/96/84/80/1041968480.db2.gz WTDOKRICAYKOFF-NEPJUHHUSA-N 1 0 317.364 4.036 20 5 DIBDRO CC(C)c1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815617944 1041975150 /nfs/dbraw/zinc/97/51/50/1041975150.db2.gz YZKBIYCSKNPMBK-ZDUSSCGKSA-N 1 0 313.401 4.151 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000112017760 1041993350 /nfs/dbraw/zinc/99/33/50/1041993350.db2.gz KBDFFEVHYBFZQM-OAHLLOKOSA-N 1 0 302.761 4.025 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000069878783 1042149767 /nfs/dbraw/zinc/14/97/67/1042149767.db2.gz RBSIVRRQJCUBCY-UHFFFAOYSA-N 1 0 302.761 4.027 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000314642512 1042164383 /nfs/dbraw/zinc/16/43/83/1042164383.db2.gz CEABAVAMWNTASR-YVEFUNNKSA-N 1 0 314.410 4.234 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000236997734 1042575693 /nfs/dbraw/zinc/57/56/93/1042575693.db2.gz NUVCXJIJOGUQCE-QGZVFWFLSA-N 1 0 302.349 4.017 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000421848354 1042660200 /nfs/dbraw/zinc/66/02/00/1042660200.db2.gz ADWCLEJZXYMJKH-GOEBONIOSA-N 1 0 320.458 4.169 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000515777017 1042835033 /nfs/dbraw/zinc/83/50/33/1042835033.db2.gz VTXHYPWKCSNQFQ-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000108423122 1042911458 /nfs/dbraw/zinc/91/14/58/1042911458.db2.gz AXNXCSARCXHTIE-SFHVURJKSA-N 1 0 314.360 4.283 20 5 DIBDRO O[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)C(F)(F)F ZINC000140035044 1042914000 /nfs/dbraw/zinc/91/40/00/1042914000.db2.gz LQMJSIFPDZCAHL-QGZVFWFLSA-N 1 0 319.326 4.006 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000266430274 1042952160 /nfs/dbraw/zinc/95/21/60/1042952160.db2.gz DBZCWPGYCHYNST-SWLSCSKDSA-N 1 0 314.410 4.483 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266454851 1042957805 /nfs/dbraw/zinc/95/78/05/1042957805.db2.gz KHWNDLXLILVMAQ-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266487784 1042971662 /nfs/dbraw/zinc/97/16/62/1042971662.db2.gz RSMLMNBYPKEJMC-QWHCGFSZSA-N 1 0 300.358 4.015 20 5 DIBDRO CC[N@H+](Cc1cccs1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048970436 1043009342 /nfs/dbraw/zinc/00/93/42/1043009342.db2.gz CYNGUKWVXMFKHC-UHFFFAOYSA-N 1 0 310.806 4.332 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000441375937 1043044246 /nfs/dbraw/zinc/04/42/46/1043044246.db2.gz CHPVHHKDNNQMEP-CRAIPNDOSA-N 1 0 300.402 4.478 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000441375940 1043044618 /nfs/dbraw/zinc/04/46/18/1043044618.db2.gz CHPVHHKDNNQMEP-MAUKXSAKSA-N 1 0 300.402 4.478 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000178248058 1043123606 /nfs/dbraw/zinc/12/36/06/1043123606.db2.gz VQSGKPQPALITTM-HNNXBMFYSA-N 1 0 319.792 4.274 20 5 DIBDRO Cc1ccc(C[NH2+]C2CCC(OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000865699395 1043126122 /nfs/dbraw/zinc/12/61/22/1043126122.db2.gz YXSLUUXQNVFMBN-UHFFFAOYSA-N 1 0 320.433 4.119 20 5 DIBDRO COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178645610 1043134364 /nfs/dbraw/zinc/13/43/64/1043134364.db2.gz ZQKXARGBAOJWLJ-NSHDSACASA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000179404600 1043144512 /nfs/dbraw/zinc/14/45/12/1043144512.db2.gz KFXDZZZETWMBJN-KBPBESRZSA-N 1 0 313.401 4.073 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000179404615 1043145289 /nfs/dbraw/zinc/14/52/89/1043145289.db2.gz KFXDZZZETWMBJN-KGLIPLIRSA-N 1 0 313.401 4.073 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441490045 1043182397 /nfs/dbraw/zinc/18/23/97/1043182397.db2.gz VJVKKZFKJCHAHN-TYNCELHUSA-N 1 0 308.809 4.401 20 5 DIBDRO CC(C)c1nc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184722909 1043188820 /nfs/dbraw/zinc/18/88/20/1043188820.db2.gz NXMXQVHEFVVOJW-LBPRGKRZSA-N 1 0 319.430 4.068 20 5 DIBDRO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000866452033 1043205099 /nfs/dbraw/zinc/20/50/99/1043205099.db2.gz TZFHIWUKRNKARB-BZOOQXSSSA-N 1 0 320.433 4.372 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441536285 1043207718 /nfs/dbraw/zinc/20/77/18/1043207718.db2.gz SWCJMAXUKRSNPB-HZPDHXFCSA-N 1 0 310.397 4.454 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C/C=C/C2CC2)s1 ZINC001202521504 1043217752 /nfs/dbraw/zinc/21/77/52/1043217752.db2.gz WJTAZYOUAWSRTD-ONEGZZNKSA-N 1 0 314.410 4.379 20 5 DIBDRO CC[C@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000186581093 1043230060 /nfs/dbraw/zinc/23/00/60/1043230060.db2.gz STJKFPOILGRLEH-NHYWBVRUSA-N 1 0 319.430 4.204 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000266887413 1043253912 /nfs/dbraw/zinc/25/39/12/1043253912.db2.gz QIARANFNISSMLJ-SRVKXCTJSA-N 1 0 316.323 4.367 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000192352588 1043270591 /nfs/dbraw/zinc/27/05/91/1043270591.db2.gz ULVWWKCBSAWBAI-PXAZEXFGSA-N 1 0 312.369 4.029 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000268716619 1043325176 /nfs/dbraw/zinc/32/51/76/1043325176.db2.gz IUAQTHPDWHJIPJ-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO CSCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872039932 1043430410 /nfs/dbraw/zinc/43/04/10/1043430410.db2.gz WNEJEGJUUSPUAP-NSHDSACASA-N 1 0 314.476 4.111 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000271570498 1043438931 /nfs/dbraw/zinc/43/89/31/1043438931.db2.gz VOMXHZBVSAHWKI-JJRVBVJISA-N 1 0 320.433 4.148 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000271570499 1043439483 /nfs/dbraw/zinc/43/94/83/1043439483.db2.gz VOMXHZBVSAHWKI-VBQJREDUSA-N 1 0 320.433 4.148 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060894 1043443937 /nfs/dbraw/zinc/44/39/37/1043443937.db2.gz BCFJCVDLJXCROT-RKDXNWHRSA-N 1 0 308.275 4.116 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC(F)(F)CC1 ZINC000558181868 1043453044 /nfs/dbraw/zinc/45/30/44/1043453044.db2.gz UDZDIBPUNKJXHR-UHFFFAOYSA-N 1 0 318.751 4.258 20 5 DIBDRO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872084477 1043453474 /nfs/dbraw/zinc/45/34/74/1043453474.db2.gz SJRHBIGUISWFFF-QCZZGDTMSA-N 1 0 318.751 4.089 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000872129585 1043471199 /nfs/dbraw/zinc/47/11/99/1043471199.db2.gz QIARANFNISSMLJ-GRYCIOLGSA-N 1 0 316.323 4.367 20 5 DIBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000521827553 1043479911 /nfs/dbraw/zinc/47/99/11/1043479911.db2.gz POEYTQSRXRFJAA-SWLSCSKDSA-N 1 0 300.358 4.133 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000443106747 1043490717 /nfs/dbraw/zinc/49/07/17/1043490717.db2.gz XHRXDXKXESRWIX-MRXNPFEDSA-N 1 0 304.415 4.330 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCC(OC(C)C)CC1 ZINC000873094738 1043517042 /nfs/dbraw/zinc/51/70/42/1043517042.db2.gz CFCOGSGJBXMMHP-UHFFFAOYSA-N 1 0 320.433 4.037 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC(F)(F)C1 ZINC000873197757 1043526420 /nfs/dbraw/zinc/52/64/20/1043526420.db2.gz AVCNXFYJWNIFDQ-UHFFFAOYSA-N 1 0 322.311 4.132 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267470471 1043577583 /nfs/dbraw/zinc/57/75/83/1043577583.db2.gz XQDJCTVAWKVYED-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCSC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000927040097 1043672158 /nfs/dbraw/zinc/67/21/58/1043672158.db2.gz WUJODSIXRIUKHZ-ZIAGYGMSSA-N 1 0 320.458 4.372 20 5 DIBDRO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151717313 1044033202 /nfs/dbraw/zinc/03/32/02/1044033202.db2.gz MIXWLNCJWMBHLL-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000561958583 1044034913 /nfs/dbraw/zinc/03/49/13/1044034913.db2.gz QJZFVGNSNCARDM-HNNXBMFYSA-N 1 0 302.399 4.239 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(Cc1ccccc1)C1CC1 ZINC000522537655 1044038261 /nfs/dbraw/zinc/03/82/61/1044038261.db2.gz GDYAQBSRHSEQDF-UHFFFAOYSA-N 1 0 316.788 4.413 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000291304383 1044054134 /nfs/dbraw/zinc/05/41/34/1044054134.db2.gz SQKVMNRZGCZPHP-PXAZEXFGSA-N 1 0 312.369 4.029 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000358989710 1044117916 /nfs/dbraw/zinc/11/79/16/1044117916.db2.gz BFUJRRPKAVLNOA-LBPRGKRZSA-N 1 0 317.364 4.103 20 5 DIBDRO CC[C@@H]([NH2+]CC1(C)CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000359003369 1044119534 /nfs/dbraw/zinc/11/95/34/1044119534.db2.gz QWJYHCCBRPSBNY-LXPRWKDFSA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1cccnc1[C@@H](NCc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000934293459 1044234827 /nfs/dbraw/zinc/23/48/27/1044234827.db2.gz WIKPGBJALBXVCU-OAHLLOKOSA-N 1 0 319.430 4.237 20 5 DIBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000475155802 1044286947 /nfs/dbraw/zinc/28/69/47/1044286947.db2.gz KVFZOIAMOUAZIZ-KBPBESRZSA-N 1 0 317.389 4.040 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000523007807 1044296152 /nfs/dbraw/zinc/29/61/52/1044296152.db2.gz XUFWUFUVIVZWIJ-BXUZGUMPSA-N 1 0 320.389 4.173 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1c(C)onc1CC)c1cccc([N+](=O)[O-])c1 ZINC000293569676 1044298589 /nfs/dbraw/zinc/29/85/89/1044298589.db2.gz BFAVUPRZOQWRDF-QGZVFWFLSA-N 1 0 317.389 4.085 20 5 DIBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000523008074 1044305982 /nfs/dbraw/zinc/30/59/82/1044305982.db2.gz FXERGIOBYDROAP-CYBMUJFWSA-N 1 0 318.804 4.311 20 5 DIBDRO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293790388 1044328461 /nfs/dbraw/zinc/32/84/61/1044328461.db2.gz MNIINDHJUMECLR-CYBMUJFWSA-N 1 0 313.401 4.272 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000564035621 1044332409 /nfs/dbraw/zinc/33/24/09/1044332409.db2.gz UTOGPYRXZUAEKO-HNNXBMFYSA-N 1 0 323.396 4.149 20 5 DIBDRO CSc1ccccc1C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000475279387 1044338839 /nfs/dbraw/zinc/33/88/39/1044338839.db2.gz NMFCQNSJRNKOSW-UHFFFAOYSA-N 1 0 316.426 4.257 20 5 DIBDRO Cc1cc(Cl)nc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000282844804 1044348189 /nfs/dbraw/zinc/34/81/89/1044348189.db2.gz TTXVHLYGAUJDPF-LBPRGKRZSA-N 1 0 319.792 4.111 20 5 DIBDRO CC[C@H]([NH2+]CCCNc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000361521181 1044414512 /nfs/dbraw/zinc/41/45/12/1044414512.db2.gz ZJFZUBFUHSVVMS-SFHVURJKSA-N 1 0 313.401 4.138 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)cs1 ZINC000475560783 1044503234 /nfs/dbraw/zinc/50/32/34/1044503234.db2.gz VSDUJFRVMLNPIZ-ZFWWWQNUSA-N 1 0 320.389 4.221 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127256231 1044528713 /nfs/dbraw/zinc/52/87/13/1044528713.db2.gz NOJXNCZVUVUMQE-LSDHHAIUSA-N 1 0 318.417 4.046 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000566937881 1044529770 /nfs/dbraw/zinc/52/97/70/1044529770.db2.gz FTBWFFGSRAQJHG-BETUJISGSA-N 1 0 316.323 4.148 20 5 DIBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC=CCC1 ZINC001202778527 1044532743 /nfs/dbraw/zinc/53/27/43/1044532743.db2.gz HGJJQEZEOAOFIZ-GOSISDBHSA-N 1 0 312.369 4.443 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000296230542 1044600150 /nfs/dbraw/zinc/60/01/50/1044600150.db2.gz AHDYGDALZXZVLP-STQMWFEESA-N 1 0 312.369 4.037 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000568538549 1044631983 /nfs/dbraw/zinc/63/19/83/1044631983.db2.gz BZJSFBNTIZQHOI-HDJSIYSDSA-N 1 0 316.788 4.284 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(F)F ZINC000296631640 1044635821 /nfs/dbraw/zinc/63/58/21/1044635821.db2.gz BKGMLFKGNBUXDY-LLVKDONJSA-N 1 0 318.389 4.100 20 5 DIBDRO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296717220 1044644699 /nfs/dbraw/zinc/64/46/99/1044644699.db2.gz MQDAHSORZAFMHF-ZDUSSCGKSA-N 1 0 313.401 4.272 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000445878433 1044841594 /nfs/dbraw/zinc/84/15/94/1044841594.db2.gz SICAACHIDUCAQZ-LLVKDONJSA-N 1 0 324.730 4.315 20 5 DIBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000445995327 1044870748 /nfs/dbraw/zinc/87/07/48/1044870748.db2.gz SMEDOOPBFAFRGV-RHSMWYFYSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000524595052 1044882425 /nfs/dbraw/zinc/88/24/25/1044882425.db2.gz AFVLUNZJLXJAGM-ZFWWWQNUSA-N 1 0 316.426 4.343 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CCC(F)(F)CC1)CCC2 ZINC000337549781 1044917799 /nfs/dbraw/zinc/91/77/99/1044917799.db2.gz NSZMJLFZTFFQQV-MRXNPFEDSA-N 1 0 324.371 4.387 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000133633228 1044942268 /nfs/dbraw/zinc/94/22/68/1044942268.db2.gz UIFKIMOCNHWUAJ-DYVFJYSZSA-N 1 0 312.369 4.159 20 5 DIBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000525122112 1044990361 /nfs/dbraw/zinc/99/03/61/1044990361.db2.gz UEXNWLFDFYIHBA-HNAYVOBHSA-N 1 0 310.397 4.220 20 5 DIBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000525636362 1045101619 /nfs/dbraw/zinc/10/16/19/1045101619.db2.gz SYLBAZCQRMSIFZ-OXJNMPFZSA-N 1 0 324.424 4.263 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCc3occc32)cc1 ZINC000447587063 1045152658 /nfs/dbraw/zinc/15/26/58/1045152658.db2.gz QCZCIUSWONBEAS-KRWDZBQOSA-N 1 0 314.385 4.178 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)CCC2 ZINC000447587075 1045153183 /nfs/dbraw/zinc/15/31/83/1045153183.db2.gz OJACXLWKPWIDQY-RTBURBONSA-N 1 0 323.396 4.108 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(F)F)nc2)cc1[N+](=O)[O-] ZINC000601107815 1045188629 /nfs/dbraw/zinc/18/86/29/1045188629.db2.gz ABGPPSFWQJMXBG-NSHDSACASA-N 1 0 321.327 4.087 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2ccccc21 ZINC000447945101 1045189752 /nfs/dbraw/zinc/18/97/52/1045189752.db2.gz VCEQKDCGTSTOHG-FIIODCPWSA-N 1 0 308.381 4.275 20 5 DIBDRO O=[N+]([O-])c1cc(CNCc2ccsc2C(F)(F)F)cs1 ZINC000601136682 1045192304 /nfs/dbraw/zinc/19/23/04/1045192304.db2.gz JIIQTVULTSHXSB-UHFFFAOYSA-N 1 0 322.333 4.026 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000527249528 1045208541 /nfs/dbraw/zinc/20/85/41/1045208541.db2.gz CYHXGBWSDKPPIA-INIZCTEOSA-N 1 0 314.360 4.032 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000557827997 1045236804 /nfs/dbraw/zinc/23/68/04/1045236804.db2.gz NTYHNXVRTTXCHC-UHFFFAOYSA-N 1 0 304.312 4.150 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000579270048 1045303661 /nfs/dbraw/zinc/30/36/61/1045303661.db2.gz MNHQMGFDULUJIG-KBPBESRZSA-N 1 0 313.401 4.272 20 5 DIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000779198449 1045369385 /nfs/dbraw/zinc/36/93/85/1045369385.db2.gz YEUZRRRXCWSORX-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000779198446 1045369492 /nfs/dbraw/zinc/36/94/92/1045369492.db2.gz YEUZRRRXCWSORX-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350835 1045380048 /nfs/dbraw/zinc/38/00/48/1045380048.db2.gz WTIHMGQNZGQAOY-MNOVXSKESA-N 1 0 304.312 4.367 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000449347903 1045380194 /nfs/dbraw/zinc/38/01/94/1045380194.db2.gz JQISUJCQOJJUID-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449365726 1045382297 /nfs/dbraw/zinc/38/22/97/1045382297.db2.gz UUPLXNPGENUUPX-DMDPSCGWSA-N 1 0 316.323 4.146 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(CC4)C3)o2)c(Cl)c1 ZINC000449371301 1045383059 /nfs/dbraw/zinc/38/30/59/1045383059.db2.gz STGDBENFCAWROF-UHFFFAOYSA-N 1 0 318.760 4.104 20 5 DIBDRO CSCC1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449420405 1045393339 /nfs/dbraw/zinc/39/33/39/1045393339.db2.gz FLKKTIBEFNHRJM-VQCLRJIVSA-N 1 0 322.474 4.037 20 5 DIBDRO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1[N+](=O)[O-] ZINC000449460170 1045395730 /nfs/dbraw/zinc/39/57/30/1045395730.db2.gz MRANBMNFDAVJGV-DGCLKSJQSA-N 1 0 316.323 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000800273928 1045600404 /nfs/dbraw/zinc/60/04/04/1045600404.db2.gz ILYMCZUBKQFHOB-SNVBAGLBSA-N 1 0 318.751 4.163 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1 ZINC000752094085 1045658673 /nfs/dbraw/zinc/65/86/73/1045658673.db2.gz VBJMWIJGYZEHOE-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)cc1 ZINC000451543412 1045694205 /nfs/dbraw/zinc/69/42/05/1045694205.db2.gz BJOXQISTYIVXFQ-HIFRSBDPSA-N 1 0 324.371 4.210 20 5 DIBDRO CC(C)[N@H+](Cc1cccc(F)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801512379 1045726808 /nfs/dbraw/zinc/72/68/08/1045726808.db2.gz UNGQQQMARILFFK-UHFFFAOYSA-N 1 0 320.339 4.284 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517290 1045728159 /nfs/dbraw/zinc/72/81/59/1045728159.db2.gz LZBNLSIIUCXQDH-BBRMVZONSA-N 1 0 314.360 4.112 20 5 DIBDRO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801529770 1045730541 /nfs/dbraw/zinc/73/05/41/1045730541.db2.gz QFPGGULFGPKYTH-KRWDZBQOSA-N 1 0 302.349 4.149 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801528997 1045731981 /nfs/dbraw/zinc/73/19/81/1045731981.db2.gz YDEKUCIUNQAANW-MRXNPFEDSA-N 1 0 302.349 4.365 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cc2ccccc2o1 ZINC000801545062 1045735745 /nfs/dbraw/zinc/73/57/45/1045735745.db2.gz GEUJQIFRYFIRGM-LLVKDONJSA-N 1 0 314.316 4.331 20 5 DIBDRO CCC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000530968172 1045764440 /nfs/dbraw/zinc/76/44/40/1045764440.db2.gz UPIVVGMSRNUFOF-UHFFFAOYSA-N 1 0 300.358 4.277 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000078971123 1045796544 /nfs/dbraw/zinc/79/65/44/1045796544.db2.gz RZUVPADNNTZPQH-WDEREUQCSA-N 1 0 306.312 4.285 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CC1CC1)C1CCC1 ZINC000475681352 1045908083 /nfs/dbraw/zinc/90/80/83/1045908083.db2.gz VLARYKGUUFKGRI-UVTDQMKNSA-N 1 0 300.402 4.263 20 5 DIBDRO CC[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000828703907 1045928301 /nfs/dbraw/zinc/92/83/01/1045928301.db2.gz MQYXCFSCZHDGAE-CHWSQXEVSA-N 1 0 317.216 4.219 20 5 DIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453225195 1045992412 /nfs/dbraw/zinc/99/24/12/1045992412.db2.gz NSVULWATRGVKNS-CABCVRRESA-N 1 0 313.401 4.052 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000453315591 1046034494 /nfs/dbraw/zinc/03/44/94/1046034494.db2.gz GQXWGSQISMSKNJ-MPGHIAIKSA-N 1 0 320.433 4.005 20 5 DIBDRO Cc1ccc([C@H](C)[N@@H+]2CCC[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000453356669 1046055221 /nfs/dbraw/zinc/05/52/21/1046055221.db2.gz LAONBXDDAGEKMZ-YOEHRIQHSA-N 1 0 320.458 4.183 20 5 DIBDRO CCC[C@H]([NH2+]CCc1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000532197925 1046112339 /nfs/dbraw/zinc/11/23/39/1046112339.db2.gz DQILBYUEIGMJSH-KRWDZBQOSA-N 1 0 302.374 4.170 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000532213563 1046116373 /nfs/dbraw/zinc/11/63/73/1046116373.db2.gz BDNKTJADONHPEI-OLZOCXBDSA-N 1 0 302.349 4.188 20 5 DIBDRO Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000195677113 1046131708 /nfs/dbraw/zinc/13/17/08/1046131708.db2.gz IAXNRHUKIGQUHP-UHFFFAOYSA-N 1 0 302.399 4.129 20 5 DIBDRO CC[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195732458 1046133694 /nfs/dbraw/zinc/13/36/94/1046133694.db2.gz ITZQRDRUMPXTMU-MRXNPFEDSA-N 1 0 302.349 4.317 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903056596 1046151527 /nfs/dbraw/zinc/15/15/27/1046151527.db2.gz WFJNHOYVAWYIGY-STQMWFEESA-N 1 0 300.358 4.015 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)s2)cc([N+](=O)[O-])c1 ZINC000903076540 1046157572 /nfs/dbraw/zinc/15/75/72/1046157572.db2.gz RRSJKRNAMFXWKP-RYUDHWBXSA-N 1 0 320.414 4.385 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1cccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000903244844 1046207786 /nfs/dbraw/zinc/20/77/86/1046207786.db2.gz FJLTWJUVOTYQHZ-NEPJUHHUSA-N 1 0 319.792 4.098 20 5 DIBDRO CC(C)[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000903246385 1046208120 /nfs/dbraw/zinc/20/81/20/1046208120.db2.gz UJOMTRUOJHTABZ-KDOFPFPSSA-N 1 0 313.401 4.080 20 5 DIBDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903289887 1046223941 /nfs/dbraw/zinc/22/39/41/1046223941.db2.gz ZBPAWEUHZPOOQQ-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000903286811 1046224123 /nfs/dbraw/zinc/22/41/23/1046224123.db2.gz HDDUORXRLZTIHS-MNOVXSKESA-N 1 0 305.765 4.055 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1ccc([N+](=O)[O-])cc1 ZINC000903286859 1046224265 /nfs/dbraw/zinc/22/42/65/1046224265.db2.gz IEHFPJFFADIIBK-BMLIUANNSA-N 1 0 318.323 4.211 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903286772 1046225417 /nfs/dbraw/zinc/22/54/17/1046225417.db2.gz GLBMZVFKJIMGFE-GHMZBOCLSA-N 1 0 305.765 4.055 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903340061 1046250383 /nfs/dbraw/zinc/25/03/83/1046250383.db2.gz PBOBMVBLKAYUIL-SCLBCKFNSA-N 1 0 311.385 4.100 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903430059 1046279752 /nfs/dbraw/zinc/27/97/52/1046279752.db2.gz XJCXSUCWKMNNKL-UGSOOPFHSA-N 1 0 311.385 4.100 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000052077134 1046360252 /nfs/dbraw/zinc/36/02/52/1046360252.db2.gz ZBWVRYMWKAJEIV-UHFFFAOYSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@H](CCC(F)(F)F)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465709 1046440235 /nfs/dbraw/zinc/44/02/35/1046440235.db2.gz GWLUZMCJQWBQNJ-WDEREUQCSA-N 1 0 304.312 4.019 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000486717725 1046468434 /nfs/dbraw/zinc/46/84/34/1046468434.db2.gz RIUDRRQFRVFVFQ-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000536638554 1046599148 /nfs/dbraw/zinc/59/91/48/1046599148.db2.gz GAHUUNNVFKOWBS-OAHLLOKOSA-N 1 0 302.399 4.302 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1 ZINC000783608412 1046613825 /nfs/dbraw/zinc/61/38/25/1046613825.db2.gz FAHDBTLIZSTGRO-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783674964 1046621345 /nfs/dbraw/zinc/62/13/45/1046621345.db2.gz SOPVMJOOZQITHH-SECBINFHSA-N 1 0 310.703 4.069 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000834885102 1046700486 /nfs/dbraw/zinc/70/04/86/1046700486.db2.gz SZCPMPNJKNOFAV-GWCFXTLKSA-N 1 0 317.216 4.138 20 5 DIBDRO Cc1cccc(C2([NH2+]Cc3ccccc3[N+](=O)[O-])CCCC2)c1 ZINC000533510579 1046739238 /nfs/dbraw/zinc/73/92/38/1046739238.db2.gz WFJFSVBKLAJFQT-UHFFFAOYSA-N 1 0 310.397 4.462 20 5 DIBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC1CC1 ZINC000303255255 1046898544 /nfs/dbraw/zinc/89/85/44/1046898544.db2.gz OBFXQAPMUJWIPT-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000303695643 1046948331 /nfs/dbraw/zinc/94/83/31/1046948331.db2.gz AELFKVIOCPRNFY-KRWDZBQOSA-N 1 0 314.385 4.348 20 5 DIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000303771374 1046962446 /nfs/dbraw/zinc/96/24/46/1046962446.db2.gz QRUMXDHFEPTXSC-AEFFLSMTSA-N 1 0 324.424 4.324 20 5 DIBDRO CSCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000536669300 1047048904 /nfs/dbraw/zinc/04/89/04/1047048904.db2.gz WJDHGAONBXPNCP-UHFFFAOYSA-N 1 0 322.455 4.118 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000536873425 1047116909 /nfs/dbraw/zinc/11/69/09/1047116909.db2.gz ZYOUNLPHKSXSAU-CKFHNAJUSA-N 1 0 310.397 4.487 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C/C=C\C2CC2)c2ccccc2)c1 ZINC001117751636 1047240976 /nfs/dbraw/zinc/24/09/76/1047240976.db2.gz VAPSIULLRPKDGM-SFFCAUCYSA-N 1 0 308.381 4.240 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000152573310 1047256011 /nfs/dbraw/zinc/25/60/11/1047256011.db2.gz XBNPORACPWJDIJ-AWEZNQCLSA-N 1 0 314.385 4.153 20 5 DIBDRO C[C@]1(O)CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727680 1047277693 /nfs/dbraw/zinc/27/76/93/1047277693.db2.gz BTJSLQSBROSVAB-NRFANRHFSA-N 1 0 305.421 4.340 20 5 DIBDRO O[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1F ZINC001141723048 1047278705 /nfs/dbraw/zinc/27/87/05/1047278705.db2.gz NMISYZGZPPGVOL-RTWAWAEBSA-N 1 0 323.411 4.288 20 5 DIBDRO O=C1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1F ZINC001141723415 1047278789 /nfs/dbraw/zinc/27/87/89/1047278789.db2.gz WUFRFPHETBGDAB-FQEVSTJZSA-N 1 0 321.395 4.496 20 5 DIBDRO CO[C@H](C)C1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727940 1047280216 /nfs/dbraw/zinc/28/02/16/1047280216.db2.gz IQDVMKZCNMSJNN-OAHLLOKOSA-N 1 0 305.421 4.460 20 5 DIBDRO CC(=O)[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727761 1047280598 /nfs/dbraw/zinc/28/05/98/1047280598.db2.gz DNBFWYWDLHNLPN-SFHVURJKSA-N 1 0 303.405 4.404 20 5 DIBDRO C[N@H+](CCC1OCCO1)Cc1c2ccccc2cc2ccccc21 ZINC001141728099 1047280988 /nfs/dbraw/zinc/28/09/88/1047280988.db2.gz LKFUFNFVGIPQCU-UHFFFAOYSA-N 1 0 321.420 4.188 20 5 DIBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001141727948 1047281143 /nfs/dbraw/zinc/28/11/43/1047281143.db2.gz IVLBTHCXPBQENM-YJBOKZPZSA-N 1 0 305.421 4.338 20 5 DIBDRO CN1CC[C@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]21 ZINC001141728578 1047281222 /nfs/dbraw/zinc/28/12/22/1047281222.db2.gz YEUITIQPFOSPJK-PGRDOPGGSA-N 1 0 316.448 4.129 20 5 DIBDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512037 1047386013 /nfs/dbraw/zinc/38/60/13/1047386013.db2.gz PZLLSHHWUOJPME-XIKOKIGWSA-N 1 0 314.360 4.147 20 5 DIBDRO CC(C)(C)SCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001168318103 1047430364 /nfs/dbraw/zinc/43/03/64/1047430364.db2.gz YPCKDRIDZDXFEE-UHFFFAOYSA-N 1 0 322.474 4.481 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@H]4CCC[C@@H]4C3)o2)cc1 ZINC000537625313 1047479336 /nfs/dbraw/zinc/47/93/36/1047479336.db2.gz ZQDAOWLCCFQDGI-HUUCEWRRSA-N 1 0 312.369 4.087 20 5 DIBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000122049180 1047584111 /nfs/dbraw/zinc/58/41/11/1047584111.db2.gz SHXSTNZREHDWBE-GFCCVEGCSA-N 1 0 319.430 4.115 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000477243504 1047606918 /nfs/dbraw/zinc/60/69/18/1047606918.db2.gz MMSJFKGKRKASSL-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000537955440 1047647057 /nfs/dbraw/zinc/64/70/57/1047647057.db2.gz WTNHDZYHBVECKG-LESCRADOSA-N 1 0 320.433 4.005 20 5 DIBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538113255 1047658493 /nfs/dbraw/zinc/65/84/93/1047658493.db2.gz BRYGBKFWLFEDOQ-UONOGXRCSA-N 1 0 313.401 4.272 20 5 DIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000192808058 1047740352 /nfs/dbraw/zinc/74/03/52/1047740352.db2.gz XHAICKCHZRQZBU-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000927035435 1047765789 /nfs/dbraw/zinc/76/57/89/1047765789.db2.gz GPIRTKRTLCGXMF-NWDGAFQWSA-N 1 0 324.421 4.203 20 5 DIBDRO Cc1c(C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000478510804 1047791904 /nfs/dbraw/zinc/79/19/04/1047791904.db2.gz ZGBWFZZZVYZUCK-BBATYDOGSA-N 1 0 314.360 4.065 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000552923862 1047807363 /nfs/dbraw/zinc/80/73/63/1047807363.db2.gz XQXFRQYDBNYXSV-PVAVHDDUSA-N 1 0 320.433 4.229 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000553294818 1047834785 /nfs/dbraw/zinc/83/47/85/1047834785.db2.gz PSFNIHWBORMPJG-JTQLQIEISA-N 1 0 324.302 4.171 20 5 DIBDRO [NH3+]Cc1ccc(Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1 ZINC001159483977 1047853958 /nfs/dbraw/zinc/85/39/58/1047853958.db2.gz HVYPKIFSJHZLPW-UHFFFAOYSA-N 1 0 312.156 4.104 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159598610 1047877344 /nfs/dbraw/zinc/87/73/44/1047877344.db2.gz VTJQJEZYAHGROY-UHFFFAOYSA-N 1 0 311.385 4.114 20 5 DIBDRO COC1CCC(C)(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000479448817 1047902501 /nfs/dbraw/zinc/90/25/01/1047902501.db2.gz FMMFTWLMOYJOSX-KSTDHSDQSA-N 1 0 320.433 4.149 20 5 DIBDRO [NH3+]C1(c2ccc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cc2)CCC1 ZINC001159729733 1047910882 /nfs/dbraw/zinc/91/08/82/1047910882.db2.gz KMSMAFRNDRAZPT-JLHYYAGUSA-N 1 0 309.369 4.016 20 5 DIBDRO C[C@@H](COCC1CCCCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001198000663 1047912169 /nfs/dbraw/zinc/91/21/69/1047912169.db2.gz IQYOZCKCQXWWPD-GJZGRUSLSA-N 1 0 320.433 4.231 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001183651450 1047950948 /nfs/dbraw/zinc/95/09/48/1047950948.db2.gz DTXMYANKQWHEQO-VBNZEHGJSA-N 1 0 320.433 4.228 20 5 DIBDRO C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001183651448 1047952241 /nfs/dbraw/zinc/95/22/41/1047952241.db2.gz DTXMYANKQWHEQO-MAZHCROVSA-N 1 0 320.433 4.228 20 5 DIBDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000480090288 1048051162 /nfs/dbraw/zinc/05/11/62/1048051162.db2.gz IJLRQCYZELLFOZ-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1c(C)noc1CC)c1cccc([N+](=O)[O-])c1 ZINC000927139098 1048098836 /nfs/dbraw/zinc/09/88/36/1048098836.db2.gz GBAWXIARZOAXRK-MRXNPFEDSA-N 1 0 317.389 4.085 20 5 DIBDRO Cc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001175036261 1048101169 /nfs/dbraw/zinc/10/11/69/1048101169.db2.gz OSWZSDRAJWOUTM-ZDUSSCGKSA-N 1 0 302.349 4.235 20 5 DIBDRO C/C=C/C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001175055239 1048114345 /nfs/dbraw/zinc/11/43/45/1048114345.db2.gz WAHPGZXJJWONPE-IBUXWKBASA-N 1 0 308.809 4.426 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCc1cnccn1 ZINC000774834054 1048133838 /nfs/dbraw/zinc/13/38/38/1048133838.db2.gz XWHLKCCBZVVZNE-UHFFFAOYSA-N 1 0 313.404 4.115 20 5 DIBDRO O=[N+]([O-])c1ccsc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001185272868 1048155842 /nfs/dbraw/zinc/15/58/42/1048155842.db2.gz KZAOXLKTQUZARB-UHFFFAOYSA-N 1 0 317.414 4.038 20 5 DIBDRO CCCC[N@H+](C)CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001185312811 1048162116 /nfs/dbraw/zinc/16/21/16/1048162116.db2.gz IGQHHZNCOWHLIY-UHFFFAOYSA-N 1 0 320.220 4.045 20 5 DIBDRO CC(C)[PH+](CCNc1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC001162357870 1048266074 /nfs/dbraw/zinc/26/60/74/1048266074.db2.gz OOYUAEPEYJBSHZ-UHFFFAOYSA-N 1 0 317.757 4.354 20 5 DIBDRO CC(C)[PH+](CCNc1ncc(Cl)cc1[N+](=O)[O-])C(C)C ZINC001162357359 1048266115 /nfs/dbraw/zinc/26/61/15/1048266115.db2.gz IWYMUROKBZWNLP-UHFFFAOYSA-N 1 0 317.757 4.354 20 5 DIBDRO CCS[C@@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000480970191 1048278230 /nfs/dbraw/zinc/27/82/30/1048278230.db2.gz XSPVYWXKFPEDLH-OAHLLOKOSA-N 1 0 308.447 4.011 20 5 DIBDRO CCCC(C[NH3+])(CCC)Nc1ccc2ccc3cccnc3c2n1 ZINC001163038959 1048407678 /nfs/dbraw/zinc/40/76/78/1048407678.db2.gz WNHMNWCQNOOHTD-UHFFFAOYSA-N 1 0 322.456 4.493 20 5 DIBDRO CC(C)=CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001201988442 1048424224 /nfs/dbraw/zinc/42/42/24/1048424224.db2.gz ATQKBXRACKTNAM-UHFFFAOYSA-N 1 0 300.358 4.301 20 5 DIBDRO Cc1ccc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC001163173750 1048427764 /nfs/dbraw/zinc/42/77/64/1048427764.db2.gz UJWRDEGZVSKQAE-INIZCTEOSA-N 1 0 317.433 4.112 20 5 DIBDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000481543126 1048429370 /nfs/dbraw/zinc/42/93/70/1048429370.db2.gz KEOFKYITHKSCPG-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccccc2C[NH+]2CCCC2)cc1 ZINC001175902160 1048495587 /nfs/dbraw/zinc/49/55/87/1048495587.db2.gz IETLYSRPBBRLNF-SDNWHVSQSA-N 1 0 323.396 4.273 20 5 DIBDRO CC1(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001202271179 1048495983 /nfs/dbraw/zinc/49/59/83/1048495983.db2.gz SMWJTUDWROXFPN-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001202388970 1048526792 /nfs/dbraw/zinc/52/67/92/1048526792.db2.gz YHPFGOOYGGIDMY-OCCSQVGLSA-N 1 0 316.426 4.459 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001176036361 1048540613 /nfs/dbraw/zinc/54/06/13/1048540613.db2.gz KNHWSTCVZMSAQY-KBPBESRZSA-N 1 0 310.397 4.495 20 5 DIBDRO Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000482490148 1048615828 /nfs/dbraw/zinc/61/58/28/1048615828.db2.gz XFQFZCNBLOBLGH-DGCLKSJQSA-N 1 0 316.323 4.066 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000850471958 1048669793 /nfs/dbraw/zinc/66/97/93/1048669793.db2.gz VBISAHNRECJURC-QWRGUYRKSA-N 1 0 321.327 4.339 20 5 DIBDRO CCCC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC001190348187 1048721429 /nfs/dbraw/zinc/72/14/29/1048721429.db2.gz IUDAIZJUZLEADZ-UHFFFAOYSA-N 1 0 316.323 4.378 20 5 DIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC001190400319 1048729996 /nfs/dbraw/zinc/72/99/96/1048729996.db2.gz XZYLUMUOYZUQKR-SFHVURJKSA-N 1 0 318.417 4.018 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000775386330 1048735443 /nfs/dbraw/zinc/73/54/43/1048735443.db2.gz CXDSLQBPWXJCAA-QGZVFWFLSA-N 1 0 302.349 4.149 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001190846066 1048792687 /nfs/dbraw/zinc/79/26/87/1048792687.db2.gz HSALAXGFWLZWKQ-SFHVURJKSA-N 1 0 324.424 4.358 20 5 DIBDRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000483603925 1048825564 /nfs/dbraw/zinc/82/55/64/1048825564.db2.gz GVNHKDYKXIJXCQ-SWLSCSKDSA-N 1 0 316.401 4.477 20 5 DIBDRO Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483660626 1048832651 /nfs/dbraw/zinc/83/26/51/1048832651.db2.gz MOMLUUZURAMZHK-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1cccc2c(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000483726875 1048844828 /nfs/dbraw/zinc/84/48/28/1048844828.db2.gz JUXJNYZLPFRRQI-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])CC(F)(F)F ZINC000853096046 1048883633 /nfs/dbraw/zinc/88/36/33/1048883633.db2.gz LHKRITWVNRLFNI-UHFFFAOYSA-N 1 0 324.730 4.316 20 5 DIBDRO Cc1ccc(C[NH2+]Cc2cc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC001177728889 1048933403 /nfs/dbraw/zinc/93/34/03/1048933403.db2.gz AIBKJIACYYKZPC-UHFFFAOYSA-N 1 0 316.426 4.133 20 5 DIBDRO CCC(CC)[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)C ZINC001191375742 1048938183 /nfs/dbraw/zinc/93/81/83/1048938183.db2.gz XMGJLLFQVHTVRA-UHFFFAOYSA-N 1 0 308.422 4.120 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC001203672294 1048956344 /nfs/dbraw/zinc/95/63/44/1048956344.db2.gz GIZHVHLBKRQUAL-WBVHZDCISA-N 1 0 302.418 4.244 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001178317791 1049020366 /nfs/dbraw/zinc/02/03/66/1049020366.db2.gz OOFOABGURMGYDM-IFXJQAMLSA-N 1 0 310.397 4.316 20 5 DIBDRO CN(Cc1ncc[nH]1)Cc1c2ccccc2cc2ccccc21 ZINC001203981025 1049048596 /nfs/dbraw/zinc/04/85/96/1049048596.db2.gz ZZYKILMBMIZBQW-UHFFFAOYSA-N 1 0 301.393 4.348 20 5 DIBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001192173988 1049053880 /nfs/dbraw/zinc/05/38/80/1049053880.db2.gz NPNBACQFZOTYFL-SWLSCSKDSA-N 1 0 324.396 4.143 20 5 DIBDRO OC[C@H]1CC[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204005530 1049061284 /nfs/dbraw/zinc/06/12/84/1049061284.db2.gz WSUWXNLBXDHLGB-HNNXBMFYSA-N 1 0 315.416 4.398 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001192215022 1049062063 /nfs/dbraw/zinc/06/20/63/1049062063.db2.gz RYGHXIREDIKYSI-CYBMUJFWSA-N 1 0 316.405 4.016 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC001192261328 1049069166 /nfs/dbraw/zinc/06/91/66/1049069166.db2.gz DBCXWYXXJOSJQA-WDEREUQCSA-N 1 0 316.323 4.092 20 5 DIBDRO C[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC12CCC2 ZINC001192583438 1049117773 /nfs/dbraw/zinc/11/77/73/1049117773.db2.gz AQAAYYRDSYMQLQ-LBPRGKRZSA-N 1 0 308.809 4.260 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000857083278 1049127257 /nfs/dbraw/zinc/12/72/57/1049127257.db2.gz WCDWOBXTSTXGGE-MNOVXSKESA-N 1 0 317.216 4.138 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)o2)cc1 ZINC001179086236 1049130293 /nfs/dbraw/zinc/13/02/93/1049130293.db2.gz PBTIXGGUXFVNHQ-RBSFLKMASA-N 1 0 312.369 4.133 20 5 DIBDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173364223 1049140256 /nfs/dbraw/zinc/14/02/56/1049140256.db2.gz RHTZSIOSHMDZEP-ZIAGYGMSSA-N 1 0 314.385 4.405 20 5 DIBDRO Cc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])ccc1Cl ZINC001204472442 1049171229 /nfs/dbraw/zinc/17/12/29/1049171229.db2.gz WEFQALFSTOVWSH-UHFFFAOYSA-N 1 0 304.777 4.189 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2ccccc2)cc1 ZINC001193053269 1049176292 /nfs/dbraw/zinc/17/62/92/1049176292.db2.gz GHAQUFJMRIPDDD-LJQANCHMSA-N 1 0 310.397 4.365 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173368876 1049189959 /nfs/dbraw/zinc/18/99/59/1049189959.db2.gz JXAREXWFQKJUJC-SUMWQHHRSA-N 1 0 312.369 4.159 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001193497000 1049215787 /nfs/dbraw/zinc/21/57/87/1049215787.db2.gz JNISXVCTKFFKGN-CRAIPNDOSA-N 1 0 320.433 4.168 20 5 DIBDRO CCC[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001204890500 1049301024 /nfs/dbraw/zinc/30/10/24/1049301024.db2.gz NYAGRHDGNKHMGN-JTQLQIEISA-N 1 0 304.312 4.234 20 5 DIBDRO CCC[C@H](C)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001180275101 1049314636 /nfs/dbraw/zinc/31/46/36/1049314636.db2.gz GWCMHFPAAZOQLP-QMMMGPOBSA-N 1 0 321.240 4.039 20 5 DIBDRO COc1cc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000485713808 1049323126 /nfs/dbraw/zinc/32/31/26/1049323126.db2.gz DDSFNCIRUPQKSY-CQSZACIVSA-N 1 0 314.385 4.105 20 5 DIBDRO COc1cc(Cl)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173402117 1049330967 /nfs/dbraw/zinc/33/09/67/1049330967.db2.gz KPGRWPWICJCTPL-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001180297002 1049339068 /nfs/dbraw/zinc/33/90/68/1049339068.db2.gz OHZKCTSEDGQLBK-KYOSRNDESA-N 1 0 308.809 4.401 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC001205007829 1049339888 /nfs/dbraw/zinc/33/98/88/1049339888.db2.gz MXMOYOHYEOPTMC-OAHLLOKOSA-N 1 0 310.825 4.349 20 5 DIBDRO CC(C)([NH2+]CCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001180666105 1049395726 /nfs/dbraw/zinc/39/57/26/1049395726.db2.gz QCEBANBXFBXMHE-UHFFFAOYSA-N 1 0 318.804 4.316 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](Cc1cccs1)C1CC1 ZINC001205209248 1049410676 /nfs/dbraw/zinc/41/06/76/1049410676.db2.gz ROLPCNMONHLADR-UHFFFAOYSA-N 1 0 316.426 4.438 20 5 DIBDRO CC1(C)CC(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001180954556 1049423437 /nfs/dbraw/zinc/42/34/37/1049423437.db2.gz YMVHWZQPAIGTPV-UHFFFAOYSA-N 1 0 317.216 4.427 20 5 DIBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001205292009 1049428654 /nfs/dbraw/zinc/42/86/54/1049428654.db2.gz UWODDCLMGBAOAU-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC001194953080 1049453974 /nfs/dbraw/zinc/45/39/74/1049453974.db2.gz IHRLCAUDZJQFBJ-KDOFPFPSSA-N 1 0 320.433 4.440 20 5 DIBDRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173435551 1049455174 /nfs/dbraw/zinc/45/51/74/1049455174.db2.gz LJODWFJELDYOEJ-GFCCVEGCSA-N 1 0 300.333 4.074 20 5 DIBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001205402625 1049462014 /nfs/dbraw/zinc/46/20/14/1049462014.db2.gz JJUJKXKNUDBKGM-MSOLQXFVSA-N 1 0 310.397 4.329 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cs1 ZINC000486903488 1049490973 /nfs/dbraw/zinc/49/09/73/1049490973.db2.gz JWFDOPCIHSVZMC-CVEARBPZSA-N 1 0 316.426 4.472 20 5 DIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C2CC2)cc1 ZINC001205755503 1049555075 /nfs/dbraw/zinc/55/50/75/1049555075.db2.gz KUYIZAXYMONNOZ-UHFFFAOYSA-N 1 0 310.397 4.147 20 5 DIBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000775671115 1049563656 /nfs/dbraw/zinc/56/36/56/1049563656.db2.gz VTYGNMWTGDUWRI-UHFFFAOYSA-N 1 0 323.462 4.113 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H](C)C2)cc1[N+](=O)[O-] ZINC001195811079 1049573592 /nfs/dbraw/zinc/57/35/92/1049573592.db2.gz ZXXYYIUJUOFJMT-OAHLLOKOSA-N 1 0 310.397 4.065 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC2CCC1CC2 ZINC001205943057 1049607982 /nfs/dbraw/zinc/60/79/82/1049607982.db2.gz NRPNTHFMQJNIOT-ARAOSMHQSA-N 1 0 302.418 4.084 20 5 DIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCC12CCCCC2 ZINC001196075276 1049611067 /nfs/dbraw/zinc/61/10/67/1049611067.db2.gz ZYMHDXZPPCARJE-KRWDZBQOSA-N 1 0 318.417 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c(Cl)c1 ZINC001182356885 1049634674 /nfs/dbraw/zinc/63/46/74/1049634674.db2.gz QDVICCZTAAITRX-DOMZBBRYSA-N 1 0 308.809 4.164 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000488445720 1049656563 /nfs/dbraw/zinc/65/65/63/1049656563.db2.gz RZEMVJYIMAOUKD-BJJXKVORSA-N 1 0 322.474 4.474 20 5 DIBDRO Cc1ccc(C[NH2+]CC(C)(C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000488572950 1049677329 /nfs/dbraw/zinc/67/73/29/1049677329.db2.gz ZHLQOVRCKBKMGF-UHFFFAOYSA-N 1 0 316.376 4.110 20 5 DIBDRO Cn1cnc(C[N@H+](C)Cc2c3ccccc3cc3ccccc32)c1 ZINC001206237110 1049686748 /nfs/dbraw/zinc/68/67/48/1049686748.db2.gz LILMBIAHZLHORV-UHFFFAOYSA-N 1 0 315.420 4.359 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001196820129 1049692809 /nfs/dbraw/zinc/69/28/09/1049692809.db2.gz YZTHEEBLOJPICU-QGZVFWFLSA-N 1 0 320.339 4.288 20 5 DIBDRO CC(C)[C@H]1[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12CC=CC2 ZINC001182693007 1049701073 /nfs/dbraw/zinc/70/10/73/1049701073.db2.gz DOGCOMOTANPLLT-MRXNPFEDSA-N 1 0 320.820 4.425 20 5 DIBDRO C[NH+](C)CCn1cc(-c2cccc3cc4ccccc4cc32)cn1 ZINC001206367612 1049721046 /nfs/dbraw/zinc/72/10/46/1049721046.db2.gz FZSWGAPNLCHKMK-UHFFFAOYSA-N 1 0 315.420 4.418 20 5 DIBDRO CC[C@H](C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001206605677 1049768238 /nfs/dbraw/zinc/76/82/38/1049768238.db2.gz VQIRCEXCPPELEG-ZOBUZTSGSA-N 1 0 304.434 4.332 20 5 DIBDRO CCCCOC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000490085715 1049801982 /nfs/dbraw/zinc/80/19/82/1049801982.db2.gz KJUKXXXNNWAGQK-OAHLLOKOSA-N 1 0 320.433 4.245 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001207525890 1049904846 /nfs/dbraw/zinc/90/48/46/1049904846.db2.gz AURNIICFCULBFS-LLVKDONJSA-N 1 0 322.767 4.281 20 5 DIBDRO C[C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001207684144 1049927878 /nfs/dbraw/zinc/92/78/78/1049927878.db2.gz CJUGIPYCVRSUSE-ZVZYQTTQSA-N 1 0 310.397 4.092 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)s1 ZINC000588928544 1050012814 /nfs/dbraw/zinc/01/28/14/1050012814.db2.gz TZPVYKLKEXOCLP-RYUDHWBXSA-N 1 0 324.352 4.067 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cl)o1)CCCC2 ZINC000591348193 1050141854 /nfs/dbraw/zinc/14/18/54/1050141854.db2.gz BWYWMVXHTRHTGO-OAHLLOKOSA-N 1 0 320.776 4.399 20 5 DIBDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000592392494 1050292660 /nfs/dbraw/zinc/29/26/60/1050292660.db2.gz XZLPLVFZTGQSNZ-IINYFYTJSA-N 1 0 312.360 4.198 20 5 DIBDRO C[N@H+](Cc1csc2ccccc12)Cc1ccc([N+](=O)[O-])cc1 ZINC000058591143 1050346376 /nfs/dbraw/zinc/34/63/76/1050346376.db2.gz HXKYZWIFCCAVSL-UHFFFAOYSA-N 1 0 312.394 4.442 20 5 DIBDRO Cc1ccccc1C1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000593040414 1050364416 /nfs/dbraw/zinc/36/44/16/1050364416.db2.gz RWESWUCHCKYSAO-UHFFFAOYSA-N 1 0 302.399 4.134 20 5 DIBDRO CCC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000574109426 1050372656 /nfs/dbraw/zinc/37/26/56/1050372656.db2.gz IGZMZKMXBXZABJ-ORHYLEIMSA-N 1 0 316.323 4.367 20 5 DIBDRO CC[N@H+](CCc1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735490974 1050399636 /nfs/dbraw/zinc/39/96/36/1050399636.db2.gz XXVSJOLQPVYWQQ-UHFFFAOYSA-N 1 0 324.833 4.374 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1F ZINC000844393751 1050411032 /nfs/dbraw/zinc/41/10/32/1050411032.db2.gz NLVKIVADLMGCNY-HNNXBMFYSA-N 1 0 306.312 4.114 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441401 1050427315 /nfs/dbraw/zinc/42/73/15/1050427315.db2.gz MRLKCSHFHJGCIJ-IUODEOHRSA-N 1 0 310.344 4.085 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001210953986 1050431690 /nfs/dbraw/zinc/43/16/90/1050431690.db2.gz QDFNPMQCNRAIIF-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)c1 ZINC000574423710 1050455201 /nfs/dbraw/zinc/45/52/01/1050455201.db2.gz NWXONOAZUBIDHK-UHFFFAOYSA-N 1 0 310.397 4.376 20 5 DIBDRO Cc1cccc(F)c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000766216651 1050464309 /nfs/dbraw/zinc/46/43/09/1050464309.db2.gz QTVXESFTJQLUSJ-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCC(F)(F)CC1 ZINC000594046596 1050471383 /nfs/dbraw/zinc/47/13/83/1050471383.db2.gz WWYHIKAXCRPOCN-JTQLQIEISA-N 1 0 316.323 4.038 20 5 DIBDRO C[NH2+]Cc1ccc(Nc2cc3cccnc3c3ncccc23)cc1 ZINC001211131968 1050491766 /nfs/dbraw/zinc/49/17/66/1050491766.db2.gz ZRKGFTYBBSSYAJ-UHFFFAOYSA-N 1 0 314.392 4.246 20 5 DIBDRO O=[N+]([O-])c1cc(Nc2ccccc2C[NH+]2CCCC2)ccc1F ZINC001211192670 1050510939 /nfs/dbraw/zinc/51/09/39/1050510939.db2.gz HLEYXMYJJWWKFL-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCc2ccccc21 ZINC000594492320 1050517058 /nfs/dbraw/zinc/51/70/58/1050517058.db2.gz NLPKPHKXGJESLJ-QZTJIDSGSA-N 1 0 308.381 4.249 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000594501001 1050521158 /nfs/dbraw/zinc/52/11/58/1050521158.db2.gz CLZVDLJGAAOZFK-ROUUACIJSA-N 1 0 308.381 4.168 20 5 DIBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594518609 1050529095 /nfs/dbraw/zinc/52/90/95/1050529095.db2.gz IHROGRZWXYNAOE-AGLBCWCQSA-N 1 0 324.371 4.412 20 5 DIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000738330060 1050531946 /nfs/dbraw/zinc/53/19/46/1050531946.db2.gz GALJEMISIAQXCZ-CQSZACIVSA-N 1 0 316.376 4.105 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001168405680 1050553752 /nfs/dbraw/zinc/55/37/52/1050553752.db2.gz ZPWQNYAIEYLEGB-BYCMXARLSA-N 1 0 308.809 4.259 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC001168405681 1050555152 /nfs/dbraw/zinc/55/51/52/1050555152.db2.gz ZPWQNYAIEYLEGB-DFBGVHRSSA-N 1 0 308.809 4.259 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000595019342 1050585384 /nfs/dbraw/zinc/58/53/84/1050585384.db2.gz VSDJYIXXPJGKCC-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO Cc1cccc2c1CCC[C@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000595001745 1050589568 /nfs/dbraw/zinc/58/95/68/1050589568.db2.gz WYPRPHAVJYYMSS-OAHLLOKOSA-N 1 0 302.399 4.132 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000595007098 1050593274 /nfs/dbraw/zinc/59/32/74/1050593274.db2.gz JKGQJZUVXNKZNJ-MNOVXSKESA-N 1 0 321.327 4.339 20 5 DIBDRO CSCC1(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000595064575 1050596014 /nfs/dbraw/zinc/59/60/14/1050596014.db2.gz CDSLIMHHWVJJQE-CYBMUJFWSA-N 1 0 308.447 4.087 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000595038583 1050600349 /nfs/dbraw/zinc/60/03/49/1050600349.db2.gz LPXKAGPTVPHPSW-QWRGUYRKSA-N 1 0 306.387 4.077 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595089374 1050610223 /nfs/dbraw/zinc/61/02/23/1050610223.db2.gz NYDVLMCBKYIKRP-MSOLQXFVSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595096582 1050613300 /nfs/dbraw/zinc/61/33/00/1050613300.db2.gz CBVGGORWWAKRTC-NUYPLMSZSA-N 1 0 310.344 4.213 20 5 DIBDRO COc1ccc([C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000595413757 1050629986 /nfs/dbraw/zinc/62/99/86/1050629986.db2.gz HEOQGLOOFGOKNI-UONOGXRCSA-N 1 0 314.385 4.058 20 5 DIBDRO C[C@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCc2ccccc21 ZINC000595373093 1050630594 /nfs/dbraw/zinc/63/05/94/1050630594.db2.gz LXBMJHQLTDVVSQ-SFHVURJKSA-N 1 0 314.360 4.075 20 5 DIBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC(F)F ZINC000595417629 1050631064 /nfs/dbraw/zinc/63/10/64/1050631064.db2.gz BAHSLCMKXVQBEC-VXGBXAGGSA-N 1 0 300.349 4.235 20 5 DIBDRO CSc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000595417693 1050631080 /nfs/dbraw/zinc/63/10/80/1050631080.db2.gz YHBBSODYANIVIQ-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000595365147 1050631089 /nfs/dbraw/zinc/63/10/89/1050631089.db2.gz XUJFEBHYRBMQKR-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO C[C@@]1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000846031436 1050651319 /nfs/dbraw/zinc/65/13/19/1050651319.db2.gz CAJXDKAZEKBJNA-CHWSQXEVSA-N 1 0 321.179 4.043 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccco2)CC1 ZINC000595618438 1050652472 /nfs/dbraw/zinc/65/24/72/1050652472.db2.gz PIDUCPLXNAFSNX-ZDUSSCGKSA-N 1 0 300.358 4.128 20 5 DIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846107086 1050664814 /nfs/dbraw/zinc/66/48/14/1050664814.db2.gz FCPIWFBLDHELMW-MRXNPFEDSA-N 1 0 324.371 4.339 20 5 DIBDRO CC[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846186285 1050691087 /nfs/dbraw/zinc/69/10/87/1050691087.db2.gz AZNYJOHEVBMFNE-SOUVJXGZSA-N 1 0 314.788 4.340 20 5 DIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000788496700 1050693212 /nfs/dbraw/zinc/69/32/12/1050693212.db2.gz AOKNYUFQOQIGKT-QWRGUYRKSA-N 1 0 319.792 4.242 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788563207 1050703918 /nfs/dbraw/zinc/70/39/18/1050703918.db2.gz OOIDQOJIDJHVEL-CYBMUJFWSA-N 1 0 313.401 4.151 20 5 DIBDRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788582065 1050708097 /nfs/dbraw/zinc/70/80/97/1050708097.db2.gz GFYGSVKFMLWKEB-NORZTCDRSA-N 1 0 320.458 4.191 20 5 DIBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788576192 1050708150 /nfs/dbraw/zinc/70/81/50/1050708150.db2.gz YGFFTUCOGIEMDS-UONOGXRCSA-N 1 0 313.401 4.021 20 5 DIBDRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788582063 1050709288 /nfs/dbraw/zinc/70/92/88/1050709288.db2.gz GFYGSVKFMLWKEB-GHJWDPDVSA-N 1 0 320.458 4.191 20 5 DIBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)s1 ZINC000788693309 1050727922 /nfs/dbraw/zinc/72/79/22/1050727922.db2.gz RSJQIJXGLHCMAH-QWRGUYRKSA-N 1 0 319.430 4.267 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)s1 ZINC000788693307 1050728113 /nfs/dbraw/zinc/72/81/13/1050728113.db2.gz RSJQIJXGLHCMAH-GHMZBOCLSA-N 1 0 319.430 4.267 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc3[nH]ccc31)CCC2 ZINC000601320618 1050788553 /nfs/dbraw/zinc/78/85/53/1050788553.db2.gz HHSXEIDLWALKSL-LJQANCHMSA-N 1 0 321.380 4.243 20 5 DIBDRO Cc1nccn1-c1ccc(Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC001214171895 1050835915 /nfs/dbraw/zinc/83/59/15/1050835915.db2.gz NOZXMFDOCXNCHX-UHFFFAOYSA-N 1 0 308.341 4.141 20 5 DIBDRO CC(C)[C@@H](CCO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000742379819 1050840656 /nfs/dbraw/zinc/84/06/56/1050840656.db2.gz AOQHNMMTSNIRAQ-OAQYLSRUSA-N 1 0 307.437 4.490 20 5 DIBDRO Cc1ccsc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000773038631 1051035147 /nfs/dbraw/zinc/03/51/47/1051035147.db2.gz AHQQJQBYPRIUCU-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO Cc1ccsc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000773038633 1051035786 /nfs/dbraw/zinc/03/57/86/1051035786.db2.gz AHQQJQBYPRIUCU-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO CCC[C@@H]([NH2+]CCc1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000773083956 1051055192 /nfs/dbraw/zinc/05/51/92/1051055192.db2.gz WJFCKXCZPDTKGT-MRXNPFEDSA-N 1 0 319.430 4.033 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000036921214 1051101954 /nfs/dbraw/zinc/10/19/54/1051101954.db2.gz HFVHKAUNJGNXLH-INIZCTEOSA-N 1 0 304.777 4.489 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCc1cc(F)cc(OC)c1 ZINC001171416726 1051103191 /nfs/dbraw/zinc/10/31/91/1051103191.db2.gz TXVRNQFBHWBLGM-UHFFFAOYSA-N 1 0 317.428 4.043 20 5 DIBDRO CC(C)(C)c1cc(Nc2c(F)ccc([N+](=O)[O-])c2F)cc[nH+]1 ZINC001215289584 1051153321 /nfs/dbraw/zinc/15/33/21/1051153321.db2.gz OGHLLKCLRJPUDE-UHFFFAOYSA-N 1 0 307.300 4.309 20 5 DIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCC1 ZINC001170264505 1051168198 /nfs/dbraw/zinc/16/81/98/1051168198.db2.gz OZVGQBFOPBXYQI-SNVBAGLBSA-N 1 0 316.323 4.282 20 5 DIBDRO CC(C)c1ccc(C[NH2+]CCCc2ccco2)cc1[N+](=O)[O-] ZINC001203250103 1051202887 /nfs/dbraw/zinc/20/28/87/1051202887.db2.gz ZILZRBFUULXGEH-UHFFFAOYSA-N 1 0 302.374 4.034 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1(C2CCC2)CC1 ZINC001171693940 1051205101 /nfs/dbraw/zinc/20/51/01/1051205101.db2.gz PYLVDPAGYFMTER-UHFFFAOYSA-N 1 0 315.200 4.324 20 5 DIBDRO C[C@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C ZINC001170426831 1051254400 /nfs/dbraw/zinc/25/44/00/1051254400.db2.gz YLBZQAKUODKZBY-GDBMZVCRSA-N 1 0 304.434 4.456 20 5 DIBDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC001170426757 1051254882 /nfs/dbraw/zinc/25/48/82/1051254882.db2.gz XUVJHJSQPPHRQW-MRXNPFEDSA-N 1 0 316.426 4.344 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(Nc2ccc3[nH+]ccn3c2)c1Cl ZINC001215582680 1051256607 /nfs/dbraw/zinc/25/66/07/1051256607.db2.gz XFSLFMVGCASBEW-UHFFFAOYSA-N 1 0 323.139 4.293 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC001168977490 1051475900 /nfs/dbraw/zinc/47/59/00/1051475900.db2.gz KGYSIXIXNXLHMN-BHDSKKPTSA-N 1 0 317.216 4.089 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168956597 1051478895 /nfs/dbraw/zinc/47/88/95/1051478895.db2.gz BYXLMQBVCLUKAR-JBLDHEPKSA-N 1 0 317.216 4.089 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC001168956980 1051479008 /nfs/dbraw/zinc/47/90/08/1051479008.db2.gz DIMMNMFGHFUGFG-JBLDHEPKSA-N 1 0 317.216 4.089 20 5 DIBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001168958057 1051479320 /nfs/dbraw/zinc/47/93/20/1051479320.db2.gz LIPMJCNMNRGUHV-UMNHJUIQSA-N 1 0 317.216 4.089 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCCCCC2)C1 ZINC001168967571 1051480682 /nfs/dbraw/zinc/48/06/82/1051480682.db2.gz QXDLVQGWTHUEBS-SJLPKXTDSA-N 1 0 316.445 4.271 20 5 DIBDRO CCCCC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169004126 1051484982 /nfs/dbraw/zinc/48/49/82/1051484982.db2.gz PZMMLKQEXUGJKS-CGTJXYLNSA-N 1 0 304.434 4.343 20 5 DIBDRO CC(C)CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168995649 1051485417 /nfs/dbraw/zinc/48/54/17/1051485417.db2.gz SIFDSLYUCUMYMG-ZIAGYGMSSA-N 1 0 318.408 4.016 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC001169011044 1051487440 /nfs/dbraw/zinc/48/74/40/1051487440.db2.gz HNTIEZDEBKFBHL-IEBWSBKVSA-N 1 0 316.445 4.267 20 5 DIBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C ZINC001169042853 1051492864 /nfs/dbraw/zinc/49/28/64/1051492864.db2.gz GMVDZQSCVMWBHN-UHOSZYNNSA-N 1 0 316.445 4.276 20 5 DIBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897958 1051550237 /nfs/dbraw/zinc/55/02/37/1051550237.db2.gz GIQQVHVKWZCQGA-QBIMZIAESA-N 1 0 302.418 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)CC2 ZINC001172901601 1051551016 /nfs/dbraw/zinc/55/10/16/1051551016.db2.gz OPTAGZGUMWCRDW-FXECBMLZSA-N 1 0 314.429 4.011 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCC1=CCCCC1)CC2 ZINC001172901834 1051551551 /nfs/dbraw/zinc/55/15/51/1051551551.db2.gz PWXPWOHCFJMSLT-SFHVURJKSA-N 1 0 314.429 4.322 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCC1CCCC1)CC2 ZINC001172900774 1051551961 /nfs/dbraw/zinc/55/19/61/1051551961.db2.gz ZTDUGDDLESFXAX-KRWDZBQOSA-N 1 0 302.418 4.012 20 5 DIBDRO C[C@]1(F)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902823 1051552008 /nfs/dbraw/zinc/55/20/08/1051552008.db2.gz CUEAOHCGKNLEBY-WMZOPIPTSA-N 1 0 320.408 4.056 20 5 DIBDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902100 1051552115 /nfs/dbraw/zinc/55/21/15/1051552115.db2.gz VERUMIDWBBVUBG-GRDNDAEWSA-N 1 0 304.434 4.257 20 5 DIBDRO CC(C)(CC1CC1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903804 1051552661 /nfs/dbraw/zinc/55/26/61/1051552661.db2.gz JDAUMMHFLGFMQF-INIZCTEOSA-N 1 0 302.418 4.011 20 5 DIBDRO CC(C)([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172895177 1051569073 /nfs/dbraw/zinc/56/90/73/1051569073.db2.gz ACRRCPMDEDWAJQ-GOSISDBHSA-N 1 0 324.424 4.367 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC3(CCCC3)C1)CC2 ZINC001172914606 1051570639 /nfs/dbraw/zinc/57/06/39/1051570639.db2.gz IFPUVVGPSQZPIJ-KRWDZBQOSA-N 1 0 314.429 4.108 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC3(CCCC3)C1)CC2 ZINC001172914607 1051570706 /nfs/dbraw/zinc/57/07/06/1051570706.db2.gz IFPUVVGPSQZPIJ-QGZVFWFLSA-N 1 0 314.429 4.108 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H]3CCC[C@@H]31)CC2 ZINC001172916064 1051571137 /nfs/dbraw/zinc/57/11/37/1051571137.db2.gz QJIGORVIXBLBOA-SUMDDJOVSA-N 1 0 314.429 4.107 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)CC2 ZINC001172910792 1051579969 /nfs/dbraw/zinc/57/99/69/1051579969.db2.gz DEXWJINAOGEEFL-HUUCEWRRSA-N 1 0 324.371 4.010 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CCCC1 ZINC001172913084 1051580917 /nfs/dbraw/zinc/58/09/17/1051580917.db2.gz TWFBHHHXLGRMTK-DYVFJYSZSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522477 1051585049 /nfs/dbraw/zinc/58/50/49/1051585049.db2.gz ZCUODFGLUNDYPH-GTNSWQLSSA-N 1 0 316.788 4.271 20 5 DIBDRO CSc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761521649 1051587284 /nfs/dbraw/zinc/58/72/84/1051587284.db2.gz JSJTWNSXORVHTN-UHFFFAOYSA-N 1 0 322.817 4.260 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215601 1051632829 /nfs/dbraw/zinc/63/28/29/1051632829.db2.gz XGXLSHKZMCKTKZ-ZDUSSCGKSA-N 1 0 316.426 4.038 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001173216961 1051634409 /nfs/dbraw/zinc/63/44/09/1051634409.db2.gz OFZBFSFCGWNHGI-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001173218755 1051634802 /nfs/dbraw/zinc/63/48/02/1051634802.db2.gz LPCVKJFNXFHTLI-CVEARBPZSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ccccc2c1 ZINC001173216267 1051635290 /nfs/dbraw/zinc/63/52/90/1051635290.db2.gz HYJKDYUAMZDVGF-OAHLLOKOSA-N 1 0 320.392 4.469 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)cc1F ZINC001173216393 1051635301 /nfs/dbraw/zinc/63/53/01/1051635301.db2.gz IZPWVEIESBNIRI-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173220475 1051636581 /nfs/dbraw/zinc/63/65/81/1051636581.db2.gz ALRXDFVGPQGLGY-IFXJQAMLSA-N 1 0 310.397 4.111 20 5 DIBDRO Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219287 1051636737 /nfs/dbraw/zinc/63/67/37/1051636737.db2.gz AMQGMBDFDUIBIC-KBPBESRZSA-N 1 0 316.376 4.324 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCC2)CC1 ZINC001173223004 1051636993 /nfs/dbraw/zinc/63/69/93/1051636993.db2.gz WDXYHROVAARQBB-HNNXBMFYSA-N 1 0 302.418 4.182 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1sccc1Cl ZINC001173221920 1051637014 /nfs/dbraw/zinc/63/70/14/1051637014.db2.gz RAGWMVLVPFAIKX-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO CCC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001173221344 1051637200 /nfs/dbraw/zinc/63/72/00/1051637200.db2.gz MHGUZNMKJYYTJX-KSSFIOAISA-N 1 0 313.401 4.052 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1csc(Cl)c1 ZINC001173219830 1051637279 /nfs/dbraw/zinc/63/72/79/1051637279.db2.gz PLRJJRBZKBLPEJ-JTQLQIEISA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1ccccc1F ZINC001173222631 1051637300 /nfs/dbraw/zinc/63/73/00/1051637300.db2.gz YCMIQSLJJAXPES-ZDUSSCGKSA-N 1 0 316.376 4.190 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NC[C@@H](C)c1ccc(O)cc1 ZINC001169538797 1051638896 /nfs/dbraw/zinc/63/88/96/1051638896.db2.gz KJVUQHXLDUXTDG-MRXNPFEDSA-O 1 0 313.465 4.204 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)CCC(F)(F)CC1 ZINC001173226200 1051639500 /nfs/dbraw/zinc/63/95/00/1051639500.db2.gz WBMHDKXEDBYMOZ-GFCCVEGCSA-N 1 0 312.360 4.083 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC001173231815 1051641273 /nfs/dbraw/zinc/64/12/73/1051641273.db2.gz DFGDQKXNDAIARB-MRXNPFEDSA-N 1 0 322.408 4.315 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001173231826 1051641390 /nfs/dbraw/zinc/64/13/90/1051641390.db2.gz NMKXNZWNHBGPTA-BHYGNILZSA-N 1 0 322.408 4.113 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2o1 ZINC001173234824 1051641867 /nfs/dbraw/zinc/64/18/67/1051641867.db2.gz QFXKXINKKXMXBO-CYBMUJFWSA-N 1 0 310.353 4.062 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1Cl ZINC001173209229 1051647039 /nfs/dbraw/zinc/64/70/39/1051647039.db2.gz AKQNZMHJYICCDP-CYBMUJFWSA-N 1 0 318.804 4.012 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccccc1F ZINC001173213619 1051648829 /nfs/dbraw/zinc/64/88/29/1051648829.db2.gz JENRJSNMXAHPMM-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(Cl)c1 ZINC001173210447 1051648944 /nfs/dbraw/zinc/64/89/44/1051648944.db2.gz KNFZTOGTRMINKN-CYBMUJFWSA-N 1 0 318.804 4.012 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccc1F ZINC001173213621 1051649795 /nfs/dbraw/zinc/64/97/95/1051649795.db2.gz JENRJSNMXAHPMM-OLZOCXBDSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(Cl)c1 ZINC001173210448 1051650306 /nfs/dbraw/zinc/65/03/06/1051650306.db2.gz KNFZTOGTRMINKN-ZDUSSCGKSA-N 1 0 318.804 4.012 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001173238600 1051673724 /nfs/dbraw/zinc/67/37/24/1051673724.db2.gz WAJBBTGJOBTJJN-AUUYWEPGSA-N 1 0 310.397 4.145 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc(C)c1[N+](=O)[O-] ZINC001169699053 1051677102 /nfs/dbraw/zinc/67/71/02/1051677102.db2.gz TYNZFOSSHKOLNQ-HNNXBMFYSA-N 1 0 311.385 4.143 20 5 DIBDRO O=[N+]([O-])c1cc(F)cc(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001216483626 1051786044 /nfs/dbraw/zinc/78/60/44/1051786044.db2.gz BZDVIWUDELEIJG-UHFFFAOYSA-N 1 0 315.348 4.073 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(Cl)cc1F ZINC000494394709 1051890443 /nfs/dbraw/zinc/89/04/43/1051890443.db2.gz SKHDOBOVTSTIRS-HYXAFXHYSA-N 1 0 320.751 4.190 20 5 DIBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768548962 1051944394 /nfs/dbraw/zinc/94/43/94/1051944394.db2.gz MTJKFXRGZHNABW-NSHDSACASA-N 1 0 316.854 4.212 20 5 DIBDRO COC[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000769398160 1052049609 /nfs/dbraw/zinc/04/96/09/1052049609.db2.gz GZZPOIUXXNNBRF-INIZCTEOSA-N 1 0 305.421 4.461 20 5 DIBDRO F[C@@H]1C[NH2+]CC[C@@H]1OCc1c2ccccc2cc2ccccc21 ZINC001217796324 1052144881 /nfs/dbraw/zinc/14/48/81/1052144881.db2.gz YQMMEMYEHFKPGL-UXHICEINSA-N 1 0 309.384 4.210 20 5 DIBDRO F[C@H]1C[NH2+]CCC[C@H]1Oc1c2ccccc2cc2ccccc21 ZINC001217952938 1052176705 /nfs/dbraw/zinc/17/67/05/1052176705.db2.gz YQTGHNAXOQMPAJ-RBUKOAKNSA-N 1 0 309.384 4.462 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(OC4CC[NH2+]CC4)c3c2n1 ZINC001217964964 1052178636 /nfs/dbraw/zinc/17/86/36/1052178636.db2.gz JUQLROVJJIWGHW-UHFFFAOYSA-N 1 0 306.409 4.136 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001217985562 1052181082 /nfs/dbraw/zinc/18/10/82/1052181082.db2.gz GYFUWYUJUSFXAU-RDTXWAMCSA-N 1 0 306.409 4.155 20 5 DIBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001217985559 1052181488 /nfs/dbraw/zinc/18/14/88/1052181488.db2.gz GYFUWYUJUSFXAU-KBXCAEBGSA-N 1 0 306.409 4.155 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2CCC[NH2+]CC2)c2ccccc12 ZINC001217997009 1052182680 /nfs/dbraw/zinc/18/26/80/1052182680.db2.gz PAWPDFUMMQZQBI-CQSZACIVSA-N 1 0 307.393 4.220 20 5 DIBDRO C[C@H](Oc1c2ccccc2c(O)c2ccccc21)C1CC[NH2+]CC1 ZINC001218004067 1052184061 /nfs/dbraw/zinc/18/40/61/1052184061.db2.gz BMSZKEIIRBQGDF-AWEZNQCLSA-N 1 0 321.420 4.466 20 5 DIBDRO F[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc2cc3ccccc3cc2c1 ZINC001218019047 1052185443 /nfs/dbraw/zinc/18/54/43/1052185443.db2.gz OJPFYSKHZZXMJL-UXHICEINSA-N 1 0 309.384 4.462 20 5 DIBDRO C[C@@H]1C[C@H](Oc2c3ccccc3c(O)c3ccccc32)CC[NH2+]1 ZINC001218052135 1052189387 /nfs/dbraw/zinc/18/93/87/1052189387.db2.gz BBKMOZJKUZBQQR-ZIAGYGMSSA-N 1 0 307.393 4.218 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2O[C@H]1CSC2(C[NH2+]C2)C1 ZINC001218098530 1052197692 /nfs/dbraw/zinc/19/76/92/1052197692.db2.gz BIJSGQAYGUDWRX-MRXNPFEDSA-N 1 0 321.445 4.219 20 5 DIBDRO O=[N+]([O-])c1cccc(CN(Cc2cc(Cl)cs2)C2CC2)c1 ZINC000495065730 1052206084 /nfs/dbraw/zinc/20/60/84/1052206084.db2.gz KDQXXTJYBKOUGX-UHFFFAOYSA-N 1 0 322.817 4.474 20 5 DIBDRO c1ccc2nc3c(cccc3O[C@@H]3CC[NH2+]C4(CCC4)C3)cc2c1 ZINC001218307912 1052221591 /nfs/dbraw/zinc/22/15/91/1052221591.db2.gz VYFHLXMXFQFCHD-QGZVFWFLSA-N 1 0 318.420 4.442 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218465853 1052242685 /nfs/dbraw/zinc/24/26/85/1052242685.db2.gz JYVIOEOJVUSQIZ-PWIZWCRZSA-N 1 0 303.405 4.370 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4C[C@@H]5CC[C@H]4[NH2+]5)c3c2n1 ZINC001218479134 1052245052 /nfs/dbraw/zinc/24/50/52/1052245052.db2.gz CTKBKQHIOHOMIN-KVSKMBFKSA-N 1 0 318.420 4.277 20 5 DIBDRO Clc1c2ccccc2c(CN2CCC23C[NH2+]C3)c2ccccc12 ZINC001222303845 1052477887 /nfs/dbraw/zinc/47/78/87/1052477887.db2.gz UZEMWSQPTUMQSI-UHFFFAOYSA-N 1 0 322.839 4.194 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000194384466 1052538649 /nfs/dbraw/zinc/53/86/49/1052538649.db2.gz HVMUQXJRQYNQLF-XHDPSFHLSA-N 1 0 319.430 4.470 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OC1(Cl)c2ccccc2-c2ccccc21 ZINC001223116870 1052568724 /nfs/dbraw/zinc/56/87/24/1052568724.db2.gz HOIQWORLQOVTTP-AWEZNQCLSA-N 1 0 316.852 4.218 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(Sc2ccccc2)cc1 ZINC001223175795 1052575584 /nfs/dbraw/zinc/57/55/84/1052575584.db2.gz LGRRLEQHLIKXHH-INIZCTEOSA-N 1 0 316.490 4.449 20 5 DIBDRO C[C@H](C[N+](C)(C)C)OCc1ccccc1Oc1ccccc1 ZINC001223200773 1052578744 /nfs/dbraw/zinc/57/87/44/1052578744.db2.gz POCBFDCZTXCTGM-MRXNPFEDSA-N 1 0 300.422 4.090 20 5 DIBDRO Cc1c(C[NH2+]CC2(c3ccccc3)CCC2)cccc1[N+](=O)[O-] ZINC000917136549 1052709544 /nfs/dbraw/zinc/70/95/44/1052709544.db2.gz PRIQQAVBPPCEJK-UHFFFAOYSA-N 1 0 310.397 4.115 20 5 DIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000609287654 1052841129 /nfs/dbraw/zinc/84/11/29/1052841129.db2.gz IXIOPSZXGRRFOF-BZUAXINKSA-N 1 0 318.417 4.052 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000556921041 1052900728 /nfs/dbraw/zinc/90/07/28/1052900728.db2.gz LTUWOLNUNIOVNI-STQMWFEESA-N 1 0 324.384 4.191 20 5 DIBDRO C[C@@H](F)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000557040579 1052915714 /nfs/dbraw/zinc/91/57/14/1052915714.db2.gz BNHSXKOVTOUNHM-LLVKDONJSA-N 1 0 308.378 4.161 20 5 DIBDRO CC(C)N(Cc1cccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000920091135 1052917560 /nfs/dbraw/zinc/91/75/60/1052917560.db2.gz WEIJEXULABBXHD-UHFFFAOYSA-N 1 0 308.378 4.206 20 5 DIBDRO CCCCCCC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001226780584 1052930359 /nfs/dbraw/zinc/93/03/59/1052930359.db2.gz PXOQZJZYRZTXBZ-MRXNPFEDSA-N 1 0 306.470 4.313 20 5 DIBDRO CN1CCC[C@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000920415285 1052938603 /nfs/dbraw/zinc/93/86/03/1052938603.db2.gz MOJPQXKNEZTCLC-SFHVURJKSA-N 1 0 304.437 4.177 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(C)(C)C)c(O)cc1C(C)(C)C ZINC001226902373 1052943979 /nfs/dbraw/zinc/94/39/79/1052943979.db2.gz PZLVJGUGXDQKCS-AWEZNQCLSA-O 1 0 322.513 4.461 20 5 DIBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001227130358 1052964283 /nfs/dbraw/zinc/96/42/83/1052964283.db2.gz QPGOMKIFWSPITH-SECBINFHSA-N 1 0 321.204 4.011 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000609541426 1052981762 /nfs/dbraw/zinc/98/17/62/1052981762.db2.gz QNYNZNZSAJLGBJ-UHFFFAOYSA-N 1 0 318.417 4.150 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCC2CC2)o1 ZINC000609902164 1052998974 /nfs/dbraw/zinc/99/89/74/1052998974.db2.gz UCXQIVNMWUFANS-UHFFFAOYSA-N 1 0 300.358 4.135 20 5 DIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000610003495 1053002271 /nfs/dbraw/zinc/00/22/71/1053002271.db2.gz BFEOIIZTVOPFOQ-AWEZNQCLSA-N 1 0 316.376 4.105 20 5 DIBDRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000610089188 1053007938 /nfs/dbraw/zinc/00/79/38/1053007938.db2.gz ISEGUEZJACBLFE-ZDUSSCGKSA-N 1 0 302.374 4.237 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)o1 ZINC000615720040 1053028361 /nfs/dbraw/zinc/02/83/61/1053028361.db2.gz DGPNMGPDYUPWMW-YRNVUSSQSA-N 1 0 306.749 4.034 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001227999897 1053035165 /nfs/dbraw/zinc/03/51/65/1053035165.db2.gz GPXQJEXZXSLIHT-ITGUQSILSA-N 1 0 324.808 4.031 20 5 DIBDRO C[N@@H+]1CCC[C@H](Oc2cccc3cc4ccccc4nc32)CC1 ZINC001228176735 1053050248 /nfs/dbraw/zinc/05/02/48/1053050248.db2.gz QPBROQNUPYYWSU-KRWDZBQOSA-N 1 0 306.409 4.251 20 5 DIBDRO Cc1cc(C)c(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001228237501 1053056224 /nfs/dbraw/zinc/05/62/24/1053056224.db2.gz LSYFKWKVATVOKZ-UHFFFAOYSA-N 1 0 320.433 4.242 20 5 DIBDRO Cc1c(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000180873743 1053100175 /nfs/dbraw/zinc/10/01/75/1053100175.db2.gz WRTRQZNEGJXZNB-UHFFFAOYSA-N 1 0 320.339 4.206 20 5 DIBDRO C[NH+](C)C1CCC(Oc2ccc3nc4ccccc4nc3c2)CC1 ZINC001228742415 1053172122 /nfs/dbraw/zinc/17/21/22/1053172122.db2.gz YQRDUCNAKLVYCG-UHFFFAOYSA-N 1 0 321.424 4.035 20 5 DIBDRO CC1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC001318589314 1053177090 /nfs/dbraw/zinc/17/70/90/1053177090.db2.gz FDBAUFMYKMTWIW-UHFFFAOYSA-N 1 0 316.332 4.168 20 5 DIBDRO CC(C)[NH+]1CC(Oc2c3ccccc3c(O)c3ccccc32)C1 ZINC001229025261 1053228697 /nfs/dbraw/zinc/22/86/97/1053228697.db2.gz NBKQDPZNXFRDSW-UHFFFAOYSA-N 1 0 307.393 4.170 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2C[NH+]3CCC2CC3)c2ccccc12 ZINC001229027342 1053228771 /nfs/dbraw/zinc/22/87/71/1053228771.db2.gz RSENRYDQKHTRJL-LJQANCHMSA-N 1 0 319.404 4.172 20 5 DIBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181610393 1053258240 /nfs/dbraw/zinc/25/82/40/1053258240.db2.gz VOEVSCFOHTUBQF-KRWDZBQOSA-N 1 0 320.339 4.360 20 5 DIBDRO COc1cc(C)nc(CSCc2cccc([N+](=O)[O-])c2C)c1 ZINC001320093894 1053303548 /nfs/dbraw/zinc/30/35/48/1053303548.db2.gz DTPZFJCFXMETRR-UHFFFAOYSA-N 1 0 318.398 4.049 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ccccc31)CCC2 ZINC000618562198 1053323294 /nfs/dbraw/zinc/32/32/94/1053323294.db2.gz HXJPFVYXYCHWTB-MOPGFXCFSA-N 1 0 308.381 4.249 20 5 DIBDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571384 1053325265 /nfs/dbraw/zinc/32/52/65/1053325265.db2.gz HEQSBXAURNXGSZ-UGSOOPFHSA-N 1 0 311.385 4.026 20 5 DIBDRO C[C@@H](Oc1cccc([C@@H](C)[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC001229627713 1053368780 /nfs/dbraw/zinc/36/87/80/1053368780.db2.gz QYJMAEINMUYQHP-ZIAGYGMSSA-N 1 0 314.385 4.357 20 5 DIBDRO Cc1c([C@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000182215136 1053379247 /nfs/dbraw/zinc/37/92/47/1053379247.db2.gz JARMWRVHEZIZOT-ZDUSSCGKSA-N 1 0 314.360 4.382 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1[C@H](C)c1ccccc1 ZINC001229684949 1053382938 /nfs/dbraw/zinc/38/29/38/1053382938.db2.gz LFYDCLFRGRMPNF-HZPDHXFCSA-O 1 0 314.449 4.018 20 5 DIBDRO CS[C@@H]1CC[C@H]([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001321750167 1053430709 /nfs/dbraw/zinc/43/07/09/1053430709.db2.gz ZNMZZQYDCIYNPZ-QSNQCMLGSA-N 1 0 320.458 4.214 20 5 DIBDRO O=[N+]([O-])c1ccc(CNC2(c3cccc(F)c3)CC2)c(Cl)c1 ZINC000182438124 1053440126 /nfs/dbraw/zinc/44/01/26/1053440126.db2.gz XPMXOWYWLSSFDK-UHFFFAOYSA-N 1 0 320.751 4.166 20 5 DIBDRO CC(C)(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000182437178 1053440779 /nfs/dbraw/zinc/44/07/79/1053440779.db2.gz JFUUCOXFGDKENU-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1 ZINC001322149770 1053464476 /nfs/dbraw/zinc/46/44/76/1053464476.db2.gz MTHNYGBXXHQLID-GQCTYLIASA-N 1 0 318.323 4.018 20 5 DIBDRO Cc1ccc(O[C@@H](CC[NH+](C)C)c2cccs2)c([N+](=O)[O-])c1 ZINC001230142845 1053484388 /nfs/dbraw/zinc/48/43/88/1053484388.db2.gz CBQPLDDBPQUNCS-HNNXBMFYSA-N 1 0 320.414 4.037 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000183391802 1053649719 /nfs/dbraw/zinc/64/97/19/1053649719.db2.gz YNXAZAQTJSWIQA-UHFFFAOYSA-N 1 0 316.323 4.068 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001328062584 1053904985 /nfs/dbraw/zinc/90/49/85/1053904985.db2.gz RYXNXVILQNYJQP-YUELXQCFSA-N 1 0 324.371 4.242 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)nc12 ZINC001232218888 1053992472 /nfs/dbraw/zinc/99/24/72/1053992472.db2.gz ODGVDBQFIQZFRK-CALCHBBNSA-N 1 0 303.409 4.015 20 5 DIBDRO C[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)[C@H]1C ZINC001232222809 1053995142 /nfs/dbraw/zinc/99/51/42/1053995142.db2.gz ZSCOCOCVOLEUBL-CABCVRRESA-N 1 0 305.425 4.403 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)nc12 ZINC001232220564 1053996561 /nfs/dbraw/zinc/99/65/61/1053996561.db2.gz QKSCMTNOGQNDLB-MAUKXSAKSA-N 1 0 317.436 4.405 20 5 DIBDRO