smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000020669459 484855101 /nfs/dbraw/zinc/85/51/01/484855101.db2.gz KEMZZRSLGOEHBZ-UHFFFAOYSA-N 1 2 371.419 -0.548 20 5 FBBDLO CS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000025700583 243107140 /nfs/dbraw/zinc/10/71/40/243107140.db2.gz ZYCKTPRCLCDROV-CYBMUJFWSA-N 1 2 359.404 -0.088 20 5 FBBDLO CS(=O)(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000025700587 243107515 /nfs/dbraw/zinc/10/75/15/243107515.db2.gz ZYCKTPRCLCDROV-ZDUSSCGKSA-N 1 2 359.404 -0.088 20 5 FBBDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026596560 484389038 /nfs/dbraw/zinc/38/90/38/484389038.db2.gz YINBUFOIRCYDMB-LLVKDONJSA-N 1 2 351.363 -0.211 20 5 FBBDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026596563 484389046 /nfs/dbraw/zinc/38/90/46/484389046.db2.gz YINBUFOIRCYDMB-NSHDSACASA-N 1 2 351.363 -0.211 20 5 FBBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000026982852 484391411 /nfs/dbraw/zinc/39/14/11/484391411.db2.gz KCLWMOUKUSRMQM-UHFFFAOYSA-N 1 2 371.361 -0.183 20 5 FBBDLO O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)cn1 ZINC000027210362 484390824 /nfs/dbraw/zinc/39/08/24/484390824.db2.gz ATHOYSCPPVVQKP-OAHLLOKOSA-N 1 2 351.407 -0.195 20 5 FBBDLO O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)cn1 ZINC000027210365 483495043 /nfs/dbraw/zinc/49/50/43/483495043.db2.gz ATHOYSCPPVVQKP-HNNXBMFYSA-N 1 2 351.407 -0.195 20 5 FBBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029822033 484394345 /nfs/dbraw/zinc/39/43/45/484394345.db2.gz QHFIUMZMZKFUFP-GFCCVEGCSA-N 1 2 352.395 -0.302 20 5 FBBDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029822035 484394840 /nfs/dbraw/zinc/39/48/40/484394840.db2.gz QHFIUMZMZKFUFP-LBPRGKRZSA-N 1 2 352.395 -0.302 20 5 FBBDLO CN(CCO)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000035574343 484582621 /nfs/dbraw/zinc/58/26/21/484582621.db2.gz IJRDBLMDNOJURI-UHFFFAOYSA-N 1 2 358.420 -0.041 20 5 FBBDLO CN(CC(N)=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000043272409 484408983 /nfs/dbraw/zinc/40/89/83/484408983.db2.gz XTOPITZFIXLMIF-UHFFFAOYSA-N 1 2 371.419 -0.548 20 5 FBBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000043285671 484409126 /nfs/dbraw/zinc/40/91/26/484409126.db2.gz HTYDBDBBYKWNBQ-UHFFFAOYSA-N 1 2 371.361 -0.183 20 5 FBBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000044695393 483682878 /nfs/dbraw/zinc/68/28/78/483682878.db2.gz JSIVMRQDCSTNTN-UHFFFAOYSA-N 1 2 371.361 -0.183 20 5 FBBDLO Cc1nn(C)c(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000047331098 483603012 /nfs/dbraw/zinc/60/30/12/483603012.db2.gz UBJITZFAVDIVRX-UHFFFAOYSA-N 1 2 352.395 -0.382 20 5 FBBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000052129218 484240221 /nfs/dbraw/zinc/24/02/21/484240221.db2.gz DENOGDFCEPQFIO-UHFFFAOYSA-N 1 2 371.419 -0.182 20 5 FBBDLO CC(=O)N1CC[NH+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052129219 484242739 /nfs/dbraw/zinc/24/27/39/484242739.db2.gz ZIQAIUQJAYYOTQ-UHFFFAOYSA-N 1 2 371.419 -0.182 20 5 FBBDLO NC(=O)NC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000052741646 484272550 /nfs/dbraw/zinc/27/25/50/484272550.db2.gz UMOKHJLMNUVQSF-UHFFFAOYSA-N 1 2 355.376 -0.001 20 5 FBBDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000053797780 484382158 /nfs/dbraw/zinc/38/21/58/484382158.db2.gz RFKJKMJXKLQZPU-UHFFFAOYSA-N 1 2 352.395 -0.150 20 5 FBBDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000053797780 484382151 /nfs/dbraw/zinc/38/21/51/484382151.db2.gz RFKJKMJXKLQZPU-UHFFFAOYSA-N 1 2 352.395 -0.150 20 5 FBBDLO NC(=O)C[N@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000054389043 484419557 /nfs/dbraw/zinc/41/95/57/484419557.db2.gz WDTGASAHFPSXIT-UHFFFAOYSA-N 1 2 357.392 -0.760 20 5 FBBDLO NC(=O)C[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000054389043 484419553 /nfs/dbraw/zinc/41/95/53/484419553.db2.gz WDTGASAHFPSXIT-UHFFFAOYSA-N 1 2 357.392 -0.760 20 5 FBBDLO CNS(=O)(=O)c1ccc(N2CCC[N@@H+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000054389054 484419023 /nfs/dbraw/zinc/41/90/23/484419023.db2.gz JEGHMYHGNUVEBV-UHFFFAOYSA-N 1 2 371.419 -0.500 20 5 FBBDLO CNS(=O)(=O)c1ccc(N2CCC[N@H+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000054389054 484419017 /nfs/dbraw/zinc/41/90/17/484419017.db2.gz JEGHMYHGNUVEBV-UHFFFAOYSA-N 1 2 371.419 -0.500 20 5 FBBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057062744 484951574 /nfs/dbraw/zinc/95/15/74/484951574.db2.gz IIYNROPVVWZBBK-UHFFFAOYSA-N 1 2 360.378 -0.480 20 5 FBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057063089 484424817 /nfs/dbraw/zinc/42/48/17/484424817.db2.gz OLUUBUVPXWHQLY-UHFFFAOYSA-N 1 2 360.378 -0.480 20 5 FBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000057210815 484425273 /nfs/dbraw/zinc/42/52/73/484425273.db2.gz VYITWZLFCKGHQW-CYBMUJFWSA-N 1 2 356.408 -0.490 20 5 FBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000057210817 484425289 /nfs/dbraw/zinc/42/52/89/484425289.db2.gz VYITWZLFCKGHQW-ZDUSSCGKSA-N 1 2 356.408 -0.490 20 5 FBBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2nccc2[N+](=O)[O-])CC1 ZINC000057516027 484964883 /nfs/dbraw/zinc/96/48/83/484964883.db2.gz SHQOQYHXCKHLEV-UHFFFAOYSA-N 1 2 371.361 -0.183 20 5 FBBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC(O)C3)c([N+](=O)[O-])c2)CC1 ZINC000057839115 485197184 /nfs/dbraw/zinc/19/71/84/485197184.db2.gz OBXKQEYKZGRRPK-UHFFFAOYSA-N 1 2 356.404 -0.288 20 5 FBBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000065515212 484442302 /nfs/dbraw/zinc/44/23/02/484442302.db2.gz RNJVTCMRKJSUOJ-UHFFFAOYSA-N 1 2 364.358 -0.001 20 5 FBBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000065515212 484442292 /nfs/dbraw/zinc/44/22/92/484442292.db2.gz RNJVTCMRKJSUOJ-UHFFFAOYSA-N 1 2 364.358 -0.001 20 5 FBBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000065787482 484444817 /nfs/dbraw/zinc/44/48/17/484444817.db2.gz GBGPEPSHIGMBSX-UHFFFAOYSA-N 1 2 374.405 -0.090 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000065872473 484707140 /nfs/dbraw/zinc/70/71/40/484707140.db2.gz MWOHSTAZMNFIBG-UHFFFAOYSA-N 1 2 374.405 -0.172 20 5 FBBDLO CNc1ccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000066452718 483430390 /nfs/dbraw/zinc/43/03/90/483430390.db2.gz BSPXJALUSDMFFH-UHFFFAOYSA-N 1 2 365.390 -0.185 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000066452779 484446496 /nfs/dbraw/zinc/44/64/96/484446496.db2.gz CGPFTUNYWJEJAC-UHFFFAOYSA-N 1 2 366.374 -0.218 20 5 FBBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067137531 484451720 /nfs/dbraw/zinc/45/17/20/484451720.db2.gz PLKSQHKLVIRDGS-UHFFFAOYSA-N 1 2 373.373 -0.191 20 5 FBBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067137531 484451715 /nfs/dbraw/zinc/45/17/15/484451715.db2.gz PLKSQHKLVIRDGS-UHFFFAOYSA-N 1 2 373.373 -0.191 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000068179391 484778637 /nfs/dbraw/zinc/77/86/37/484778637.db2.gz VCOJGGINTVDGOF-NSHDSACASA-N 1 2 364.406 -0.089 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000068179394 484777789 /nfs/dbraw/zinc/77/77/89/484777789.db2.gz VCOJGGINTVDGOF-LLVKDONJSA-N 1 2 364.406 -0.089 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000068182407 243118884 /nfs/dbraw/zinc/11/88/84/243118884.db2.gz ZFQXBSBUOPANFE-UHFFFAOYSA-N 1 2 352.395 -0.278 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000068182407 243118877 /nfs/dbraw/zinc/11/88/77/243118877.db2.gz ZFQXBSBUOPANFE-UHFFFAOYSA-N 1 2 352.395 -0.278 20 5 FBBDLO COc1ccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000068518226 484462528 /nfs/dbraw/zinc/46/25/28/484462528.db2.gz UMNCIBRDGZDDJD-UHFFFAOYSA-N 1 2 366.374 -0.218 20 5 FBBDLO CNC(=O)C[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000068660440 484464377 /nfs/dbraw/zinc/46/43/77/484464377.db2.gz HKNNKAPIULJOHS-UHFFFAOYSA-N 1 2 357.392 -0.890 20 5 FBBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000075696140 483877707 /nfs/dbraw/zinc/87/77/07/483877707.db2.gz MWOUYUYIKKVLEP-LBPRGKRZSA-N 1 2 354.411 -0.009 20 5 FBBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000075696143 483877653 /nfs/dbraw/zinc/87/76/53/483877653.db2.gz MWOUYUYIKKVLEP-GFCCVEGCSA-N 1 2 354.411 -0.009 20 5 FBBDLO CC(C)NC(=O)CN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090512387 484343064 /nfs/dbraw/zinc/34/30/64/484343064.db2.gz AFIVRYBUEXRWNB-UHFFFAOYSA-N 1 2 351.407 -0.101 20 5 FBBDLO CC(C)NC(=O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090512387 484343056 /nfs/dbraw/zinc/34/30/56/484343056.db2.gz AFIVRYBUEXRWNB-UHFFFAOYSA-N 1 2 351.407 -0.101 20 5 FBBDLO O=C(C[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000097681436 243132513 /nfs/dbraw/zinc/13/25/13/243132513.db2.gz TZCKUPDWXNTPBT-UHFFFAOYSA-N 1 2 364.406 -0.052 20 5 FBBDLO NS(=O)(=O)c1ccc(NCCC[N@H+]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000117642357 483877301 /nfs/dbraw/zinc/87/73/01/483877301.db2.gz GIPVNTPCVITXBQ-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO NS(=O)(=O)c1ccc(NCCC[N@@H+]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000117642357 483877299 /nfs/dbraw/zinc/87/72/99/483877299.db2.gz GIPVNTPCVITXBQ-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000120347138 483830576 /nfs/dbraw/zinc/83/05/76/483830576.db2.gz FKTUSYCKPHCAKI-NSHDSACASA-N 1 2 350.379 -0.397 20 5 FBBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000120347283 483830425 /nfs/dbraw/zinc/83/04/25/483830425.db2.gz