C[C@]1(F)CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219513 1053996935 /nfs/dbraw/zinc/99/69/35/1053996935.db2.gz VANKKDVMBIAOGK-FQEVSTJZSA-N 1 0 323.415 4.497 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C/C=C\c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001200810693 1053997889 /nfs/dbraw/zinc/99/78/89/1053997889.db2.gz AAMYRGILJFACSN-VQTKUKTRSA-N 1 0 314.360 4.406 20 5 DIBDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001200845107 1054032935 /nfs/dbraw/zinc/03/29/35/1054032935.db2.gz QOVOPSYDSTUUFA-APWZRJJASA-N 1 0 316.445 4.500 20 5 DIBDRO CCC[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001330320903 1054034084 /nfs/dbraw/zinc/03/40/84/1054034084.db2.gz XRVYFDNUTVZYMB-FAAHXZRKSA-N 1 0 310.344 4.069 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000848526944 1054127610 /nfs/dbraw/zinc/12/76/10/1054127610.db2.gz MNWJLWLKAKDJPH-BXUZGUMPSA-N 1 0 302.399 4.303 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001337942044 1054293726 /nfs/dbraw/zinc/29/37/26/1054293726.db2.gz LPVIXUGGNJFFNP-UHFFFAOYSA-N 1 0 310.397 4.108 20 5 DIBDRO CC(C)c1cc(Br)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234310054 1054495406 /nfs/dbraw/zinc/49/54/06/1054495406.db2.gz CZUYDGUSQCAGBL-LBPRGKRZSA-N 1 0 315.275 4.046 20 5 DIBDRO Cc1cc(OC2CC[NH+](C(C)(C)C)CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001234869932 1054609534 /nfs/dbraw/zinc/60/95/34/1054609534.db2.gz FAKLTCXFNPJXRG-UHFFFAOYSA-N 1 0 320.433 4.162 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)C2CCCC2)c(F)c1 ZINC001474595667 1054837284 /nfs/dbraw/zinc/83/72/84/1054837284.db2.gz ORELVGPNMNMTRE-KRWDZBQOSA-N 1 0 306.381 4.182 20 5 DIBDRO C[NH2+][C@@H]1CCN1Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001236165879 1054976716 /nfs/dbraw/zinc/97/67/16/1054976716.db2.gz AWZJKXNGOZBZLR-FQEVSTJZSA-N 1 0 316.404 4.442 20 5 DIBDRO [NH3+][C@@H]1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001236170332 1054978232 /nfs/dbraw/zinc/97/82/32/1054978232.db2.gz UZPRALRWTVPGCO-GOSISDBHSA-N 1 0 300.405 4.117 20 5 DIBDRO Clc1c2ccccc2c(CN2C[C@H]3C[NH2+]C[C@@H]32)c2ccccc12 ZINC001236297317 1055049336 /nfs/dbraw/zinc/04/93/36/1055049336.db2.gz UYJXKGRKRVNXGC-YJYMSZOUSA-N 1 0 322.839 4.050 20 5 DIBDRO c1cnc2c(c1)ccc1ccc(-c3cccc4c3CC[NH2+]C4)nc12 ZINC001236343348 1055068856 /nfs/dbraw/zinc/06/88/56/1055068856.db2.gz INLHTUSHKMVIEY-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO c1cnc2c(c1)cc(-c1cccc3c1CC[NH2+]C3)c1cccnc12 ZINC001236351706 1055070224 /nfs/dbraw/zinc/07/02/24/1055070224.db2.gz DMHANZYUGRPDQR-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO CC(C)([NH2+]Cc1sccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000193141000 1055101475 /nfs/dbraw/zinc/10/14/75/1055101475.db2.gz UOQNWSGGLANLJT-UHFFFAOYSA-N 1 0 310.806 4.335 20 5 DIBDRO C[C@@H]([NH2+]CCSCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000764616950 1055224827 /nfs/dbraw/zinc/22/48/27/1055224827.db2.gz VJOPAPMYNULQSI-CQSZACIVSA-N 1 0 316.426 4.179 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000765440914 1055393436 /nfs/dbraw/zinc/39/34/36/1055393436.db2.gz VCPBOOYOXZALDG-RDTXWAMCSA-N 1 0 314.385 4.103 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCSCC(C)C ZINC001620863502 1055492093 /nfs/dbraw/zinc/49/20/93/1055492093.db2.gz RSFIEXPKTOZCRH-XNTDXEJSSA-N 1 0 322.474 4.367 20 5 DIBDRO CC(C)c1ccc(CNc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC001620930234 1055547475 /nfs/dbraw/zinc/54/74/75/1055547475.db2.gz QTJVQNGMPHFPRR-UHFFFAOYSA-N 1 0 310.357 4.207 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC001168553536 1055569660 /nfs/dbraw/zinc/56/96/60/1055569660.db2.gz UBVCTQQJEQHYEN-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1c(C[NH2+]CC(C)(C)c2ccccc2F)cccc1[N+](=O)[O-] ZINC001649044042 1055687477 /nfs/dbraw/zinc/68/74/77/1055687477.db2.gz XNTHBIGJXIYDPC-UHFFFAOYSA-N 1 0 316.376 4.110 20 5 DIBDRO OCCC1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000186175635 1055715527 /nfs/dbraw/zinc/71/55/27/1055715527.db2.gz ISBWNDYLOQDCHN-UHFFFAOYSA-N 1 0 305.421 4.245 20 5 DIBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1(C)C ZINC001620812629 1056005284 /nfs/dbraw/zinc/00/52/84/1056005284.db2.gz OEWUWAROGUIYLH-AEFFLSMTSA-N 1 0 320.433 4.011 20 5 DIBDRO CC1=NO[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC001621051940 1056011388 /nfs/dbraw/zinc/01/13/88/1056011388.db2.gz ZBLFFVHPKUBFCQ-QGZVFWFLSA-N 1 0 304.393 4.247 20 5 DIBDRO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C(C)C ZINC001621334728 1056038510 /nfs/dbraw/zinc/03/85/10/1056038510.db2.gz UVEZIHZKZBUCOB-ZBFHGGJFSA-N 1 0 310.825 4.361 20 5 DIBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C(C)C ZINC001621334727 1056038758 /nfs/dbraw/zinc/03/87/58/1056038758.db2.gz UVEZIHZKZBUCOB-HOCLYGCPSA-N 1 0 310.825 4.361 20 5 DIBDRO C[C@H](N[C@@H](C)c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000090963348 1056122865 /nfs/dbraw/zinc/12/28/65/1056122865.db2.gz UBJIFCHGMXFEHH-QWRGUYRKSA-N 1 0 306.312 4.285 20 5 DIBDRO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000090963350 1056123597 /nfs/dbraw/zinc/12/35/97/1056123597.db2.gz UBJIFCHGMXFEHH-WDEREUQCSA-N 1 0 306.312 4.285 20 5 DIBDRO CC(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC001611769972 1056188136 /nfs/dbraw/zinc/18/81/36/1056188136.db2.gz DVFOXCGBTPVYBN-KRWDZBQOSA-N 1 0 323.412 4.046 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc3c2CCC3)cc1 ZINC001620822721 1056284515 /nfs/dbraw/zinc/28/45/15/1056284515.db2.gz OUKDLOZEXRBAKH-UHFFFAOYSA-N 1 0 324.424 4.196 20 5 DIBDRO CC(C)[N@@H+]1CCCC[C@@H]1CSCc1ccc([N+](=O)[O-])cc1 ZINC001613674453 1056397434 /nfs/dbraw/zinc/39/74/34/1056397434.db2.gz URPLRLNSGDODIV-MRXNPFEDSA-N 1 0 308.447 4.091 20 5 DIBDRO C[C@H]([NH2+]CCSc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000037855117 1056457792 /nfs/dbraw/zinc/45/77/92/1056457792.db2.gz NVUUMDHNQWMKRX-ZDUSSCGKSA-N 1 0 302.399 4.038 20 5 DIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001615204177 1056475996 /nfs/dbraw/zinc/47/59/96/1056475996.db2.gz JMRZMFRTGUFGDU-QGZVFWFLSA-N 1 0 314.360 4.379 20 5 DIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC001615201022 1056476199 /nfs/dbraw/zinc/47/61/99/1056476199.db2.gz UODSSIIJOZMQTP-SFHVURJKSA-N 1 0 318.417 4.018 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001615290147 1056486812 /nfs/dbraw/zinc/48/68/12/1056486812.db2.gz BVHHCHADTCWAFV-NVXWUHKLSA-N 1 0 310.397 4.454 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC001615500155 1056524444 /nfs/dbraw/zinc/52/44/44/1056524444.db2.gz DXNOYOOSCPCTOO-GOSISDBHSA-N 1 0 300.402 4.226 20 5 DIBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001615601419 1056542683 /nfs/dbraw/zinc/54/26/83/1056542683.db2.gz UTWJHPPKGHAGKB-MEDUHNTESA-N 1 0 312.360 4.274 20 5 DIBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001615804485 1056578486 /nfs/dbraw/zinc/57/84/86/1056578486.db2.gz DTOUCILLYKKXSM-SUMWQHHRSA-N 1 0 314.360 4.112 20 5 DIBDRO CCc1ccc(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001615931164 1056598143 /nfs/dbraw/zinc/59/81/43/1056598143.db2.gz IHAFYKRCQWOWSY-UHFFFAOYSA-N 1 0 324.424 4.364 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC001616628734 1056690330 /nfs/dbraw/zinc/69/03/30/1056690330.db2.gz FLCSKOIFHQUBII-HUUCEWRRSA-N 1 0 302.418 4.476 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccc1C ZINC001620832449 1056695067 /nfs/dbraw/zinc/69/50/67/1056695067.db2.gz CPRSSOGYYKZUGH-QINSGFPZSA-N 1 0 310.397 4.139 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccc1C ZINC001620832448 1056699711 /nfs/dbraw/zinc/69/97/11/1056699711.db2.gz CPRSSOGYYKZUGH-NTCAYCPXSA-N 1 0 310.397 4.139 20 5 DIBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000113342170 1056714735 /nfs/dbraw/zinc/71/47/35/1056714735.db2.gz ZKZJHOAHVXKHLG-LLVKDONJSA-N 1 0 319.430 4.243 20 5 DIBDRO CCC1(CC)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001617232530 1056799108 /nfs/dbraw/zinc/79/91/08/1056799108.db2.gz ZMDNOBJQFNOXBI-UHFFFAOYSA-N 1 0 304.434 4.430 20 5 DIBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001617275956 1056805071 /nfs/dbraw/zinc/80/50/71/1056805071.db2.gz YJWPPTSJJNUEFY-SUMWQHHRSA-N 1 0 308.397 4.428 20 5 DIBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC001617381316 1056823735 /nfs/dbraw/zinc/82/37/35/1056823735.db2.gz FUYXPHMWKSMFJU-INIZCTEOSA-N 1 0 316.445 4.430 20 5 DIBDRO CC(C)([NH2+]CCCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001618196476 1056932797 /nfs/dbraw/zinc/93/27/97/1056932797.db2.gz NURXBHZMBUBUDY-UHFFFAOYSA-N 1 0 312.413 4.442 20 5 DIBDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282347801 1056998695 /nfs/dbraw/zinc/99/86/95/1056998695.db2.gz AKIVEMBSLIKIRT-LLVKDONJSA-N 1 0 320.389 4.307 20 5 DIBDRO CC(C)c1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000922537517 1057030026 /nfs/dbraw/zinc/03/00/26/1057030026.db2.gz HPYUVCQNHCBQCF-LLVKDONJSA-N 1 0 305.403 4.026 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000390856934 1057051337 /nfs/dbraw/zinc/05/13/37/1057051337.db2.gz ADDPHCGHHQDQNK-KGLIPLIRSA-N 1 0 310.397 4.495 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922845010 1057069446 /nfs/dbraw/zinc/06/94/46/1057069446.db2.gz KADQCUYLASUFKT-OMVNSRBRSA-N 1 0 318.442 4.016 20 5 DIBDRO CCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000156289291 1057076747 /nfs/dbraw/zinc/07/67/47/1057076747.db2.gz IXXKPZWXPRQBHS-GFCCVEGCSA-N 1 0 304.415 4.378 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000556243059 1057132836 /nfs/dbraw/zinc/13/28/36/1057132836.db2.gz YYQICLQXRPBOPF-MNEFBYGVSA-N 1 0 324.424 4.309 20 5 DIBDRO C[N@H+](CCC1CC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000557014464 1057174893 /nfs/dbraw/zinc/17/48/93/1057174893.db2.gz RYSNRQJNFJGSPR-UHFFFAOYSA-N 1 0 300.358 4.087 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000173361536 1057295448 /nfs/dbraw/zinc/29/54/48/1057295448.db2.gz NOPFVJMWJMOQSM-PIGZYNQJSA-N 1 0 300.333 4.072 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2C2CC2)o1 ZINC000611268537 1057587043 /nfs/dbraw/zinc/58/70/43/1057587043.db2.gz JFDHQKBLBFIHFU-INIZCTEOSA-N 1 0 312.369 4.229 20 5 DIBDRO CC[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336832 1057591213 /nfs/dbraw/zinc/59/12/13/1057591213.db2.gz PFANHQKHVDCOJZ-IAGOWNOFSA-N 1 0 320.433 4.231 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000611336835 1057591401 /nfs/dbraw/zinc/59/14/01/1057591401.db2.gz PNDITGVIHZUDPZ-PBHICJAKSA-N 1 0 320.433 4.149 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(OC(C)C)CC1 ZINC000611337220 1057591458 /nfs/dbraw/zinc/59/14/58/1057591458.db2.gz NCZQSYUZSOZXJN-HPUBIQBYSA-N 1 0 320.433 4.290 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000731452834 1057744053 /nfs/dbraw/zinc/74/40/53/1057744053.db2.gz PLDWMXQMVLMSRK-JTQLQIEISA-N 1 0 324.302 4.171 20 5 DIBDRO C[NH2+]Cc1cccc(-c2ncnc3cc4ccccc4cc32)c1F ZINC001244860157 1058058821 /nfs/dbraw/zinc/05/88/21/1058058821.db2.gz ZERWHABHTWEKCE-UHFFFAOYSA-N 1 0 317.367 4.309 20 5 DIBDRO Cc1ccc(NCCCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001559082268 1058972275 /nfs/dbraw/zinc/97/22/75/1058972275.db2.gz HLLMNFGSMHOBRG-UHFFFAOYSA-N 1 0 319.449 4.361 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001559282508 1059140581 /nfs/dbraw/zinc/14/05/81/1059140581.db2.gz VJJTZIOKXLBTCP-UHFFFAOYSA-N 1 0 317.433 4.112 20 5 DIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCC3CCC3)CC2)cc1 ZINC001559565156 1059394735 /nfs/dbraw/zinc/39/47/35/1059394735.db2.gz GBACDSPXPKLAJE-UHFFFAOYSA-N 1 0 318.417 4.018 20 5 DIBDRO C[C@@H]1CCC[C@H](CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001559595111 1059428519 /nfs/dbraw/zinc/42/85/19/1059428519.db2.gz YSZIULCOKWAMOO-HUUCEWRRSA-N 1 0 302.418 4.169 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCC(C)(C)CC1 ZINC001559595380 1059428782 /nfs/dbraw/zinc/42/87/82/1059428782.db2.gz CUENJJCSOOKCJT-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO CCc1ccccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001559607301 1059440093 /nfs/dbraw/zinc/44/00/93/1059440093.db2.gz IBKBTQYPFKBYAU-UHFFFAOYSA-N 1 0 310.397 4.322 20 5 DIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC2(CCC2)C1 ZINC001559639162 1059467126 /nfs/dbraw/zinc/46/71/26/1059467126.db2.gz BNUJTQJJGCDDJU-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001559644904 1059468758 /nfs/dbraw/zinc/46/87/58/1059468758.db2.gz PANYNHKUJIZQGQ-ZBFHGGJFSA-N 1 0 308.397 4.428 20 5 DIBDRO CC(C)C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001559649363 1059474493 /nfs/dbraw/zinc/47/44/93/1059474493.db2.gz FBUSNNZUFWKANK-MRXNPFEDSA-N 1 0 320.433 4.122 20 5 DIBDRO CC(C)C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001559649362 1059474817 /nfs/dbraw/zinc/47/48/17/1059474817.db2.gz FBUSNNZUFWKANK-INIZCTEOSA-N 1 0 320.433 4.122 20 5 DIBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001559673639 1059498250 /nfs/dbraw/zinc/49/82/50/1059498250.db2.gz OPEZJXFOXXJVBK-BPUTZDHNSA-N 1 0 318.417 4.004 20 5 DIBDRO c1ccc2c(c1)cc(-c1noc([C@H]3CCC[NH2+]3)n1)c1ccccc21 ZINC001247497490 1059502988 /nfs/dbraw/zinc/50/29/88/1059502988.db2.gz KEPWQMBOWLIURF-GOSISDBHSA-N 1 0 315.376 4.468 20 5 DIBDRO Cc1ccc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001559686982 1059515254 /nfs/dbraw/zinc/51/52/54/1059515254.db2.gz VTHXOHHVXQYGDY-INIZCTEOSA-N 1 0 312.413 4.495 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCCC2(F)F)C2CC2)cc1 ZINC001559713291 1059540933 /nfs/dbraw/zinc/54/09/33/1059540933.db2.gz LVMGRJALLVCTKF-CQSZACIVSA-N 1 0 324.371 4.385 20 5 DIBDRO CCCC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCC1 ZINC001559737524 1059568462 /nfs/dbraw/zinc/56/84/62/1059568462.db2.gz YMSIBVNJZCFJOT-OAHLLOKOSA-N 1 0 324.396 4.191 20 5 DIBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC001559742944 1059573506 /nfs/dbraw/zinc/57/35/06/1059573506.db2.gz AHHXZLIJAORLRW-GOSISDBHSA-N 1 0 310.397 4.201 20 5 DIBDRO CC(C)(C[NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247625688 1059578818 /nfs/dbraw/zinc/57/88/18/1059578818.db2.gz WNUPYJYAERFFIZ-UHFFFAOYSA-N 1 0 317.392 4.279 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCC[C@@H]1C ZINC001559751337 1059581026 /nfs/dbraw/zinc/58/10/26/1059581026.db2.gz COBOAKYDYIRKSF-XJKSGUPXSA-N 1 0 306.406 4.004 20 5 DIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2ccccc21 ZINC001559782819 1059619376 /nfs/dbraw/zinc/61/93/76/1059619376.db2.gz ZIUMQJBLIPGSCI-UHFFFAOYSA-N 1 0 320.392 4.423 20 5 DIBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001559921149 1059736808 /nfs/dbraw/zinc/73/68/08/1059736808.db2.gz GMEIFVDVRDPKPW-GJZGRUSLSA-N 1 0 308.397 4.381 20 5 DIBDRO c1ccc2c(c1)cc(-c1noc([C@H]3CC[NH2+]C3)n1)c1ccccc21 ZINC001248184996 1059746501 /nfs/dbraw/zinc/74/65/01/1059746501.db2.gz VMXDIPBPXZIZCH-AWEZNQCLSA-N 1 0 315.376 4.120 20 5 DIBDRO c1ccc2c(c1)cc(-c1noc([C@H]3CC[NH2+]3)n1)c1ccccc21 ZINC001248285020 1059772817 /nfs/dbraw/zinc/77/28/17/1059772817.db2.gz QZMCURXXCOIYOI-QGZVFWFLSA-N 1 0 301.349 4.077 20 5 DIBDRO CCCCC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560017502 1059820592 /nfs/dbraw/zinc/82/05/92/1059820592.db2.gz LQICVWPKSGFHIZ-FUHWJXTLSA-N 1 0 320.433 4.063 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c(F)c1 ZINC001560017941 1059830417 /nfs/dbraw/zinc/83/04/17/1059830417.db2.gz ZELXWNMTWVECNV-OAHLLOKOSA-N 1 0 306.381 4.279 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC001560132627 1059935267 /nfs/dbraw/zinc/93/52/67/1059935267.db2.gz BKHAYIQFDOVVOK-FZKQIMNGSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1cc(C)c2c(c1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC001560241808 1060009378 /nfs/dbraw/zinc/00/93/78/1060009378.db2.gz YAKLPGKJNBVLKO-UHFFFAOYSA-N 1 0 310.397 4.078 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCCc1ccccc1 ZINC001560254469 1060021311 /nfs/dbraw/zinc/02/13/11/1060021311.db2.gz XUXCISJUTUIFHU-UHFFFAOYSA-N 1 0 312.413 4.324 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)CC1CCCCC1 ZINC001560413665 1060197706 /nfs/dbraw/zinc/19/77/06/1060197706.db2.gz RAWZYJPHAFLYAN-AWEZNQCLSA-N 1 0 320.433 4.300 20 5 DIBDRO CC(C)=CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560438629 1060226640 /nfs/dbraw/zinc/22/66/40/1060226640.db2.gz BMOJVBVHZXWKHH-UHFFFAOYSA-N 1 0 300.358 4.301 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(Cl)cc1F ZINC001560447579 1060237386 /nfs/dbraw/zinc/23/73/86/1060237386.db2.gz YZIFIJSXHSPLNP-UHFFFAOYSA-N 1 0 322.767 4.294 20 5 DIBDRO C[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001560460849 1060253545 /nfs/dbraw/zinc/25/35/45/1060253545.db2.gz BHKJUKATVOVGFB-GWCFXTLKSA-N 1 0 316.323 4.282 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001560510088 1060307079 /nfs/dbraw/zinc/30/70/79/1060307079.db2.gz DNVHOXWIRHODCD-JKSUJKDBSA-N 1 0 302.418 4.270 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)o1 ZINC001560516055 1060316304 /nfs/dbraw/zinc/31/63/04/1060316304.db2.gz RIPKVEKLIQJTDV-QWHCGFSZSA-N 1 0 318.348 4.225 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)C[C@H]2C[C@H]2C1 ZINC001560552693 1060364652 /nfs/dbraw/zinc/36/46/52/1060364652.db2.gz KASLSLMYKLFINS-KJRBWKCTSA-N 1 0 300.402 4.024 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C=CCC3)s2)cc1 ZINC001560571296 1060385436 /nfs/dbraw/zinc/38/54/36/1060385436.db2.gz NLANSIWUZKTXCE-ZDUSSCGKSA-N 1 0 314.410 4.379 20 5 DIBDRO CS[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001560752389 1060618202 /nfs/dbraw/zinc/61/82/02/1060618202.db2.gz CQCAVRNPKGTHEJ-CYBMUJFWSA-N 1 0 316.854 4.116 20 5 DIBDRO CC(C)=CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001560753381 1060620229 /nfs/dbraw/zinc/62/02/29/1060620229.db2.gz DLCZRHWNPPFTOC-UHFFFAOYSA-N 1 0 302.296 4.060 20 5 DIBDRO CC[C@@H]1CCC[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001560825071 1060685121 /nfs/dbraw/zinc/68/51/21/1060685121.db2.gz AJRCKQSHLDLMPK-CVEARBPZSA-N 1 0 304.434 4.286 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC001560894862 1060756065 /nfs/dbraw/zinc/75/60/65/1060756065.db2.gz WYVDRAJXBXXSGU-YBEGLDIGSA-N 1 0 322.408 4.365 20 5 DIBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC001560970067 1060835389 /nfs/dbraw/zinc/83/53/89/1060835389.db2.gz JBVHTRILDNKPPL-GFCCVEGCSA-N 1 0 320.339 4.075 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCC(F)(F)CC2)c(F)c1 ZINC001561043120 1060893597 /nfs/dbraw/zinc/89/35/97/1060893597.db2.gz QDUHBDMGKBUSQS-UHFFFAOYSA-N 1 0 316.323 4.039 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC001473229541 1061009772 /nfs/dbraw/zinc/00/97/72/1061009772.db2.gz ANCYWTJFJDJUPM-AZUAARDMSA-N 1 0 322.408 4.496 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@@H]1C(C)C ZINC001462288609 1061081735 /nfs/dbraw/zinc/08/17/35/1061081735.db2.gz ARGYFWHZDSIBFN-ZGUWOUCSSA-N 1 0 302.418 4.365 20 5 DIBDRO CCOc1cc(C[N@H+](CC2CC2)CC2CCC2)ccc1[N+](=O)[O-] ZINC001473423736 1061153592 /nfs/dbraw/zinc/15/35/92/1061153592.db2.gz MXCKQARCFCMCEN-UHFFFAOYSA-N 1 0 318.417 4.006 20 5 DIBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001462416702 1061160581 /nfs/dbraw/zinc/16/05/81/1061160581.db2.gz SNWAHOFYLAASEG-MEDUHNTESA-N 1 0 316.788 4.066 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCC3CCC3)C2)cc1 ZINC001473486875 1061187682 /nfs/dbraw/zinc/18/76/82/1061187682.db2.gz STJCNPHTUZFYOK-KRWDZBQOSA-N 1 0 302.418 4.355 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCC(F)CC1 ZINC001462479949 1061200658 /nfs/dbraw/zinc/20/06/58/1061200658.db2.gz PKPFUJVYEWGCSR-QFWMXSHPSA-N 1 0 314.788 4.255 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001462512611 1061222847 /nfs/dbraw/zinc/22/28/47/1061222847.db2.gz NRBXNVRGVVSDAP-AEGPPILISA-N 1 0 316.426 4.247 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2CC2)CC1 ZINC001473527826 1061226441 /nfs/dbraw/zinc/22/64/41/1061226441.db2.gz UYSUFUUTPFWXJM-UHFFFAOYSA-N 1 0 318.417 4.004 20 5 DIBDRO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001473541497 1061233569 /nfs/dbraw/zinc/23/35/69/1061233569.db2.gz DTXMYANKQWHEQO-UHOFOFEASA-N 1 0 320.433 4.228 20 5 DIBDRO O=[N+]([O-])c1ccc(CNc2ccc3c([nH+]2)CCCC3)cc1Cl ZINC001462560877 1061263400 /nfs/dbraw/zinc/26/34/00/1061263400.db2.gz GALUQDRAPZBTGV-UHFFFAOYSA-N 1 0 317.776 4.134 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001473595862 1061280240 /nfs/dbraw/zinc/28/02/40/1061280240.db2.gz PXNBWEXKXQUXIH-INIZCTEOSA-N 1 0 306.381 4.279 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC001462593175 1061285610 /nfs/dbraw/zinc/28/56/10/1061285610.db2.gz ZHKWIUYYRRJEJQ-JTQLQIEISA-N 1 0 318.339 4.385 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001473621785 1061297440 /nfs/dbraw/zinc/29/74/40/1061297440.db2.gz QDDGQFYQWVXDJE-OAHLLOKOSA-N 1 0 318.417 4.006 20 5 DIBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC001458135305 1061590720 /nfs/dbraw/zinc/59/07/20/1061590720.db2.gz HHQBGKWYWBGTIW-ZDUSSCGKSA-N 1 0 311.451 4.031 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](C)c1ccccc1 ZINC001474129063 1061673907 /nfs/dbraw/zinc/67/39/07/1061673907.db2.gz RYBJJOUJUALXDA-AWEZNQCLSA-N 1 0 312.413 4.495 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC001474129788 1061676112 /nfs/dbraw/zinc/67/61/12/1061676112.db2.gz VYQWWXGTZGFFRV-UHFFFAOYSA-N 1 0 324.424 4.422 20 5 DIBDRO Cc1cc2cc(C[NH2+]CCc3ccccc3[N+](=O)[O-])oc2cc1C ZINC001474132028 1061679414 /nfs/dbraw/zinc/67/94/14/1061679414.db2.gz VAJPLWPBRPAEFW-UHFFFAOYSA-N 1 0 324.380 4.290 20 5 DIBDRO CCSc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC001474248489 1061814019 /nfs/dbraw/zinc/81/40/19/1061814019.db2.gz RWRNPPUTIHGUSM-UHFFFAOYSA-N 1 0 316.426 4.305 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC001474343613 1061946247 /nfs/dbraw/zinc/94/62/47/1061946247.db2.gz SEKGWCBKKKPHMA-IRXDYDNUSA-N 1 0 320.458 4.072 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC001474343612 1061947920 /nfs/dbraw/zinc/94/79/20/1061947920.db2.gz SEKGWCBKKKPHMA-IAGOWNOFSA-N 1 0 320.458 4.072 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC001474343614 1061948603 /nfs/dbraw/zinc/94/86/03/1061948603.db2.gz SEKGWCBKKKPHMA-SJORKVTESA-N 1 0 320.458 4.072 20 5 DIBDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474396683 1062054471 /nfs/dbraw/zinc/05/44/71/1062054471.db2.gz MRJAEGBFIOLNIN-JKSUJKDBSA-N 1 0 310.825 4.349 20 5 DIBDRO CC(C)[N@H+](CCCc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001459345959 1062100119 /nfs/dbraw/zinc/10/01/19/1062100119.db2.gz RNUGHCCEULUDOI-UHFFFAOYSA-N 1 0 318.442 4.500 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC001474445478 1062123822 /nfs/dbraw/zinc/12/38/22/1062123822.db2.gz GAQZJCDVZGAHPL-HLLBOEOZSA-N 1 0 304.434 4.474 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC001474445479 1062124385 /nfs/dbraw/zinc/12/43/85/1062124385.db2.gz GAQZJCDVZGAHPL-INMHGKMJSA-N 1 0 304.434 4.474 20 5 DIBDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001474460966 1062139428 /nfs/dbraw/zinc/13/94/28/1062139428.db2.gz JTKXWGBCCRDCAG-ZFWWWQNUSA-N 1 0 308.397 4.428 20 5 DIBDRO CSc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254536515 1062162989 /nfs/dbraw/zinc/16/29/89/1062162989.db2.gz PQVUTKOIWDUPBH-ZDUSSCGKSA-N 1 0 316.426 4.038 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)c1ccccc1 ZINC001254537301 1062163351 /nfs/dbraw/zinc/16/33/51/1062163351.db2.gz ZJYMCZOHAMPDMI-HNNXBMFYSA-N 1 0 312.413 4.093 20 5 DIBDRO Cc1ccc(Cl)cc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254536138 1062163538 /nfs/dbraw/zinc/16/35/38/1062163538.db2.gz ODFNWOADYDJCTD-ZDUSSCGKSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ccccc2c1 ZINC001254536148 1062163631 /nfs/dbraw/zinc/16/36/31/1062163631.db2.gz ALPUUWAZUNOKLZ-HNNXBMFYSA-N 1 0 320.392 4.469 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001254535145 1062163859 /nfs/dbraw/zinc/16/38/59/1062163859.db2.gz HRGAXHRZZVUUIX-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C1CC1 ZINC001254536756 1062164856 /nfs/dbraw/zinc/16/48/56/1062164856.db2.gz SFCKXMONFGAPCT-AWEZNQCLSA-N 1 0 310.397 4.193 20 5 DIBDRO C[C@@H]([NH3+])c1ccc2c(ccn2[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254532241 1062165601 /nfs/dbraw/zinc/16/56/01/1062165601.db2.gz LVTMSLCXDZAMTJ-ZIAGYGMSSA-N 1 0 323.396 4.373 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC001254541668 1062167865 /nfs/dbraw/zinc/16/78/65/1062167865.db2.gz IFZZHYHCOHFVDL-SWLSCSKDSA-N 1 0 302.374 4.168 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254540347 1062168315 /nfs/dbraw/zinc/16/83/15/1062168315.db2.gz RTCWTKPGWBHBDW-KSSFIOAISA-N 1 0 310.397 4.111 20 5 DIBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001459494395 1062170480 /nfs/dbraw/zinc/17/04/80/1062170480.db2.gz VXWFJQTUJKYUIJ-AWEZNQCLSA-N 1 0 308.397 4.382 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001254542996 1062171174 /nfs/dbraw/zinc/17/11/74/1062171174.db2.gz QZMQDHCRGPBWBG-DYVFJYSZSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C1CCCCC1 ZINC001254549129 1062172477 /nfs/dbraw/zinc/17/24/77/1062172477.db2.gz RWYUVPVSBROORS-AWEZNQCLSA-N 1 0 304.434 4.474 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc([C@H](C)[NH3+])c2ccccc21 ZINC001254550831 1062173255 /nfs/dbraw/zinc/17/32/55/1062173255.db2.gz RUOYGYJNMKLFAF-KGLIPLIRSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@@H]([NH3+])c1cn([C@@H](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001254550832 1062173441 /nfs/dbraw/zinc/17/34/41/1062173441.db2.gz RUOYGYJNMKLFAF-UONOGXRCSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001254550018 1062174112 /nfs/dbraw/zinc/17/41/12/1062174112.db2.gz ZDOVTALRYHTRQM-YJBOKZPZSA-N 1 0 324.424 4.236 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC001254563694 1062178834 /nfs/dbraw/zinc/17/88/34/1062178834.db2.gz BJNBDJWUOGQECO-INIZCTEOSA-N 1 0 312.413 4.275 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC001254563695 1062180468 /nfs/dbraw/zinc/18/04/68/1062180468.db2.gz BJNBDJWUOGQECO-MRXNPFEDSA-N 1 0 312.413 4.275 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C/C=C/c1ccccc1 ZINC001254559559 1062180965 /nfs/dbraw/zinc/18/09/65/1062180965.db2.gz KXRUGVMKLLLDHB-KXKDPZRNSA-N 1 0 310.397 4.171 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCCCC2 ZINC001254567323 1062182512 /nfs/dbraw/zinc/18/25/12/1062182512.db2.gz BHSHSIZBNMCXIO-HNNXBMFYSA-N 1 0 302.418 4.182 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCC1CCCCCC1)C2 ZINC001254576388 1062187506 /nfs/dbraw/zinc/18/75/06/1062187506.db2.gz WENOWUGSMGTLRS-QGZVFWFLSA-N 1 0 302.418 4.012 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C2 ZINC001254579892 1062189471 /nfs/dbraw/zinc/18/94/71/1062189471.db2.gz WUMWDKPNAYYKTC-ICSRJNTNSA-N 1 0 322.408 4.193 20 5 DIBDRO C[C@H](CC1CCCCC1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578210 1062189601 /nfs/dbraw/zinc/18/96/01/1062189601.db2.gz BPXFVOICYJAVTD-DYVFJYSZSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC001254582006 1062190414 /nfs/dbraw/zinc/19/04/14/1062190414.db2.gz RSAKQGUBGJLHHY-BDJLRTHQSA-N 1 0 316.788 4.066 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC001254590653 1062192597 /nfs/dbraw/zinc/19/25/97/1062192597.db2.gz YHCOVVRJIOFKAQ-YLJYHZDGSA-N 1 0 322.408 4.038 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC001254590652 1062192951 /nfs/dbraw/zinc/19/29/51/1062192951.db2.gz YHCOVVRJIOFKAQ-XLIONFOSSA-N 1 0 322.408 4.038 20 5 DIBDRO C[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)Cc1ccccc1 ZINC001254605476 1062195186 /nfs/dbraw/zinc/19/51/86/1062195186.db2.gz AHPGJENAXDJFIB-LJQANCHMSA-N 1 0 324.424 4.015 20 5 DIBDRO CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602388 1062195979 /nfs/dbraw/zinc/19/59/79/1062195979.db2.gz FGBSQTFLHZISBO-RTBURBONSA-N 1 0 310.397 4.145 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@H]1c1ccccc1)C2 ZINC001254597260 1062196112 /nfs/dbraw/zinc/19/61/12/1062196112.db2.gz GQMNDHXELBYCLV-PMACEKPBSA-N 1 0 322.408 4.289 20 5 DIBDRO Cc1sccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001474532594 1062217955 /nfs/dbraw/zinc/21/79/55/1062217955.db2.gz POLDJIQXLMQTRJ-INIZCTEOSA-N 1 0 316.426 4.344 20 5 DIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001459623597 1062258893 /nfs/dbraw/zinc/25/88/93/1062258893.db2.gz MEHJQNHWXLJYLV-CXAGYDPISA-N 1 0 314.360 4.112 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC001474560187 1062266199 /nfs/dbraw/zinc/26/61/99/1062266199.db2.gz HPMSKMAKQJFKTP-HOFZKYPUSA-N 1 0 300.402 4.119 20 5 DIBDRO CCN(Cc1occc1C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001474584579 1062292126 /nfs/dbraw/zinc/29/21/26/1062292126.db2.gz QNMDDZYFGNEXET-UHFFFAOYSA-N 1 0 308.765 4.172 20 5 DIBDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001474610127 1062326110 /nfs/dbraw/zinc/32/61/10/1062326110.db2.gz RJRONLZBGPIJSP-TZMCWYRMSA-N 1 0 314.838 4.012 20 5 DIBDRO C[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001474704194 1062429108 /nfs/dbraw/zinc/42/91/08/1062429108.db2.gz QIHHXSDXDZDORE-OLJMKKDRSA-N 1 0 314.360 4.331 20 5 DIBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001459967965 1062534548 /nfs/dbraw/zinc/53/45/48/1062534548.db2.gz MJBAQBWNXACROH-IUODEOHRSA-N 1 0 324.396 4.143 20 5 DIBDRO Cc1noc(C[NH2+]C(C)(C)CC2CCCCCC2)c1[N+](=O)[O-] ZINC001459964655 1062534727 /nfs/dbraw/zinc/53/47/27/1062534727.db2.gz ZRGZQUVPGIRMAM-UHFFFAOYSA-N 1 0 309.410 4.120 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001460077145 1062619082 /nfs/dbraw/zinc/61/90/82/1062619082.db2.gz TURXYXGQRPSDCN-DNVCBOLYSA-N 1 0 310.397 4.220 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001460126773 1062649279 /nfs/dbraw/zinc/64/92/79/1062649279.db2.gz FPYVPXHXGDXEBJ-OAHLLOKOSA-N 1 0 314.360 4.114 20 5 DIBDRO CC(C)(C)SCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460134950 1062653839 /nfs/dbraw/zinc/65/38/39/1062653839.db2.gz ZWAIWKOCWLZGQD-OAHLLOKOSA-N 1 0 322.474 4.306 20 5 DIBDRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460133321 1062655471 /nfs/dbraw/zinc/65/54/71/1062655471.db2.gz SRXGMYOADFRORG-DOTOQJQBSA-N 1 0 304.434 4.456 20 5 DIBDRO Cc1ccccc1C1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC001460331037 1062787023 /nfs/dbraw/zinc/78/70/23/1062787023.db2.gz JLSHTUFXFRWFJG-UHFFFAOYSA-N 1 0 310.397 4.381 20 5 DIBDRO CC[NH+](CC)[C@@H](CNc1cc(C)ccc1[N+](=O)[O-])CC(C)C ZINC001472650414 1063123253 /nfs/dbraw/zinc/12/32/53/1063123253.db2.gz BKBPYYJTLBKRLZ-OAHLLOKOSA-N 1 0 307.438 4.072 20 5 DIBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC001472725602 1063185789 /nfs/dbraw/zinc/18/57/89/1063185789.db2.gz NONRYMGAHXFAJB-UHFFFAOYSA-N 1 0 315.364 4.066 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC001461165167 1063302984 /nfs/dbraw/zinc/30/29/84/1063302984.db2.gz FDZZMZAPPLOREK-HOCLYGCPSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC001461172755 1063306704 /nfs/dbraw/zinc/30/67/04/1063306704.db2.gz YENVPDRDBARSDB-ZDUSSCGKSA-N 1 0 316.376 4.244 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC001461254216 1063369583 /nfs/dbraw/zinc/36/95/83/1063369583.db2.gz HPWFSZZWAIXPGX-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C(C)C)CC1 ZINC001461288215 1063390850 /nfs/dbraw/zinc/39/08/50/1063390850.db2.gz QSEJRXIOFREADI-UHFFFAOYSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1cc(C)[nH+]c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC001461362914 1063445359 /nfs/dbraw/zinc/44/53/59/1063445359.db2.gz YCTKOXZOBRQEEY-UHFFFAOYSA-N 1 0 323.352 4.479 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(C3CC3)CC2)o1 ZINC001461372859 1063455835 /nfs/dbraw/zinc/45/58/35/1063455835.db2.gz CNWLCIWVRLIVMW-UHFFFAOYSA-N 1 0 312.369 4.135 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC001473152713 1063456853 /nfs/dbraw/zinc/45/68/53/1063456853.db2.gz HUDXUROGUUXLRM-UHFFFAOYSA-N 1 0 306.381 4.280 20 5 DIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001473175354 1063483688 /nfs/dbraw/zinc/48/36/88/1063483688.db2.gz JUNDIORTZYDTAK-IAGOWNOFSA-N 1 0 320.433 4.010 20 5 DIBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1C ZINC001473184221 1063493259 /nfs/dbraw/zinc/49/32/59/1063493259.db2.gz DURDBAWANLGYFP-GHMZBOCLSA-N 1 0 316.323 4.234 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C/C=C\C3CC3)s2)cc1 ZINC001461522653 1063554588 /nfs/dbraw/zinc/55/45/88/1063554588.db2.gz RPYDAJGXDWQWKH-UPHRSURJSA-N 1 0 314.410 4.379 20 5 DIBDRO OC/C=C/C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001461617502 1063615271 /nfs/dbraw/zinc/61/52/71/1063615271.db2.gz DAOIETGUOKESPU-AATRIKPKSA-N 1 0 311.812 4.285 20 5 DIBDRO O[C@H](CC[NH2+]Cc1c2ccccc2cc2ccccc21)C1CC1 ZINC001461809502 1063729124 /nfs/dbraw/zinc/72/91/24/1063729124.db2.gz DDDRWNMSMSLXDR-OAQYLSRUSA-N 1 0 305.421 4.244 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC001461996496 1063868872 /nfs/dbraw/zinc/86/88/72/1063868872.db2.gz RYMKZQWGKVREIE-INIZCTEOSA-N 1 0 306.406 4.052 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C/C=C/c1ccccc1 ZINC001462001684 1063871280 /nfs/dbraw/zinc/87/12/80/1063871280.db2.gz NVBVYOMOOMYURZ-QPJJXVBHSA-N 1 0 302.761 4.051 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C/C=C\c1ccccc1 ZINC001462001682 1063871765 /nfs/dbraw/zinc/87/17/65/1063871765.db2.gz NVBVYOMOOMYURZ-DAXSKMNVSA-N 1 0 302.761 4.051 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC001462120716 1063937579 /nfs/dbraw/zinc/93/75/79/1063937579.db2.gz XKNFXYYFDJDRIH-RTBURBONSA-N 1 0 324.424 4.138 20 5 DIBDRO CC[N@H+](CCCNc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC001307158485 1065287346 /nfs/dbraw/zinc/28/73/46/1065287346.db2.gz DCKTWWSBUCIEOC-UHFFFAOYSA-N 1 0 323.412 4.191 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC001307478086 1065425975 /nfs/dbraw/zinc/42/59/75/1065425975.db2.gz ISEUSHLTDYFNAB-CABCVRRESA-N 1 0 320.433 4.393 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC001307523198 1065461414 /nfs/dbraw/zinc/46/14/14/1065461414.db2.gz KBNMXFRVKLXIQD-LJQANCHMSA-N 1 0 308.381 4.031 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCC2=CCCCC2)C2CC2)c1 ZINC001307537863 1065472943 /nfs/dbraw/zinc/47/29/43/1065472943.db2.gz LTYQCXZIGYJLMQ-UHFFFAOYSA-N 1 0 300.402 4.450 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001307622743 1065524566 /nfs/dbraw/zinc/52/45/66/1065524566.db2.gz VTLJLUIMOXQUTA-OAHLLOKOSA-N 1 0 306.406 4.004 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C)c(F)c1 ZINC001307642767 1065536842 /nfs/dbraw/zinc/53/68/42/1065536842.db2.gz KABWVOQEIZHPLV-MRXNPFEDSA-N 1 0 320.339 4.422 20 5 DIBDRO CC(C)(C)C1=CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307652730 1065544587 /nfs/dbraw/zinc/54/45/87/1065544587.db2.gz ROTDXGJPGZQOQE-UHFFFAOYSA-N 1 0 318.417 4.042 20 5 DIBDRO CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H]1C ZINC001307703643 1065573481 /nfs/dbraw/zinc/57/34/81/1065573481.db2.gz WRKMWQOYPSDKNY-KGLIPLIRSA-N 1 0 306.406 4.002 20 5 DIBDRO C[C@H](CCc1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001307714390 1065580591 /nfs/dbraw/zinc/58/05/91/1065580591.db2.gz ASXPYZKKBFYDFQ-MRXNPFEDSA-N 1 0 312.413 4.090 20 5 DIBDRO CC(C)(C)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001307718904 1065584881 /nfs/dbraw/zinc/58/48/81/1065584881.db2.gz YHHXDAWHVOWKFJ-OAHLLOKOSA-N 1 0 320.433 4.122 20 5 DIBDRO Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CCC3)C2)cc1[N+](=O)[O-] ZINC001307760442 1065609515 /nfs/dbraw/zinc/60/95/15/1065609515.db2.gz GSXZSDKKLUJZIK-UHFFFAOYSA-N 1 0 322.408 4.341 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC001307793553 1065623860 /nfs/dbraw/zinc/62/38/60/1065623860.db2.gz