FKTUSYCKPHCAKI-LLVKDONJSA-N 1 2 350.379 -0.397 20 5 FBBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000126537915 243172188 /nfs/dbraw/zinc/17/21/88/243172188.db2.gz DTMVOQKFCSYYMB-ZDUSSCGKSA-N 1 2 364.406 -0.054 20 5 FBBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000126538140 243173102 /nfs/dbraw/zinc/17/31/02/243173102.db2.gz DTMVOQKFCSYYMB-CYBMUJFWSA-N 1 2 364.406 -0.054 20 5 FBBDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000126986375 483432236 /nfs/dbraw/zinc/43/22/36/483432236.db2.gz JXEWXUBJCKSBBA-UHFFFAOYSA-N 1 2 352.395 -0.196 20 5 FBBDLO O=C(CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)N1CCOCC1 ZINC000157434261 483749842 /nfs/dbraw/zinc/74/98/42/483749842.db2.gz YIFUMCXMNLAQNG-UHFFFAOYSA-N 1 2 352.395 -0.732 20 5 FBBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000159482556 243198258 /nfs/dbraw/zinc/19/82/58/243198258.db2.gz JCAUXCYNXJCURY-UHFFFAOYSA-N 1 2 357.334 -0.043 20 5 FBBDLO O=C(CN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCCC1 ZINC000159700970 484149219 /nfs/dbraw/zinc/14/92/19/484149219.db2.gz CMFJFPTZCWLTCH-UHFFFAOYSA-N 1 2 363.418 -0.004 20 5 FBBDLO O=C(C[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCCC1 ZINC000159700970 484149211 /nfs/dbraw/zinc/14/92/11/484149211.db2.gz CMFJFPTZCWLTCH-UHFFFAOYSA-N 1 2 363.418 -0.004 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000170381435 243204071 /nfs/dbraw/zinc/20/40/71/243204071.db2.gz BVPKNRDRPCJAAW-UHFFFAOYSA-N 1 2 352.347 -0.322 20 5 FBBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846910 485142391 /nfs/dbraw/zinc/14/23/91/485142391.db2.gz VYRZXIRXXHCTFU-AWEZNQCLSA-N 1 2 368.438 -0.050 20 5 FBBDLO COCCCNC(=O)[C@H](C)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846910 485142385 /nfs/dbraw/zinc/14/23/85/485142385.db2.gz VYRZXIRXXHCTFU-AWEZNQCLSA-N 1 2 368.438 -0.050 20 5 FBBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846917 485141852 /nfs/dbraw/zinc/14/18/52/485141852.db2.gz VYRZXIRXXHCTFU-CQSZACIVSA-N 1 2 368.438 -0.050 20 5 FBBDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846917 485141845 /nfs/dbraw/zinc/14/18/45/485141845.db2.gz VYRZXIRXXHCTFU-CQSZACIVSA-N 1 2 368.438 -0.050 20 5 FBBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000176107183 243220715 /nfs/dbraw/zinc/22/07/15/243220715.db2.gz XMDQLGDSNBEHPF-ZDUSSCGKSA-N 1 2 364.406 -0.054 20 5 FBBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000176107195 243221136 /nfs/dbraw/zinc/22/11/36/243221136.db2.gz XMDQLGDSNBEHPF-CYBMUJFWSA-N 1 2 364.406 -0.054 20 5 FBBDLO O=C(C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)N1CCOCC1 ZINC000176196468 483826765 /nfs/dbraw/zinc/82/67/65/483826765.db2.gz VVEOKSHTBUIWAL-UHFFFAOYSA-N 1 2 352.395 -0.732 20 5 FBBDLO O=C(CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)N1CCOCC1 ZINC000176196468 483826762 /nfs/dbraw/zinc/82/67/62/483826762.db2.gz VVEOKSHTBUIWAL-UHFFFAOYSA-N 1 2 352.395 -0.732 20 5 FBBDLO O=C(CN1CCOCC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176201710 243219498 /nfs/dbraw/zinc/21/94/98/243219498.db2.gz PQVINPGXZFUAHB-UHFFFAOYSA-N 1 2 352.395 -0.732 20 5 FBBDLO O=C(C(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000176210746 483826841 /nfs/dbraw/zinc/82/68/41/483826841.db2.gz UWQBJQBNUITUDK-UHFFFAOYSA-N 1 2 350.379 -0.442 20 5 FBBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230531 483827848 /nfs/dbraw/zinc/82/78/48/483827848.db2.gz ILJKPIJTSHYESI-AWEZNQCLSA-N 1 2 368.438 -0.050 20 5 FBBDLO COCCCNC(=O)[C@H](C)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230531 483827846 /nfs/dbraw/zinc/82/78/46/483827846.db2.gz ILJKPIJTSHYESI-AWEZNQCLSA-N 1 2 368.438 -0.050 20 5 FBBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230548 483827952 /nfs/dbraw/zinc/82/79/52/483827952.db2.gz ILJKPIJTSHYESI-CQSZACIVSA-N 1 2 368.438 -0.050 20 5 FBBDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230548 483827950 /nfs/dbraw/zinc/82/79/50/483827950.db2.gz ILJKPIJTSHYESI-CQSZACIVSA-N 1 2 368.438 -0.050 20 5 FBBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000178610517 243227910 /nfs/dbraw/zinc/22/79/10/243227910.db2.gz VCYQNLYEFHJZFJ-CQSZACIVSA-N 1 2 357.374 -0.095 20 5 FBBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000178610527 243227616 /nfs/dbraw/zinc/22/76/16/243227616.db2.gz VCYQNLYEFHJZFJ-AWEZNQCLSA-N 1 2 357.374 -0.095 20 5 FBBDLO Cc1cc(C(=O)NCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000184083501 243239660 /nfs/dbraw/zinc/23/96/60/243239660.db2.gz GEPCJEQYCOJZON-CQSZACIVSA-N 1 2 361.402 -0.251 20 5 FBBDLO Cc1cc(C(=O)NCC(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000184083518 243241075 /nfs/dbraw/zinc/24/10/75/243241075.db2.gz GEPCJEQYCOJZON-AWEZNQCLSA-N 1 2 361.402 -0.251 20 5 FBBDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193152122 484337970 /nfs/dbraw/zinc/33/79/70/484337970.db2.gz LUQCEWLBYYNJLI-UHFFFAOYSA-N 1 2 352.395 -0.196 20 5 FBBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193155548 484339561 /nfs/dbraw/zinc/33/95/61/484339561.db2.gz HRRGPHWYHWBKNH-NSHDSACASA-N 1 2 350.379 -0.397 20 5 FBBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193155561 484339595 /nfs/dbraw/zinc/33/95/95/484339595.db2.gz HRRGPHWYHWBKNH-LLVKDONJSA-N 1 2 350.379 -0.397 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c([N+](=O)[O-])n1 ZINC000261941876 243290861 /nfs/dbraw/zinc/29/08/61/243290861.db2.gz DUTKECFNEGEUTG-JTQLQIEISA-N 1 2 369.407 -0.120 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c([N+](=O)[O-])n1 ZINC000261941877 243291822 /nfs/dbraw/zinc/29/18/22/243291822.db2.gz DUTKECFNEGEUTG-SNVBAGLBSA-N 1 2 369.407 -0.120 20 5 FBBDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000264704775 483531658 /nfs/dbraw/zinc/53/16/58/483531658.db2.gz CUOQMWZYZTVUHG-UHFFFAOYSA-N 1 2 369.378 -0.566 20 5 FBBDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264715357 483537292 /nfs/dbraw/zinc/53/72/92/483537292.db2.gz FIWQLHVSMUJHMV-UHFFFAOYSA-N 1 2 369.378 -0.485 20 5 FBBDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000264773279 483597693 /nfs/dbraw/zinc/59/76/93/483597693.db2.gz QAOILMZBTQHSFG-UHFFFAOYSA-N 1 2 355.351 -0.875 20 5 FBBDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000264812669 483777875 /nfs/dbraw/zinc/77/78/75/483777875.db2.gz XHWAZHKCXMXQDW-UHFFFAOYSA-N 