RCZGMAILVWCZKH-QGZVFWFLSA-N 1 0 318.417 4.196 20 5 DIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001307851912 1065652234 /nfs/dbraw/zinc/65/22/34/1065652234.db2.gz GNBRGUXPFMEQHP-DZGCQCFKSA-N 1 0 308.397 4.381 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC001307861731 1065658439 /nfs/dbraw/zinc/65/84/39/1065658439.db2.gz ZKAZIFDZYZHSLX-ZIAGYGMSSA-N 1 0 306.406 4.002 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC001307927042 1065686496 /nfs/dbraw/zinc/68/64/96/1065686496.db2.gz OYAVKSUCTMPZOD-QGZVFWFLSA-N 1 0 318.417 4.196 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(F)(C2CC2)CC1 ZINC001308129521 1065772252 /nfs/dbraw/zinc/77/22/52/1065772252.db2.gz CQPKAOMELMNDQM-CYBMUJFWSA-N 1 0 306.381 4.178 20 5 DIBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CCC(C)C)C2)cc1[N+](=O)[O-] ZINC001308252707 1065856112 /nfs/dbraw/zinc/85/61/12/1065856112.db2.gz PUSTZENBTDBVRA-ZBFHGGJFSA-N 1 0 320.433 4.298 20 5 DIBDRO Cc1c(C[NH2+]CC(C)(C)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC001308270908 1065870379 /nfs/dbraw/zinc/87/03/79/1065870379.db2.gz WBMDFNOTDPXNJL-UHFFFAOYSA-N 1 0 316.376 4.110 20 5 DIBDRO CCCCCC(C)(C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001308307798 1065902370 /nfs/dbraw/zinc/90/23/70/1065902370.db2.gz NJXXDUZLIRTALO-UHFFFAOYSA-N 1 0 324.421 4.005 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CC(C)C)CC1 ZINC001308328028 1065916541 /nfs/dbraw/zinc/91/65/41/1065916541.db2.gz XQSGQUZTRZWQJC-DHDCSXOGSA-N 1 0 302.418 4.414 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC12CCC(CC1)C2 ZINC001308357009 1065935843 /nfs/dbraw/zinc/93/58/43/1065935843.db2.gz DMNHJJNHYNFUAQ-NTEUORMPSA-N 1 0 300.402 4.168 20 5 DIBDRO CC(C)(C)C1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC001308389678 1065958242 /nfs/dbraw/zinc/95/82/42/1065958242.db2.gz FUTHCTQSBSYRFE-UHFFFAOYSA-N 1 0 304.434 4.332 20 5 DIBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001308421788 1065976159 /nfs/dbraw/zinc/97/61/59/1065976159.db2.gz YYDOQRDNEGBXAX-KRWDZBQOSA-N 1 0 310.397 4.113 20 5 DIBDRO Cc1ccc(C[NH2+]CC[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC001308421789 1065978087 /nfs/dbraw/zinc/97/80/87/1065978087.db2.gz YYDOQRDNEGBXAX-QGZVFWFLSA-N 1 0 310.397 4.113 20 5 DIBDRO CC1(C)[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001308431747 1065983661 /nfs/dbraw/zinc/98/36/61/1065983661.db2.gz UYEWAIPJENBBKB-ROUUACIJSA-N 1 0 310.397 4.124 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC001308436529 1065985784 /nfs/dbraw/zinc/98/57/84/1065985784.db2.gz VIVOCRLFFJPMIE-LUOJFMBDSA-N 1 0 314.429 4.414 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC001308436813 1065986827 /nfs/dbraw/zinc/98/68/27/1065986827.db2.gz VIVOCRLFFJPMIE-PRWUGUDTSA-N 1 0 314.429 4.414 20 5 DIBDRO CCN1CC[C@@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001308499292 1066028811 /nfs/dbraw/zinc/02/88/11/1066028811.db2.gz BZBBMWOYBUBBPO-GOSISDBHSA-N 1 0 304.437 4.177 20 5 DIBDRO CCN1CC[C@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001308499293 1066029307 /nfs/dbraw/zinc/02/93/07/1066029307.db2.gz BZBBMWOYBUBBPO-SFHVURJKSA-N 1 0 304.437 4.177 20 5 DIBDRO CN1CC[C@H]1C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001308531371 1066050444 /nfs/dbraw/zinc/05/04/44/1066050444.db2.gz VCYLIDPTBDEKCV-AWEZNQCLSA-N 1 0 324.855 4.440 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1O ZINC000903287293 1066103286 /nfs/dbraw/zinc/10/32/86/1066103286.db2.gz NBMASGUTBAWCOI-DYVFJYSZSA-N 1 0 314.385 4.411 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC001308608971 1066115725 /nfs/dbraw/zinc/11/57/25/1066115725.db2.gz MZUQYOZFPJFSHC-KUHUBIRLSA-N 1 0 310.397 4.405 20 5 DIBDRO CSC(C)(C)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001308615668 1066120883 /nfs/dbraw/zinc/12/08/83/1066120883.db2.gz JZKLGADYXWVOIJ-UHFFFAOYSA-N 1 0 310.463 4.337 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC001308638396 1066131771 /nfs/dbraw/zinc/13/17/71/1066131771.db2.gz VUHZKFUAYCGIKQ-RBFDBLARSA-N 1 0 300.402 4.286 20 5 DIBDRO CCC(C)(C)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001308736342 1066210585 /nfs/dbraw/zinc/21/05/85/1066210585.db2.gz YWYOBLAQZPFSPS-UHFFFAOYSA-N 1 0 321.240 4.039 20 5 DIBDRO C=Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC001308778499 1066250706 /nfs/dbraw/zinc/25/07/06/1066250706.db2.gz TXHLSMNWLVUPTE-UHFFFAOYSA-N 1 0 316.788 4.224 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001308791426 1066266653 /nfs/dbraw/zinc/26/66/53/1066266653.db2.gz IUTBJBFNXMLMTG-SJLPKXTDSA-N 1 0 314.429 4.396 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3sccc3c2)cc1 ZINC001308800170 1066275008 /nfs/dbraw/zinc/27/50/08/1066275008.db2.gz GBFQFGLDMZNYJI-UHFFFAOYSA-N 1 0 312.394 4.142 20 5 DIBDRO CC1(C)CCC(C)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308818748 1066293176 /nfs/dbraw/zinc/29/31/76/1066293176.db2.gz ICRORZJQVLTLQM-UHFFFAOYSA-N 1 0 304.434 4.333 20 5 DIBDRO CC1(C)CC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308876443 1066355197 /nfs/dbraw/zinc/35/51/97/1066355197.db2.gz WBIZJENVVNFWSO-BBRMVZONSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308887965 1066368871 /nfs/dbraw/zinc/36/88/71/1066368871.db2.gz XZPUQMBTRQJKCT-JTQLQIEISA-N 1 0 316.323 4.282 20 5 DIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC1CC=CC1 ZINC001308933530 1066407454 /nfs/dbraw/zinc/40/74/54/1066407454.db2.gz GASFXHZDJNVWKM-UHFFFAOYSA-N 1 0 314.307 4.060 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1C[C@@H]1C1CCCC1 ZINC001308983427 1066431876 /nfs/dbraw/zinc/43/18/76/1066431876.db2.gz DBOCZECHPZAPGL-UKRRQHHQSA-N 1 0 308.809 4.164 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000078970038 185137353 /nfs/dbraw/zinc/13/73/53/185137353.db2.gz VNDQYQZCTNGNQR-NSHDSACASA-N 1 0 322.311 4.047 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000078991736 185142180 /nfs/dbraw/zinc/14/21/80/185142180.db2.gz GGIKNENCVOJRTC-RYUDHWBXSA-N 1 0 318.348 4.154 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000081181387 192234367 /nfs/dbraw/zinc/23/43/67/192234367.db2.gz XUTOFMVDKLSAAF-PIGZYNQJSA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c(C)s1 ZINC000094773529 193396135 /nfs/dbraw/zinc/39/61/35/193396135.db2.gz DXQKFOJENUKHIK-SNVBAGLBSA-N 1 0 308.378 4.263 20 5 DIBDRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000040518025 183090157 /nfs/dbraw/zinc/09/01/57/183090157.db2.gz BVUVDXPPUNCDKZ-UWVGGRQHSA-N 1 0 305.403 4.080 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000061330933 184168865 /nfs/dbraw/zinc/16/88/65/184168865.db2.gz HXXCINOMBWKCGM-RISCZKNCSA-N 1 0 302.399 4.385 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000061330928 184169020 /nfs/dbraw/zinc/16/90/20/184169020.db2.gz HXXCINOMBWKCGM-SMDDNHRTSA-N 1 0 302.399 4.385 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000271570503 129936133 /nfs/dbraw/zinc/93/61/33/129936133.db2.gz VOMXHZBVSAHWKI-ZQIUZPCESA-N 1 0 320.433 4.148 20 5 DIBDRO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297338780 132011504 /nfs/dbraw/zinc/01/15/04/132011504.db2.gz OIGMLTFZLBVHOG-QWRGUYRKSA-N 1 0 306.387 4.077 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000297433203 132014748 /nfs/dbraw/zinc/01/47/48/132014748.db2.gz VMKHKMXLHFCAIE-NWDGAFQWSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000297479393 132018398 /nfs/dbraw/zinc/01/83/98/132018398.db2.gz ZDGLLBPXGLPRCL-STQMWFEESA-N 1 0 316.405 4.092 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000537955442 331686529 /nfs/dbraw/zinc/68/65/29/331686529.db2.gz WTNHDZYHBVECKG-YXJHDRRASA-N 1 0 320.433 4.005 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CCCCC3)o2)c1 ZINC000409636571 332043213 /nfs/dbraw/zinc/04/32/13/332043213.db2.gz GZZAEPVRULQAAD-UHFFFAOYSA-N 1 0 300.358 4.277 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(OC)c1 ZINC000518474194 332061402 /nfs/dbraw/zinc/06/14/02/332061402.db2.gz XVESNGJAJAGQMU-CQSZACIVSA-N 1 0 314.385 4.187 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC000518474635 332061600 /nfs/dbraw/zinc/06/16/00/332061600.db2.gz PUMJHNUAWYRQIS-ZDUSSCGKSA-N 1 0 302.349 4.317 20 5 DIBDRO Cc1c(C[N@@H+](Cc2cccc(F)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000518600285 332091230 /nfs/dbraw/zinc/09/12/30/332091230.db2.gz QEVNVXINYJBHGU-UHFFFAOYSA-N 1 0 316.376 4.453 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000091959860 332097167 /nfs/dbraw/zinc/09/71/67/332097167.db2.gz JWZHNOTWRKGOIN-XHDPSFHLSA-N 1 0 300.383 4.092 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3F)s2)cc1 ZINC000559358043 332126385 /nfs/dbraw/zinc/12/63/85/332126385.db2.gz HDNZQWZUXYYJMC-CABCVRRESA-N 1 0 320.389 4.304 20 5 DIBDRO CS[C@@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180996942 332173010 /nfs/dbraw/zinc/17/30/10/332173010.db2.gz ISFRQTICVBYSRE-SUMWQHHRSA-N 1 0 316.426 4.025 20 5 DIBDRO CCc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000562338179 332580802 /nfs/dbraw/zinc/58/08/02/332580802.db2.gz LRSBZTYUDIOUPV-UHFFFAOYSA-N 1 0 304.415 4.244 20 5 DIBDRO COCCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151634546 332597225 /nfs/dbraw/zinc/59/72/25/332597225.db2.gz HXSKINZPTQMFPG-LBPRGKRZSA-N 1 0 320.414 4.010 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000170686246 332635485 /nfs/dbraw/zinc/63/54/85/332635485.db2.gz FNDWEAUBSLBEBL-LLVKDONJSA-N 1 0 324.302 4.464 20 5 DIBDRO C=Cc1ccc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000462906792 333130430 /nfs/dbraw/zinc/13/04/30/333130430.db2.gz NVYWVKQELNPZIH-ALCCZGGFSA-N 1 0 308.381 4.083 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC=CCC2)o1 ZINC000518780867 333183798 /nfs/dbraw/zinc/18/37/98/333183798.db2.gz DWRSTAWMTBTMIC-AWEZNQCLSA-N 1 0 312.369 4.301 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000391101021 333420030 /nfs/dbraw/zinc/42/00/30/333420030.db2.gz PLTLPKKEQXAEKH-CQSZACIVSA-N 1 0 310.397 4.243 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000061328356 333427662 /nfs/dbraw/zinc/42/76/62/333427662.db2.gz CMSRWEXAIILQJN-ABAIWWIYSA-N 1 0 302.399 4.385 20 5 DIBDRO CC[NH+](CC)Cc1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000123479296 333468771 /nfs/dbraw/zinc/46/87/71/333468771.db2.gz GFRHMWAIDLHRIN-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000048334961 333587343 /nfs/dbraw/zinc/58/73/43/333587343.db2.gz YKXZRJOXMSCMSO-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571298279 333716080 /nfs/dbraw/zinc/71/60/80/333716080.db2.gz VAPGORDHVMTAEA-QWHCGFSZSA-N 1 0 316.323 4.149 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCC(C(F)F)CC1)CCC2 ZINC000414195332 333912372 /nfs/dbraw/zinc/91/23/72/333912372.db2.gz UTNZJBPVPNFHBJ-SEEARECTSA-N 1 0 324.371 4.386 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414282418 333933282 /nfs/dbraw/zinc/93/32/82/333933282.db2.gz NTAZAYJVMUPLOD-NEPJUHHUSA-N 1 0 318.339 4.094 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414517693 334005053 /nfs/dbraw/zinc/00/50/53/334005053.db2.gz RCGYRURTNCZJPW-BCMYLCSRSA-N 1 0 316.323 4.176 20 5 DIBDRO CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000271651745 334024979 /nfs/dbraw/zinc/02/49/79/334024979.db2.gz BGAZKQXIHLRDDI-GHMZBOCLSA-N 1 0 319.430 4.334 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000438472391 334117365 /nfs/dbraw/zinc/11/73/65/334117365.db2.gz XSNVHMYHNPEOIT-VUDGCMKMSA-N 1 0 316.323 4.175 20 5 DIBDRO Cc1ccc(C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000302982384 334295753 /nfs/dbraw/zinc/29/57/53/334295753.db2.gz HZTAGOLIMPNCBW-UHFFFAOYSA-N 1 0 318.442 4.418 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000049155776 334322684 /nfs/dbraw/zinc/32/26/84/334322684.db2.gz KPBRSEQKCYWJBR-QWHCGFSZSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[NH+](C(C)C)C(C)C ZINC000531984187 334359023 /nfs/dbraw/zinc/35/90/23/334359023.db2.gz HTSFQCFWUYWJHI-INIZCTEOSA-N 1 0 321.465 4.063 20 5 DIBDRO COCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341572578 334453601 /nfs/dbraw/zinc/45/36/01/334453601.db2.gz JWHAQDWFMGGONR-RDTXWAMCSA-N 1 0 314.385 4.023 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000417327062 334708789 /nfs/dbraw/zinc/70/87/89/334708789.db2.gz GTQJAVXTXGXBEG-AEGPPILISA-N 1 0 316.426 4.247 20 5 DIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CC23CC3)c2ccccc2)c1 ZINC000417330098 334709211 /nfs/dbraw/zinc/70/92/11/334709211.db2.gz AGENACRAQYGWAE-FUHWJXTLSA-N 1 0 308.381 4.074 20 5 DIBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000537964071 335311907 /nfs/dbraw/zinc/31/19/07/335311907.db2.gz DWCHPKZSFNFGLU-CQSZACIVSA-N 1 0 314.385 4.071 20 5 DIBDRO COCC(C)(C)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348324789 335577159 /nfs/dbraw/zinc/57/71/59/335577159.db2.gz LFSDZYPYLDYOAS-QGZVFWFLSA-N 1 0 320.433 4.015 20 5 DIBDRO CC[C@@H]([NH2+]CCCC(C)(C)COC)c1cccc([N+](=O)[O-])c1 ZINC000348388365 335587243 /nfs/dbraw/zinc/58/72/43/335587243.db2.gz GMGIIAPXXFOJEM-MRXNPFEDSA-N 1 0 308.422 4.088 20 5 DIBDRO C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000323828548 335642777 /nfs/dbraw/zinc/64/27/77/335642777.db2.gz HFUANZYPOWKVRW-OAHLLOKOSA-N 1 0 323.396 4.290 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC1CCCCC1 ZINC000532200410 335915154 /nfs/dbraw/zinc/91/51/54/335915154.db2.gz LRZJNCLJLMNOOR-OAHLLOKOSA-N 1 0 320.433 4.293 20 5 DIBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000332230264 336164228 /nfs/dbraw/zinc/16/42/28/336164228.db2.gz OEZXVPQSIMLJKY-SFHVURJKSA-N 1 0 320.433 4.109 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)CCC2 ZINC000332252443 336164963 /nfs/dbraw/zinc/16/49/63/336164963.db2.gz YBMLBHQSWCQMOH-IUODEOHRSA-N 1 0 310.344 4.140 20 5 DIBDRO CC[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000194384493 338516959 /nfs/dbraw/zinc/51/69/59/338516959.db2.gz HVMUQXJRQYNQLF-IAQYHMDHSA-N 1 0 319.430 4.470 20 5 DIBDRO C[C@@H]([NH2+]CCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000532491777 336250419 /nfs/dbraw/zinc/25/04/19/336250419.db2.gz COZMWZYEXRCCAN-GFCCVEGCSA-N 1 0 304.777 4.142 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000043389836 336255131 /nfs/dbraw/zinc/25/51/31/336255131.db2.gz SNIOWEGDOCBGEL-JTQLQIEISA-N 1 0 308.740 4.238 20 5 DIBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2[nH+]1 ZINC000301665550 336321912 /nfs/dbraw/zinc/32/19/12/336321912.db2.gz LMLLMPHVTGYSCG-UHFFFAOYSA-N 1 0 311.316 4.203 20 5 DIBDRO CC[C@H]([NH2+]CC1(C(F)(F)F)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353953620 336450900 /nfs/dbraw/zinc/45/09/00/336450900.db2.gz GQZQLSSPHWSHBP-ZDUSSCGKSA-N 1 0 316.323 4.368 20 5 DIBDRO CC[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358377622 336627276 /nfs/dbraw/zinc/62/72/76/336627276.db2.gz JJSLTBFJZYEHQT-ROUUACIJSA-N 1 0 311.385 4.182 20 5 DIBDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000193522532 337038153 /nfs/dbraw/zinc/03/81/53/337038153.db2.gz PVBUIDRROOWTCK-KSSFIOAISA-N 1 0 314.385 4.023 20 5 DIBDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000193522543 337038231 /nfs/dbraw/zinc/03/82/31/337038231.db2.gz PVBUIDRROOWTCK-KBXCAEBGSA-N 1 0 314.385 4.023 20 5 DIBDRO CC(C)CC[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582569328 337107358 /nfs/dbraw/zinc/10/73/58/337107358.db2.gz JFWKGHHOJQLGFM-CYBMUJFWSA-N 1 0 303.406 4.033 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000285312792 337595170 /nfs/dbraw/zinc/59/51/70/337595170.db2.gz SPZTYPHWNJNMER-KPZWWZAWSA-N 1 0 312.369 4.029 20 5 DIBDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320587985 337598915 /nfs/dbraw/zinc/59/89/15/337598915.db2.gz BTJZQKWOAWKYHM-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320587991 337598955 /nfs/dbraw/zinc/59/89/55/337598955.db2.gz BTJZQKWOAWKYHM-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421893224 337659350 /nfs/dbraw/zinc/65/93/50/337659350.db2.gz WWTZKSBPDLBRBB-HIFRSBDPSA-N 1 0 320.458 4.087 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000536840091 337737475 /nfs/dbraw/zinc/73/74/75/337737475.db2.gz RVUPCMCMBCRSPD-HNNXBMFYSA-N 1 0 324.371 4.083 20 5 DIBDRO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000119404708 337858229 /nfs/dbraw/zinc/85/82/29/337858229.db2.gz MFIOCWYDUSEPPA-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000090886334 337886629 /nfs/dbraw/zinc/88/66/29/337886629.db2.gz NUSJJVMRABYVHI-XHDPSFHLSA-N 1 0 317.389 4.310 20 5 DIBDRO CCC[C@H]([NH2+]C[C@]1(C)CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000122050929 337907201 /nfs/dbraw/zinc/90/72/01/337907201.db2.gz ORDFSIUQHFYJJG-HOTGVXAUSA-N 1 0 308.447 4.311 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000122274513 337913603 /nfs/dbraw/zinc/91/36/03/337913603.db2.gz CZLHISPDKWJWNH-NSHDSACASA-N 1 0 324.302 4.464 20 5 DIBDRO COCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000122375555 337916147 /nfs/dbraw/zinc/91/61/47/337916147.db2.gz QCZYLDGZEJFKMF-OAHLLOKOSA-N 1 0 320.433 4.151 20 5 DIBDRO COCCC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000122355581 337918664 /nfs/dbraw/zinc/91/86/64/337918664.db2.gz YUSADDWGHYOIAS-OAHLLOKOSA-N 1 0 320.433 4.151 20 5 DIBDRO Cc1cc(F)ccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000516232700 338008409 /nfs/dbraw/zinc/00/84/09/338008409.db2.gz SMOXSBARFISFKN-UHFFFAOYSA-N 1 0 302.349 4.067 20 5 DIBDRO CCCC[C@@H](CC)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425996195 338019346 /nfs/dbraw/zinc/01/93/46/338019346.db2.gz ONDJTDXKYQYJFF-OAHLLOKOSA-N 1 0 322.453 4.035 20 5 DIBDRO CC(C)([NH2+]CCCc1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000429246835 338074656 /nfs/dbraw/zinc/07/46/56/338074656.db2.gz HUJJODNHYMJFEM-UHFFFAOYSA-N 1 0 304.415 4.114 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430035637 338094058 /nfs/dbraw/zinc/09/40/58/338094058.db2.gz CBGLLSMEEREESU-YRBHFNIASA-N 1 0 310.344 4.023 20 5 DIBDRO CSC[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000430200287 338101224 /nfs/dbraw/zinc/10/12/24/338101224.db2.gz UGCCMBJFTYATOY-SCZPIIQISA-N 1 0 320.458 4.073 20 5 DIBDRO C[N@H+](CCSCc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000433021391 338176696 /nfs/dbraw/zinc/17/66/96/338176696.db2.gz GGGPODFHXNUEGG-UHFFFAOYSA-N 1 0 322.455 4.022 20 5 DIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433156297 338183441 /nfs/dbraw/zinc/18/34/41/338183441.db2.gz ITZDTQYJYZYWIM-KRWDZBQOSA-N 1 0 314.360 4.246 20 5 DIBDRO CC1(C)C[C@H]([NH2+]C(C2CC2)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433178223 338184182 /nfs/dbraw/zinc/18/41/82/338184182.db2.gz WFUUSJVRQQARMS-INIZCTEOSA-N 1 0 300.402 4.095 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC2(CC2)CC1 ZINC000434780405 338225490 /nfs/dbraw/zinc/22/54/90/338225490.db2.gz YEVSNIUHSHAKPV-KAMYIIQDSA-N 1 0 300.402 4.311 20 5 DIBDRO CCC[C@@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435024645 338229945 /nfs/dbraw/zinc/22/99/45/338229945.db2.gz FGFDGHMDIUTXFT-KRWDZBQOSA-N 1 0 317.389 4.138 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000435674124 338244826 /nfs/dbraw/zinc/24/48/26/338244826.db2.gz PSZFHJXMRIMZIJ-QEJZJMRPSA-N 1 0 314.360 4.331 20 5 DIBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000435674123 338244828 /nfs/dbraw/zinc/24/48/28/338244828.db2.gz PSZFHJXMRIMZIJ-BPLDGKMQSA-N 1 0 314.360 4.331 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435729415 338246546 /nfs/dbraw/zinc/24/65/46/338246546.db2.gz CUMRKFFRKQRZFX-KOMQPUFPSA-N 1 0 316.788 4.284 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435736965 338247131 /nfs/dbraw/zinc/24/71/31/338247131.db2.gz ZVJUOGMKLJSZIA-JCNLHEQBSA-N 1 0 314.360 4.078 20 5 DIBDRO CSc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000435777152 338248723 /nfs/dbraw/zinc/24/87/23/338248723.db2.gz CGXBWPUVBXNHEM-CYBMUJFWSA-N 1 0 316.426 4.210 20 5 DIBDRO Cc1c(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000155030973 338253392 /nfs/dbraw/zinc/25/33/92/338253392.db2.gz GSTNZGIDEBOCDH-GOSISDBHSA-N 1 0 314.360 4.283 20 5 DIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000436198399 338261688 /nfs/dbraw/zinc/26/16/88/338261688.db2.gz OIQPNKVYIRUOBK-AWEZNQCLSA-N 1 0 314.385 4.105 20 5 DIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000437113341 338301626 /nfs/dbraw/zinc/30/16/26/338301626.db2.gz WRGKMDXPGFNTFQ-MFKMUULPSA-N 1 0 304.312 4.222 20 5 DIBDRO Cc1ccc2cc(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])ccc2n1 ZINC000437798342 338322106 /nfs/dbraw/zinc/32/21/06/338322106.db2.gz KEXVTDQEXWDMNA-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)c(F)c1)CCC2 ZINC000447539557 338555344 /nfs/dbraw/zinc/55/53/44/338555344.db2.gz HDKOXDHDLOLVDL-KRWDZBQOSA-N 1 0 318.323 4.040 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)CCC2 ZINC000447587073 338559775 /nfs/dbraw/zinc/55/97/75/338559775.db2.gz OJACXLWKPWIDQY-OALUTQOASA-N 1 0 323.396 4.108 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cccs1)C1CC1 ZINC000449076714 338591058 /nfs/dbraw/zinc/59/10/58/338591058.db2.gz XQHLHLQBKNOOOX-SJKOYZFVSA-N 1 0 316.426 4.328 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C(F)F)cc1 ZINC000449251600 338606802 /nfs/dbraw/zinc/60/68/02/338606802.db2.gz QLOHNPSNXVXPHM-GFCCVEGCSA-N 1 0 320.339 4.253 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000449348874 338616002 /nfs/dbraw/zinc/61/60/02/338616002.db2.gz HOIHOWGTDDIIFG-QGZVFWFLSA-N 1 0 314.360 4.210 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000449351429 338616478 /nfs/dbraw/zinc/61/64/78/338616478.db2.gz PHPZUXSKFCGKLX-GOSISDBHSA-N 1 0 314.360 4.210 20 5 DIBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2sccc21 ZINC000453154243 338800468 /nfs/dbraw/zinc/80/04/68/338800468.db2.gz ROYMNERTOXECNV-BXUZGUMPSA-N 1 0 302.399 4.385 20 5 DIBDRO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453214542 338808809 /nfs/dbraw/zinc/80/88/09/338808809.db2.gz DMGKXGKTZRHJOY-OCCSQVGLSA-N 1 0 314.410 4.135 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000453243092 338813165 /nfs/dbraw/zinc/81/31/65/338813165.db2.gz RCWYQDDRZKDGHG-DKSSEZFCSA-N 1 0 310.397 4.062 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453579306 338848978 /nfs/dbraw/zinc/84/89/78/338848978.db2.gz JSACNCMWXLIZPF-OAHLLOKOSA-N 1 0 320.433 4.013 20 5 DIBDRO CC(C)([NH2+]CC1CCC(F)(F)CC1)c1ccccc1[N+](=O)[O-] ZINC000459490789 339032454 /nfs/dbraw/zinc/03/24/54/339032454.db2.gz LDHKAEXDGHZQEP-UHFFFAOYSA-N 1 0 312.360 4.245 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC3(CCC3)C2)cc(C(F)(F)F)c1 ZINC000459513996 339033456 /nfs/dbraw/zinc/03/34/56/339033456.db2.gz LETAFMAKANZTRX-UHFFFAOYSA-N 1 0 314.307 4.036 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCCF)c2ccccc2)c1 ZINC000462806189 339090358 /nfs/dbraw/zinc/09/03/58/339090358.db2.gz GCWHFEYMKMUBGD-KRWDZBQOSA-N 1 0 302.349 4.024 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000463710960 339124311 /nfs/dbraw/zinc/12/43/11/339124311.db2.gz PFZNMUGSVDVNOS-SNVBAGLBSA-N 1 0 304.312 4.149 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000464723773 339149972 /nfs/dbraw/zinc/14/99/72/339149972.db2.gz CHOMIMMWVCNZPB-UGSOOPFHSA-N 1 0 314.360 4.317 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000466413806 339203356 /nfs/dbraw/zinc/20/33/56/339203356.db2.gz DOXXJVOAHYVQBD-ZDUSSCGKSA-N 1 0 316.426 4.476 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000466418959 339203654 /nfs/dbraw/zinc/20/36/54/339203654.db2.gz DOXXJVOAHYVQBD-CYBMUJFWSA-N 1 0 316.426 4.476 20 5 DIBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000467189506 339227583 /nfs/dbraw/zinc/22/75/83/339227583.db2.gz DXQSCENFCKTLGW-GJZGRUSLSA-N 1 0 318.417 4.127 20 5 DIBDRO Cc1cccc2c(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000467851491 339247730 /nfs/dbraw/zinc/24/77/30/339247730.db2.gz NMOHDTGDUKXMPK-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO CSc1ccc(F)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467859085 339247955 /nfs/dbraw/zinc/24/79/55/339247955.db2.gz ONYYGUAPQQJGNK-LLVKDONJSA-N 1 0 320.389 4.307 20 5 DIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000467974268 339250335 /nfs/dbraw/zinc/25/03/35/339250335.db2.gz STTZJTORUYXPFY-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000467991319 339250602 /nfs/dbraw/zinc/25/06/02/339250602.db2.gz XMVHEGQYWDURAS-MRXNPFEDSA-N 1 0 302.349 4.017 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000467997352 339250709 /nfs/dbraw/zinc/25/07/09/339250709.db2.gz ALWRDMKSMTVXKN-MSOLQXFVSA-N 1 0 310.397 4.063 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000467997355 339250758 /nfs/dbraw/zinc/25/07/58/339250758.db2.gz ALWRDMKSMTVXKN-ZWKOTPCHSA-N 1 0 310.397 4.063 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1sccc1C ZINC000468644215 339267895 /nfs/dbraw/zinc/26/78/95/339267895.db2.gz YWCAMGCHRRNZGM-WQLSENKSSA-N 1 0 302.399 4.158 20 5 DIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000469794233 339300532 /nfs/dbraw/zinc/30/05/32/339300532.db2.gz OHTVLQQDILGETK-IVMMDQJWSA-N 1 0 308.447 4.310 20 5 DIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000469810411 339301666 /nfs/dbraw/zinc/30/16/66/339301666.db2.gz XCIYZEUOLVIYQL-OLZOCXBDSA-N 1 0 306.406 4.223 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000470170000 339312518 /nfs/dbraw/zinc/31/25/18/339312518.db2.gz NEDRBTVCFFBPKG-JWAFFJSPSA-N 1 0 300.358 4.284 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000470170003 339312539 /nfs/dbraw/zinc/31/25/39/339312539.db2.gz NEDRBTVCFFBPKG-ZVHGMHCTSA-N 1 0 300.358 4.284 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000470172982 339312726 /nfs/dbraw/zinc/31/27/26/339312726.db2.gz GKTJZNGCBASIOQ-QZEGLACASA-N 1 0 308.381 4.445 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(C)o1 ZINC000470173894 339312846 /nfs/dbraw/zinc/31/28/46/339312846.db2.gz OGFKDUWNGWRZFO-UKTHLTGXSA-N 1 0 300.358 4.032 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccoc1C ZINC000470176848 339312960 /nfs/dbraw/zinc/31/29/60/339312960.db2.gz NOLKEVLRSUFYEK-UKTHLTGXSA-N 1 0 300.358 4.032 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCC12CCCC2 ZINC000474055187 339399577 /nfs/dbraw/zinc/39/95/77/339399577.db2.gz ISJKEBYCUSGEEK-HNNXBMFYSA-N 1 0 308.809 4.103 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475328480 339446683 /nfs/dbraw/zinc/44/66/83/339446683.db2.gz BUODRHRIDSJGRI-YOEHRIQHSA-N 1 0 314.360 4.160 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000475335411 339447305 /nfs/dbraw/zinc/44/73/05/339447305.db2.gz HEHBYMLRVPVHDD-UKRRQHHQSA-N 1 0 320.389 4.221 20 5 DIBDRO Cc1c(C[NH2+][C@H](C)CCc2ccsc2)cccc1[N+](=O)[O-] ZINC000478499861 339516674 /nfs/dbraw/zinc/51/66/74/339516674.db2.gz LQRDFBAOVBKOHJ-GFCCVEGCSA-N 1 0 304.415 4.076 20 5 DIBDRO COCCC1(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000478920806 339524738 /nfs/dbraw/zinc/52/47/38/339524738.db2.gz HOBKAVBGILGFSA-OAHLLOKOSA-N 1 0 320.433 4.232 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000479567549 339541583 /nfs/dbraw/zinc/54/15/83/339541583.db2.gz NWMDZIMQFHXZEM-QGZVFWFLSA-N 1 0 316.788 4.068 20 5 DIBDRO Cc1cc2[nH]c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2c(C)c1 ZINC000479573650 339541762 /nfs/dbraw/zinc/54/17/62/339541762.db2.gz LZBCWSFSBFPGDQ-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000480489746 339574738 /nfs/dbraw/zinc/57/47/38/339574738.db2.gz XCKYELNEUSPARD-UHFFFAOYSA-N 1 0 304.777 4.155 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000480724531 339584740 /nfs/dbraw/zinc/58/47/40/339584740.db2.gz VSXSDDQQIDONKP-YXJHDRRASA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@H]([NH2+]CC(C)(C)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000483130132 339653116 /nfs/dbraw/zinc/65/31/16/339653116.db2.gz NEQGLLCFKYGVDK-AWEZNQCLSA-N 1 0 314.385 4.103 20 5 DIBDRO Cc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483631055 339670019 /nfs/dbraw/zinc/67/00/19/339670019.db2.gz CJLKDHNXRTUIQP-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO CCC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000483713841 339672410 /nfs/dbraw/zinc/67/24/10/339672410.db2.gz SSXWNLVQVNZEME-ZWKOTPCHSA-N 1 0 320.433 4.231 20 5 DIBDRO CSc1ccc(F)cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483849729 339676352 /nfs/dbraw/zinc/67/63/52/339676352.db2.gz ALGVGDDBBKXSKB-LLVKDONJSA-N 1 0 320.389 4.307 20 5 DIBDRO CCO[C@H](CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000483870634 339677547 /nfs/dbraw/zinc/67/75/47/339677547.db2.gz KLXDXEFCNPTPPG-RHSMWYFYSA-N 1 0 308.422 4.005 20 5 DIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000498483278 339720791 /nfs/dbraw/zinc/72/07/91/339720791.db2.gz CVZMCGQLXQCSRK-RYUDHWBXSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000486726811 339732645 /nfs/dbraw/zinc/73/26/45/339732645.db2.gz KUCVTSMYGSVWEI-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO CCOc1cc(C[NH2+]C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492769185 339908406 /nfs/dbraw/zinc/90/84/06/339908406.db2.gz KHRDPBPPSSQDPX-UHFFFAOYSA-N 1 0 314.385 4.018 20 5 DIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC(F)(F)F)c2ccccc2)c1 ZINC000493279338 339921866 /nfs/dbraw/zinc/92/18/66/339921866.db2.gz XUPYDXXVYSRETH-HNNXBMFYSA-N 1 0 324.302 4.226 20 5 DIBDRO Cc1cscc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000494464843 339950146 /nfs/dbraw/zinc/95/01/46/339950146.db2.gz LXAXTSKCNSVTDG-MRXNPFEDSA-N 1 0 302.399 4.132 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000499604862 340040562 /nfs/dbraw/zinc/04/05/62/340040562.db2.gz GWAVHZMWEJNZET-CQSZACIVSA-N 1 0 321.380 4.302 20 5 DIBDRO CC[C@H]([NH2+]CCCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000499607063 340040737 /nfs/dbraw/zinc/04/07/37/340040737.db2.gz QMBMUTXPEIHKCG-SFHVURJKSA-N 1 0 320.433 4.232 20 5 DIBDRO CCSCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000500376933 340056012 /nfs/dbraw/zinc/05/60/12/340056012.db2.gz MWHSDWVOCRZRSX-UHFFFAOYSA-N 1 0 320.414 4.088 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000500424536 340058067 /nfs/dbraw/zinc/05/80/67/340058067.db2.gz LCHLULBUBYGNTF-LVDDQXARSA-N 1 0 310.344 4.023 20 5 DIBDRO CC[C@H]1C[C@]1([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500537668 340061832 /nfs/dbraw/zinc/06/18/32/340061832.db2.gz UKRVGPXTBLZSSK-QFBILLFUSA-N 1 0 310.397 4.318 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC2)ccc1Oc1ccc(F)cc1 ZINC000501345642 340078775 /nfs/dbraw/zinc/07/87/75/340078775.db2.gz AEBKMRTWCKXVSQ-UHFFFAOYSA-N 1 0 316.332 4.168 20 5 DIBDRO CC[C@H]1C[C@]1([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502504792 340106354 /nfs/dbraw/zinc/10/63/54/340106354.db2.gz BGJXHKUFQIKJGS-QFBILLFUSA-N 1 0 310.397 4.318 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000502579880 340108431 /nfs/dbraw/zinc/10/84/31/340108431.db2.gz QRWKXGJDYWTMEP-STQMWFEESA-N 1 0 312.360 4.379 20 5 DIBDRO Cc1ccccc1[C@@]1(F)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000502917678 340116515 /nfs/dbraw/zinc/11/65/15/340116515.db2.gz CULVDBZHAXZCRJ-MRXNPFEDSA-N 1 0 320.389 4.035 20 5 DIBDRO C[C@@H]1C[C@]1([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503406557 340127521 /nfs/dbraw/zinc/12/75/21/340127521.db2.gz MGQWXPJFHDGELI-SJKOYZFVSA-N 1 0 316.788 4.273 20 5 DIBDRO CN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1Cl ZINC000503616016 340132534 /nfs/dbraw/zinc/13/25/34/340132534.db2.gz IVYWDDFQTUTKOK-UHFFFAOYSA-N 1 0 308.740 4.019 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000503674329 340133392 /nfs/dbraw/zinc/13/33/92/340133392.db2.gz RJMDWPNXZDGTSZ-UHFFFAOYSA-N 1 0 314.360 4.146 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]CCc2cccc3[nH]ccc32)cccc1[N+](=O)[O-] ZINC000503861214 340135451 /nfs/dbraw/zinc/13/54/51/340135451.db2.gz PNUBMQCKIMAIET-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO CC1CCC([N@H+](Cc2c(F)cccc2[N+](=O)[O-])C2CC2)CC1 ZINC000505790502 340178080 /nfs/dbraw/zinc/17/80/80/340178080.db2.gz NQGXMTVDGBSMCK-UHFFFAOYSA-N 1 0 306.381 4.277 20 5 DIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000507131543 340208616 /nfs/dbraw/zinc/20/86/16/340208616.db2.gz JPTIPCOVZGDFBW-UHFFFAOYSA-N 1 0 306.749 4.102 20 5 DIBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000507173726 340211052 /nfs/dbraw/zinc/21/10/52/340211052.db2.gz AXFVYKKNLXFKON-QGZVFWFLSA-N 1 0 310.397 4.201 20 5 DIBDRO CCN(Cc1cccc([N+](=O)[O-])c1C)Cc1c(F)cccc1F ZINC000507274764 340216364 /nfs/dbraw/zinc/21/63/64/340216364.db2.gz RPAYPIFGIBACLU-UHFFFAOYSA-N 1 0 320.339 4.204 20 5 DIBDRO C[C@H](c1cccs1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000507442258 340219767 /nfs/dbraw/zinc/21/97/67/340219767.db2.gz OBPSXGPPHFHHEV-DMTLFAOVSA-N 1 0 302.399 4.363 20 5 DIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000300413108 340225516 /nfs/dbraw/zinc/22/55/16/340225516.db2.gz YMJFBTBZTWJXAL-BPLDGKMQSA-N 1 0 308.447 4.228 20 5 DIBDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000402605754 340246334 /nfs/dbraw/zinc/24/63/34/340246334.db2.gz PIGKUSCPIAOIJH-WDEREUQCSA-N 1 0 304.312 4.224 20 5 DIBDRO CC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000402626638 340249092 /nfs/dbraw/zinc/24/90/92/340249092.db2.gz WZAVIFCKHUAMHO-MNOVXSKESA-N 1 0 304.312 4.224 20 5 DIBDRO CC[N@H+](CCc1cccs1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000508731762 340251941 /nfs/dbraw/zinc/25/19/41/340251941.db2.gz CYSGWLXHZRFWHA-UHFFFAOYSA-N 1 0 304.415 4.029 20 5 DIBDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511108257 340320938 /nfs/dbraw/zinc/32/09/38/340320938.db2.gz PUZNAXXVBYZIRB-GFCCVEGCSA-N 1 0 320.339 4.109 20 5 DIBDRO CC[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000511505292 340328931 /nfs/dbraw/zinc/32/89/31/340328931.db2.gz CTLVTMVRVAEEAQ-CQSZACIVSA-N 1 0 317.414 4.093 20 5 DIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000303528721 340330544 /nfs/dbraw/zinc/33/05/44/340330544.db2.gz DOWFHSGEHJCELE-LJQANCHMSA-N 1 0 310.397 4.149 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2occc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000511988195 340344651 /nfs/dbraw/zinc/34/46/51/340344651.db2.gz GSUROJKXPPWANW-UHFFFAOYSA-N 1 0 310.353 4.366 20 5 DIBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cccc([N+](=O)[O-])c1 ZINC000513858276 340428869 /nfs/dbraw/zinc/42/88/69/340428869.db2.gz XBUSEECRZANIJV-QZTJIDSGSA-N 1 0 314.360 4.462 20 5 DIBDRO CC[NH+](CC)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000190382545 340544570 /nfs/dbraw/zinc/54/45/70/340544570.db2.gz AMVJGTSRMPNYJH-UHFFFAOYSA-N 1 0 313.401 4.049 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cs2)cc1[N+](=O)[O-] ZINC000193139621 340572948 /nfs/dbraw/zinc/57/29/48/340572948.db2.gz FGRTVHIECHZDMN-SNVBAGLBSA-N 1 0 310.806 4.469 20 5 DIBDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143287 340619143 /nfs/dbraw/zinc/61/91/43/340619143.db2.gz RXUARDRUKXHIDD-WCQYABFASA-N 1 0 314.838 4.012 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000539090806 340872625 /nfs/dbraw/zinc/87/26/25/340872625.db2.gz RJAGUVUVYRGJNS-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000540167742 340919927 /nfs/dbraw/zinc/91/99/27/340919927.db2.gz SENDKZZSYFVSPE-DIFFPNOSSA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000540193687 340922711 /nfs/dbraw/zinc/92/27/11/340922711.db2.gz BYYCDSRMMSLSBN-JTQLQIEISA-N 1 0 310.806 4.469 20 5 DIBDRO Cc1ccsc1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540315469 340926347 /nfs/dbraw/zinc/92/63/47/340926347.db2.gz IPLQNXRGKSGXKY-CYBMUJFWSA-N 1 0 304.415 4.166 20 5 DIBDRO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000540392879 340929233 /nfs/dbraw/zinc/92/92/33/340929233.db2.gz CLKRAXBQGZSFKC-FVQBIDKESA-N 1 0 322.474 4.037 20 5 DIBDRO CS[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542497066 341010421 /nfs/dbraw/zinc/01/04/21/341010421.db2.gz VKYBEILBQJRDSZ-XJKSGUPXSA-N 1 0 324.490 4.283 20 5 DIBDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3C)c21 ZINC000542700589 341017856 /nfs/dbraw/zinc/01/78/56/341017856.db2.gz SCPTZQCANMZRFB-UHFFFAOYSA-N 1 0 323.396 4.025 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)cc1 ZINC000543598948 341050469 /nfs/dbraw/zinc/05/04/69/341050469.db2.gz JLJCUFKKMWIJQZ-QGZVFWFLSA-N 1 0 316.788 4.415 20 5 DIBDRO Cc1ccc(C[NH2+][C@]2(C)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000543748299 341056554 /nfs/dbraw/zinc/05/65/54/341056554.db2.gz RJOVHMOULHZQOU-LJQANCHMSA-N 1 0 310.397 4.245 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2ccsc2)cc1[N+](=O)[O-] ZINC000543978835 341064917 /nfs/dbraw/zinc/06/49/17/341064917.db2.gz BHSBOCZFVULZAR-CYBMUJFWSA-N 1 0 304.415 4.248 20 5 DIBDRO CCC[C@H]([NH2+]CC[C@@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000544374571 341078895 /nfs/dbraw/zinc/07/88/95/341078895.db2.gz VZJJXGLYYVIIPJ-DAYGRLMNSA-N 1 0 320.433 4.231 20 5 DIBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000544574492 341086609 /nfs/dbraw/zinc/08/66/09/341086609.db2.gz WOFRNMJWKIJHGM-KXBFYZLASA-N 1 0 324.424 4.309 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000544613646 341089193 /nfs/dbraw/zinc/08/91/93/341089193.db2.gz KAPYUUJUCCCFID-HNNXBMFYSA-N 1 0 302.399 4.302 20 5 DIBDRO COC1CCC(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000544615910 341089322 /nfs/dbraw/zinc/08/93/22/341089322.db2.gz PVHFDTSZQHPPLW-HPUBIQBYSA-N 1 0 320.433 4.149 20 5 DIBDRO C[C@@H](Cc1ccsc1)[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000545167996 341111026 /nfs/dbraw/zinc/11/10/26/341111026.db2.gz SUGMWNKROVBHRY-LBPRGKRZSA-N 1 0 304.415 4.112 20 5 DIBDRO Cc1c([C@H](C)[NH2+]CCCNc2ccccc2)cccc1[N+](=O)[O-] ZINC000132065460 341115747 /nfs/dbraw/zinc/11/57/47/341115747.db2.gz GRKMNNUOFDUYOD-HNNXBMFYSA-N 1 0 313.401 4.056 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000132436672 341123174 /nfs/dbraw/zinc/12/31/74/341123174.db2.gz MPFOUOSIIUTKEK-GFCCVEGCSA-N 1 0 304.777 4.407 20 5 DIBDRO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000545978292 341149204 /nfs/dbraw/zinc/14/92/04/341149204.db2.gz CHNUVWCWKGGMPN-STJZUHDESA-N 1 0 310.397 4.366 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000076604056 341210551 /nfs/dbraw/zinc/21/05/51/341210551.db2.gz IZCNBUDTGSZIGL-OAHLLOKOSA-N 1 0 302.399 4.036 20 5 DIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000134521191 341217005 /nfs/dbraw/zinc/21/70/05/341217005.db2.gz VXKARNZYTLOBDL-UHFFFAOYSA-N 1 0 304.415 4.157 20 5 DIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000548066722 341245419 /nfs/dbraw/zinc/24/54/19/341245419.db2.gz IGMBARWDWRJQGE-LJQANCHMSA-N 1 0 322.364 4.110 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000079121709 341254020 /nfs/dbraw/zinc/25/40/20/341254020.db2.gz XSBYHJDIOMJLOT-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000080241198 341271413 /nfs/dbraw/zinc/27/14/13/341271413.db2.gz KIENUCXQJRDZOB-AAEUAGOBSA-N 1 0 304.415 4.247 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000549235699 341289371 /nfs/dbraw/zinc/28/93/71/341289371.db2.gz MDFGATZLPOOBDI-KFWWJZLASA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000549407566 341293697 /nfs/dbraw/zinc/29/36/97/341293697.db2.gz GGZWKIASYRZUIL-CQSZACIVSA-N 1 0 316.376 4.012 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551406722 341340801 /nfs/dbraw/zinc/34/08/01/341340801.db2.gz PGQOHOUNKKFFMD-LLVKDONJSA-N 1 0 316.323 4.320 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551707841 341349676 /nfs/dbraw/zinc/34/96/76/341349676.db2.gz XBCUOIFGBNAKLM-NSHDSACASA-N 1 0 316.323 4.320 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000552339812 341387761 /nfs/dbraw/zinc/38/77/61/341387761.db2.gz DPHHQRRFGHZBRN-STQMWFEESA-N 1 0 324.384 4.191 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000552515103 341397107 /nfs/dbraw/zinc/39/71/07/341397107.db2.gz YJKCHBZUIOBMEX-CZUORRHYSA-N 1 0 314.360 4.284 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000552557515 341398609 /nfs/dbraw/zinc/39/86/09/341398609.db2.gz VBYOABMKWAYFQN-CHWSQXEVSA-N 1 0 302.349 4.188 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)s1 ZINC000566002310 341545062 /nfs/dbraw/zinc/54/50/62/341545062.db2.gz GVCZBOHFECRMMO-NEPJUHHUSA-N 1 0 320.389 4.304 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266487779 341587566 /nfs/dbraw/zinc/58/75/66/341587566.db2.gz RSMLMNBYPKEJMC-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Cl)s1 ZINC000567519997 341612068 /nfs/dbraw/zinc/61/20/68/341612068.db2.gz WSRBRMRGACCCRZ-GFCCVEGCSA-N 1 0 308.790 4.087 20 5 DIBDRO CC(C)SCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000568318911 341665096 /nfs/dbraw/zinc/66/50/96/341665096.db2.gz IKACISJMIMTBDN-UHFFFAOYSA-N 1 0 320.414 4.086 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCc2sccc21 ZINC000574414475 341757981 /nfs/dbraw/zinc/75/79/81/341757981.db2.gz NHGUQBWDKYXEIR-HUUCEWRRSA-N 1 0 314.410 4.311 20 5 DIBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583954 341763056 /nfs/dbraw/zinc/76/30/56/341763056.db2.gz RTHQUQPEAJGYLN-ZWKOTPCHSA-N 1 0 308.381 4.168 20 5 DIBDRO CC(C)SCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000577095238 341885458 /nfs/dbraw/zinc/88/54/58/341885458.db2.gz DWJNEBUAXLJENI-UHFFFAOYSA-N 1 0 320.414 4.086 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CO2 ZINC000577347293 341905283 /nfs/dbraw/zinc/90/52/83/341905283.db2.gz OYNFMMMECLGLME-QZTJIDSGSA-N 1 0 324.380 4.004 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178651928 341960920 /nfs/dbraw/zinc/96/09/20/341960920.db2.gz VFMQREAAZIQVAD-LLVKDONJSA-N 1 0 322.311 4.047 20 5 DIBDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266473793 521413487 /nfs/dbraw/zinc/41/34/87/521413487.db2.gz OPKCHQKIXNTNKP-ZIAGYGMSSA-N 1 0 314.385 4.405 20 5 DIBDRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267471594 521573314 /nfs/dbraw/zinc/57/33/14/521573314.db2.gz YAISNHBOIQELRC-ZIAGYGMSSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@H]([NH2+]C[C@H](C)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000181630816 522627987 /nfs/dbraw/zinc/62/79/87/522627987.db2.gz MMOCDMLPHLGBGN-ZBEGNZNMSA-N 1 0 317.389 4.044 20 5 DIBDRO COCC1(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000339458167 522863382 /nfs/dbraw/zinc/86/33/82/522863382.db2.gz XJUNCVOHAMISMH-UHFFFAOYSA-N 1 0 320.433 4.015 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000266446053 525651910 /nfs/dbraw/zinc/65/19/10/525651910.db2.gz IHFARJVSXLHAIY-BDJLRTHQSA-N 1 0 300.333 4.072 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000181235909 525943298 /nfs/dbraw/zinc/94/32/98/525943298.db2.gz DVJNJIKITKVGIS-NWDGAFQWSA-N 1 0 319.792 4.363 20 5 DIBDRO CSC[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000430193414 1035667626 /nfs/dbraw/zinc/66/76/26/1035667626.db2.gz GCGPRNUTZJVINX-HNNXBMFYSA-N 1 0 322.474 4.293 20 5 DIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000261448007 1036205321 /nfs/dbraw/zinc/20/53/21/1036205321.db2.gz DCGVKOLEZLJMRQ-HNNXBMFYSA-N 1 0 302.399 4.302 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC(C)(C)O1 ZINC001167188239 1036255621 /nfs/dbraw/zinc/25/56/21/1036255621.db2.gz YPQUYVHYBUBSCB-QGZVFWFLSA-N 1 0 320.433 4.153 20 5 DIBDRO CC(C)[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000610089330 1036930588 /nfs/dbraw/zinc/93/05/88/1036930588.db2.gz NJKDIQQYCQEEET-GFCCVEGCSA-N 1 0 319.430 4.100 20 5 DIBDRO Cn1cc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)cn1 ZINC000048784461 1037048778 /nfs/dbraw/zinc/04/87/78/1037048778.db2.gz FJHCCPZUZLQKAZ-UHFFFAOYSA-N 1 0 315.420 4.059 20 5 DIBDRO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119227706 1037218590 /nfs/dbraw/zinc/21/85/90/1037218590.db2.gz KUZVIMLRIOGACT-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000579794226 1037265941 /nfs/dbraw/zinc/26/59/41/1037265941.db2.gz TUSPKPGGFNLFSR-PXAZEXFGSA-N 1 0 316.426 4.255 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001167433412 1037291470 /nfs/dbraw/zinc/29/14/70/1037291470.db2.gz CSGSTIKUNJTALT-XHBSWPGZSA-N 1 0 308.809 4.401 20 5 DIBDRO Cc1c(C[NH+]2CCC(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000581598716 1037767588 /nfs/dbraw/zinc/76/75/88/1037767588.db2.gz HUEBWXFSKUCKKW-UHFFFAOYSA-N 1 0 316.323 4.068 20 5 DIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000157367124 1037839119 /nfs/dbraw/zinc/83/91/19/1037839119.db2.gz IMEMSHXLQHQREP-UHFFFAOYSA-N 1 0 317.414 4.094 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000093632881 1037882057 /nfs/dbraw/zinc/88/20/57/1037882057.db2.gz JYWUETQUYBFIIZ-OAHLLOKOSA-N 1 0 304.777 4.489 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC23CCC3)cc(C(F)(F)F)c1 ZINC000337402072 1037906510 /nfs/dbraw/zinc/90/65/10/1037906510.db2.gz DGCLEFUZJXSUGG-CYBMUJFWSA-N 1 0 314.307 4.036 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 ZINC000090909939 1037965232 /nfs/dbraw/zinc/96/52/32/1037965232.db2.gz BLZSRVHJKYVGED-CQSZACIVSA-N 1 0 321.380 4.036 20 5 DIBDRO c1cn(CCC[NH2+]Cc2c3ccccc3cc3ccccc32)cn1 ZINC000060806681 1038033360 /nfs/dbraw/zinc/03/33/60/1038033360.db2.gz OHHJWNOWPPGEHS-UHFFFAOYSA-N 1 0 315.420 4.369 20 5 DIBDRO COCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341572576 1038141690 /nfs/dbraw/zinc/14/16/90/1038141690.db2.gz JWHAQDWFMGGONR-KDOFPFPSSA-N 1 0 314.385 4.023 20 5 DIBDRO CCCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000598640867 1038144492 /nfs/dbraw/zinc/14/44/92/1038144492.db2.gz OTSSISUNUXKXKB-GFCCVEGCSA-N 1 0 304.415 4.460 20 5 DIBDRO CCCCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000610581099 1038202337 /nfs/dbraw/zinc/20/23/37/1038202337.db2.gz IUEOITAFSFGZKC-UHFFFAOYSA-N 1 0 305.378 4.137 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1[N+](=O)[O-] ZINC000276803538 1038224195 /nfs/dbraw/zinc/22/41/95/1038224195.db2.gz MLQBFYZWGPCWSX-LRDDRELGSA-N 1 0 312.369 4.029 20 5 DIBDRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599086664 1038236394 /nfs/dbraw/zinc/23/63/94/1038236394.db2.gz ROQUZCOAMANPKL-LLVKDONJSA-N 1 0 316.323 4.368 20 5 DIBDRO Cc1cc(N2CCCC(F)(F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599133847 1038246524 /nfs/dbraw/zinc/24/65/24/1038246524.db2.gz LZCIRLPSEOAYSX-UHFFFAOYSA-N 1 0 321.327 4.077 20 5 DIBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC(C)(C)CC1 ZINC000610676597 1038250696 /nfs/dbraw/zinc/25/06/96/1038250696.db2.gz AQBZVFLWZFYSPU-UHFFFAOYSA-N 1 0 317.389 4.137 20 5 DIBDRO Cc1ccc(C[NH2+]CC2(c3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC000603633622 1038258997 /nfs/dbraw/zinc/25/89/97/1038258997.db2.gz ZNSCQVRQCDLJRB-UHFFFAOYSA-N 1 0 310.397 4.115 20 5 DIBDRO Cc1c(C[N@H+](Cc2cccc(F)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000603859224 1038305063 /nfs/dbraw/zinc/30/50/63/1038305063.db2.gz WYHFQRDBXAWEOX-UHFFFAOYSA-N 1 0 314.360 4.207 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000603868449 1038308757 /nfs/dbraw/zinc/30/87/57/1038308757.db2.gz MVBUNEKNDNJVJH-QGZVFWFLSA-N 1 0 300.333 4.071 20 5 DIBDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603894761 1038314924 /nfs/dbraw/zinc/31/49/24/1038314924.db2.gz GNEGWBJCLJIQBG-LBPRGKRZSA-N 1 0 320.339 4.109 20 5 DIBDRO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000610805792 1038350350 /nfs/dbraw/zinc/35/03/50/1038350350.db2.gz SXNQQLGDVCYGEA-PXAZEXFGSA-N 1 0 314.410 4.234 20 5 DIBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610859390 1038381393 /nfs/dbraw/zinc/38/13/93/1038381393.db2.gz OLFSAFLDXPSKOI-ZDUSSCGKSA-N 1 0 317.389 4.137 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000038092353 1038409139 /nfs/dbraw/zinc/40/91/39/1038409139.db2.gz LFUKKGGJZZZGIN-LBPRGKRZSA-N 1 0 304.777 4.142 20 5 DIBDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000084440164 1038479906 /nfs/dbraw/zinc/47/99/06/1038479906.db2.gz KXNOVSBMHWFHHB-UHFFFAOYSA-N 1 0 324.833 4.377 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cc1 ZINC000539094448 1038523670 /nfs/dbraw/zinc/52/36/70/1038523670.db2.gz WIKNRZBHEAQQAQ-KRWDZBQOSA-N 1 0 316.788 4.415 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CCC2 ZINC000342313724 1038528388 /nfs/dbraw/zinc/52/83/88/1038528388.db2.gz NENQNGZVBWRTHH-OAHLLOKOSA-N 1 0 302.399 4.132 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000608836532 1038928791 /nfs/dbraw/zinc/92/87/91/1038928791.db2.gz PFBJRDBEPKZQBZ-LBPRGKRZSA-N 1 0 316.426 4.459 20 5 DIBDRO CC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608836706 1038928981 /nfs/dbraw/zinc/92/89/81/1038928981.db2.gz GRJHHMCDKTXYAL-UHFFFAOYSA-N 1 0 304.415 4.459 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000608909318 1038937597 /nfs/dbraw/zinc/93/75/97/1038937597.db2.gz LBRSWGOYKHJHPH-GOSISDBHSA-N 1 0 310.397 4.192 20 5 DIBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001167620848 1038950047 /nfs/dbraw/zinc/95/00/47/1038950047.db2.gz RHEZNFLOGOSNGH-QAPCUYQASA-N 1 0 310.397 4.048 20 5 DIBDRO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000178684464 1038975655 /nfs/dbraw/zinc/97/56/55/1038975655.db2.gz NYWAZVGPGKTYDG-QWRGUYRKSA-N 1 0 319.430 4.334 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000178687505 1038979736 /nfs/dbraw/zinc/97/97/36/1038979736.db2.gz AWGIHTDNNBZXFK-SJKOYZFVSA-N 1 0 314.360 4.380 20 5 DIBDRO CCc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000178730731 1039053948 /nfs/dbraw/zinc/05/39/48/1039053948.db2.gz RIJBGHWFNIIYAO-NSHDSACASA-N 1 0 320.414 4.078 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(C(F)F)CC2)c(Cl)c1 ZINC000442836202 1039237970 /nfs/dbraw/zinc/23/79/70/1039237970.db2.gz NKFHDPNLTXEADM-UHFFFAOYSA-N 1 0 318.751 4.162 20 5 DIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc([N+](=O)[O-])cc1 ZINC000442882800 1039241267 /nfs/dbraw/zinc/24/12/67/1039241267.db2.gz SOZKPBBKOYIWTH-UHFFFAOYSA-N 1 0 309.369 4.098 20 5 DIBDRO CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883440 1039280179 /nfs/dbraw/zinc/28/01/79/1039280179.db2.gz FYRYRSKEEZWPDG-OAHLLOKOSA-N 1 0 315.373 4.014 20 5 DIBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000089883445 1039281445 /nfs/dbraw/zinc/28/14/45/1039281445.db2.gz ASEBTYTZJXYVCW-UHFFFAOYSA-N 1 0 315.373 4.014 20 5 DIBDRO CC1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000539511405 1039282487 /nfs/dbraw/zinc/28/24/87/1039282487.db2.gz BPCYKYZJIUGGJE-UHFFFAOYSA-N 1 0 320.776 4.396 20 5 DIBDRO Cc1cc(F)ccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000539604384 1039298533 /nfs/dbraw/zinc/29/85/33/1039298533.db2.gz NHOAMMZMGUPIIW-CQSZACIVSA-N 1 0 316.376 4.244 20 5 DIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000539824373 1039340114 /nfs/dbraw/zinc/34/01/14/1039340114.db2.gz ASORUHVWCOEPHC-GJZGRUSLSA-N 1 0 308.447 4.009 20 5 DIBDRO CCC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000595047224 1039340928 /nfs/dbraw/zinc/34/09/28/1039340928.db2.gz CEGCHMFQOXWAIF-KSSFIOAISA-N 1 0 313.401 4.224 20 5 DIBDRO CCSCC[C@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000539823531 1039355386 /nfs/dbraw/zinc/35/53/86/1039355386.db2.gz FDLRZQXRASHDSQ-LEJCZOIISA-N 1 0 308.447 4.072 20 5 DIBDRO Cc1[nH]c2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc2c1C ZINC000340438472 1039410428 /nfs/dbraw/zinc/41/04/28/1039410428.db2.gz WBLUAGRUFJQMPT-UHFFFAOYSA-N 1 0 315.398 4.044 20 5 DIBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000052705593 1039524381 /nfs/dbraw/zinc/52/43/81/1039524381.db2.gz KOCZFQZFAOUAPR-AWEZNQCLSA-N 1 0 314.385 4.187 20 5 DIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000540778891 1039567634 /nfs/dbraw/zinc/56/76/34/1039567634.db2.gz POSOXMBUPVCVDL-JYJNAYRXSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000271846090 1039848633 /nfs/dbraw/zinc/84/86/33/1039848633.db2.gz WUAXUATZIQLEKY-OLZOCXBDSA-N 1 0 312.369 4.037 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000491579362 1039856867 /nfs/dbraw/zinc/85/68/67/1039856867.db2.gz PVEMUNCVOWKSSB-LHRNQBEKSA-N 1 0 324.371 4.413 20 5 DIBDRO CCOc1cc(C[N@H+](CC)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000492376420 1039957483 /nfs/dbraw/zinc/95/74/83/1039957483.db2.gz MPOYZJHOWBNXKA-UHFFFAOYSA-N 1 0 320.414 4.077 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000492402060 1039960359 /nfs/dbraw/zinc/96/03/59/1039960359.db2.gz WTIHMGQNZGQAOY-GHMZBOCLSA-N 1 0 304.312 4.367 20 5 DIBDRO CC(C)([NH2+]C/C=C/c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000492442698 1039963357 /nfs/dbraw/zinc/96/33/57/1039963357.db2.gz PTDJCFSZEPSBIE-AATRIKPKSA-N 1 0 314.360 4.272 20 5 DIBDRO Cc1cc(N2CC[C@H](c3ccco3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925263 1040065710 /nfs/dbraw/zinc/06/57/10/1040065710.db2.gz TZFRCMCKVYTMNY-ZDUSSCGKSA-N 1 0 323.352 4.038 20 5 DIBDRO CC(C)CCC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001167688500 1040562723 /nfs/dbraw/zinc/56/27/23/1040562723.db2.gz DSTVCZPXFPRICO-UHFFFAOYSA-N 1 0 308.397 4.382 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000414062313 1040804340 /nfs/dbraw/zinc/80/43/40/1040804340.db2.gz CMSPEZUZIGWWQJ-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000414062306 1040804458 /nfs/dbraw/zinc/80/44/58/1040804458.db2.gz CMSPEZUZIGWWQJ-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414113927 1040882306 /nfs/dbraw/zinc/88/23/06/1040882306.db2.gz ZCWOEOBSUKQNHT-KBPBESRZSA-N 1 0 314.385 4.324 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000173361548 1040885930 /nfs/dbraw/zinc/88/59/30/1040885930.db2.gz NOPFVJMWJMOQSM-GTNSWQLSSA-N 1 0 300.333 4.072 20 5 DIBDRO CCC[C@@H]([NH2+]CCC1CC(OCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000189266696 1041300768 /nfs/dbraw/zinc/30/07/68/1041300768.db2.gz VHFVTWHFQPLDNM-IUPXNIOVSA-N 1 0 320.433 4.231 20 5 DIBDRO CCSCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811500442 1041525939 /nfs/dbraw/zinc/52/59/39/1041525939.db2.gz CLPDEMYWVARTHT-UHFFFAOYSA-N 1 0 323.245 4.134 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC=CCC1 ZINC000811480884 1041528790 /nfs/dbraw/zinc/52/87/90/1041528790.db2.gz ISPTYXMELHCCOH-NSHDSACASA-N 1 0 301.173 4.100 20 5 DIBDRO O=[N+]([O-])c1ccc(CNc2cc3c(c[nH+]2)CCCC3)cc1Cl ZINC000812345666 1041618881 /nfs/dbraw/zinc/61/88/81/1041618881.db2.gz IUYYHZAENFQMHR-UHFFFAOYSA-N 1 0 317.776 4.134 20 5 DIBDRO C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417328182 1041656930 /nfs/dbraw/zinc/65/69/30/1041656930.db2.gz GPWKEGYQSCAQFI-QMTHXVAHSA-N 1 0 316.323 4.150 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000417344478 1041661711 /nfs/dbraw/zinc/66/17/11/1041661711.db2.gz SCYMLQLGVULGKI-AVRGHOLYSA-N 1 0 316.426 4.499 20 5 DIBDRO CC[NH+](CC)Cc1cccc(CNc2ccsc2[N+](=O)[O-])c1 ZINC000063263075 1041886787 /nfs/dbraw/zinc/88/67/87/1041886787.db2.gz IDOHUXFDFXUXCP-UHFFFAOYSA-N 1 0 319.430 4.110 20 5 DIBDRO COC1CCC([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093415024 1041984065 /nfs/dbraw/zinc/98/40/65/1041984065.db2.gz XLBYXQABKKIIGW-UHFFFAOYSA-N 1 0 320.433 4.108 20 5 DIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420942925 1042618741 /nfs/dbraw/zinc/61/87/41/1042618741.db2.gz HRYYCXTWPYRKHI-NWDGAFQWSA-N 1 0 316.323 4.320 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CC(F)F)c2ccccc2)cc1 ZINC000420990443 1042619105 /nfs/dbraw/zinc/61/91/05/1042619105.db2.gz FQOONEBCAPFLAB-MRXNPFEDSA-N 1 0 320.339 4.123 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000513786351 1042685041 /nfs/dbraw/zinc/68/50/41/1042685041.db2.gz DZRXERMWMHYXEM-DOTOQJQBSA-N 1 0 314.429 4.084 20 5 DIBDRO CC1(C)C[C@H](Nc2ccc3c(c2)CCN3)c2cc([N+](=O)[O-])ccc21 ZINC000423220576 1042701398 /nfs/dbraw/zinc/70/13/98/1042701398.db2.gz VRPISPLEQZFATR-SFHVURJKSA-N 1 0 323.396 4.397 20 5 DIBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000514179452 1042773280 /nfs/dbraw/zinc/77/32/80/1042773280.db2.gz RINLENKFTVJMBV-MRXNPFEDSA-N 1 0 316.426 4.172 20 5 DIBDRO Cc1c(C[N@H+](C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000515540241 1042825781 /nfs/dbraw/zinc/82/57/81/1042825781.db2.gz QTAMHJVGROFKIN-UHFFFAOYSA-N 1 0 304.777 4.189 20 5 DIBDRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518215189 1042911448 /nfs/dbraw/zinc/91/14/48/1042911448.db2.gz OPLUKLKCBZKGDA-QGZVFWFLSA-N 1 0 322.364 4.427 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000519160609 1042936018 /nfs/dbraw/zinc/93/60/18/1042936018.db2.gz QWJSADWUIBSUQS-CYBMUJFWSA-N 1 0 318.417 4.145 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000120786043 1042951864 /nfs/dbraw/zinc/95/18/64/1042951864.db2.gz LXCFBXAYNHMTKL-CHWSQXEVSA-N 1 0 302.349 4.454 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1cccs1 ZINC000184404516 1042997465 /nfs/dbraw/zinc/99/74/65/1042997465.db2.gz GMXVHTSFRLVLJN-GFCCVEGCSA-N 1 0 324.377 4.045 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)c1 ZINC000052926218 1043022916 /nfs/dbraw/zinc/02/29/16/1043022916.db2.gz LQJKVJAFTQXGFT-UHFFFAOYSA-N 1 0 311.168 4.191 20 5 DIBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000441327073 1043037799 /nfs/dbraw/zinc/03/77/99/1043037799.db2.gz AEJSFQXQAOICAO-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178651282 1043134984 /nfs/dbraw/zinc/13/49/84/1043134984.db2.gz PLAQSKLGORRNNW-UONOGXRCSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000441487924 1043178644 /nfs/dbraw/zinc/17/86/44/1043178644.db2.gz PRQWEVQEDCUNML-RVKKMQEKSA-N 1 0 318.417 4.017 20 5 DIBDRO CC[C@@H]([NH2+]C[C@H](C)c1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000186581115 1043230008 /nfs/dbraw/zinc/23/00/08/1043230008.db2.gz STJKFPOILGRLEH-XHDPSFHLSA-N 1 0 319.430 4.204 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000866606835 1043233317 /nfs/dbraw/zinc/23/33/17/1043233317.db2.gz IRPYZOJRUJRSQL-ZLKJLUDKSA-N 1 0 314.307 4.143 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 ZINC000268811584 1043333662 /nfs/dbraw/zinc/33/36/62/1043333662.db2.gz OCQZHPBTRHTCLK-QWHCGFSZSA-N 1 0 312.369 4.037 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000268803131 1043333742 /nfs/dbraw/zinc/33/37/42/1043333742.db2.gz QUNVVCBXZKHHLH-UONOGXRCSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000269024779 1043353172 /nfs/dbraw/zinc/35/31/72/1043353172.db2.gz QHALGRYLHUEWTN-ZIAGYGMSSA-N 1 0 314.385 4.324 20 5 DIBDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000323221851 1043409836 /nfs/dbraw/zinc/40/98/36/1043409836.db2.gz ZKWCVYKHZMCUTC-AWEZNQCLSA-N 1 0 314.385 4.071 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000872021882 1043421619 /nfs/dbraw/zinc/42/16/19/1043421619.db2.gz FRKQMKXXNUHQKS-JTQLQIEISA-N 1 0 308.428 4.229 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000271526470 1043432193 /nfs/dbraw/zinc/43/21/93/1043432193.db2.gz PDEXOSHNONVYCM-QRTARXTBSA-N 1 0 320.433 4.148 20 5 DIBDRO CC[C@@H](CCC(F)(F)F)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872054427 1043437735 /nfs/dbraw/zinc/43/77/35/1043437735.db2.gz VZGXUVSLBRTESY-MNOVXSKESA-N 1 0 304.312 4.367 20 5 DIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1c[nH]c2ccccc12 ZINC000442889497 1043451943 /nfs/dbraw/zinc/45/19/43/1043451943.db2.gz DYVCZELOWSVPDR-UHFFFAOYSA-N 1 0 323.396 4.141 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000872086146 1043453530 /nfs/dbraw/zinc/45/35/30/1043453530.db2.gz SPAMUIFRGXKCHN-NOZJJQNGSA-N 1 0 316.373 4.013 20 5 DIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000872082502 1043454765 /nfs/dbraw/zinc/45/47/65/1043454765.db2.gz XEAAQOMAJQQONO-VHSXEESVSA-N 1 0 318.389 4.259 20 5 DIBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000521827474 1043480507 /nfs/dbraw/zinc/48/05/07/1043480507.db2.gz LHOSIELMHMWLHO-BLLLJJGKSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872276851 1043487521 /nfs/dbraw/zinc/48/75/21/1043487521.db2.gz MYVQFQVLEYIMSS-RDTXWAMCSA-N 1 0 318.417 4.079 20 5 DIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000521938738 1043510658 /nfs/dbraw/zinc/51/06/58/1043510658.db2.gz OJIJLTYPUOANIX-GOSISDBHSA-N 1 0 314.385 4.187 20 5 DIBDRO Cc1c(C[NH2+]C2CCC(OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873150446 1043518400 /nfs/dbraw/zinc/51/84/00/1043518400.db2.gz KHXOWNOATHKANL-UHFFFAOYSA-N 1 0 320.433 4.119 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000749839469 1043533714 /nfs/dbraw/zinc/53/37/14/1043533714.db2.gz CESIRSGHMAEJPS-OLZOCXBDSA-N 1 0 302.349 4.188 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000184927828 1043560649 /nfs/dbraw/zinc/56/06/49/1043560649.db2.gz OVXAJYCANSUTQV-NSHDSACASA-N 1 0 306.312 4.383 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000474067921 1043568607 /nfs/dbraw/zinc/56/86/07/1043568607.db2.gz UWGDVGKYQZHMEA-NEPJUHHUSA-N 1 0 312.360 4.459 20 5 DIBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267470468 1043578607 /nfs/dbraw/zinc/57/86/07/1043578607.db2.gz XQDJCTVAWKVYED-CHWSQXEVSA-N 1 0 300.358 4.015 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000353385973 1043603943 /nfs/dbraw/zinc/60/39/43/1043603943.db2.gz LCVXDYBXJQRXSR-MRXNPFEDSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(C)c1 ZINC000353501373 1043611634 /nfs/dbraw/zinc/61/16/34/1043611634.db2.gz HXCFOKFQQVMLED-KRWDZBQOSA-N 1 0 314.385 4.153 20 5 DIBDRO CCC[C@@H]([NH2+]Cc1ncc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000926954047 1043660784 /nfs/dbraw/zinc/66/07/84/1043660784.db2.gz HGBRDPMNCRTAJK-QGZVFWFLSA-N 1 0 313.401 4.238 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059164 1043674997 /nfs/dbraw/zinc/67/49/97/1043674997.db2.gz BWWDIHFGWXGKFT-SUMWQHHRSA-N 1 0 311.385 4.026 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059161 1043675998 /nfs/dbraw/zinc/67/59/98/1043675998.db2.gz BWWDIHFGWXGKFT-CXAGYDPISA-N 1 0 311.385 4.026 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000025360318 1043728623 /nfs/dbraw/zinc/72/86/23/1043728623.db2.gz JHAIKDQJIZFPOW-KRWDZBQOSA-N 1 0 300.333 4.071 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025360337 1043728982 /nfs/dbraw/zinc/72/89/82/1043728982.db2.gz WWZYSAVWYPMCMA-MRXNPFEDSA-N 1 0 300.333 4.071 20 5 DIBDRO CSC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237369062 1043842889 /nfs/dbraw/zinc/84/28/89/1043842889.db2.gz LUOCMONJHNVRRB-NSHDSACASA-N 1 0 322.455 4.164 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000357706075 1043978964 /nfs/dbraw/zinc/97/89/64/1043978964.db2.gz JSUINDCFWQAWEJ-QGZVFWFLSA-N 1 0 314.360 4.210 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000932177786 1044106869 /nfs/dbraw/zinc/10/68/69/1044106869.db2.gz RVFPPVVOVDPQEL-LLVKDONJSA-N 1 0 306.312 4.383 20 5 DIBDRO CSc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932177510 1044107179 /nfs/dbraw/zinc/10/71/79/1044107179.db2.gz AKPFYPUOYFQLHT-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000932556619 1044141393 /nfs/dbraw/zinc/14/13/93/1044141393.db2.gz OFWAZTYGFCXTJW-LLVKDONJSA-N 1 0 306.312 4.032 20 5 DIBDRO CC(C)[N@H+](CCCCOC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000475050567 1044157225 /nfs/dbraw/zinc/15/72/25/1044157225.db2.gz BQVMWCNILDYHAK-UHFFFAOYSA-N 1 0 322.449 4.401 20 5 DIBDRO OC[C@H]1C=C[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000129656941 1044168203 /nfs/dbraw/zinc/16/82/03/1044168203.db2.gz TXXNBNQWYCZEPZ-MAUKXSAKSA-N 1 0 303.405 4.020 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000523006067 1044296228 /nfs/dbraw/zinc/29/62/28/1044296228.db2.gz PYUMPRFOWJJFTC-CZUORRHYSA-N 1 0 314.360 4.112 20 5 DIBDRO CSc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000475280337 1044339821 /nfs/dbraw/zinc/33/98/21/1044339821.db2.gz QCJORXDAFKRIOZ-UHFFFAOYSA-N 1 0 316.426 4.257 20 5 DIBDRO Cc1ccc(C2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC001202570457 1044358647 /nfs/dbraw/zinc/35/86/47/1044358647.db2.gz MWMQLWWODYUDPC-UHFFFAOYSA-N 1 0 310.397 4.033 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1F ZINC000565218928 1044420436 /nfs/dbraw/zinc/42/04/36/1044420436.db2.gz QLRPFSCRVLOJJZ-QFYYESIMSA-N 1 0 318.323 4.211 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000186438862 1044423194 /nfs/dbraw/zinc/42/31/94/1044423194.db2.gz LKGIUDHPRYKCJY-OAHLLOKOSA-N 1 0 324.302 4.031 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)C1=CCCC1 ZINC001202684314 1044468018 /nfs/dbraw/zinc/46/80/18/1044468018.db2.gz QMDNXMSMDIALRR-UHFFFAOYSA-N 1 0 318.417 4.220 20 5 DIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001308957226 1044474567 /nfs/dbraw/zinc/47/45/67/1044474567.db2.gz RFSXQHZEYTUVRR-LBPRGKRZSA-N 1 0 314.838 4.012 20 5 DIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444669357 1044597446 /nfs/dbraw/zinc/59/74/46/1044597446.db2.gz FEKCCUMCSQINAF-OAHLLOKOSA-N 1 0 310.397 4.319 20 5 DIBDRO CCC(CC)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886106780 1044616715 /nfs/dbraw/zinc/61/67/15/1044616715.db2.gz CUGRPUVBLFNBOC-KRWDZBQOSA-N 1 0 313.401 4.257 20 5 DIBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000568424657 1044623683 /nfs/dbraw/zinc/62/36/83/1044623683.db2.gz DIMPBFLNSPWQJV-JCNLHEQBSA-N 1 0 314.360 4.078 20 5 DIBDRO Cc1nc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)sc1C ZINC000088579638 1044674324 /nfs/dbraw/zinc/67/43/24/1044674324.db2.gz LOADASIZAUSGRS-UHFFFAOYSA-N 1 0 319.430 4.079 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000089513320 1044738708 /nfs/dbraw/zinc/73/87/08/1044738708.db2.gz NVHGFAHJVCNFPD-LLVKDONJSA-N 1 0 320.389 4.307 20 5 DIBDRO CCc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000156289050 1044788275 /nfs/dbraw/zinc/78/82/75/1044788275.db2.gz BWOOOBIQCBKRHX-GFCCVEGCSA-N 1 0 304.415 4.378 20 5 DIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC000524426782 1044837707 /nfs/dbraw/zinc/83/77/07/1044837707.db2.gz DSIALUSOVYBRTD-AWEZNQCLSA-N 1 0 316.376 4.360 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc2ccccc21 ZINC000524426367 1044840082 /nfs/dbraw/zinc/84/00/82/1044840082.db2.gz SDJNZUVHIFININ-UHFFFAOYSA-N 1 0 320.392 4.423 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC000572427681 1044856420 /nfs/dbraw/zinc/85/64/20/1044856420.db2.gz YPRMAYTUVBJGAN-HOCLYGCPSA-N 1 0 316.788 4.142 20 5 DIBDRO CSC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCC1 ZINC000574245699 1044948935 /nfs/dbraw/zinc/94/89/35/1044948935.db2.gz CMYKJIRJHHUJCR-UHFFFAOYSA-N 1 0 308.447 4.091 20 5 DIBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000525122110 1044989093 /nfs/dbraw/zinc/98/90/93/1044989093.db2.gz UEXNWLFDFYIHBA-BEFAXECRSA-N 1 0 310.397 4.220 20 5 DIBDRO CCOc1cc(C[NH2+][C@@H](CC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000411888951 1045036262 /nfs/dbraw/zinc/03/62/62/1045036262.db2.gz SQGGJSFKRIXDGY-INIZCTEOSA-N 1 0 314.385 4.234 20 5 DIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3occc32)cccc1[N+](=O)[O-] ZINC000152255722 1045078202 /nfs/dbraw/zinc/07/82/02/1045078202.db2.gz GDDWHSUJSQPCSX-DOMZBBRYSA-N 1 0 300.358 4.224 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CO2 ZINC000577347292 1045119043 /nfs/dbraw/zinc/11/90/43/1045119043.db2.gz OYNFMMMECLGLME-MSOLQXFVSA-N 1 0 324.380 4.004 20 5 DIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CO2 ZINC000577347295 1045119640 /nfs/dbraw/zinc/11/96/40/1045119640.db2.gz OYNFMMMECLGLME-ZWKOTPCHSA-N 1 0 324.380 4.004 20 5 DIBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000467859042 1045135189 /nfs/dbraw/zinc/13/51/89/1045135189.db2.gz OFXOWISLWIBCLN-STQMWFEESA-N 1 0 304.415 4.186 20 5 DIBDRO CCO[C@H](CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447530973 1045137905 /nfs/dbraw/zinc/13/79/05/1045137905.db2.gz NVNYFIFFJZFOSE-ZWKOTPCHSA-N 1 0 320.433 4.013 20 5 DIBDRO Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000600790433 1045139035 /nfs/dbraw/zinc/13/90/35/1045139035.db2.gz RHHYVALDIBRBTG-INIZCTEOSA-N 1 0 300.333 4.134 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000447594169 1045155359 /nfs/dbraw/zinc/15/53/59/1045155359.db2.gz XINLSCRSVJEVEQ-QGZVFWFLSA-N 1 0 314.429 4.228 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579376538 1045310618 /nfs/dbraw/zinc/31/06/18/1045310618.db2.gz VKDOWQCSGQHYSA-ZWNOBZJWSA-N 1 0 316.323 4.293 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579610682 1045325589 /nfs/dbraw/zinc/32/55/89/1045325589.db2.gz BAPBMSXWHXNDGR-QHLBDZCJSA-N 1 0 308.381 4.105 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000449303560 1045373297 /nfs/dbraw/zinc/37/32/97/1045373297.db2.gz YMRALMBUFNQXNP-WBAXXEDZSA-N 1 0 310.397 4.062 20 5 DIBDRO CCCOc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449348295 1045378896 /nfs/dbraw/zinc/37/88/96/1045378896.db2.gz LQOPPLRCPSKOLO-AWEZNQCLSA-N 1 0 314.385 4.234 20 5 DIBDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449348342 1045379252 /nfs/dbraw/zinc/37/92/52/1045379252.db2.gz MDQKVLWEOLWYFL-LBPRGKRZSA-N 1 0 304.777 4.407 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000449351463 1045380241 /nfs/dbraw/zinc/38/02/41/1045380241.db2.gz PQNLOVQNTZPUKY-MRXNPFEDSA-N 1 0 318.323 4.040 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000449460896 1045395336 /nfs/dbraw/zinc/39/53/36/1045395336.db2.gz OFDHISKPZXRSPH-DGCLKSJQSA-N 1 0 316.323 4.066 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000796620089 1045547760 /nfs/dbraw/zinc/54/77/60/1045547760.db2.gz OVSWPPPGVAUIMP-SCLBCKFNSA-N 1 0 314.360 4.317 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000441436754 1045549378 /nfs/dbraw/zinc/54/93/78/1045549378.db2.gz HTLBUSCIQAJVGR-WMLDXEAASA-N 1 0 318.417 4.147 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](c2ncccc2C)C(C)C)cc1[N+](=O)[O-] ZINC000115622137 1045572687 /nfs/dbraw/zinc/57/26/87/1045572687.db2.gz YPRHHTYSRNORCM-QGZVFWFLSA-N 1 0 313.401 4.094 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000800294173 1045605514 /nfs/dbraw/zinc/60/55/14/1045605514.db2.gz ZJGDYDWSAQVKNM-UHFFFAOYSA-N 1 0 318.751 4.163 20 5 DIBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCCCC1 ZINC000751470962 1045606787 /nfs/dbraw/zinc/60/67/87/1045606787.db2.gz JCKXFONVODWFRD-UHFFFAOYSA-N 1 0 317.389 4.281 20 5 DIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000751500022 1045607761 /nfs/dbraw/zinc/60/77/61/1045607761.db2.gz NGZZCUHUSWXKAX-CXAGYDPISA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000751500023 1045607959 /nfs/dbraw/zinc/60/79/59/1045607959.db2.gz NGZZCUHUSWXKAX-DYVFJYSZSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190962056 1045636005 /nfs/dbraw/zinc/63/60/05/1045636005.db2.gz SSCGJAYFDOHTEX-MDNJVIESSA-N 1 0 323.396 4.086 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000752092427 1045657877 /nfs/dbraw/zinc/65/78/77/1045657877.db2.gz KKDBADMHTKCPBC-UHFFFAOYSA-N 1 0 314.360 4.114 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CCC(F)(F)C3)C2)cc1 ZINC000451543414 1045694917 /nfs/dbraw/zinc/69/49/17/1045694917.db2.gz BJOXQISTYIVXFQ-ZFWWWQNUSA-N 1 0 324.371 4.210 20 5 DIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCC(F)(F)C3)C2)cc1 ZINC000451543411 1045695018 /nfs/dbraw/zinc/69/50/18/1045695018.db2.gz BJOXQISTYIVXFQ-DZGCQCFKSA-N 1 0 324.371 4.210 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517293 1045728008 /nfs/dbraw/zinc/72/80/08/1045728008.db2.gz LZBNLSIIUCXQDH-XJKSGUPXSA-N 1 0 314.360 4.112 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517292 1045729187 /nfs/dbraw/zinc/72/91/87/1045729187.db2.gz LZBNLSIIUCXQDH-CZUORRHYSA-N 1 0 314.360 4.112 20 5 DIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801528996 1045730135 /nfs/dbraw/zinc/73/01/35/1045730135.db2.gz YDEKUCIUNQAANW-INIZCTEOSA-N 1 0 302.349 4.365 20 5 DIBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801522050 1045730579 /nfs/dbraw/zinc/73/05/79/1045730579.db2.gz XZRDHSVIBFGBQR-CZUORRHYSA-N 1 0 314.360 4.112 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801530075 1045732067 /nfs/dbraw/zinc/73/20/67/1045732067.db2.gz VHMKAWPEQNYUHR-CYBMUJFWSA-N 1 0 302.349 4.202 20 5 DIBDRO Cc1ccc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cc1 ZINC000801539925 1045734147 /nfs/dbraw/zinc/73/41/47/1045734147.db2.gz QZJPWDJWKOKGIY-INIZCTEOSA-N 1 0 314.360 4.032 20 5 DIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)Cc1ccsc1 ZINC000801545318 1045736200 /nfs/dbraw/zinc/73/62/00/1045736200.db2.gz CKYDJROZBVRUOM-LBPRGKRZSA-N 1 0 322.405 4.249 20 5 DIBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000191659989 1045744789 /nfs/dbraw/zinc/74/47/89/1045744789.db2.gz OOHBJZRFLFXVMR-ZDUSSCGKSA-N 1 0 316.323 4.005 20 5 DIBDRO COc1c(Cl)cccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000901653140 1045787288 /nfs/dbraw/zinc/78/72/88/1045787288.db2.gz MHRHOGUTVIVOQO-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO CSCCCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000753736696 1045798112 /nfs/dbraw/zinc/79/81/12/1045798112.db2.gz BSNXIJBWQFVPAC-AWEZNQCLSA-N 1 0 310.463 4.477 20 5 DIBDRO CC[N@H+](CCc1cccs1)Cc1cccc([N+](=O)[O-])c1C ZINC000520172506 1045858209 /nfs/dbraw/zinc/85/82/09/1045858209.db2.gz LCJXAYZHYPOYFI-UHFFFAOYSA-N 1 0 304.415 4.029 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000453228748 1045994825 /nfs/dbraw/zinc/99/48/25/1045994825.db2.gz BZSQMFVLYHKDIM-SCLBCKFNSA-N 1 0 314.385 4.405 20 5 DIBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453250756 1046003570 /nfs/dbraw/zinc/00/35/70/1046003570.db2.gz YZHPRRRIZQMDRT-DEYYWGMASA-N 1 0 314.385 4.022 20 5 DIBDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000830191203 1046047709 /nfs/dbraw/zinc/04/77/09/1046047709.db2.gz XPFYZUJGEQAXMQ-LBPRGKRZSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(C2CC2)c1 ZINC000830195456 1046050090 /nfs/dbraw/zinc/05/00/90/1046050090.db2.gz ZUIDTXAKAKWYSR-LBPRGKRZSA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000756139141 1046053365 /nfs/dbraw/zinc/05/33/65/1046053365.db2.gz QXZLKEBIYPETQN-SECBINFHSA-N 1 0 324.730 4.459 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000532188383 1046110220 /nfs/dbraw/zinc/11/02/20/1046110220.db2.gz UETCMQJWKXXLLG-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)s2)cc([N+](=O)[O-])c1 ZINC000903076541 1046157619 /nfs/dbraw/zinc/15/76/19/1046157619.db2.gz RRSJKRNAMFXWKP-VXGBXAGGSA-N 1 0 320.414 4.385 20 5 DIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000903244847 1046207299 /nfs/dbraw/zinc/20/72/99/1046207299.db2.gz FJLTWJUVOTYQHZ-VXGBXAGGSA-N 1 0 319.792 4.098 20 5 DIBDRO CC(C)([NH2+]C[C@@H]1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000795222305 1046207741 /nfs/dbraw/zinc/20/77/41/1046207741.db2.gz RJHPEFJURBVFRF-HNNXBMFYSA-N 1 0 310.397 4.150 20 5 DIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000903286623 1046223757 /nfs/dbraw/zinc/22/37/57/1046223757.db2.gz DDYIXTLUVNSQPO-KGLIPLIRSA-N 1 0 314.385 4.324 20 5 DIBDRO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000903286579 1046224432 /nfs/dbraw/zinc/22/44/32/1046224432.db2.gz BKNIHLBVTDCHAD-MNOVXSKESA-N 1 0 319.430 4.334 20 5 DIBDRO CC[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903338765 1046250835 /nfs/dbraw/zinc/25/08/35/1046250835.db2.gz JDIHARPYOGNLTI-AEFFLSMTSA-N 1 0 311.385 4.182 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903341014 1046252334 /nfs/dbraw/zinc/25/23/34/1046252334.db2.gz UTACHPMGHUXTNV-UGSOOPFHSA-N 1 0 311.385 4.100 20 5 DIBDRO COc1ccc(C[N@H+](C)C2CCCCCCC2)cc1[N+](=O)[O-] ZINC000748805678 1046404362 /nfs/dbraw/zinc/40/43/62/1046404362.db2.gz PBDVDWOTZSTDLR-UHFFFAOYSA-N 1 0 306.406 4.148 20 5 DIBDRO CO[C@H]1CC=C(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)CC1 ZINC001212882126 1046436933 /nfs/dbraw/zinc/43/69/33/1046436933.db2.gz UFMZTTKHECXBMQ-SFHVURJKSA-N 1 0 319.408 4.465 20 5 DIBDRO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464013 1046437988 /nfs/dbraw/zinc/43/79/88/1046437988.db2.gz JDYBDKJOBWJYKD-VXGBXAGGSA-N 1 0 318.339 4.409 20 5 DIBDRO Cc1c(C[NH2+]Cc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000237810548 1046520087 /nfs/dbraw/zinc/52/00/87/1046520087.db2.gz RFKBVUFNWGMMLD-UHFFFAOYSA-N 1 0 306.365 4.346 20 5 DIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782656084 1046539837 /nfs/dbraw/zinc/53/98/37/1046539837.db2.gz PGEZYOYVVPIYOE-LLVKDONJSA-N 1 0 324.730 4.315 20 5 DIBDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000783636056 1046616565 /nfs/dbraw/zinc/61/65/65/1046616565.db2.gz LADIURUQFZDKRB-JTQLQIEISA-N 1 0 324.833 4.339 20 5 DIBDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000093632880 1046634687 /nfs/dbraw/zinc/63/46/87/1046634687.db2.gz JYWUETQUYBFIIZ-HNNXBMFYSA-N 1 0 304.777 4.489 20 5 DIBDRO CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000533178821 1046664753 /nfs/dbraw/zinc/66/47/53/1046664753.db2.gz HGZRHNHUBAYFDB-UHFFFAOYSA-N 1 0 302.399 4.356 20 5 DIBDRO C[N@H+](Cc1ccncn1)Cc1c2ccccc2cc2ccccc21 ZINC001140348375 1046669785 /nfs/dbraw/zinc/66/97/85/1046669785.db2.gz TYHCWEYUEQCFOD-UHFFFAOYSA-N 1 0 313.404 4.415 20 5 DIBDRO C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000834890482 1046702220 /nfs/dbraw/zinc/70/22/20/1046702220.db2.gz CGVGGSYGYSQRHF-GXFFZTMASA-N 1 0 317.216 4.219 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000797602330 1046866225 /nfs/dbraw/zinc/86/62/25/1046866225.db2.gz KCGDNUFEBHVNMO-LBPRGKRZSA-N 1 0 319.792 4.111 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cccc1[N+](=O)[O-] ZINC000303580845 1046931738 /nfs/dbraw/zinc/93/17/38/1046931738.db2.gz OVPMIAJTCKLNCQ-SFHVURJKSA-N 1 0 300.402 4.226 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000303695644 1046947865 /nfs/dbraw/zinc/94/78/65/1046947865.db2.gz AELFKVIOCPRNFY-QGZVFWFLSA-N 1 0 314.385 4.348 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000798503305 1046959261 /nfs/dbraw/zinc/95/92/61/1046959261.db2.gz HROPYCFRUXHQML-UHFFFAOYSA-N 1 0 316.788 4.284 20 5 DIBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000799983173 1047079244 /nfs/dbraw/zinc/07/92/44/1047079244.db2.gz WOAQZRVRCGVMTL-BDJLRTHQSA-N 1 0 316.788 4.066 20 5 DIBDRO Cc1ccsc1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537016592 1047128723 /nfs/dbraw/zinc/12/87/23/1047128723.db2.gz PNMLHCLDJUFUQA-CYBMUJFWSA-N 1 0 304.415 4.166 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000537113657 1047139964 /nfs/dbraw/zinc/13/99/64/1047139964.db2.gz BREDPBMQUUIVNF-UHFFFAOYSA-N 1 0 316.788 4.070 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000537400895 1047179354 /nfs/dbraw/zinc/17/93/54/1047179354.db2.gz IUHKOHWNDCVXRX-OCCSQVGLSA-N 1 0 318.442 4.494 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000163503805 1047234619 /nfs/dbraw/zinc/23/46/19/1047234619.db2.gz RTOVSCPIHMZEHH-KPZWWZAWSA-N 1 0 314.360 4.380 20 5 DIBDRO OC[C@@H]1C[C@H](F)C[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141723410 1047277836 /nfs/dbraw/zinc/27/78/36/1047277836.db2.gz WRERMFLWEXBOFA-QAPCUYQASA-N 1 0 323.411 4.145 20 5 DIBDRO C[C@]1(CO)CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141722993 1047279063 /nfs/dbraw/zinc/27/90/63/1047279063.db2.gz NHOCDKBPLHPWQB-NRFANRHFSA-N 1 0 305.421 4.197 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000725804133 1047316231 /nfs/dbraw/zinc/31/62/31/1047316231.db2.gz IXEGMGZYTSAKRD-AWEZNQCLSA-N 1 0 314.360 4.032 20 5 DIBDRO CSc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000385806498 1047316736 /nfs/dbraw/zinc/31/67/36/1047316736.db2.gz RAGXAXMTLACSLV-ZDUSSCGKSA-N 1 0 316.426 4.210 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCCC2)s1 ZINC000237953872 1047506887 /nfs/dbraw/zinc/50/68/87/1047506887.db2.gz BCYMRBKCTYXZKI-UHFFFAOYSA-N 1 0 302.399 4.356 20 5 DIBDRO C[N@H+](CCC1CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537692972 1047576300 /nfs/dbraw/zinc/57/63/00/1047576300.db2.gz OCIZJNKMFOOONB-UHFFFAOYSA-N 1 0 300.358 4.087 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000477341978 1047614618 /nfs/dbraw/zinc/61/46/18/1047614618.db2.gz ZUBCDQILTBDZLU-NSHDSACASA-N 1 0 322.767 4.281 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192785903 1047628036 /nfs/dbraw/zinc/62/80/36/1047628036.db2.gz VMFDXCAFCVHBJH-UGSOOPFHSA-N 1 0 314.385 4.405 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192785926 1047628434 /nfs/dbraw/zinc/62/84/34/1047628434.db2.gz VMFDXCAFCVHBJH-ACJLOTCBSA-N 1 0 314.385 4.405 20 5 DIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000537950823 1047645454 /nfs/dbraw/zinc/64/54/54/1047645454.db2.gz NWJGEOGBBDGGCK-CYBMUJFWSA-N 1 0 310.353 4.234 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)C ZINC000538019459 1047654213 /nfs/dbraw/zinc/65/42/13/1047654213.db2.gz RXBMBJAKNPPOIO-HDMKZQKVSA-N 1 0 320.433 4.005 20 5 DIBDRO CCC[C@H](CC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000538393335 1047674462 /nfs/dbraw/zinc/67/44/62/1047674462.db2.gz YEDPHYAEQDFFCA-ZDUSSCGKSA-N 1 0 319.430 4.387 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(c2ccccc2F)CC1 ZINC000538418163 1047675038 /nfs/dbraw/zinc/67/50/38/1047675038.db2.gz AZBJLYUWCHWNHE-ALCCZGGFSA-N 1 0 312.344 4.026 20 5 DIBDRO Cn1cncc1C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001204387221 1047802347 /nfs/dbraw/zinc/80/23/47/1047802347.db2.gz JKIZMAUHEUHIBU-UHFFFAOYSA-N 1 0 315.420 4.359 20 5 DIBDRO Cc1n[nH]cc1Nc1cc2[nH+]c3cc(N)c(C)cc3cc2cc1C ZINC001174475499 1047849555 /nfs/dbraw/zinc/84/95/55/1047849555.db2.gz GCUMMTLALPPYAP-UHFFFAOYSA-N 1 0 317.396 4.362 20 5 DIBDRO CC(C)(C[NH3+])c1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001159581701 1047871762 /nfs/dbraw/zinc/87/17/62/1047871762.db2.gz NONMFDQQLFUKPZ-UHFFFAOYSA-N 1 0 319.792 4.228 20 5 DIBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC001197759242 1047872904 /nfs/dbraw/zinc/87/29/04/1047872904.db2.gz PHRMFRQBEFQSCP-QGZVFWFLSA-N 1 0 316.376 4.091 20 5 DIBDRO Cc1ccc(Nc2cccc(C3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC001159764467 1047917904 /nfs/dbraw/zinc/91/79/04/1047917904.db2.gz MUCUSZDAXSGTRS-UHFFFAOYSA-N 1 0 311.385 4.114 20 5 DIBDRO Nc1ccc2ccc3c(NC4=CC[NH2+]CC4)ccc4ccc1c2c43 ZINC001159970621 1047960086 /nfs/dbraw/zinc/96/00/86/1047960086.db2.gz LYZFNDJGNPRLKP-UHFFFAOYSA-N 1 0 313.404 4.455 20 5 DIBDRO C[C@@H](C[NH2+]C[C@H]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC001184045398 1047996122 /nfs/dbraw/zinc/99/61/22/1047996122.db2.gz MDKOVBITASKKRH-HOTGVXAUSA-N 1 0 324.424 4.093 20 5 DIBDRO Cc1cc2cc3cc(C)c(Nc4cc[nH]n4)cc3[nH+]c2cc1N ZINC001160223782 1048003341 /nfs/dbraw/zinc/00/33/41/1048003341.db2.gz ZDJVFKHQADSIQF-UHFFFAOYSA-N 1 0 303.369 4.054 20 5 DIBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000554308898 1048062523 /nfs/dbraw/zinc/06/25/23/1048062523.db2.gz ISVDXWYVZFSBPW-KRWDZBQOSA-N 1 0 314.385 4.187 20 5 DIBDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001199582502 1048075970 /nfs/dbraw/zinc/07/59/70/1048075970.db2.gz NSXNBFQPNQXVJX-UHFFFAOYSA-N 1 0 314.385 4.062 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)c3ccccc23)cc1 ZINC001199582149 1048077238 /nfs/dbraw/zinc/07/72/38/1048077238.db2.gz KVYCEHIGSPMDPD-UHFFFAOYSA-N 1 0 310.328 4.177 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000776017107 1048090949 /nfs/dbraw/zinc/09/09/49/1048090949.db2.gz RYBIYEOASYWYLY-QGZVFWFLSA-N 1 0 316.788 4.489 20 5 DIBDRO Cc1cc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001184865710 1048099120 /nfs/dbraw/zinc/09/91/20/1048099120.db2.gz SWVUSDMEMXSTCH-GASCZTMLSA-N 1 0 319.449 4.073 20 5 DIBDRO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC001175052527 1048112521 /nfs/dbraw/zinc/11/25/21/1048112521.db2.gz GXNFIRMPJFWMIV-QTLSWZBMSA-N 1 0 318.417 4.172 20 5 DIBDRO C[NH+](C)CCCCNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001161730813 1048162391 /nfs/dbraw/zinc/16/23/91/1048162391.db2.gz QXWKGJPDVLJCIZ-UHFFFAOYSA-N 1 0 313.401 4.016 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001175240381 1048212823 /nfs/dbraw/zinc/21/28/23/1048212823.db2.gz YZOWOOHPQFNVNZ-GOSISDBHSA-N 1 0 316.376 4.457 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1NCCCCCCC[NH+]1CCCC1 ZINC001162278191 1048256526 /nfs/dbraw/zinc/25/65/26/1048256526.db2.gz SKYGBUWWJPABMS-UHFFFAOYSA-N 1 0 323.412 4.192 20 5 DIBDRO CC(C)[PH+](CCNc1cc([N+](=O)[O-])c2cc[nH]c2n1)C(C)C ZINC001162361994 1048269883 /nfs/dbraw/zinc/26/98/83/1048269883.db2.gz PBAHTJZGLNEQJK-UHFFFAOYSA-N 1 0 322.349 4.182 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000192844921 1048346061 /nfs/dbraw/zinc/34/60/61/1048346061.db2.gz OSPSGORPNGNPKG-CHWSQXEVSA-N 1 0 300.358 4.021 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001187062518 1048369046 /nfs/dbraw/zinc/36/90/46/1048369046.db2.gz CVEWFGSGUFERDK-CQSZACIVSA-N 1 0 323.824 4.067 20 5 DIBDRO CC[C@@H](CSC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001201769544 1048371383 /nfs/dbraw/zinc/37/13/83/1048371383.db2.gz ISXTXHBPGXUQKM-ZDUSSCGKSA-N 1 0 320.414 4.086 20 5 DIBDRO CC(C)CSCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001201857882 1048382157 /nfs/dbraw/zinc/38/21/57/1048382157.db2.gz UPTJATCPOXICNP-UHFFFAOYSA-N 1 0 310.463 4.197 20 5 DIBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc([N+](=O)[O-])cc3cc[nH]c32)c1 ZINC001162909741 1048386685 /nfs/dbraw/zinc/38/66/85/1048386685.db2.gz NOAXFEUYAOJLDZ-LLVKDONJSA-N 1 0 320.352 4.040 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc[nH]1 ZINC001201842968 1048386846 /nfs/dbraw/zinc/38/68/46/1048386846.db2.gz UWPWECWNRPXUPW-LBPRGKRZSA-N 1 0 311.341 4.034 20 5 DIBDRO Cc1cc([N+](=O)[O-])cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1F ZINC001162909163 1048387230 /nfs/dbraw/zinc/38/72/30/1048387230.db2.gz VKLHKLYRUWPRMU-NSHDSACASA-N 1 0 313.332 4.006 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000481837736 1048500539 /nfs/dbraw/zinc/50/05/39/1048500539.db2.gz PVFBARGCAYPVDG-HIFRSBDPSA-N 1 0 314.360 4.160 20 5 DIBDRO Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000482490150 1048616065 /nfs/dbraw/zinc/61/60/65/1048616065.db2.gz XFQFZCNBLOBLGH-YPMHNXCESA-N 1 0 316.323 4.066 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000482486413 1048616109 /nfs/dbraw/zinc/61/61/09/1048616109.db2.gz MUHVPEOFSSJFDM-LBPRGKRZSA-N 1 0 316.426 4.038 20 5 DIBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001176356988 1048658882 /nfs/dbraw/zinc/65/88/82/1048658882.db2.gz WQRXHLMYGUAQTR-DNVCBOLYSA-N 1 0 310.397 4.363 20 5 DIBDRO CC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001190502761 1048743094 /nfs/dbraw/zinc/74/30/94/1048743094.db2.gz DGMMHADETNOQKN-LBPRGKRZSA-N 1 0 316.323 4.378 20 5 DIBDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001190502760 1048743380 /nfs/dbraw/zinc/74/33/80/1048743380.db2.gz DGMMHADETNOQKN-GFCCVEGCSA-N 1 0 316.323 4.378 20 5 DIBDRO C[C@H]([NH2+][C@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000483149724 1048746454 /nfs/dbraw/zinc/74/64/54/1048746454.db2.gz BBVLNOJYJVZNMO-NHYWBVRUSA-N 1 0 300.383 4.092 20 5 DIBDRO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000775393162 1048746847 /nfs/dbraw/zinc/74/68/47/1048746847.db2.gz FQGXYYPAIOAKCA-QGZVFWFLSA-N 1 0 302.349 4.149 20 5 DIBDRO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001191003890 1048817938 /nfs/dbraw/zinc/81/79/38/1048817938.db2.gz LCGZQIYRHOHSGH-QAPCUYQASA-N 1 0 310.397 4.281 20 5 DIBDRO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001191003889 1048818867 /nfs/dbraw/zinc/81/88/67/1048818867.db2.gz LCGZQIYRHOHSGH-MAUKXSAKSA-N 1 0 310.397 4.281 20 5 DIBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000483619886 1048828788 /nfs/dbraw/zinc/82/87/88/1048828788.db2.gz HFUAXVPQSLFUHO-ZIAGYGMSSA-N 1 0 316.426 4.426 20 5 DIBDRO CC[N@H+](CCc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167031280 1048832646 /nfs/dbraw/zinc/83/26/46/1048832646.db2.gz KEIAODYQUHKZTP-UHFFFAOYSA-N 1 0 318.804 4.313 20 5 DIBDRO C[NH2+]Cc1cccc(Nc2ccc3ccc4cccnc4c3n2)c1 ZINC001167033561 1048834501 /nfs/dbraw/zinc/83/45/01/1048834501.db2.gz XGROUNICFUXYII-UHFFFAOYSA-N 1 0 314.392 4.246 20 5 DIBDRO Cc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000483715593 1048841567 /nfs/dbraw/zinc/84/15/67/1048841567.db2.gz QTRVIYZRLKSSNY-HUUCEWRRSA-N 1 0 314.385 4.021 20 5 DIBDRO Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000483715594 1048844501 /nfs/dbraw/zinc/84/45/01/1048844501.db2.gz QTRVIYZRLKSSNY-LSDHHAIUSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc2scnc2c1)c1cccc([N+](=O)[O-])c1 ZINC001177328110 1048868954 /nfs/dbraw/zinc/86/89/54/1048868954.db2.gz HUCKTXCOZMRRFC-LLVKDONJSA-N 1 0 313.382 4.055 20 5 DIBDRO CCC[C@]1(C)CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC001191256271 1048896615 /nfs/dbraw/zinc/89/66/15/1048896615.db2.gz HAWJIRQNAZTSEO-QGZVFWFLSA-N 1 0 324.396 4.145 20 5 DIBDRO CCC[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC001191256270 1048896981 /nfs/dbraw/zinc/89/69/81/1048896981.db2.gz HAWJIRQNAZTSEO-KRWDZBQOSA-N 1 0 324.396 4.145 20 5 DIBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC001177737542 1048938431 /nfs/dbraw/zinc/93/84/31/1048938431.db2.gz QAVBSQKQTBMIKA-HNNXBMFYSA-N 1 0 304.434 4.333 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccccc1C1CC1)CC2 ZINC001191520198 1048958064 /nfs/dbraw/zinc/95/80/64/1048958064.db2.gz FEKHGKMBFLNIMK-UHFFFAOYSA-N 1 0 308.381 4.031 20 5 DIBDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001191541978 1048960107 /nfs/dbraw/zinc/96/01/07/1048960107.db2.gz WMZGMRQPHRCULC-IBGZPJMESA-N 1 0 310.397 4.350 20 5 DIBDRO CCCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)CCC1 ZINC001178180917 1048993700 /nfs/dbraw/zinc/99/37/00/1048993700.db2.gz LQPDROFRTJWBRW-UHFFFAOYSA-N 1 0 306.406 4.054 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C(C)C)C1CCCCC1 ZINC001191870786 1049013155 /nfs/dbraw/zinc/01/31/55/1049013155.db2.gz LAMLNHOFSOSMMS-UHFFFAOYSA-N 1 0 306.406 4.147 20 5 DIBDRO CSc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001203864637 1049019438 /nfs/dbraw/zinc/01/94/38/1049019438.db2.gz NOIIFYZMSQZBMA-ZDUSSCGKSA-N 1 0 316.426 4.210 20 5 DIBDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000036994275 1049045474 /nfs/dbraw/zinc/04/54/74/1049045474.db2.gz PUQZSFLLZBKCFX-GFCCVEGCSA-N 1 0 302.399 4.168 20 5 DIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001192214465 1049062806 /nfs/dbraw/zinc/06/28/06/1049062806.db2.gz PSFZKOUBTMZOSB-CQSZACIVSA-N 1 0 321.377 4.048 20 5 DIBDRO CC(C)([NH3+])c1ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000904475113 1049075851 /nfs/dbraw/zinc/07/58/51/1049075851.db2.gz IMQNZTPKIOXYJH-UHFFFAOYSA-N 1 0 319.792 4.054 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC001178748539 1049080519 /nfs/dbraw/zinc/08/05/19/1049080519.db2.gz USJJPCVDDUFZAG-ZDUSSCGKSA-N 1 0 312.360 4.243 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC001178748536 1049080625 /nfs/dbraw/zinc/08/06/25/1049080625.db2.gz USJJPCVDDUFZAG-CYBMUJFWSA-N 1 0 312.360 4.243 20 5 DIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001192605055 1049121630 /nfs/dbraw/zinc/12/16/30/1049121630.db2.gz QSAFXFLVGMJKLU-STQMWFEESA-N 1 0 302.349 4.016 20 5 DIBDRO CC[C@H]([NH2+]CC[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC001192803958 1049139158 /nfs/dbraw/zinc/13/91/58/1049139158.db2.gz XQUZKARPTRCCLN-HIFRSBDPSA-N 1 0 312.360 4.461 20 5 DIBDRO CC[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC001192803959 1049140030 /nfs/dbraw/zinc/14/00/30/1049140030.db2.gz XQUZKARPTRCCLN-ZFWWWQNUSA-N 1 0 312.360 4.461 20 5 DIBDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001192859697 1049145605 /nfs/dbraw/zinc/14/56/05/1049145605.db2.gz TWZCDNBJRDJDPF-UHFFFAOYSA-N 1 0 322.767 4.062 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)s1 ZINC001179266265 1049149704 /nfs/dbraw/zinc/14/97/04/1049149704.db2.gz KSAQMUGNBSFUPL-LAQFHYBYSA-N 1 0 314.410 4.211 20 5 DIBDRO C[NH+]1CCC(c2ccc(Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001204455355 1049167014 /nfs/dbraw/zinc/16/70/14/1049167014.db2.gz AODLCOYDAGCHAO-UHFFFAOYSA-N 1 0 311.385 4.148 20 5 DIBDRO C[C@@H]([NH2+]C/C=C/c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC001179512094 1049177883 /nfs/dbraw/zinc/17/78/83/1049177883.db2.gz NGXFMMSHYKVCOA-VUDGCMKMSA-N 1 0 300.333 4.098 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc2scnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001179579147 1049181131 /nfs/dbraw/zinc/18/11/31/1049181131.db2.gz KVAQLCODDGKHAI-NSHDSACASA-N 1 0 313.382 4.055 20 5 DIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@]23C[C@H]2CCC3)s1 ZINC001179659438 1049189123 /nfs/dbraw/zinc/18/91/23/1049189123.db2.gz XOGZIKDDBPUEJT-SJKOYZFVSA-N 1 0 314.410 4.356 20 5 DIBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001179771632 1049201245 /nfs/dbraw/zinc/20/12/45/1049201245.db2.gz JKJFITMSNPKCGO-CZUORRHYSA-N 1 0 312.369 4.299 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC001204681212 1049221321 /nfs/dbraw/zinc/22/13/21/1049221321.db2.gz ITYWLQUBJOKAGV-CRPZLVSXSA-N 1 0 320.458 4.072 20 5 DIBDRO Clc1c2ccccc2c(C[NH2+]CC2COC2)c2ccccc12 ZINC000858300870 1049237837 /nfs/dbraw/zinc/23/78/37/1049237837.db2.gz NPQALLCKZUBVAN-UHFFFAOYSA-N 1 0 311.812 4.382 20 5 DIBDRO C[NH2+]CCN(C)Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001204720871 1049239950 /nfs/dbraw/zinc/23/99/50/1049239950.db2.gz XGXQCKJTRRMGQI-UHFFFAOYSA-N 1 0 318.420 4.342 20 5 DIBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(CC)CC ZINC001193661447 1049243477 /nfs/dbraw/zinc/24/34/77/1049243477.db2.gz HPUSQBBXEGNARA-KBRIMQKVSA-N 1 0 320.433 4.229 20 5 DIBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(CC)CC ZINC001193661446 1049243630 /nfs/dbraw/zinc/24/36/30/1049243630.db2.gz HPUSQBBXEGNARA-IAOVAPTHSA-N 1 0 320.433 4.229 20 5 DIBDRO CC(C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000116277272 1049289674 /nfs/dbraw/zinc/28/96/74/1049289674.db2.gz LYKBCHLTCABIRU-UHFFFAOYSA-N 1 0 322.767 4.412 20 5 DIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485696554 1049320296 /nfs/dbraw/zinc/32/02/96/1049320296.db2.gz AAGVBXXVWQICFR-NSHDSACASA-N 1 0 313.382 4.055 20 5 DIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001194152905 1049328304 /nfs/dbraw/zinc/32/83/04/1049328304.db2.gz JMNNKDYBAVOUFQ-DYVFJYSZSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccsc1C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000485738917 1049330954 /nfs/dbraw/zinc/33/09/54/1049330954.db2.gz PSPBKJZJQRIMRZ-CYBMUJFWSA-N 1 0 304.415 4.466 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001180297003 1049338702 /nfs/dbraw/zinc/33/87/02/1049338702.db2.gz OHZKCTSEDGQLBK-OSAQELSMSA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485831257 1049347596 /nfs/dbraw/zinc/34/75/96/1049347596.db2.gz GMVNWXSRPZCZLQ-NSHDSACASA-N 1 0 313.382 4.055 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCc2ccccc2CC1 ZINC001194392724 1049369361 /nfs/dbraw/zinc/36/93/61/1049369361.db2.gz BYMYHUPFDWYQNK-HNNXBMFYSA-N 1 0 310.397 4.147 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC001194953078 1049454723 /nfs/dbraw/zinc/45/47/23/1049454723.db2.gz IHRLCAUDZJQFBJ-KBXCAEBGSA-N 1 0 320.433 4.440 20 5 DIBDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181267155 1049458063 /nfs/dbraw/zinc/45/80/63/1049458063.db2.gz OEUCSMUQFZNCFQ-OLZOCXBDSA-N 1 0 318.421 4.022 20 5 DIBDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001181267154 1049458502 /nfs/dbraw/zinc/45/85/02/1049458502.db2.gz OEUCSMUQFZNCFQ-CHWSQXEVSA-N 1 0 318.421 4.022 20 5 DIBDRO C[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000486717816 1049458678 /nfs/dbraw/zinc/45/86/78/1049458678.db2.gz AYTKFKBZAFSOHL-NSHDSACASA-N 1 0 313.332 4.066 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001205402628 1049462236 /nfs/dbraw/zinc/46/22/36/1049462236.db2.gz JJUJKXKNUDBKGM-ZWKOTPCHSA-N 1 0 310.397 4.329 20 5 DIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001195028153 1049463178 /nfs/dbraw/zinc/46/31/78/1049463178.db2.gz DPPUQQXZKBGHFR-WLTAIBSBSA-N 1 0 315.200 4.180 20 5 DIBDRO Cc1cc(C)cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001181444733 1049477215 /nfs/dbraw/zinc/47/72/15/1049477215.db2.gz FMQMLVMAAWSZDS-UHFFFAOYSA-N 1 0 318.804 4.497 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001181457696 1049479263 /nfs/dbraw/zinc/47/92/63/1049479263.db2.gz QRRDSOZYRTYAAM-RBUKOAKNSA-N 1 0 324.424 4.453 20 5 DIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)cs1 ZINC000486903494 1049490993 /nfs/dbraw/zinc/49/09/93/1049490993.db2.gz JWFDOPCIHSVZMC-JKSUJKDBSA-N 1 0 316.426 4.472 20 5 DIBDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001205633065 1049515761 /nfs/dbraw/zinc/51/57/61/1049515761.db2.gz IGLMRZGCTQKODT-UWVGGRQHSA-N 1 0 317.216 4.427 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001195428429 1049532845 /nfs/dbraw/zinc/53/28/45/1049532845.db2.gz XARPSQJWWBKGKG-NVXWUHKLSA-N 1 0 302.418 4.243 20 5 DIBDRO CCC(CC)[N@H+](CCOC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001204314075 1049553826 /nfs/dbraw/zinc/55/38/26/1049553826.db2.gz NGIHPJNISMNQHQ-NTCAYCPXSA-N 1 0 320.433 4.135 20 5 DIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001195885475 1049585799 /nfs/dbraw/zinc/58/57/99/1049585799.db2.gz XSGIPQGZSXVPDY-AWEZNQCLSA-N 1 0 306.381 4.136 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC2CCC1CC2 ZINC001205943059 1049608324 /nfs/dbraw/zinc/60/83/24/1049608324.db2.gz NRPNTHFMQJNIOT-PBMMVSLJSA-N 1 0 302.418 4.084 20 5 DIBDRO Cc1cccc(F)c1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774212159 1049625523 /nfs/dbraw/zinc/62/55/23/1049625523.db2.gz JAIKPBZGFBSMSF-GOSISDBHSA-N 1 0 314.360 4.210 20 5 DIBDRO C[NH2+]C(C)(C)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001206010549 1049627289 /nfs/dbraw/zinc/62/72/89/1049627289.db2.gz NENMTMCDCLLMOD-UHFFFAOYSA-N 1 0 317.392 4.498 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C(C)(C)C)C1 ZINC001206013789 1049628906 /nfs/dbraw/zinc/62/89/06/1049628906.db2.gz AJIGFYRZDTZRTK-IUDNXUCKSA-N 1 0 304.434 4.330 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)C1CC1 ZINC001206032260 1049634380 /nfs/dbraw/zinc/63/43/80/1049634380.db2.gz RIGCDHGECCGJIG-AWEZNQCLSA-N 1 0 304.434 4.332 20 5 DIBDRO Cc1cccc(C)c1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774258745 1049637885 /nfs/dbraw/zinc/63/78/85/1049637885.db2.gz SYTVLIWMPDMGJS-IBGZPJMESA-N 1 0 310.397 4.379 20 5 DIBDRO C[C@@H]1CN(Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1[NH3+] ZINC001206053080 1049641247 /nfs/dbraw/zinc/64/12/47/1049641247.db2.gz IFVRLKOACXPORI-JLTOFOAXSA-N 1 0 314.432 4.363 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000175062165 1049646314 /nfs/dbraw/zinc/64/63/14/1049646314.db2.gz RIMNFUNFYVFPKI-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488495470 1049661707 /nfs/dbraw/zinc/66/17/07/1049661707.db2.gz QEKOTIRHQSLVML-AWEZNQCLSA-N 1 0 314.385 4.187 20 5 DIBDRO C/C=C\C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001196605577 1049674989 /nfs/dbraw/zinc/67/49/89/1049674989.db2.gz NJCUSZACBXIUND-XQJDBVBESA-N 1 0 308.809 4.426 20 5 DIBDRO Cn1nccc1C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001206355216 1049718978 /nfs/dbraw/zinc/71/89/78/1049718978.db2.gz MTKCGIUZJFZADV-UHFFFAOYSA-N 1 0 315.420 4.359 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000489141075 1049729384 /nfs/dbraw/zinc/72/93/84/1049729384.db2.gz RPERMJKSSPEXBF-ZDUSSCGKSA-N 1 0 304.415 4.466 20 5 DIBDRO COc1ccc(C[N@@H+]2CC[C@@]2(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC001197241085 1049732157 /nfs/dbraw/zinc/73/21/57/1049732157.db2.gz YNZFPQYLUABSGZ-SFHVURJKSA-N 1 0 318.417 4.148 20 5 DIBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001197240117 1049732316 /nfs/dbraw/zinc/73/23/16/1049732316.db2.gz SWMTXUWCFGGDGY-QGZVFWFLSA-N 1 0 306.381 4.279 20 5 DIBDRO CCCCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001207535895 1049906865 /nfs/dbraw/zinc/90/68/65/1049906865.db2.gz OTDPUOZGKHAYPW-XKQJLSEDSA-N 1 0 320.433 4.229 20 5 DIBDRO C[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001207536155 1049907363 /nfs/dbraw/zinc/90/73/63/1049907363.db2.gz QIHHXSDXDZDORE-VWDMACCTSA-N 1 0 314.360 4.331 20 5 DIBDRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001207536451 1049908066 /nfs/dbraw/zinc/90/80/66/1049908066.db2.gz TVXPRLQMPBHFHE-VBNZEHGJSA-N 1 0 320.433 4.228 20 5 DIBDRO C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001207536289 1049908077 /nfs/dbraw/zinc/90/80/77/1049908077.db2.gz TVXPRLQMPBHFHE-APHBMKBZSA-N 1 0 320.433 4.228 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(C(F)F)C3)s2)cc1 ZINC000590968759 1050115922 /nfs/dbraw/zinc/11/59/22/1050115922.db2.gz INCFLUVDOIYFOF-UHFFFAOYSA-N 1 0 324.352 4.020 20 5 DIBDRO CC(C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000057846581 1050122998 /nfs/dbraw/zinc/12/29/98/1050122998.db2.gz JKOMMFNFDOLLGQ-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)CCCC2 ZINC000591348298 1050142050 /nfs/dbraw/zinc/14/20/50/1050142050.db2.gz OLJPRNKPQVFKHW-DOMZBBRYSA-N 1 0 310.344 4.140 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(F)F ZINC000592372529 1050363397 /nfs/dbraw/zinc/36/33/97/1050363397.db2.gz HIFBVYGJRQYQIU-LLVKDONJSA-N 1 0 324.327 4.236 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(F)F ZINC000592372502 1050363897 /nfs/dbraw/zinc/36/38/97/1050363897.db2.gz BUXBAXUIJCRMFO-LLVKDONJSA-N 1 0 324.327 4.236 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592372535 1050364526 /nfs/dbraw/zinc/36/45/26/1050364526.db2.gz HUZFSOLXQAJTQA-LLVKDONJSA-N 1 0 300.349 4.099 20 5 DIBDRO Cc1cc2cc3cc(C)c(Nc4ccncn4)cc3[nH+]c2cc1N ZINC001211031174 1050451792 /nfs/dbraw/zinc/45/17/92/1050451792.db2.gz PEZXIJRXMUKJBB-UHFFFAOYSA-N 1 0 315.380 4.121 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCc2sccc21 ZINC000574414471 1050455753 /nfs/dbraw/zinc/45/57/53/1050455753.db2.gz NHGUQBWDKYXEIR-GJZGRUSLSA-N 1 0 314.410 4.311 20 5 DIBDRO C[C@@H](F)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000574394328 1050457460 /nfs/dbraw/zinc/45/74/60/1050457460.db2.gz SIDSSZSETMCBPO-DYVFJYSZSA-N 1 0 302.349 4.022 20 5 DIBDRO Cc1cccc(F)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000766215603 1050460616 /nfs/dbraw/zinc/46/06/16/1050460616.db2.gz IZBVTVRUTOUEHI-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594046588 1050471322 /nfs/dbraw/zinc/47/13/22/1050471322.db2.gz WUAHEGBXBPPSLG-SNVBAGLBSA-N 1 0 316.323 4.038 20 5 DIBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583950 1050495508 /nfs/dbraw/zinc/49/55/08/1050495508.db2.gz RTHQUQPEAJGYLN-QZTJIDSGSA-N 1 0 308.381 4.168 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCc2ccccc21 ZINC000594492319 1050516060 /nfs/dbraw/zinc/51/60/60/1050516060.db2.gz NLPKPHKXGJESLJ-MSOLQXFVSA-N 1 0 308.381 4.249 20 5 DIBDRO Cc1ccccc1C1([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594506869 1050521441 /nfs/dbraw/zinc/52/14/41/1050521441.db2.gz GAIRLPVCCMPVNU-QGZVFWFLSA-N 1 0 308.381 4.169 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000594507597 1050523857 /nfs/dbraw/zinc/52/38/57/1050523857.db2.gz OCABZBYWRBJTOI-DLBZAZTESA-N 1 0 314.360 4.462 20 5 DIBDRO C[C@H]1CCCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000738227118 1050528980 /nfs/dbraw/zinc/52/89/80/1050528980.db2.gz RSSHRCAXUQLXFK-NSHDSACASA-N 1 0 321.402 4.094 20 5 DIBDRO COc1c[nH+]ccc1Nc1c(N)c2ccccc2c2ccccc21 ZINC001211264212 1050529296 /nfs/dbraw/zinc/52/92/96/1050529296.db2.gz YTDLRKHEDOOCBL-UHFFFAOYSA-N 1 0 315.376 4.144 20 5 DIBDRO CC[C@@H]([NH2+]Cc1cc(COC)cs1)c1cccc([N+](=O)[O-])c1 ZINC000594935715 1050576587 /nfs/dbraw/zinc/57/65/87/1050576587.db2.gz GZSWOIDEMFIKKF-MRXNPFEDSA-N 1 0 320.414 4.044 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000595006331 1050592297 /nfs/dbraw/zinc/59/22/97/1050592297.db2.gz IYRIIBSQGZVSAE-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000595419459 1050633239 /nfs/dbraw/zinc/63/32/39/1050633239.db2.gz YBXQEPHWXVJJQJ-ZDUSSCGKSA-N 1 0 302.349 4.202 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000788024128 1050639098 /nfs/dbraw/zinc/63/90/98/1050639098.db2.gz PJOKKUALWXIQJJ-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccc(C2([NH2+]Cc3ccc(F)cc3[N+](=O)[O-])CCC2)cc1 ZINC000595568282 1050639884 /nfs/dbraw/zinc/63/98/84/1050639884.db2.gz NLQRTQUCLLDRPT-UHFFFAOYSA-N 1 0 314.360 4.211 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000595564351 1050640164 /nfs/dbraw/zinc/64/01/64/1050640164.db2.gz ZHDKAHADBLIDDA-JTQLQIEISA-N 1 0 316.323 4.038 20 5 DIBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(F)Cl ZINC000846035252 1050653679 /nfs/dbraw/zinc/65/36/79/1050653679.db2.gz TZIMNXZQSFLHCO-STQMWFEESA-N 1 0 321.179 4.043 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]1c1ccc(F)cc1 ZINC000595706292 1050662943 /nfs/dbraw/zinc/66/29/43/1050662943.db2.gz YIVRWSBZAKLOHF-BLLLJJGKSA-N 1 0 300.333 4.242 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]1c1ccc(F)cc1 ZINC000595706293 1050663531 /nfs/dbraw/zinc/66/35/31/1050663531.db2.gz YIVRWSBZAKLOHF-LRDDRELGSA-N 1 0 300.333 4.242 20 5 DIBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788469485 1050684859 /nfs/dbraw/zinc/68/48/59/1050684859.db2.gz FTLDIJCAILCKRH-LLVKDONJSA-N 1 0 306.312 4.066 20 5 DIBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000596096482 1050686327 /nfs/dbraw/zinc/68/63/27/1050686327.db2.gz HXZYKMNOQNTCGS-LBPRGKRZSA-N 1 0 316.323 4.150 20 5 DIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788480990 1050687658 /nfs/dbraw/zinc/68/76/58/1050687658.db2.gz NIYCTYDGXHPBOZ-MRXNPFEDSA-N 1 0 316.376 4.187 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497195 1050690280 /nfs/dbraw/zinc/69/02/80/1050690280.db2.gz FXKILEBLLJWRMA-MNOVXSKESA-N 1 0 319.792 4.242 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000788498284 1050692972 /nfs/dbraw/zinc/69/29/72/1050692972.db2.gz MWBVRBNHTADUOC-GHMZBOCLSA-N 1 0 319.792 4.242 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563865 1050704103 /nfs/dbraw/zinc/70/41/03/1050704103.db2.gz OFDKNYXPGBBMSG-CYBMUJFWSA-N 1 0 321.380 4.181 20 5 DIBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788596680 1050711210 /nfs/dbraw/zinc/71/12/10/1050711210.db2.gz ZZKQMQZAPHZJFQ-UONOGXRCSA-N 1 0 313.401 4.206 20 5 DIBDRO Cc1ccc(Nc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001213667073 1050713154 /nfs/dbraw/zinc/71/31/54/1050713154.db2.gz KIUSBAPIRQBNIQ-UHFFFAOYSA-N 1 0 311.385 4.243 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000788645881 1050716935 /nfs/dbraw/zinc/71/69/35/1050716935.db2.gz ZOTCHFSWMKUKQT-DYVFJYSZSA-N 1 0 313.401 4.287 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4cc(F)ccc4N)cc3[nH+]c2c1 ZINC001214211200 1050846254 /nfs/dbraw/zinc/84/62/54/1050846254.db2.gz HVWIXIXCLQOJLR-UHFFFAOYSA-N 1 0 318.355 4.435 20 5 DIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001171299014 1050865783 /nfs/dbraw/zinc/86/57/83/1050865783.db2.gz WFRGDMOOXIISQF-SJORKVTESA-N 1 0 304.434 4.284 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C)cc1[N+](=O)[O-] ZINC000773046466 1051037717 /nfs/dbraw/zinc/03/77/17/1051037717.db2.gz LWQSFTHKPAIAFQ-QWHCGFSZSA-N 1 0 310.463 4.474 20 5 DIBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000037010566 1051105152 /nfs/dbraw/zinc/10/51/52/1051105152.db2.gz JNVXXHQPLIJZAX-INIZCTEOSA-N 