1 2 355.351 -0.875 20 5 FBBDLO COC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000264863709 483820224 /nfs/dbraw/zinc/82/02/24/483820224.db2.gz SRWKFAWIBRCSLF-CYBMUJFWSA-N 1 2 359.404 -0.092 20 5 FBBDLO COC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000264863711 483820342 /nfs/dbraw/zinc/82/03/42/483820342.db2.gz SRWKFAWIBRCSLF-ZDUSSCGKSA-N 1 2 359.404 -0.092 20 5 FBBDLO COC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264881868 483824211 /nfs/dbraw/zinc/82/42/11/483824211.db2.gz YIUZOKYNYCQPJO-GFCCVEGCSA-N 1 2 359.404 -0.092 20 5 FBBDLO COC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264881872 483825536 /nfs/dbraw/zinc/82/55/36/483825536.db2.gz YIUZOKYNYCQPJO-LBPRGKRZSA-N 1 2 359.404 -0.092 20 5 FBBDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000265447252 484216398 /nfs/dbraw/zinc/21/63/98/484216398.db2.gz JYQNOLARBGSBBM-LLVKDONJSA-N 1 2 352.347 -0.149 20 5 FBBDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000265447253 484216545 /nfs/dbraw/zinc/21/65/45/484216545.db2.gz JYQNOLARBGSBBM-NSHDSACASA-N 1 2 352.347 -0.149 20 5 FBBDLO Cc1n[nH]c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000265563944 484242769 /nfs/dbraw/zinc/24/27/69/484242769.db2.gz FPIHUUYHZPQAFZ-LLVKDONJSA-N 1 2 366.378 -0.711 20 5 FBBDLO Cc1n[nH]c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000265563946 484241688 /nfs/dbraw/zinc/24/16/88/484241688.db2.gz FPIHUUYHZPQAFZ-NSHDSACASA-N 1 2 366.378 -0.711 20 5 FBBDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265658016 484257677 /nfs/dbraw/zinc/25/76/77/484257677.db2.gz OHWLTCYOSMFJEN-LLVKDONJSA-N 1 2 351.363 -0.414 20 5 FBBDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000265658020 484259906 /nfs/dbraw/zinc/25/99/06/484259906.db2.gz OHWLTCYOSMFJEN-NSHDSACASA-N 1 2 351.363 -0.414 20 5 FBBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000265874390 484270959 /nfs/dbraw/zinc/27/09/59/484270959.db2.gz NCGFLUUCKGYBAS-UHFFFAOYSA-N 1 2 361.358 -0.096 20 5 FBBDLO O=C(CN1CCOCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266011886 484281283 /nfs/dbraw/zinc/28/12/83/484281283.db2.gz NNWAEMIOOOKKGH-UHFFFAOYSA-N 1 2 352.395 -0.732 20 5 FBBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(CO)CO)c([N+](=O)[O-])c2)CC1 ZINC000266156132 483811312 /nfs/dbraw/zinc/81/13/12/483811312.db2.gz VDGRRZHWWXSLQE-UHFFFAOYSA-N 1 2 374.419 -0.704 20 5 FBBDLO CNC(=O)c1ccc(N2CC[NH+](CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000266184582 483817909 /nfs/dbraw/zinc/81/79/09/483817909.db2.gz DHUVJIANUZZKHQ-UHFFFAOYSA-N 1 2 371.419 -0.635 20 5 FBBDLO NS(=O)(=O)CC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000266219344 483823998 /nfs/dbraw/zinc/82/39/98/483823998.db2.gz QAPJITPJLCJCHH-UHFFFAOYSA-N 1 2 360.421 -0.286 20 5 FBBDLO O=C([C@@H]1CCCO1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266469435 483873373 /nfs/dbraw/zinc/87/33/73/483873373.db2.gz RIWNUTYDDBVNIQ-KBPBESRZSA-N 1 2 353.379 -0.525 20 5 FBBDLO O=C([C@@H]1CCCO1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266469437 483873216 /nfs/dbraw/zinc/87/32/16/483873216.db2.gz RIWNUTYDDBVNIQ-KGLIPLIRSA-N 1 2 353.379 -0.525 20 5 FBBDLO O=C([C@H]1CCCO1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266469440 483873517 /nfs/dbraw/zinc/87/35/17/483873517.db2.gz RIWNUTYDDBVNIQ-UONOGXRCSA-N 1 2 353.379 -0.525 20 5 FBBDLO O=C([C@H]1CCCO1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266469442 483873358 /nfs/dbraw/zinc/87/33/58/483873358.db2.gz RIWNUTYDDBVNIQ-ZIAGYGMSSA-N 1 2 353.379 -0.525 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266728611 483881934 /nfs/dbraw/zinc/88/19/34/483881934.db2.gz NXRODDJUJDGHGS-UHFFFAOYSA-N 1 2 352.395 -0.102 20 5 FBBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000266781618 483891066 /nfs/dbraw/zinc/89/10/66/483891066.db2.gz SUZUICDDMZWIPS-UHFFFAOYSA-N 1 2 351.363 -0.835 20 5 FBBDLO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1 ZINC000266829768 484004803 /nfs/dbraw/zinc/00/48/03/484004803.db2.gz CEGOCHYAKXVIFP-UHFFFAOYSA-N 1 2 374.419 -0.109 20 5 FBBDLO NS(=O)(=O)CCN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000266862534 484043030 /nfs/dbraw/zinc/04/30/30/484043030.db2.gz LBJPXJRFSSWFFK-UHFFFAOYSA-N 1 2 358.420 -0.120 20 5 FBBDLO NS(=O)(=O)CCN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000266878697 484053472 /nfs/dbraw/zinc/05/34/72/484053472.db2.gz VJFJRBZWJBAWSD-UHFFFAOYSA-N 1 2 358.420 -0.120 20 5 FBBDLO NC(=O)c1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000266880639 484053817 /nfs/dbraw/zinc/05/38/17/484053817.db2.gz WUGDRRUJKACEJE-UHFFFAOYSA-N 1 2 371.419 -0.900 20 5 FBBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000267518970 484118311 /nfs/dbraw/zinc/11/83/11/484118311.db2.gz OQAWGEXSAMCJAK-UHFFFAOYSA-N 1 2 371.419 -0.372 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267523244 484118267 /nfs/dbraw/zinc/11/82/67/484118267.db2.gz HAIQQUFPHRJSPE-GFCCVEGCSA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267523245 243576633 /nfs/dbraw/zinc/57/66/33/243576633.db2.gz HAIQQUFPHRJSPE-LBPRGKRZSA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000267527100 484117599 /nfs/dbraw/zinc/11/75/99/484117599.db2.gz ISMBMBNEGYFQKQ-CYBMUJFWSA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000267527101 484117799 /nfs/dbraw/zinc/11/77/99/484117799.db2.gz ISMBMBNEGYFQKQ-ZDUSSCGKSA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](O)C[NH+]1CCOCC1 ZINC000267615643 484147069 /nfs/dbraw/zinc/14/70/69/484147069.db2.gz PCORTSINPXVFEL-AWEZNQCLSA-N 1 2 352.391 -0.181 20 5 FBBDLO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](O)C[NH+]1CCOCC1 ZINC000267615644 484146900 /nfs/dbraw/zinc/14/69/00/484146900.db2.gz PCORTSINPXVFEL-CQSZACIVSA-N 1 2 352.391 -0.181 20 5 FBBDLO Cc1nn(CCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000267716758 484173722 /nfs/dbraw/zinc/17/37/22/484173722.db2.gz RRYZIOLZYYFJAZ-AWEZNQCLSA-N 1 2 369.422 -0.050 20 5 FBBDLO Cc1nn(CCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000267716760 484176137 /nfs/dbraw/zinc/17/61/37/484176137.db2.gz RRYZIOLZYYFJAZ-CQSZACIVSA-N 1 2 369.422 -0.050 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267737629 484190665 /nfs/dbraw/zinc/19/06/65/484190665.db2.gz VCAPKVNSYKEJIP-CYBMUJFWSA-N 1 2 355.395 -0.359 