1 0 304.777 4.489 20 5 DIBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001171457339 1051139509 /nfs/dbraw/zinc/13/95/09/1051139509.db2.gz KIXWKYOBCVTFKR-LSDHHAIUSA-N 1 0 320.408 4.382 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCC1(c2ccccc2)CC1 ZINC001171466291 1051141796 /nfs/dbraw/zinc/14/17/96/1051141796.db2.gz LFOOZMJOYCIRSU-UHFFFAOYSA-N 1 0 309.477 4.427 20 5 DIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2CC2CCCC2)cc1 ZINC001171631337 1051174181 /nfs/dbraw/zinc/17/41/81/1051174181.db2.gz KBSXRWXZLGUPCV-QGZVFWFLSA-N 1 0 318.417 4.018 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)c(F)c1 ZINC001171632355 1051174833 /nfs/dbraw/zinc/17/48/33/1051174833.db2.gz YRVOAVNNZRXJDZ-OAHLLOKOSA-N 1 0 306.381 4.279 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+]CCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC001170304482 1051179040 /nfs/dbraw/zinc/17/90/40/1051179040.db2.gz CHSIKJDFUBKGAG-AWEZNQCLSA-N 1 0 318.417 4.015 20 5 DIBDRO CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304967 1051179297 /nfs/dbraw/zinc/17/92/97/1051179297.db2.gz IPEBMUWRWNHSMC-KGLIPLIRSA-N 1 0 308.422 4.093 20 5 DIBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)CC2CCC2)c([N+](=O)[O-])c1 ZINC001170323853 1051186003 /nfs/dbraw/zinc/18/60/03/1051186003.db2.gz MRLRGRLZSBJYHB-ZDUSSCGKSA-N 1 0 320.433 4.093 20 5 DIBDRO CCC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC001170364287 1051190935 /nfs/dbraw/zinc/19/09/35/1051190935.db2.gz BSKLXJSJJUHACR-HNNXBMFYSA-N 1 0 312.385 4.047 20 5 DIBDRO CCCC[N@H+](CCC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170342645 1051193435 /nfs/dbraw/zinc/19/34/35/1051193435.db2.gz MNPATOZNDYEGAE-AWEZNQCLSA-N 1 0 308.422 4.047 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001171799427 1051222903 /nfs/dbraw/zinc/22/29/03/1051222903.db2.gz PIUWBEXYNBMNMK-KRWDZBQOSA-N 1 0 302.418 4.305 20 5 DIBDRO Cc1c(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001171799428 1051222960 /nfs/dbraw/zinc/22/29/60/1051222960.db2.gz PIUWBEXYNBMNMK-QGZVFWFLSA-N 1 0 302.418 4.305 20 5 DIBDRO C[C@@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C ZINC001170426832 1051254947 /nfs/dbraw/zinc/25/49/47/1051254947.db2.gz YLBZQAKUODKZBY-GOEBONIOSA-N 1 0 304.434 4.456 20 5 DIBDRO C[NH+]1CCC(c2ccc(Nc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001206165185 1051432174 /nfs/dbraw/zinc/43/21/74/1051432174.db2.gz ZBAHRLNNKHQSJS-UHFFFAOYSA-N 1 0 311.385 4.148 20 5 DIBDRO CC[N+](C)(C)Cc1ccccc1NCCCCc1ccccn1 ZINC001168795413 1051438268 /nfs/dbraw/zinc/43/82/68/1051438268.db2.gz PSOWUOIKIUMCEB-UHFFFAOYSA-N 1 0 312.481 4.113 20 5 DIBDRO CCc1ccc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001168847606 1051455868 /nfs/dbraw/zinc/45/58/68/1051455868.db2.gz DIFIDEULSBJGSU-UHFFFAOYSA-N 1 0 324.424 4.364 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001168978360 1051475200 /nfs/dbraw/zinc/47/52/00/1051475200.db2.gz RHJBAVQIVYUDDS-HBNTYKKESA-N 1 0 317.216 4.089 20 5 DIBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc2ccccc21 ZINC001168984633 1051478802 /nfs/dbraw/zinc/47/88/02/1051478802.db2.gz PGPQDIJLJPSHKE-QOKNQOGYSA-N 1 0 312.413 4.326 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC001168957830 1051479116 /nfs/dbraw/zinc/47/91/16/1051479116.db2.gz JFKPRVWUIALASK-HOJAQTOUSA-N 1 0 324.424 4.005 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc2ccccc21 ZINC001168984631 1051479397 /nfs/dbraw/zinc/47/93/97/1051479397.db2.gz PGPQDIJLJPSHKE-GMBSWORKSA-N 1 0 312.413 4.326 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2F)C1 ZINC001169000842 1051484490 /nfs/dbraw/zinc/48/44/90/1051484490.db2.gz YUUBAFPQXSOMOZ-RVKKMQEKSA-N 1 0 320.408 4.092 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2F)C1 ZINC001169000843 1051485013 /nfs/dbraw/zinc/48/50/13/1051485013.db2.gz YUUBAFPQXSOMOZ-VKJFTORMSA-N 1 0 320.408 4.092 20 5 DIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC001169011045 1051487733 /nfs/dbraw/zinc/48/77/33/1051487733.db2.gz HNTIEZDEBKFBHL-MJGOQNOKSA-N 1 0 316.445 4.267 20 5 DIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001169037463 1051494043 /nfs/dbraw/zinc/49/40/43/1051494043.db2.gz RXKYOKWPIDVGAB-VQTJNVASSA-N 1 0 324.424 4.134 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC13CCCCC3)CC2 ZINC001172902825 1051551461 /nfs/dbraw/zinc/55/14/61/1051551461.db2.gz CUWMWXYBJHWVJO-QGZVFWFLSA-N 1 0 314.429 4.251 20 5 DIBDRO C[C@]1(F)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902815 1051551761 /nfs/dbraw/zinc/55/17/61/1051551761.db2.gz CUEAOHCGKNLEBY-AEFFLSMTSA-N 1 0 320.408 4.056 20 5 DIBDRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901980 1051552047 /nfs/dbraw/zinc/55/20/47/1051552047.db2.gz RXYGXEUESLAOSL-RHSMWYFYSA-N 1 0 304.434 4.257 20 5 DIBDRO C[N@H+](CCc1ccccc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904704 1051552273 /nfs/dbraw/zinc/55/22/73/1051552273.db2.gz ABGYPKCDITVGPH-IBGZPJMESA-N 1 0 324.424 4.017 20 5 DIBDRO C[N@H+](C1CCCCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907636 1051554201 /nfs/dbraw/zinc/55/42/01/1051554201.db2.gz HESXOGJETFFQSW-QGZVFWFLSA-N 1 0 302.418 4.107 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccs1 ZINC001172895635 1051568123 /nfs/dbraw/zinc/56/81/23/1051568123.db2.gz GSDQIMFMBVHFGY-WFASDCNBSA-N 1 0 316.426 4.255 20 5 DIBDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172896144 1051568528 /nfs/dbraw/zinc/56/85/28/1051568528.db2.gz MERSKHBHQWMCAO-XYPHTWIQSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@@H](C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172895748 1051569302 /nfs/dbraw/zinc/56/93/02/1051569302.db2.gz IPIGYZCBEMEQNP-HNAYVOBHSA-N 1 0 324.424 4.236 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CCCC1 ZINC001172913086 1051579754 /nfs/dbraw/zinc/57/97/54/1051579754.db2.gz TWFBHHHXLGRMTK-GUYCJALGSA-N 1 0 302.418 4.011 20 5 DIBDRO C[C@H]1CCCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910700 1051580051 /nfs/dbraw/zinc/58/00/51/1051580051.db2.gz OADHMFIUHDTRNR-YOEHRIQHSA-N 1 0 302.418 4.107 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1Cl ZINC000761506867 1051582810 /nfs/dbraw/zinc/58/28/10/1051582810.db2.gz OEPMPNMWVPIIHJ-OAHLLOKOSA-N 1 0 316.788 4.238 20 5 DIBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522482 1051584753 /nfs/dbraw/zinc/58/47/53/1051584753.db2.gz ZCUODFGLUNDYPH-PIGZYNQJSA-N 1 0 316.788 4.271 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761522838 1051585500 /nfs/dbraw/zinc/58/55/00/1051585500.db2.gz LZKICZUVEISMBQ-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761519722 1051586686 /nfs/dbraw/zinc/58/66/86/1051586686.db2.gz GEGLXFORZCECAG-MRXNPFEDSA-N 1 0 316.788 4.334 20 5 DIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000761520703 1051586710 /nfs/dbraw/zinc/58/67/10/1051586710.db2.gz DRTUMPQVUPYRQI-UHFFFAOYSA-N 1 0 304.777 4.273 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001169364174 1051589553 /nfs/dbraw/zinc/58/95/53/1051589553.db2.gz CHMALBLKSJFMLJ-AEFFLSMTSA-N 1 0 310.397 4.096 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1cccs1 ZINC000761528040 1051589964 /nfs/dbraw/zinc/58/99/64/1051589964.db2.gz XSDBCAFIAPBLBG-NSHDSACASA-N 1 0 324.833 4.278 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)s1 ZINC001173215606 1051632943 /nfs/dbraw/zinc/63/29/43/1051632943.db2.gz XICVGXFESATSTG-SNVBAGLBSA-N 1 0 310.806 4.031 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccccc1)C1CC1 ZINC001173216637 1051634860 /nfs/dbraw/zinc/63/48/60/1051634860.db2.gz MIWOGYAIZDDIAQ-IFXJQAMLSA-N 1 0 310.397 4.267 20 5 DIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001173216636 1051634894 /nfs/dbraw/zinc/63/48/94/1051634894.db2.gz DQQOVQZNRXLZHR-SCLBCKFNSA-N 1 0 316.376 4.406 20 5 DIBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001173216546 1051635070 /nfs/dbraw/zinc/63/50/70/1051635070.db2.gz CROTULVPUBOFOM-UONOGXRCSA-N 1 0 316.376 4.324 20 5 DIBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001173217830 1051635089 /nfs/dbraw/zinc/63/50/89/1051635089.db2.gz MQFFYCUPIZZDAA-ZDUSSCGKSA-N 1 0 318.804 4.277 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CCCC2)C1 ZINC001173220674 1051636849 /nfs/dbraw/zinc/63/68/49/1051636849.db2.gz BTYAYCZFPBPNNN-OAHLLOKOSA-N 1 0 302.418 4.182 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001173219670 1051637360 /nfs/dbraw/zinc/63/73/60/1051637360.db2.gz PDFXYFNMYDYPBT-HOTGVXAUSA-N 1 0 312.413 4.493 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc([C@H](C)[NH3+])c2ccccc21 ZINC001173228267 1051638395 /nfs/dbraw/zinc/63/83/95/1051638395.db2.gz ILMGKBHKKXDUPF-KGLIPLIRSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001173234167 1051640499 /nfs/dbraw/zinc/64/04/99/1051640499.db2.gz PCGMTYPGZPFEOR-UAGQMJEPSA-N 1 0 302.418 4.038 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1cccc(F)c1 ZINC001173234572 1051640978 /nfs/dbraw/zinc/64/09/78/1051640978.db2.gz PNEBNHXYXNIKJY-CYBMUJFWSA-N 1 0 316.376 4.190 20 5 DIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001173235414 1051641604 /nfs/dbraw/zinc/64/16/04/1051641604.db2.gz SRTHHOQZPBIGSB-ACJLOTCBSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2o1 ZINC001173234828 1051641800 /nfs/dbraw/zinc/64/18/00/1051641800.db2.gz QFXKXINKKXMXBO-ZDUSSCGKSA-N 1 0 310.353 4.062 20 5 DIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(F)c1Cl ZINC001173233879 1051641885 /nfs/dbraw/zinc/64/18/85/1051641885.db2.gz KNNMDRMKQVLYRY-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1coc2ccccc12 ZINC001173234089 1051641983 /nfs/dbraw/zinc/64/19/83/1051641983.db2.gz MIHMVBLMUNIBEO-AWEZNQCLSA-N 1 0 324.380 4.104 20 5 DIBDRO C[C@H]([NH3+])c1ccc2c(ccn2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173209553 1051647020 /nfs/dbraw/zinc/64/70/20/1051647020.db2.gz CZWIHDTWYFJFBP-KBPBESRZSA-N 1 0 323.396 4.373 20 5 DIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cccc1Cl ZINC001173213913 1051649941 /nfs/dbraw/zinc/64/99/41/1051649941.db2.gz LXNTXHGJWHYLFN-NSHDSACASA-N 1 0 322.767 4.108 20 5 DIBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220437 1051651726 /nfs/dbraw/zinc/65/17/26/1051651726.db2.gz AHGKOUMMKXQGCV-IFXJQAMLSA-N 1 0 310.397 4.111 20 5 DIBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001169581263 1051656457 /nfs/dbraw/zinc/65/64/57/1051656457.db2.gz DDFSQYHUQSXNIO-QMTHXVAHSA-N 1 0 316.323 4.234 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c(C)cccc1[N+](=O)[O-] ZINC001169696205 1051674891 /nfs/dbraw/zinc/67/48/91/1051674891.db2.gz KORMPGGLSILAAU-HNNXBMFYSA-N 1 0 311.385 4.143 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000609194136 1051881365 /nfs/dbraw/zinc/88/13/65/1051881365.db2.gz RPIVOOFBFPFLGY-UHFFFAOYSA-N 1 0 318.417 4.002 20 5 DIBDRO Cc1nn(C)c(C)c1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001174227795 1052063584 /nfs/dbraw/zinc/06/35/84/1052063584.db2.gz JCGDRTAAEWABOP-UHFFFAOYSA-N 1 0 317.396 4.064 20 5 DIBDRO Nc1ccc2cc3ccc(Nc4cncc(F)c4)cc3[nH+]c2c1 ZINC001174292543 1052073680 /nfs/dbraw/zinc/07/36/80/1052073680.db2.gz JHCMNOJIHUYXHR-UHFFFAOYSA-N 1 0 304.328 4.248 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C3CCC3)cc2)c(F)c1 ZINC000494842065 1052147635 /nfs/dbraw/zinc/14/76/35/1052147635.db2.gz KTRYJVUAHBHPKT-UHFFFAOYSA-N 1 0 314.360 4.291 20 5 DIBDRO C[C@@H]1CC[C@H](OCc2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001217908026 1052168933 /nfs/dbraw/zinc/16/89/33/1052168933.db2.gz HXHAVNZRUYMROK-CABCVRRESA-N 1 0 306.409 4.045 20 5 DIBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001217989539 1052181583 /nfs/dbraw/zinc/18/15/83/1052181583.db2.gz MQRNCLBJGRTQBM-KUHUBIRLSA-N 1 0 321.420 4.466 20 5 DIBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218080041 1052194028 /nfs/dbraw/zinc/19/40/28/1052194028.db2.gz AYFSSSFLLJKEPT-LJQANCHMSA-N 1 0 318.420 4.299 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@@H]3CCC34CC[NH2+]CC4)c12 ZINC001218083987 1052195169 /nfs/dbraw/zinc/19/51/69/1052195169.db2.gz XBJOMYNKHIDJJZ-GOSISDBHSA-N 1 0 318.420 4.299 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@H]3CCC[C@]34CC[NH2+]C4)c12 ZINC001218095840 1052196715 /nfs/dbraw/zinc/19/67/15/1052196715.db2.gz PXGIPJDUIGWOFG-GHTZIAJQSA-N 1 0 318.420 4.299 20 5 DIBDRO c1ccc2c(c1)nc(OC1CC3(C1)CC[NH2+]CC3)c1ccccc21 ZINC001218104169 1052197414 /nfs/dbraw/zinc/19/74/14/1052197414.db2.gz WOPNQJSJIWAJTC-UHFFFAOYSA-N 1 0 318.420 4.299 20 5 DIBDRO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000495017995 1052198721 /nfs/dbraw/zinc/19/87/21/1052198721.db2.gz MMWNSFNSMUEALK-OLZOCXBDSA-N 1 0 312.360 4.461 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4C[C@H]5C[C@@H]4C[NH2+]5)c3c2n1 ZINC001218118942 1052199173 /nfs/dbraw/zinc/19/91/73/1052199173.db2.gz WOKOZMCPRLNETK-GPMSIDNRSA-N 1 0 318.420 4.134 20 5 DIBDRO c1cnc2c(c1)ccc1cccc(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c12 ZINC001218184073 1052203764 /nfs/dbraw/zinc/20/37/64/1052203764.db2.gz FLWVMFHZUJYQNT-FVQHAEBGSA-N 1 0 304.393 4.050 20 5 DIBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218317638 1052224713 /nfs/dbraw/zinc/22/47/13/1052224713.db2.gz SYZQDTVTGGAPFG-SFHVURJKSA-N 1 0 306.409 4.155 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4C[NH2+]CC[C@H]4F)c3c2n1 ZINC001218321693 1052225123 /nfs/dbraw/zinc/22/51/23/1052225123.db2.gz XCGLNKQUYBEQQE-AEFFLSMTSA-N 1 0 324.399 4.084 20 5 DIBDRO Oc1c2ccccc2c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c2ccccc12 ZINC001218458838 1052241455 /nfs/dbraw/zinc/24/14/55/1052241455.db2.gz DKOPIFBGYHHVLR-UPRAQXHNSA-N 1 0 319.404 4.075 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218465850 1052242360 /nfs/dbraw/zinc/24/23/60/1052242360.db2.gz JYVIOEOJVUSQIZ-NSISKUIASA-N 1 0 303.405 4.370 20 5 DIBDRO c1ccc2cc3cc(O[C@@H]4CC[C@H]5C[NH2+]C[C@H]54)ccc3cc2c1 ZINC001218467472 1052242565 /nfs/dbraw/zinc/24/25/65/1052242565.db2.gz PCLPEMQZISCFHO-IOMROCGXSA-N 1 0 303.405 4.370 20 5 DIBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000495401935 1052335779 /nfs/dbraw/zinc/33/57/79/1052335779.db2.gz OYAPOYPFDDWDKC-QWHCGFSZSA-N 1 0 302.349 4.016 20 5 DIBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000315793770 1052354646 /nfs/dbraw/zinc/35/46/46/1052354646.db2.gz ZKOAGVMQUJLWPE-LEWSCRJBSA-N 1 0 316.323 4.367 20 5 DIBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1c2ccccc2cc2ccccc21 ZINC001220862167 1052365780 /nfs/dbraw/zinc/36/57/80/1052365780.db2.gz RTCYPPSDDPZHHN-SFHVURJKSA-N 1 0 320.436 4.096 20 5 DIBDRO OC1CC(CC[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000762504901 1052391888 /nfs/dbraw/zinc/39/18/88/1052391888.db2.gz ZHJMBXCPTUNUEG-UHFFFAOYSA-N 1 0 305.421 4.244 20 5 DIBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000315822713 1052453179 /nfs/dbraw/zinc/45/31/79/1052453179.db2.gz XOZRBPDCGALTNY-KRWDZBQOSA-N 1 0 302.349 4.017 20 5 DIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000609222655 1052456022 /nfs/dbraw/zinc/45/60/22/1052456022.db2.gz WZTXTXGLCDNFMB-MRXNPFEDSA-N 1 0 310.397 4.148 20 5 DIBDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000193899970 1052511231 /nfs/dbraw/zinc/51/12/31/1052511231.db2.gz NPMPSEOWKVJQRW-OLZOCXBDSA-N 1 0 300.358 4.015 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(Oc2ccccc2)cc1 ZINC001223079812 1052563935 /nfs/dbraw/zinc/56/39/35/1052563935.db2.gz QLRKLHBKPFXHNA-INIZCTEOSA-N 1 0 300.422 4.090 20 5 DIBDRO Cc1c([C@@H](C)[NH2+]C2CCC(OC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000090771529 1052565518 /nfs/dbraw/zinc/56/55/18/1052565518.db2.gz KHUCDDQRYZNMPJ-QQFBHYJXSA-N 1 0 320.433 4.290 20 5 DIBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC001223430782 1052601276 /nfs/dbraw/zinc/60/12/76/1052601276.db2.gz PXLJTYXQTASMQU-KBEGMRNHSA-N 1 0 318.417 4.076 20 5 DIBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000916986380 1052675586 /nfs/dbraw/zinc/67/55/86/1052675586.db2.gz GJXPAYZPIHVUSQ-GOSISDBHSA-N 1 0 314.360 4.243 20 5 DIBDRO C[N@H+](CCCCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917063861 1052688628 /nfs/dbraw/zinc/68/86/28/1052688628.db2.gz MFNKFKJKTSKYTR-UHFFFAOYSA-N 1 0 316.376 4.189 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)OCCC(c1ccccc1)c1ccccc1 ZINC001224556536 1052706740 /nfs/dbraw/zinc/70/67/40/1052706740.db2.gz MUWSYDZPSPTPNY-SFHVURJKSA-N 1 0 312.477 4.320 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000609281057 1052804743 /nfs/dbraw/zinc/80/47/43/1052804743.db2.gz ZVIUDPRPKSRADP-QGZVFWFLSA-N 1 0 310.397 4.050 20 5 DIBDRO CC1=CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000556240203 1052825388 /nfs/dbraw/zinc/82/53/88/1052825388.db2.gz IJADWYXOCDSTBP-CYBMUJFWSA-N 1 0 314.307 4.202 20 5 DIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000498483276 1052840749 /nfs/dbraw/zinc/84/07/49/1052840749.db2.gz CVZMCGQLXQCSRK-NEPJUHHUSA-N 1 0 318.348 4.154 20 5 DIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000609288421 1052843230 /nfs/dbraw/zinc/84/32/30/1052843230.db2.gz URYQFEDOBNAMBK-JXTAAOLFSA-N 1 0 308.381 4.194 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccccc2c1Br ZINC001226084589 1052866706 /nfs/dbraw/zinc/86/67/06/1052866706.db2.gz VVVGMXRWBCENIV-GFCCVEGCSA-N 1 0 323.254 4.076 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cc(Br)ccc2c1 ZINC001226900803 1052943145 /nfs/dbraw/zinc/94/31/45/1052943145.db2.gz YVPXOJBREPQFQO-LBPRGKRZSA-N 1 0 323.254 4.076 20 5 DIBDRO Cc1cccc([N+](=O)[O-])c1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001226969238 1052949280 /nfs/dbraw/zinc/94/92/80/1052949280.db2.gz MIDLLKFQWUFSPP-AWEZNQCLSA-N 1 0 320.414 4.037 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000609541306 1052981881 /nfs/dbraw/zinc/98/18/81/1052981881.db2.gz FVFHBMSHYVWENF-HNNXBMFYSA-N 1 0 316.788 4.238 20 5 DIBDRO Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2[nH+]1 ZINC000195582103 1052982494 /nfs/dbraw/zinc/98/24/94/1052982494.db2.gz SOJLIWYPIYKWSP-UHFFFAOYSA-N 1 0 307.353 4.106 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000609672648 1052986622 /nfs/dbraw/zinc/98/66/22/1052986622.db2.gz NUUWLGIDODNSLW-DOMZBBRYSA-N 1 0 302.399 4.034 20 5 DIBDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000609709088 1052988737 /nfs/dbraw/zinc/98/87/37/1052988737.db2.gz SYFUHAGYTOCZDT-MRXNPFEDSA-N 1 0 318.804 4.359 20 5 DIBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000610010091 1053004011 /nfs/dbraw/zinc/00/40/11/1053004011.db2.gz VLTUBPFTIKWMBV-UHFFFAOYSA-N 1 0 322.449 4.139 20 5 DIBDRO CC[N@@H+]1CCC[C@H](Oc2cccc3ccc4cccnc4c32)C1 ZINC001227764125 1053014616 /nfs/dbraw/zinc/01/46/16/1053014616.db2.gz KXLXASCZCJZJIY-KRWDZBQOSA-N 1 0 306.409 4.251 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)o1 ZINC000615720035 1053028527 /nfs/dbraw/zinc/02/85/27/1053028527.db2.gz DGPNMGPDYUPWMW-XFFZJAGNSA-N 1 0 306.749 4.034 20 5 DIBDRO c1ccc2nc3c(cccc3OC3CC[NH+](C4CC4)CC3)cc2c1 ZINC001228175359 1053050110 /nfs/dbraw/zinc/05/01/10/1053050110.db2.gz DHSNZUYVHFMUIK-UHFFFAOYSA-N 1 0 318.420 4.394 20 5 DIBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3cc4ccccc4nc31)C2 ZINC001228173227 1053050355 /nfs/dbraw/zinc/05/03/55/1053050355.db2.gz JCEJPFGLSYZEOS-PIIMJCKOSA-N 1 0 318.420 4.392 20 5 DIBDRO Cc1c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000616357128 1053054428 /nfs/dbraw/zinc/05/44/28/1053054428.db2.gz JYVFJYLCFPNVNX-DJJJIMSYSA-N 1 0 310.397 4.316 20 5 DIBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001318412821 1053166538 /nfs/dbraw/zinc/16/65/38/1053166538.db2.gz GQPUEDXNQCQASH-QWRGUYRKSA-N 1 0 320.776 4.254 20 5 DIBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001318412817 1053166762 /nfs/dbraw/zinc/16/67/62/1053166762.db2.gz GQPUEDXNQCQASH-GHMZBOCLSA-N 1 0 320.776 4.254 20 5 DIBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H](CC[NH+](C)C)c1cccs1 ZINC001228915862 1053204946 /nfs/dbraw/zinc/20/49/46/1053204946.db2.gz MIKCQPCLUOKFGI-HNNXBMFYSA-N 1 0 320.414 4.037 20 5 DIBDRO C[C@@H]([NH2+]CCCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001319191833 1053226329 /nfs/dbraw/zinc/22/63/29/1053226329.db2.gz FFIMEBDSYJXNMN-OAHLLOKOSA-N 1 0 314.385 4.105 20 5 DIBDRO C[C@@H](C[N+](C)(C)C)Oc1c2ccccc2c(O)c2ccccc21 ZINC001229028048 1053228098 /nfs/dbraw/zinc/22/80/98/1053228098.db2.gz XXSQVPRJMYGSJB-AWEZNQCLSA-O 1 0 310.417 4.172 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC001351988193 1053254434 /nfs/dbraw/zinc/25/44/34/1053254434.db2.gz WQKQZSCMNBKWNW-YLBKJLTLSA-N 1 0 317.414 4.114 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1[C@@H](C)c1ccccc1 ZINC001229684941 1053383528 /nfs/dbraw/zinc/38/35/28/1053383528.db2.gz LFYDCLFRGRMPNF-CVEARBPZSA-O 1 0 314.449 4.018 20 5 DIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618988723 1053418024 /nfs/dbraw/zinc/41/80/24/1053418024.db2.gz WWNVBSZBHKRYGX-QMTHXVAHSA-N 1 0 310.344 4.095 20 5 DIBDRO CS[C@@H]1CC[C@@H]([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001321750165 1053429598 /nfs/dbraw/zinc/42/95/98/1053429598.db2.gz ZNMZZQYDCIYNPZ-NSBLKUNKSA-N 1 0 320.458 4.214 20 5 DIBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc3c4ccccc4ccc31)C2 ZINC001230203818 1053492615 /nfs/dbraw/zinc/49/26/15/1053492615.db2.gz YRAWQGVFSITIHW-FVQHAEBGSA-N 1 0 318.420 4.392 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000619611340 1053517852 /nfs/dbraw/zinc/51/78/52/1053517852.db2.gz PWIHURGIGVVJPA-CZUORRHYSA-N 1 0 311.385 4.026 20 5 DIBDRO Cc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)c2cc(F)ccc2[nH+]1 ZINC001322633908 1053528803 /nfs/dbraw/zinc/52/88/03/1053528803.db2.gz OLWXNZFDNKQBSN-UHFFFAOYSA-N 1 0 323.327 4.111 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccsc1 ZINC000619754266 1053547226 /nfs/dbraw/zinc/54/72/26/1053547226.db2.gz VMELHZHQNKWAIU-STQMWFEESA-N 1 0 304.415 4.328 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619754177 1053548378 /nfs/dbraw/zinc/54/83/78/1053548378.db2.gz LUKXPAZBTFQZCU-ZBEGNZNMSA-N 1 0 302.399 4.385 20 5 DIBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cc2ccccc2[nH]1 ZINC001323321140 1053574988 /nfs/dbraw/zinc/57/49/88/1053574988.db2.gz FBBFGANNNONWNL-RMKNXTFCSA-N 1 0 321.380 4.221 20 5 DIBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001231061818 1053665718 /nfs/dbraw/zinc/66/57/18/1053665718.db2.gz UNNXNYCAPNMXEU-UHFFFAOYSA-N 1 0 320.433 4.242 20 5 DIBDRO c1ccc2cc3cc(O[C@H]4C[NH+]5CCC4CC5)ccc3cc2c1 ZINC001231096580 1053675585 /nfs/dbraw/zinc/67/55/85/1053675585.db2.gz DDHGHOXRCHGCHK-NRFANRHFSA-N 1 0 303.405 4.466 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]C2CC=CC2)o1 ZINC001326740653 1053801294 /nfs/dbraw/zinc/80/12/94/1053801294.db2.gz HOKMXAINCBJPTO-UHFFFAOYSA-N 1 0 318.760 4.316 20 5 DIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001328062271 1053904941 /nfs/dbraw/zinc/90/49/41/1053904941.db2.gz RYXNXVILQNYJQP-VHDGCEQUSA-N 1 0 324.371 4.242 20 5 DIBDRO C[N@H+](CCc1cccc(Nc2ccsc2[N+](=O)[O-])c1)C1CC1 ZINC001472746561 1053918675 /nfs/dbraw/zinc/91/86/75/1053918675.db2.gz MIQVRWJBHAEUDU-UHFFFAOYSA-N 1 0 317.414 4.037 20 5 DIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232223504 1053994858 /nfs/dbraw/zinc/99/48/58/1053994858.db2.gz OKDGGVCZZIBXHT-HUUCEWRRSA-N 1 0 305.425 4.261 20 5 DIBDRO CC(C)[N@@H+](Cc1ccc2ccc3cccnc3c2n1)CC1CC1 ZINC001232220696 1053996145 /nfs/dbraw/zinc/99/61/45/1053996145.db2.gz BHBRXVZIUAIJQH-UHFFFAOYSA-N 1 0 305.425 4.403 20 5 DIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(C(F)F)c1 ZINC001329941361 1054010809 /nfs/dbraw/zinc/01/08/09/1054010809.db2.gz PSTZCBRMJDASQX-HNNXBMFYSA-N 1 0 318.323 4.310 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000848526947 1054127455 /nfs/dbraw/zinc/12/74/55/1054127455.db2.gz MNWJLWLKAKDJPH-SMDDNHRTSA-N 1 0 302.399 4.303 20 5 DIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001233919911 1054388490 /nfs/dbraw/zinc/38/84/90/1054388490.db2.gz WXVRGSWUVVHTSR-GFCCVEGCSA-N 1 0 324.366 4.244 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H](C)C[N+](C)(C)C)c3c2n1 ZINC001234912064 1054619138 /nfs/dbraw/zinc/61/91/38/1054619138.db2.gz HFWMIDUGJKMCSL-INIZCTEOSA-N 1 0 323.460 4.478 20 5 DIBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4CC[N@@H+](C)C4)c3c2n1 ZINC001234914882 1054619544 /nfs/dbraw/zinc/61/95/44/1054619544.db2.gz RWUWAZIRFUTWQL-MRXNPFEDSA-N 1 0 306.409 4.088 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016180 1054641276 /nfs/dbraw/zinc/64/12/76/1054641276.db2.gz CUYQEUKQQZRNPS-KSFYIVLOSA-N 1 0 316.448 4.177 20 5 DIBDRO c1cc2ccc3ccc(CN4CC[NH2+][C@@H]5C[C@@H]54)c4ccc(c1)c2c34 ZINC001235283284 1054697160 /nfs/dbraw/zinc/69/71/60/1054697160.db2.gz FMASOHJLYRDIGF-UXHICEINSA-N 1 0 312.416 4.130 20 5 DIBDRO c1cc2ccc3ccc(CN4C[C@@H]5C[C@H]4C[NH2+]5)c4ccc(c1)c2c34 ZINC001235402120 1054714931 /nfs/dbraw/zinc/71/49/31/1054714931.db2.gz HNLORQLYYBPZSX-OALUTQOASA-N 1 0 312.416 4.130 20 5 DIBDRO Clc1c2ccccc2c(CN2C[C@H]3C[C@@H](C2)[NH2+]3)c2ccccc12 ZINC001235414408 1054715772 /nfs/dbraw/zinc/71/57/72/1054715772.db2.gz JQKSMFQAHCVWRR-OKILXGFUSA-N 1 0 322.839 4.193 20 5 DIBDRO CS[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)(C)C ZINC001474109881 1054782276 /nfs/dbraw/zinc/78/22/76/1054782276.db2.gz SKCVBBGDJXNEGO-OAHLLOKOSA-N 1 0 310.463 4.079 20 5 DIBDRO C[NH2+][C@H]1CCN1Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001236166887 1054977193 /nfs/dbraw/zinc/97/71/93/1054977193.db2.gz JGRDLRGOOQEKSM-GOSISDBHSA-N 1 0 310.828 4.398 20 5 DIBDRO [NH3+][C@@H]1CCN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001236174050 1054978894 /nfs/dbraw/zinc/97/88/94/1054978894.db2.gz SQDDVZDCUKKBAV-CYBMUJFWSA-N 1 0 310.828 4.179 20 5 DIBDRO CCCCC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764506890 1055200378 /nfs/dbraw/zinc/20/03/78/1055200378.db2.gz ZVIKQAXLESITJG-HNNXBMFYSA-N 1 0 319.449 4.122 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)COc1ccccc1 ZINC000765440750 1055394349 /nfs/dbraw/zinc/39/43/49/1055394349.db2.gz SYCBSVRHSBIFGR-GJZGRUSLSA-N 1 0 314.385 4.021 20 5 DIBDRO C[C@H](CC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001620960991 1055616879 /nfs/dbraw/zinc/61/68/79/1055616879.db2.gz LSKSGDDARUGPFN-SNVBAGLBSA-N 1 0 316.348 4.111 20 5 DIBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001168570316 1055657258 /nfs/dbraw/zinc/65/72/58/1055657258.db2.gz MNEAUPBZKTYTCE-CMPLNLGQSA-N 1 0 316.323 4.377 20 5 DIBDRO CNc1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001203459163 1055715834 /nfs/dbraw/zinc/71/58/34/1055715834.db2.gz YAYRXINBDQYUDI-UHFFFAOYSA-N 1 0 315.380 4.151 20 5 DIBDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000131459355 1055742820 /nfs/dbraw/zinc/74/28/20/1055742820.db2.gz SEPPYNXXVBQEHC-CQSZACIVSA-N 1 0 314.385 4.153 20 5 DIBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001620786182 1055960356 /nfs/dbraw/zinc/96/03/56/1055960356.db2.gz ACECFXCYXFFQAH-BTYIYWSLSA-N 1 0 307.437 4.490 20 5 DIBDRO CC1=NO[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC001621051939 1056010971 /nfs/dbraw/zinc/01/09/71/1056010971.db2.gz ZBLFFVHPKUBFCQ-KRWDZBQOSA-N 1 0 304.393 4.247 20 5 DIBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc2cccnc2c2ncccc12 ZINC001168601475 1056019903 /nfs/dbraw/zinc/01/99/03/1056019903.db2.gz QPLVUAMPGRGNDK-WMZOPIPTSA-N 1 0 320.440 4.068 20 5 DIBDRO CCc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001620822499 1056273417 /nfs/dbraw/zinc/27/34/17/1056273417.db2.gz HEWMHYNPMYPWFA-UHFFFAOYSA-N 1 0 312.413 4.270 20 5 DIBDRO C[C@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC001620822955 1056295688 /nfs/dbraw/zinc/29/56/88/1056295688.db2.gz XKIZHQQLLPVZFY-QLPKVWCKSA-N 1 0 304.434 4.332 20 5 DIBDRO CC(C)[N@@H+]1CCCC[C@H]1CSCc1ccc([N+](=O)[O-])cc1 ZINC001613674451 1056398127 /nfs/dbraw/zinc/39/81/27/1056398127.db2.gz URPLRLNSGDODIV-INIZCTEOSA-N 1 0 308.447 4.091 20 5 DIBDRO Cc1cc(F)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC001621086663 1056414428 /nfs/dbraw/zinc/41/44/28/1056414428.db2.gz LQNNWFNIIXGMAR-LBPRGKRZSA-N 1 0 320.339 4.075 20 5 DIBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC001621087151 1056424470 /nfs/dbraw/zinc/42/44/70/1056424470.db2.gz ZQLVBTZKUAVZHP-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000554850030 1056450080 /nfs/dbraw/zinc/45/00/80/1056450080.db2.gz HAOKFZNMGRHYDU-IMJJTQAJSA-N 1 0 318.417 4.004 20 5 DIBDRO CCC[NH+](CCC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001615169143 1056469862 /nfs/dbraw/zinc/46/98/62/1056469862.db2.gz MDKAIPRCFROPDS-UHFFFAOYSA-N 1 0 304.312 4.236 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCc2ccccc2CC1 ZINC001615536342 1056529282 /nfs/dbraw/zinc/52/92/82/1056529282.db2.gz TZSHXUCEKDNYIQ-OAHLLOKOSA-N 1 0 310.397 4.065 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC001615796396 1056574558 /nfs/dbraw/zinc/57/45/58/1056574558.db2.gz AGLJEWYGPRWGFF-OAHLLOKOSA-N 1 0 316.788 4.065 20 5 DIBDRO CCC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001615788073 1056575147 /nfs/dbraw/zinc/57/51/47/1056575147.db2.gz BKWRRPAWQBUBFL-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO Cc1ccc(C[N@@H+](C)[C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC001615818225 1056577425 /nfs/dbraw/zinc/57/74/25/1056577425.db2.gz RJGJOIMMWHUYGE-CYBMUJFWSA-N 1 0 304.415 4.028 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001616523588 1056670891 /nfs/dbraw/zinc/67/08/91/1056670891.db2.gz VCOBNNYICOBPPS-MRXNPFEDSA-N 1 0 306.312 4.114 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000113172338 1056691833 /nfs/dbraw/zinc/69/18/33/1056691833.db2.gz ZJIIEIQGIAWLPX-CQSZACIVSA-N 1 0 314.385 4.187 20 5 DIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000113172333 1056692777 /nfs/dbraw/zinc/69/27/77/1056692777.db2.gz ZJIIEIQGIAWLPX-AWEZNQCLSA-N 1 0 314.385 4.187 20 5 DIBDRO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)s1 ZINC001616893262 1056733363 /nfs/dbraw/zinc/73/33/63/1056733363.db2.gz YNBVLCVJQATJID-UHFFFAOYSA-N 1 0 316.426 4.438 20 5 DIBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](CC1CC1)C1CCCCC1 ZINC000078458860 1056840106 /nfs/dbraw/zinc/84/01/06/1056840106.db2.gz UGQPUESLJMNNMW-UHFFFAOYSA-N 1 0 318.417 4.018 20 5 DIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000316750561 1056989421 /nfs/dbraw/zinc/98/94/21/1056989421.db2.gz QNEYPCPPAVIWCV-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000275789293 1057029731 /nfs/dbraw/zinc/02/97/31/1057029731.db2.gz WXAKVHWHDPIUJV-LLVKDONJSA-N 1 0 306.312 4.383 20 5 DIBDRO c1ccc2c(c1)cc1ccccc1c2-c1ncnc2c1C[NH2+]CC2 ZINC001241379536 1057031608 /nfs/dbraw/zinc/03/16/08/1057031608.db2.gz VDYRYZJHHBCJJT-UHFFFAOYSA-N 1 0 311.388 4.096 20 5 DIBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000922540532 1057032435 /nfs/dbraw/zinc/03/24/35/1057032435.db2.gz LOYMPSDFNATXCN-LLVKDONJSA-N 1 0 320.776 4.108 20 5 DIBDRO C[C@H](c1cccc(O)c1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093315361 1057035739 /nfs/dbraw/zinc/03/57/39/1057035739.db2.gz UWGSTIYXRNIHQY-VIIAAUOXSA-N 1 0 312.369 4.007 20 5 DIBDRO Cc1ccsc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302129756 1057101746 /nfs/dbraw/zinc/10/17/46/1057101746.db2.gz BNBBCHICRIDDBX-UHFFFAOYSA-N 1 0 313.382 4.433 20 5 DIBDRO CSC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000302862522 1057112943 /nfs/dbraw/zinc/11/29/43/1057112943.db2.gz RGEYARSGQBWSIC-UHFFFAOYSA-N 1 0 317.414 4.149 20 5 DIBDRO C[C@H]([NH2+]CCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000219157669 1057194501 /nfs/dbraw/zinc/19/45/01/1057194501.db2.gz UMANYDBUVJRVFT-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCc2sccc2C1 ZINC000611271191 1057588349 /nfs/dbraw/zinc/58/83/49/1057588349.db2.gz UGBZAKUFLXXKST-UTCJRWHESA-N 1 0 314.410 4.118 20 5 DIBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611293101 1057589847 /nfs/dbraw/zinc/58/98/47/1057589847.db2.gz FRKZPLSBJZHZPF-AWEZNQCLSA-N 1 0 313.401 4.272 20 5 DIBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000732819881 1057788143 /nfs/dbraw/zinc/78/81/43/1057788143.db2.gz BTAYFAIWZXAOSD-LJQANCHMSA-N 1 0 310.397 4.453 20 5 DIBDRO Cc1ccc(F)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001559499339 1059285091 /nfs/dbraw/zinc/28/50/91/1059285091.db2.gz PPLNPWYNQOUDBQ-UHFFFAOYSA-N 1 0 316.376 4.453 20 5 DIBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001559538976 1059340460 /nfs/dbraw/zinc/34/04/60/1059340460.db2.gz CJKRJADZMKZHMC-XJKSGUPXSA-N 1 0 314.360 4.112 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC001559559957 1059373566 /nfs/dbraw/zinc/37/35/66/1059373566.db2.gz BCJCEPLRAYZYNE-ZIAGYGMSSA-N 1 0 306.406 4.002 20 5 DIBDRO CCCC[NH+](CCCC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001559572317 1059405370 /nfs/dbraw/zinc/40/53/70/1059405370.db2.gz UUMXIGSXGNLIKI-UHFFFAOYSA-N 1 0 312.385 4.145 20 5 DIBDRO C[C@H](Cc1ccsc1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001559583602 1059415303 /nfs/dbraw/zinc/41/53/03/1059415303.db2.gz LMUNQQBPQWILCS-LLVKDONJSA-N 1 0 324.833 4.373 20 5 DIBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001559647282 1059476795 /nfs/dbraw/zinc/47/67/95/1059476795.db2.gz DGKMYYZYATYBKK-DZGCQCFKSA-N 1 0 306.406 4.004 20 5 DIBDRO CC(C)(C)C[NH+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001559717351 1059546384 /nfs/dbraw/zinc/54/63/84/1059546384.db2.gz KKXQIZZJFNYLCY-UHFFFAOYSA-N 1 0 322.449 4.368 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC001559768205 1059603286 /nfs/dbraw/zinc/60/32/86/1059603286.db2.gz FRMYLQHCERJZKV-JJRVBVJISA-N 1 0 320.433 4.296 20 5 DIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)cc1 ZINC001559848788 1059674873 /nfs/dbraw/zinc/67/48/73/1059674873.db2.gz CDRVVVJIUWDBSY-FXAWDEMLSA-N 1 0 322.408 4.462 20 5 DIBDRO CCOc1cc(C[NH2+][C@]2(C)CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001559892921 1059709417 /nfs/dbraw/zinc/70/94/17/1059709417.db2.gz CYZTWNCUCUBJDF-CXAGYDPISA-N 1 0 306.406 4.052 20 5 DIBDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001559907795 1059725437 /nfs/dbraw/zinc/72/54/37/1059725437.db2.gz KQQHZIBUARXSII-GOSISDBHSA-N 1 0 314.360 4.379 20 5 DIBDRO [NH3+][C@H]1C[C@H](c2nc(-c3cc4ccccc4c4ccccc34)no2)C1 ZINC001248314841 1059780693 /nfs/dbraw/zinc/78/06/93/1059780693.db2.gz KPRRKWCWSZHNGH-HDJSIYSDSA-N 1 0 315.376 4.248 20 5 DIBDRO CCCCC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560017504 1059821129 /nfs/dbraw/zinc/82/11/29/1059821129.db2.gz LQICVWPKSGFHIZ-WMZOPIPTSA-N 1 0 320.433 4.063 20 5 DIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001560016347 1059822490 /nfs/dbraw/zinc/82/24/90/1059822490.db2.gz CCAKZMFDAYOYEK-HOTGVXAUSA-N 1 0 318.417 4.148 20 5 DIBDRO Cc1[nH+]c2ccc(F)cn2c1Nc1ccc([N+](=O)[O-])cc1Cl ZINC001248604359 1059908630 /nfs/dbraw/zinc/90/86/30/1059908630.db2.gz UXWQZXRYOLWCTL-UHFFFAOYSA-N 1 0 320.711 4.087 20 5 DIBDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001560187233 1059973752 /nfs/dbraw/zinc/97/37/52/1059973752.db2.gz CEYJFEAMJSILKL-KRWDZBQOSA-N 1 0 310.397 4.363 20 5 DIBDRO Cc1c(C[NH2+]CCCCCc2ccccc2)cccc1[N+](=O)[O-] ZINC001560308582 1060094333 /nfs/dbraw/zinc/09/43/33/1060094333.db2.gz WZIFDUTYDPGZNL-UHFFFAOYSA-N 1 0 312.413 4.406 20 5 DIBDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001560313931 1060102579 /nfs/dbraw/zinc/10/25/79/1060102579.db2.gz BQTKLGOGFYKUBN-HZPDHXFCSA-N 1 0 320.433 4.168 20 5 DIBDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001560313929 1060102760 /nfs/dbraw/zinc/10/27/60/1060102760.db2.gz BQTKLGOGFYKUBN-CVEARBPZSA-N 1 0 320.433 4.168 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC001560357838 1060144826 /nfs/dbraw/zinc/14/48/26/1060144826.db2.gz YUEIGIRPHCGRLY-GFCCVEGCSA-N 1 0 319.792 4.111 20 5 DIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(Cc3ccccc3)CCCC2)c1 ZINC001560419851 1060204565 /nfs/dbraw/zinc/20/45/65/1060204565.db2.gz JUYGWUYALZJNTI-UHFFFAOYSA-N 1 0 324.424 4.488 20 5 DIBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001560460851 1060252089 /nfs/dbraw/zinc/25/20/89/1060252089.db2.gz BHKJUKATVOVGFB-MFKMUULPSA-N 1 0 316.323 4.282 20 5 DIBDRO Cc1cc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC001560484855 1060274482 /nfs/dbraw/zinc/27/44/82/1060274482.db2.gz WOPJPOHKMIHBQE-UHFFFAOYSA-N 1 0 318.804 4.197 20 5 DIBDRO Cc1c(C[NH2+][C@@H](C2CCC2)C2CCCC2)cccc1[N+](=O)[O-] ZINC001560514318 1060312050 /nfs/dbraw/zinc/31/20/50/1060312050.db2.gz NPFUSORAOKBNKH-GOSISDBHSA-N 1 0 302.418 4.352 20 5 DIBDRO COC[C@@H](CC(C)(C)C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001560517719 1060317612 /nfs/dbraw/zinc/31/76/12/1060317612.db2.gz UWJWVOLGJWMNSP-SCZPIIQISA-N 1 0 320.433 4.039 20 5 DIBDRO COC[C@@H](CC(C)(C)C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001560517717 1060318595 /nfs/dbraw/zinc/31/85/95/1060318595.db2.gz UWJWVOLGJWMNSP-IHWMJMDHSA-N 1 0 320.433 4.039 20 5 DIBDRO Cc1scc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC001560603718 1060416518 /nfs/dbraw/zinc/41/65/18/1060416518.db2.gz DYAIZSPIOSMJCP-NSHDSACASA-N 1 0 304.415 4.166 20 5 DIBDRO C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001560603734 1060416707 /nfs/dbraw/zinc/41/67/07/1060416707.db2.gz FFKVMESJWYOVLW-RTYFKUQISA-N 1 0 310.397 4.391 20 5 DIBDRO Cc1cccc2[nH]c(C[NH2+]C[C@@H](C)c3ccccc3[N+](=O)[O-])cc21 ZINC001560604236 1060417153 /nfs/dbraw/zinc/41/71/53/1060417153.db2.gz PFHJVAXIBNPEHT-CQSZACIVSA-N 1 0 323.396 4.278 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC001560663231 1060489134 /nfs/dbraw/zinc/48/91/34/1060489134.db2.gz HMIQMEHJQHKLPL-CYBMUJFWSA-N 1 0 318.442 4.336 20 5 DIBDRO COC1CCC(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001560682134 1060527708 /nfs/dbraw/zinc/52/77/08/1060527708.db2.gz DEGBVFRVLCGBEX-UHFFFAOYSA-N 1 0 320.433 4.010 20 5 DIBDRO C[C@@H](CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001560697651 1060551284 /nfs/dbraw/zinc/55/12/84/1060551284.db2.gz JJGRYUALKZPKQP-HNNXBMFYSA-N 1 0 310.397 4.147 20 5 DIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001560715446 1060574663 /nfs/dbraw/zinc/57/46/63/1060574663.db2.gz IKYAFKPDDIMSFZ-QWRGUYRKSA-N 1 0 316.323 4.092 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c(Cl)c1 ZINC001560718581 1060581665 /nfs/dbraw/zinc/58/16/65/1060581665.db2.gz XWCDWWSLYAXPGW-STQMWFEESA-N 1 0 308.809 4.260 20 5 DIBDRO C[C@H](CC1CCCCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001560791081 1060651394 /nfs/dbraw/zinc/65/13/94/1060651394.db2.gz AMSICHQBRSPGHS-GFCCVEGCSA-N 1 0 317.389 4.185 20 5 DIBDRO CC[C@H]1CCC[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001560825074 1060684354 /nfs/dbraw/zinc/68/43/54/1060684354.db2.gz AJRCKQSHLDLMPK-JKSUJKDBSA-N 1 0 304.434 4.286 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC001560862934 1060723578 /nfs/dbraw/zinc/72/35/78/1060723578.db2.gz WZSLAMUWFIOVDQ-UHFFFAOYSA-N 1 0 312.360 4.221 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC001560886078 1060749874 /nfs/dbraw/zinc/74/98/74/1060749874.db2.gz UFYSGGIVGNQMTH-DOMZBBRYSA-N 1 0 308.809 4.164 20 5 DIBDRO c1[nH+]cn2cc(Nc3cccc4nc5ccccc5nc43)ccc12 ZINC001250332076 1060784621 /nfs/dbraw/zinc/78/46/21/1060784621.db2.gz SABHOWONBUDHCM-UHFFFAOYSA-N 1 0 311.348 4.174 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(c2ccccc2)C1 ZINC001560942419 1060806239 /nfs/dbraw/zinc/80/62/39/1060806239.db2.gz OXAWUAFMVREPKF-WJDWOHSUSA-N 1 0 322.408 4.272 20 5 DIBDRO Cc1cccc(CC2C[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)c1 ZINC001560942719 1060806384 /nfs/dbraw/zinc/80/63/84/1060806384.db2.gz DVVRYEVPYKPWBX-UHFFFAOYSA-N 1 0 324.424 4.195 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC001560961368 1060827015 /nfs/dbraw/zinc/82/70/15/1060827015.db2.gz NMYVIAYEFZZSJW-QSPRXWTASA-N 1 0 320.408 4.176 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(c2ccccc2)C1 ZINC001560966144 1060829629 /nfs/dbraw/zinc/82/96/29/1060829629.db2.gz NICZIGDQIRCUQA-XNTDXEJSSA-N 1 0 308.381 4.098 20 5 DIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001560988215 1060851059 /nfs/dbraw/zinc/85/10/59/1060851059.db2.gz NEJTVMPQTBHQCJ-BSWAZPDLSA-N 1 0 302.418 4.084 20 5 DIBDRO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001561004726 1060862972 /nfs/dbraw/zinc/86/29/72/1060862972.db2.gz TVXPRLQMPBHFHE-UHOFOFEASA-N 1 0 320.433 4.228 20 5 DIBDRO C[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001561027158 1060883088 /nfs/dbraw/zinc/88/30/88/1060883088.db2.gz XCBVHOVTHPPNSY-XJKCOSOUSA-N 1 0 322.474 4.208 20 5 DIBDRO CCC1CCC([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001473210410 1060979149 /nfs/dbraw/zinc/97/91/49/1060979149.db2.gz IUTMIUZSKWOPCV-UHFFFAOYSA-N 1 0 320.433 4.264 20 5 DIBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC001462169746 1060988512 /nfs/dbraw/zinc/98/85/12/1060988512.db2.gz AXKOGKDXFPBQFD-JHJVBQTASA-N 1 0 310.825 4.410 20 5 DIBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC001462169742 1060988892 /nfs/dbraw/zinc/98/88/92/1060988892.db2.gz AXKOGKDXFPBQFD-AGIUHOORSA-N 1 0 310.825 4.410 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CCC(C)C)cc1[N+](=O)[O-] ZINC001473253483 1061031141 /nfs/dbraw/zinc/03/11/41/1061031141.db2.gz NXJAIOYMZLTDCL-INIZCTEOSA-N 1 0 320.433 4.394 20 5 DIBDRO CCC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001473259669 1061033750 /nfs/dbraw/zinc/03/37/50/1061033750.db2.gz YYEJUHWLDWLWIF-HNNXBMFYSA-N 1 0 320.433 4.394 20 5 DIBDRO CCC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001473259670 1061034284 /nfs/dbraw/zinc/03/42/84/1061034284.db2.gz YYEJUHWLDWLWIF-OAHLLOKOSA-N 1 0 320.433 4.394 20 5 DIBDRO CC(C)(C)SCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001473343921 1061103282 /nfs/dbraw/zinc/10/32/82/1061103282.db2.gz WPCWGLVDSLJADB-UHFFFAOYSA-N 1 0 322.474 4.481 20 5 DIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001473353559 1061109689 /nfs/dbraw/zinc/10/96/89/1061109689.db2.gz AHTWGKNBSQLCJX-HXUWFJFHSA-N 1 0 324.424 4.235 20 5 DIBDRO CCCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC001473367227 1061116615 /nfs/dbraw/zinc/11/66/15/1061116615.db2.gz PKMOVDVAINFIML-MRXNPFEDSA-N 1 0 306.406 4.052 20 5 DIBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001473384177 1061127517 /nfs/dbraw/zinc/12/75/17/1061127517.db2.gz JTHMPIQFXOENEP-QMTHXVAHSA-N 1 0 316.323 4.282 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CCCC3)C2)ccc1Cl ZINC001473393553 1061132366 /nfs/dbraw/zinc/13/23/66/1061132366.db2.gz GWGAEFLLMOHETR-UHFFFAOYSA-N 1 0 308.809 4.404 20 5 DIBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC1CCC1 ZINC001473417634 1061150111 /nfs/dbraw/zinc/15/01/11/1061150111.db2.gz KSFGYIOCZHEPSB-UHFFFAOYSA-N 1 0 306.406 4.004 20 5 DIBDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC001462419646 1061161923 /nfs/dbraw/zinc/16/19/23/1061161923.db2.gz ZXGOZMINABIXFF-ITGUQSILSA-N 1 0 310.825 4.410 20 5 DIBDRO CCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCC1 ZINC001473488473 1061186953 /nfs/dbraw/zinc/18/69/53/1061186953.db2.gz LFSDJNUVYBEWMG-UHFFFAOYSA-N 1 0 316.323 4.426 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001473492253 1061187622 /nfs/dbraw/zinc/18/76/22/1061187622.db2.gz DOJBWKRSPPWGJI-HNNXBMFYSA-N 1 0 314.360 4.114 20 5 DIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2cccc(Cl)c2C1 ZINC001473537938 1061228647 /nfs/dbraw/zinc/22/86/47/1061228647.db2.gz AKLCKIZWNICJRV-LBPRGKRZSA-N 1 0 316.788 4.368 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2[nH]ccc21 ZINC001462526670 1061238939 /nfs/dbraw/zinc/23/89/39/1061238939.db2.gz AJBUEXYKTGNOIL-AWEZNQCLSA-N 1 0 323.396 4.187 20 5 DIBDRO C=C/C=C/CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001462559947 1061262005 /nfs/dbraw/zinc/26/20/05/1061262005.db2.gz WVXAFEYXHUBXNM-GILVVUIESA-N 1 0 300.402 4.028 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001473595863 1061281085 /nfs/dbraw/zinc/28/10/85/1061281085.db2.gz PXNBWEXKXQUXIH-MRXNPFEDSA-N 1 0 306.381 4.279 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC001462593179 1061284513 /nfs/dbraw/zinc/28/45/13/1061284513.db2.gz ZHKWIUYYRRJEJQ-SNVBAGLBSA-N 1 0 318.339 4.385 20 5 DIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C3CCCCC3)C2)cc1 ZINC001473621002 1061295274 /nfs/dbraw/zinc/29/52/74/1061295274.db2.gz DZCFZPHQXFVFIX-QGZVFWFLSA-N 1 0 302.418 4.040 20 5 DIBDRO Cc1ccc([C@H](C)C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001462624116 1061304062 /nfs/dbraw/zinc/30/40/62/1061304062.db2.gz DDUKQRQAAAJMOU-CVEARBPZSA-N 1 0 312.413 4.400 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3CCC3)C2)c(Cl)c1 ZINC001473658987 1061321247 /nfs/dbraw/zinc/32/12/47/1061321247.db2.gz YJKOACNURQGRJC-ZDUSSCGKSA-N 1 0 308.809 4.260 20 5 DIBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473745731 1061387625 /nfs/dbraw/zinc/38/76/25/1061387625.db2.gz QZEOTJNVLTWPQY-SFHVURJKSA-N 1 0 318.417 4.018 20 5 DIBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001473818834 1061423461 /nfs/dbraw/zinc/42/34/61/1061423461.db2.gz XGDJNHHLSQXEES-CZUORRHYSA-N 1 0 316.426 4.424 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)ccc1Cl ZINC001473845843 1061431413 /nfs/dbraw/zinc/43/14/13/1061431413.db2.gz MWSROCAZAFAJHJ-HOCLYGCPSA-N 1 0 320.820 4.259 20 5 DIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1 ZINC001473844360 1061432670 /nfs/dbraw/zinc/43/26/70/1061432670.db2.gz AVMLSIQNVPWPHT-GUYCJALGSA-N 1 0 320.820 4.259 20 5 DIBDRO CCC[C@@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC001473877871 1061447386 /nfs/dbraw/zinc/44/73/86/1061447386.db2.gz LDYYRCNEOKONPI-MRXNPFEDSA-N 1 0 304.415 4.461 20 5 DIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000540394677 1061468969 /nfs/dbraw/zinc/46/89/69/1061468969.db2.gz CEMCUWFUSXMOSE-ZIAGYGMSSA-N 1 0 310.397 4.495 20 5 DIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001251894756 1061527460 /nfs/dbraw/zinc/52/74/60/1061527460.db2.gz CVHUIOZIZQNSPV-STQMWFEESA-N 1 0 308.809 4.260 20 5 DIBDRO CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC001474034874 1061579934 /nfs/dbraw/zinc/57/99/34/1061579934.db2.gz CCVHEGKXLWJANH-UHFFFAOYSA-N 1 0 302.399 4.213 20 5 DIBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC001458163674 1061606273 /nfs/dbraw/zinc/60/62/73/1061606273.db2.gz AYWWJJAAENKBOO-SFHVURJKSA-N 1 0 317.433 4.051 20 5 DIBDRO CC[C@@H]([NH2+][C@H]1CCC[C@H](SC)C1)c1cccc([N+](=O)[O-])c1 ZINC001474072163 1061618400 /nfs/dbraw/zinc/61/84/00/1061618400.db2.gz NJVCAKAAJKPDRS-CWRNSKLLSA-N 1 0 308.447 4.310 20 5 DIBDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001474081194 1061627702 /nfs/dbraw/zinc/62/77/02/1061627702.db2.gz QRXGTAFZPXPOGF-ZDUSSCGKSA-N 1 0 302.374 4.379 20 5 DIBDRO CCc1ccccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474088489 1061634996 /nfs/dbraw/zinc/63/49/96/1061634996.db2.gz FYMSJDLXRRBCNM-UHFFFAOYSA-N 1 0 318.804 4.143 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC001458221332 1061642366 /nfs/dbraw/zinc/64/23/66/1061642366.db2.gz OOLBXPWHGYGDBD-UHFFFAOYSA-N 1 0 317.433 4.112 20 5 DIBDRO CC(C)[C@@H](CO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001474138384 1061685024 /nfs/dbraw/zinc/68/50/24/1061685024.db2.gz YHCHRUDEBPYOOE-GOSISDBHSA-N 1 0 307.437 4.347 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC001474195945 1061747915 /nfs/dbraw/zinc/74/79/15/1061747915.db2.gz HKMJQKMWVUWHDR-GFCCVEGCSA-N 1 0 302.374 4.379 20 5 DIBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC001474246450 1061810812 /nfs/dbraw/zinc/81/08/12/1061810812.db2.gz UOSCPHFWFPZDSL-DOTOQJQBSA-N 1 0 320.433 4.013 20 5 DIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc2cccnc12 ZINC001474256015 1061823689 /nfs/dbraw/zinc/82/36/89/1061823689.db2.gz DCMNADGFNJSEOA-AWEZNQCLSA-N 1 0 321.380 4.302 20 5 DIBDRO C[C@@H](C[NH2+]Cc1sccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001474282612 1061849511 /nfs/dbraw/zinc/84/95/11/1061849511.db2.gz BSTJAPSKYQAPTF-JTQLQIEISA-N 1 0 310.806 4.203 20 5 DIBDRO C[C@H](C[NH2+]Cc1cccc2ccoc21)c1ccccc1[N+](=O)[O-] ZINC001474282744 1061849743 /nfs/dbraw/zinc/84/97/43/1061849743.db2.gz DCRGOGCVBAJNSH-CYBMUJFWSA-N 1 0 310.353 4.234 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001474285585 1061855220 /nfs/dbraw/zinc/85/52/20/1061855220.db2.gz LEXXYLDMPQDSRK-GOSISDBHSA-N 1 0 324.424 4.249 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001474285586 1061856426 /nfs/dbraw/zinc/85/64/26/1061856426.db2.gz LEXXYLDMPQDSRK-SFHVURJKSA-N 1 0 324.424 4.249 20 5 DIBDRO CC1(C)CCC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001474380875 1062024644 /nfs/dbraw/zinc/02/46/44/1062024644.db2.gz FNOHLSJEDAYEBT-CQSZACIVSA-N 1 0 302.418 4.169 20 5 DIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CC1CCCCC1)C1CC1 ZINC001459323540 1062090792 /nfs/dbraw/zinc/09/07/92/1062090792.db2.gz HLFDMPQZYANAEX-UHFFFAOYSA-N 1 0 306.381 4.279 20 5 DIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2cc[nH]c2c1 ZINC001459346643 1062101121 /nfs/dbraw/zinc/10/11/21/1062101121.db2.gz SQFQNBYJNHGPOB-UHFFFAOYSA-N 1 0 323.396 4.487 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC001254534688 1062163260 /nfs/dbraw/zinc/16/32/60/1062163260.db2.gz BATCFNQVJFCRND-PGBRGIIUSA-N 1 0 314.429 4.084 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)c1ccccc1 ZINC001254537302 1062163613 /nfs/dbraw/zinc/16/36/13/1062163613.db2.gz ZJYMCZOHAMPDMI-OAHLLOKOSA-N 1 0 312.413 4.093 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(Cl)c1 ZINC001254531342 1062164040 /nfs/dbraw/zinc/16/40/40/1062164040.db2.gz DRYYPCLBZRTUHR-CYBMUJFWSA-N 1 0 318.804 4.012 20 5 DIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001254535796 1062164259 /nfs/dbraw/zinc/16/42/59/1062164259.db2.gz LAGAOWVINGCJJM-GUYCJALGSA-N 1 0 316.376 4.406 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)cc1F ZINC001254538009 1062165502 /nfs/dbraw/zinc/16/55/02/1062165502.db2.gz MGCOLINXSPXGML-LLVKDONJSA-N 1 0 322.767 4.108 20 5 DIBDRO C[C@H]([NH3+])c1ccc2c(ccn2[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254532238 1062165654 /nfs/dbraw/zinc/16/56/54/1062165654.db2.gz LVTMSLCXDZAMTJ-KBPBESRZSA-N 1 0 323.396 4.373 20 5 DIBDRO CC[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001459490555 1062165838 /nfs/dbraw/zinc/16/58/38/1062165838.db2.gz QHXKFVDMNIGZNT-VIFPVBQESA-N 1 0 305.205 4.380 20 5 DIBDRO Cc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254545247 1062170086 /nfs/dbraw/zinc/17/00/86/1062170086.db2.gz BTZWUNKGJMVUBK-KGLIPLIRSA-N 1 0 316.376 4.324 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCc1ccccc1 ZINC001254545994 1062170155 /nfs/dbraw/zinc/17/01/55/1062170155.db2.gz FBSRVGDZNDFWNF-MRXNPFEDSA-N 1 0 312.413 4.138 20 5 DIBDRO Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254545245 1062171261 /nfs/dbraw/zinc/17/12/61/1062171261.db2.gz BTZWUNKGJMVUBK-KBPBESRZSA-N 1 0 316.376 4.324 20 5 DIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CCCC2)C1 ZINC001254552787 1062174220 /nfs/dbraw/zinc/17/42/20/1062174220.db2.gz PHQUYIQUABIFJQ-OAHLLOKOSA-N 1 0 302.418 4.182 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2[C@H]1C ZINC001254550825 1062174435 /nfs/dbraw/zinc/17/44/35/1062174435.db2.gz RSJTZKRDIJEMSY-LSDHHAIUSA-N 1 0 310.397 4.145 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001254557796 1062175922 /nfs/dbraw/zinc/17/59/22/1062175922.db2.gz BISSNSMTPPBWQP-GOEBONIOSA-N 1 0 320.408 4.130 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001254557797 1062175983 /nfs/dbraw/zinc/17/59/83/1062175983.db2.gz BISSNSMTPPBWQP-HOCLYGCPSA-N 1 0 320.408 4.130 20 5 DIBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001459512238 1062175972 /nfs/dbraw/zinc/17/59/72/1062175972.db2.gz FOGRVPBCFBZLGK-OSAQELSMSA-N 1 0 308.809 4.401 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1Cl ZINC001254562335 1062179079 /nfs/dbraw/zinc/17/90/79/1062179079.db2.gz KGKNDSUVVBINFU-ZDUSSCGKSA-N 1 0 318.804 4.311 20 5 DIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001254562615 1062180647 /nfs/dbraw/zinc/18/06/47/1062180647.db2.gz OCHTVAIYQBFSKY-XJKSGUPXSA-N 1 0 316.426 4.424 20 5 DIBDRO CC[N@H+](Cc1cccc(F)c1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567074 1062183190 /nfs/dbraw/zinc/18/31/90/1062183190.db2.gz WAUGRWPZEFUIHV-CQSZACIVSA-N 1 0 316.376 4.187 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3sccc3c1)C2 ZINC001254575909 1062186814 /nfs/dbraw/zinc/18/68/14/1062186814.db2.gz UOZPLJVNVXZHIR-MRXNPFEDSA-N 1 0 324.405 4.067 20 5 DIBDRO CC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(C)cc1 ZINC001254576175 1062186981 /nfs/dbraw/zinc/18/69/81/1062186981.db2.gz VAYDOXZGDATHJO-MJGOQNOKSA-N 1 0 310.397 4.111 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC001254578219 1062188786 /nfs/dbraw/zinc/18/87/86/1062188786.db2.gz BSNUZJFIOCCAQC-WMLDXEAASA-N 1 0 310.397 4.030 20 5 DIBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC001254582007 1062189308 /nfs/dbraw/zinc/18/93/08/1062189308.db2.gz RSAKQGUBGJLHHY-BZNIZROVSA-N 1 0 316.788 4.066 20 5 DIBDRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254578212 1062190026 /nfs/dbraw/zinc/19/00/26/1062190026.db2.gz BPXFVOICYJAVTD-SUMWQHHRSA-N 1 0 302.418 4.011 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC001254578220 1062190090 /nfs/dbraw/zinc/19/00/90/1062190090.db2.gz BSNUZJFIOCCAQC-YOEHRIQHSA-N 1 0 310.397 4.030 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C2 ZINC001254579896 1062190134 /nfs/dbraw/zinc/19/01/34/1062190134.db2.gz WUMWDKPNAYYKTC-UYAOXDASSA-N 1 0 322.408 4.193 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCC1CCCCC1)C2 ZINC001254582719 1062190204 /nfs/dbraw/zinc/19/02/04/1062190204.db2.gz WBCKRSDHNLTPTL-QGZVFWFLSA-N 1 0 302.418 4.012 20 5 DIBDRO CC(C)([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254585552 1062190364 /nfs/dbraw/zinc/19/03/64/1062190364.db2.gz MGNNWEXINJBOGP-MRXNPFEDSA-N 1 0 302.418 4.011 20 5 DIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254600168 1062194847 /nfs/dbraw/zinc/19/48/47/1062194847.db2.gz QHOJVAMTPITOAE-PMACEKPBSA-N 1 0 322.408 4.208 20 5 DIBDRO CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602385 1062195454 /nfs/dbraw/zinc/19/54/54/1062195454.db2.gz FGBSQTFLHZISBO-MOPGFXCFSA-N 1 0 310.397 4.145 20 5 DIBDRO Cc1cccc([C@H]2CCC[N@@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254600171 1062196155 /nfs/dbraw/zinc/19/61/55/1062196155.db2.gz QHOJVAMTPITOAE-WOJBJXKFSA-N 1 0 322.408 4.208 20 5 DIBDRO Cc1oc2ccccc2c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001474516958 1062200217 /nfs/dbraw/zinc/20/02/17/1062200217.db2.gz MKRQRANKKQBCHZ-UHFFFAOYSA-N 1 0 324.380 4.324 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC001474517005 1062201333 /nfs/dbraw/zinc/20/13/33/1062201333.db2.gz NIJHFBYJASWERX-UHFFFAOYSA-N 1 0 312.369 4.094 20 5 DIBDRO CC[C@@H]1CCCC[C@@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001474516712 1062202137 /nfs/dbraw/zinc/20/21/37/1062202137.db2.gz LEDVSEBXIAUQIL-NVXWUHKLSA-N 1 0 304.434 4.286 20 5 DIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC2CC2)CC2CC2)cc1Cl ZINC001474640257 1062364252 /nfs/dbraw/zinc/36/42/52/1062364252.db2.gz CIRWJAMSXQZXRI-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO C[N@H+](CCCC(C)(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001459751284 1062364231 /nfs/dbraw/zinc/36/42/31/1062364231.db2.gz YXINTSAAMWSASJ-UHFFFAOYSA-N 1 0 306.740 4.115 20 5 DIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC23CCCCC3)cc1 ZINC001459775277 1062390214 /nfs/dbraw/zinc/39/02/14/1062390214.db2.gz LGOYGOBUZFQMAX-UHFFFAOYSA-N 1 0 318.417 4.162 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001474696546 1062424000 /nfs/dbraw/zinc/42/40/00/1062424000.db2.gz LSEGBOXEYXZSJT-AWEZNQCLSA-N 1 0 310.397 4.331 20 5 DIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC001459823786 1062428534 /nfs/dbraw/zinc/42/85/34/1062428534.db2.gz FGQIZWJJOPMFJK-HIFRSBDPSA-N 1 0 320.433 4.148 20 5 DIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC001459836648 1062435780 /nfs/dbraw/zinc/43/57/80/1062435780.db2.gz OQUWEXSVPNYTOC-CHWSQXEVSA-N 1 0 302.349 4.016 20 5 DIBDRO Cc1ccccc1[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001459848900 1062447197 /nfs/dbraw/zinc/44/71/97/1062447197.db2.gz JVFQSRCCPSIQGG-IBGZPJMESA-N 1 0 312.413 4.433 20 5 DIBDRO CCC1(CC)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001459963098 1062531957 /nfs/dbraw/zinc/53/19/57/1062531957.db2.gz MSFCLYIDGRNHMY-UHFFFAOYSA-N 1 0 320.433 4.266 20 5 DIBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC001459964873 1062532872 /nfs/dbraw/zinc/53/28/72/1062532872.db2.gz OXKWBJXWKDECNL-CJNGLKHVSA-N 1 0 308.397 4.428 20 5 DIBDRO Cc1cc(C)cc(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001460058260 1062606502 /nfs/dbraw/zinc/60/65/02/1062606502.db2.gz MRUCUPFNWKBRNV-UHFFFAOYSA-N 1 0 318.804 4.497 20 5 DIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001460077155 1062617428 /nfs/dbraw/zinc/61/74/28/1062617428.db2.gz TURXYXGQRPSDCN-HNAYVOBHSA-N 1 0 310.397 4.220 20 5 DIBDRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001460133324 1062653548 /nfs/dbraw/zinc/65/35/48/1062653548.db2.gz SRXGMYOADFRORG-NVXWUHKLSA-N 1 0 304.434 4.456 20 5 DIBDRO Cc1c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001460134852 1062653772 /nfs/dbraw/zinc/65/37/72/1062653772.db2.gz JRANKXDOHCPOAX-SFHVURJKSA-N 1 0 310.397 4.283 20 5 DIBDRO COc1cc(C[N@@H+]2CCC[C@]2(C)CC(C)C)c([N+](=O)[O-])cc1F ZINC001460137473 1062655204 /nfs/dbraw/zinc/65/52/04/1062655204.db2.gz RNZCMGOOLQVDMO-QGZVFWFLSA-N 1 0 324.396 4.143 20 5 DIBDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001460159491 1062670375 /nfs/dbraw/zinc/67/03/75/1062670375.db2.gz GJUIXRVNPKTYSZ-GUXCAODWSA-N 1 0 324.424 4.404 20 5 DIBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC001460366811 1062811428 /nfs/dbraw/zinc/81/14/28/1062811428.db2.gz RYKQZTBBDGDYIY-UHFFFAOYSA-N 1 0 318.417 4.020 20 5 DIBDRO Cc1ccc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC001460372274 1062817436 /nfs/dbraw/zinc/81/74/36/1062817436.db2.gz YVBINNDVXKSATQ-KRWDZBQOSA-N 1 0 302.418 4.305 20 5 DIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CCC3)CC2)c(Cl)c1 ZINC001460376595 1062823107 /nfs/dbraw/zinc/82/31/07/1062823107.db2.gz WQBVLGOLLMFUEK-UHFFFAOYSA-N 1 0 308.809 4.260 20 5 DIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](C3CCC3)C2)ccc1Cl ZINC001460456533 1062863630 /nfs/dbraw/zinc/86/36/30/1062863630.db2.gz APTJYECAVHVAIE-AWEZNQCLSA-N 1 0 308.809 4.260 20 5 DIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC001460870723 1063109837 /nfs/dbraw/zinc/10/98/37/1063109837.db2.gz HQFQFMFSGQVFNM-YUIUBULTSA-N 1 0 308.381 4.273 20 5 DIBDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001460896047 1063122758 /nfs/dbraw/zinc/12/27/58/1063122758.db2.gz ODXHIEHTSPQIRF-DZGCQCFKSA-N 1 0 308.809 4.259 20 5 DIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC001460947139 1063154386 /nfs/dbraw/zinc/15/43/86/1063154386.db2.gz KEKCBWNGIXJPDR-QGZVFWFLSA-N 1 0 302.418 4.305 20 5 DIBDRO Cc1ccc(SCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001472771063 1063220230 /nfs/dbraw/zinc/22/02/30/1063220230.db2.gz MPGNEGCJHGUTPU-UHFFFAOYSA-N 1 0 316.426 4.127 20 5 DIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)cc1C ZINC001461061192 1063223470 /nfs/dbraw/zinc/22/34/70/1063223470.db2.gz CILFPCULOCVZDT-GDNBJRDFSA-N 1 0 310.397 4.405 20 5 DIBDRO C[C@H]([NH2+]Cc1cc2ccncc2s1)c1cccc([N+](=O)[O-])c1 ZINC001461063576 1063227260 /nfs/dbraw/zinc/22/72/60/1063227260.db2.gz IIZIWFCJQVCSNU-NSHDSACASA-N 1 0 313.382 4.055 20 5 DIBDRO C[C@H]([NH2+][C@H]1CCCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC001461063182 1063227571 /nfs/dbraw/zinc/22/75/71/1063227571.db2.gz DREDHXIXVLUMSJ-KSSFIOAISA-N 1 0 310.397 4.193 20 5 DIBDRO CC(C)[N@@H+]1CCCC[C@H]1CSc1ccc([N+](=O)[O-])cc1F ZINC001473014014 1063356575 /nfs/dbraw/zinc/35/65/75/1063356575.db2.gz LSQUGUVGSYAIAQ-ZDUSSCGKSA-N 1 0 312.410 4.089 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC001461253114 1063367439 /nfs/dbraw/zinc/36/74/39/1063367439.db2.gz DYTBHOZVSWSMDI-JTQLQIEISA-N 1 0 324.302 4.171 20 5 DIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC001461260129 1063372809 /nfs/dbraw/zinc/37/28/09/1063372809.db2.gz CGQRLELQQUUTAP-UHFFFAOYSA-N 1 0 302.418 4.230 20 5 DIBDRO Cc1c(C[NH2+]CC2(Cc3ccccc3)CCC2)cccc1[N+](=O)[O-] ZINC001461307790 1063405568 /nfs/dbraw/zinc/40/55/68/1063405568.db2.gz MHJWPKVVPRJDLB-UHFFFAOYSA-N 1 0 324.424 4.406 20 5 DIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC001473120355 1063422270 /nfs/dbraw/zinc/42/22/70/1063422270.db2.gz WNRQXXWMMNYHBD-LJQANCHMSA-N 1 0 324.424 4.364 20 5 DIBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](C2CC2)C2CCCCC2)cc1 ZINC001473121728 1063427068 /nfs/dbraw/zinc/42/70/68/1063427068.db2.gz WHAUJJYSLSRAOB-UHFFFAOYSA-N 1 0 318.417 4.161 20 5 DIBDRO CC(C)[N@H+](CCc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001473124832 1063429935 /nfs/dbraw/zinc/42/99/35/1063429935.db2.gz PPRCSDYTBBPZKL-UHFFFAOYSA-N 1 0 316.376 4.187 20 5 DIBDRO Cc1ccc(F)cc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461384360 1063464925 /nfs/dbraw/zinc/46/49/25/1063464925.db2.gz WIJLSEZHRXQMIZ-UHFFFAOYSA-N 1 0 322.767 4.028 20 5 DIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC001461419193 1063490007 /nfs/dbraw/zinc/49/00/07/1063490007.db2.gz ZNZLWCFTYOEQJP-LBPRGKRZSA-N 1 0 300.358 4.133 20 5 DIBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC001473184222 1063493526 /nfs/dbraw/zinc/49/35/26/1063493526.db2.gz DURDBAWANLGYFP-MNOVXSKESA-N 1 0 316.323 4.234 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C/C=C/C3CC3)s2)cc1 ZINC001461522648 1063555099 /nfs/dbraw/zinc/55/50/99/1063555099.db2.gz RPYDAJGXDWQWKH-OWOJBTEDSA-N 1 0 314.410 4.379 20 5 DIBDRO CC[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CC(F)(F)F ZINC001461577048 1063589233 /nfs/dbraw/zinc/58/92/33/1063589233.db2.gz BDSHEZXRDCSOTA-GFCCVEGCSA-N 1 0 318.339 4.280 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC2CCC1CC2 ZINC001461591960 1063601787 /nfs/dbraw/zinc/60/17/87/1063601787.db2.gz IMNXPWZGHTYBSD-UYSNPLJNSA-N 1 0 302.418 4.128 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCC=CCC3)o2)cc1 ZINC001461780392 1063712641 /nfs/dbraw/zinc/71/26/41/1063712641.db2.gz UIGQUGUIHMCGEJ-UHFFFAOYSA-N 1 0 312.369 4.443 20 5 DIBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC001461980236 1063855924 /nfs/dbraw/zinc/85/59/24/1063855924.db2.gz XFKCQZOXLSDWHP-QANKJYHBSA-N 1 0 302.418 4.304 20 5 DIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCC1CCCCC1 ZINC001461987934 1063858211 /nfs/dbraw/zinc/85/82/11/1063858211.db2.gz CFTKIVCSTALUEN-CQSZACIVSA-N 1 0 320.433 4.442 20 5 DIBDRO CCCOc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000557900864 1063902285 /nfs/dbraw/zinc/90/22/85/1063902285.db2.gz SFGMRDNSVHRVTK-CQSZACIVSA-N 1 0 314.385 4.234 20 5 DIBDRO CC(C)([NH2+]Cc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001462063633 1063910611 /nfs/dbraw/zinc/91/06/11/1063910611.db2.gz WDZLRUYGYYZLEN-UHFFFAOYSA-N 1 0 309.369 4.101 20 5 DIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/C1CC1 ZINC001261240589 1063914510 /nfs/dbraw/zinc/91/45/10/1063914510.db2.gz CMVDOKZUIXUIDL-VBROQKIQSA-N 1 0 306.431 4.021 20 5 DIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCc1ccccc1)CC2 ZINC000653748039 1064723868 /nfs/dbraw/zinc/72/38/68/1064723868.db2.gz ZCIHOOYQUGPXHZ-LJQANCHMSA-N 1 0 324.424 4.065 20 5 DIBDRO Cc1ccc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001306929985 1065209257 /nfs/dbraw/zinc/20/92/57/1065209257.db2.gz FENGHAHDYMTPLI-SFHVURJKSA-N 1 0 319.449 4.072 20 5 DIBDRO CC[NH+](CC)CCSc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001306973980 1065229973 /nfs/dbraw/zinc/22/99/73/1065229973.db2.gz CXXOQKJZNVZTLA-UHFFFAOYSA-N 1 0 323.245 4.336 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C1CC1)C1CCC(C)CC1 ZINC001307418343 1065380692 /nfs/dbraw/zinc/38/06/92/1065380692.db2.gz LKMGFXXIMQSCRP-UHFFFAOYSA-N 1 0 318.417 4.147 20 5 DIBDRO Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C(C)C)cc1[N+](=O)[O-] ZINC001307428024 1065387637 /nfs/dbraw/zinc/38/76/37/1065387637.db2.gz ACTQVKAOFVPIET-UHFFFAOYSA-N 1 0 316.376 4.453 20 5 DIBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001307444720 1065405538 /nfs/dbraw/zinc/40/55/38/1065405538.db2.gz YDUQWYVIQKYPAF-AWEZNQCLSA-N 1 0 314.360 4.032 20 5 DIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCCCCCC1 ZINC001307451217 1065409167 /nfs/dbraw/zinc/40/91/67/1065409167.db2.gz UPNSRTQYYPUWKO-UHFFFAOYSA-N 1 0 306.406 4.148 20 5 DIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC001307458868 1065413448 /nfs/dbraw/zinc/41/34/48/1065413448.db2.gz XICMGGXCMHQDBZ-KBPBESRZSA-N 1 0 306.406 4.145 20 5 DIBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307479711 1065425532 /nfs/dbraw/zinc/42/55/32/1065425532.db2.gz QFBZOOPDXZYBPA-GLKRBJQHSA-N 1 0 310.344 4.026 20 5 DIBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC001307519007 1065457677 /nfs/dbraw/zinc/45/76/77/1065457677.db2.gz JIUGZKGUZWNBEL-CJNGLKHVSA-N 1 0 316.426 4.109 20 5 DIBDRO C[C@]1(CCc2ccccc2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001307518500 1065457882 /nfs/dbraw/zinc/45/78/82/1065457882.db2.gz RDKREKLHBHUAEK-FQEVSTJZSA-N 1 0 324.424 4.440 20 5 DIBDRO CC(C)C[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001307558802 1065482513 /nfs/dbraw/zinc/48/25/13/1065482513.db2.gz SIQJJUHJKHBYST-QGZVFWFLSA-N 1 0 320.433 4.264 20 5 DIBDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001307622742 1065524102 /nfs/dbraw/zinc/52/41/02/1065524102.db2.gz VTLJLUIMOXQUTA-HNNXBMFYSA-N 1 0 306.406 4.004 20 5 DIBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001307626452 1065524787 /nfs/dbraw/zinc/52/47/87/1065524787.db2.gz XGXQQNZRMQKPIG-BDAKNGLRSA-N 1 0 305.205 4.426 20 5 DIBDRO CC[C@H]([NH2+]Cc1cccc2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC001307633978 1065531421 /nfs/dbraw/zinc/53/14/21/1065531421.db2.gz SRGLSKGJYAHVJC-SFHVURJKSA-N 1 0 321.380 4.384 20 5 DIBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001307661159 1065549501 /nfs/dbraw/zinc/54/95/01/1065549501.db2.gz ZNPKCIWAVBOIKG-GOSISDBHSA-N 1 0 310.397 4.240 20 5 DIBDRO Cc1c(C[N@H+](C)Cc2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC001307681029 1065558620 /nfs/dbraw/zinc/55/86/20/1065558620.db2.gz MNKSBGHRCOQOLX-UHFFFAOYSA-N 1 0 322.767 4.328 20 5 DIBDRO CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H]1C ZINC001307703645 1065572313 /nfs/dbraw/zinc/57/23/13/1065572313.db2.gz WRKMWQOYPSDKNY-ZIAGYGMSSA-N 1 0 306.406 4.002 20 5 DIBDRO C[C@@H](CCc1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001307714389 1065582254 /nfs/dbraw/zinc/58/22/54/1065582254.db2.gz ASXPYZKKBFYDFQ-INIZCTEOSA-N 1 0 312.413 4.090 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC001307841660 1065648515 /nfs/dbraw/zinc/64/85/15/1065648515.db2.gz XSDARXYSHTVQHO-CQSZACIVSA-N 1 0 320.458 4.326 20 5 DIBDRO CCC1(CC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001307928946 1065687021 /nfs/dbraw/zinc/68/70/21/1065687021.db2.gz PFUFPADUYKXVKP-UHFFFAOYSA-N 1 0 306.406 4.006 20 5 DIBDRO CCC(CC)CCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001307967367 1065702489 /nfs/dbraw/zinc/70/24/89/1065702489.db2.gz CFEJHULCCUUXEF-UHFFFAOYSA-N 1 0 308.422 4.252 20 5 DIBDRO CC[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001307990191 1065714279 /nfs/dbraw/zinc/71/42/79/1065714279.db2.gz NOEXPPJWLPQWIJ-SFHVURJKSA-N 1 0 316.376 4.191 20 5 DIBDRO CC[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001307990190 1065715183 /nfs/dbraw/zinc/71/51/83/1065715183.db2.gz NOEXPPJWLPQWIJ-GOSISDBHSA-N 1 0 316.376 4.191 20 5 DIBDRO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001308070463 1065751380 /nfs/dbraw/zinc/75/13/80/1065751380.db2.gz NASXHEJIOAEALU-ACJLOTCBSA-N 1 0 314.360 4.317 20 5 DIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(F)(C2CC2)CC1 ZINC001308129522 1065773923 /nfs/dbraw/zinc/77/39/23/1065773923.db2.gz CQPKAOMELMNDQM-ZDUSSCGKSA-N 1 0 306.381 4.178 20 5 DIBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001308247152 1065851104 /nfs/dbraw/zinc/85/11/04/1065851104.db2.gz SMEJLTZLTLJAMU-UHFFFAOYSA-N 1 0 312.413 4.279 20 5 DIBDRO CC1(C)CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001308347754 1065929255 /nfs/dbraw/zinc/92/92/55/1065929255.db2.gz LBIJGRPWUPZMRR-CQSZACIVSA-N 1 0 310.825 4.349 20 5 DIBDRO Cc1cc2cc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)oc2cc1C ZINC001308356450 1065936537 /nfs/dbraw/zinc/93/65/37/1065936537.db2.gz FQIANROOIFBBQW-UHFFFAOYSA-N 1 0 324.380 4.290 20 5 DIBDRO Cc1c(C[NH2+]C[C@@]2(C)CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC001308360934 1065939021 /nfs/dbraw/zinc/93/90/21/1065939021.db2.gz RTYRBNNDTKGJAF-HXUWFJFHSA-N 1 0 324.424 4.287 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC001308436528 1065986663 /nfs/dbraw/zinc/98/66/63/1065986663.db2.gz VIVOCRLFFJPMIE-FLXTVUHUSA-N 1 0 314.429 4.414 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]3C3CCC3)o2)cc1 ZINC001308443307 1065990171 /nfs/dbraw/zinc/99/01/71/1065990171.db2.gz GFHGFBIRVLAYEX-DLBZAZTESA-N 1 0 312.369 4.133 20 5 DIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1C[C@H](C)C[C@@H](C)C1 ZINC001308459638 1066001868 /nfs/dbraw/zinc/00/18/68/1066001868.db2.gz IXLAFXLDOASPJH-ZIAGYGMSSA-N 1 0 320.433 4.155 20 5 DIBDRO C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC001308534525 1066052978 /nfs/dbraw/zinc/05/29/78/1066052978.db2.gz BMTJDVUDIAIIQV-GFCCVEGCSA-N 1 0 320.339 4.426 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C/C=C/Cl)s2)cc1 ZINC001308542395 1066059612 /nfs/dbraw/zinc/05/96/12/1066059612.db2.gz AOTQVJKKIOQRRF-UNXLUWIOSA-N 1 0 308.790 4.165 20 5 DIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@H]43)o2)cc1 ZINC001308548250 1066062022 /nfs/dbraw/zinc/06/20/22/1066062022.db2.gz YQZTZMQPLZLEFP-KBRIMQKVSA-N 1 0 312.369 4.133 20 5 DIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000903286954 1066103366 /nfs/dbraw/zinc/10/33/66/1066103366.db2.gz KDDQXSGDALCHPU-OLZOCXBDSA-N 1 0 300.358 4.021 20 5 DIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC001308608973 1066116351 /nfs/dbraw/zinc/11/63/51/1066116351.db2.gz MZUQYOZFPJFSHC-LIRRHRJNSA-N 1 0 310.397 4.405 20 5 DIBDRO CC(C)=CCC[C@@H](C)CCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001308740392 1066213308 /nfs/dbraw/zinc/21/33/08/1066213308.db2.gz JNKJGUDZJCTJNN-MRXNPFEDSA-N 1 0 319.449 4.133 20 5 DIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C2CCCC2)C1 ZINC001308809599 1066286994 /nfs/dbraw/zinc/28/69/94/1066286994.db2.gz OBHPYBXJZBNIBX-NTEUORMPSA-N 1 0 300.402 4.120 20 5 DIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC001308851752 1066329109 /nfs/dbraw/zinc/32/91/09/1066329109.db2.gz MCLKPPNYNBNZEL-CWRNSKLLSA-N 1 0 304.434 4.330 20 5 DIBDRO C[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC001308928889 1066403316 /nfs/dbraw/zinc/40/33/16/1066403316.db2.gz MTQBBKCFECAIQZ-YGONEPDPSA-N 1 0 314.360 4.331 20 5 DIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001308936194 1066407436 /nfs/dbraw/zinc/40/74/36/1066407436.db2.gz MHJGCVSTOSGPKS-UONOGXRCSA-N 1 0 316.376 4.406 20 5 DIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001308975457 1066428198 /nfs/dbraw/zinc/42/81/98/1066428198.db2.gz UIKIEWBPVYJOTR-PSOLEGPJSA-N 1 0 314.429 4.084 20 5 DIBDRO