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267737631 484192343 /nfs/dbraw/zinc/19/23/43/484192343.db2.gz VCAPKVNSYKEJIP-ZDUSSCGKSA-N 1 2 355.395 -0.359 20 5 FBBDLO NS(=O)(=O)CCN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267949475 484478545 /nfs/dbraw/zinc/47/85/45/484478545.db2.gz PZPSKMOZRBLPDF-UHFFFAOYSA-N 1 2 358.420 -0.120 20 5 FBBDLO Cc1c(C(=O)N2CC[NH+](CCO)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000268008373 484505620 /nfs/dbraw/zinc/50/56/20/484505620.db2.gz YLWLUPFYFZAQOB-UHFFFAOYSA-N 1 2 372.403 -0.699 20 5 FBBDLO COc1ccc(OCC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000269006069 484561378 /nfs/dbraw/zinc/56/13/78/484561378.db2.gz LINSBNCLSFPQNI-LLVKDONJSA-N 1 2 364.358 -0.375 20 5 FBBDLO COc1ccc(OCC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000269006069 484561374 /nfs/dbraw/zinc/56/13/74/484561374.db2.gz LINSBNCLSFPQNI-LLVKDONJSA-N 1 2 364.358 -0.375 20 5 FBBDLO COc1ccc(OCC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000269006071 484561151 /nfs/dbraw/zinc/56/11/51/484561151.db2.gz LINSBNCLSFPQNI-NSHDSACASA-N 1 2 364.358 -0.375 20 5 FBBDLO COc1ccc(OCC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000269006071 484561144 /nfs/dbraw/zinc/56/11/44/484561144.db2.gz LINSBNCLSFPQNI-NSHDSACASA-N 1 2 364.358 -0.375 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269078940 483903536 /nfs/dbraw/zinc/90/35/36/483903536.db2.gz CEZWTAXGSUJWPY-CYBMUJFWSA-N 1 2 356.383 -0.874 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269078942 483903747 /nfs/dbraw/zinc/90/37/47/483903747.db2.gz CEZWTAXGSUJWPY-ZDUSSCGKSA-N 1 2 356.383 -0.874 20 5 FBBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000269084268 483903313 /nfs/dbraw/zinc/90/33/13/483903313.db2.gz DXWPWTJUOLYZFJ-UHFFFAOYSA-N 1 2 353.383 -0.618 20 5 FBBDLO CC(=O)N1CC[NH+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000269148776 483905809 /nfs/dbraw/zinc/90/58/09/483905809.db2.gz KUJOYBPCJQCDEE-UHFFFAOYSA-N 1 2 371.419 -0.182 20 5 FBBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000269560092 484226744 /nfs/dbraw/zinc/22/67/44/484226744.db2.gz QGMVHEVPYMTIEG-HNNXBMFYSA-N 1 2 361.402 -0.169 20 5 FBBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269560096 484222429 /nfs/dbraw/zinc/22/24/29/484222429.db2.gz QGMVHEVPYMTIEG-OAHLLOKOSA-N 1 2 361.402 -0.169 20 5 FBBDLO Cc1nn(CCC(=O)NCCC[N@H+]2CCNC(=O)C2)c(C)c1[N+](=O)[O-] ZINC000269906883 484927413 /nfs/dbraw/zinc/92/74/13/484927413.db2.gz IKLVCEOBPHZVEX-UHFFFAOYSA-N 1 2 352.395 -0.264 20 5 FBBDLO Cc1nn(CCC(=O)NCCC[N@@H+]2CCNC(=O)C2)c(C)c1[N+](=O)[O-] ZINC000269906883 484927405 /nfs/dbraw/zinc/92/74/05/484927405.db2.gz IKLVCEOBPHZVEX-UHFFFAOYSA-N 1 2 352.395 -0.264 20 5 FBBDLO COC(=O)c1cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc([N+](=O)[O-])c1 ZINC000269940042 484928121 /nfs/dbraw/zinc/92/81/21/484928121.db2.gz RNXVWVSDBVIABW-UHFFFAOYSA-N 1 2 364.358 -0.067 20 5 FBBDLO COC(=O)c1cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc([N+](=O)[O-])c1 ZINC000269940042 484928115 /nfs/dbraw/zinc/92/81/15/484928115.db2.gz RNXVWVSDBVIABW-UHFFFAOYSA-N 1 2 364.358 -0.067 20 5 FBBDLO CNS(=O)(=O)c1ccc(NCCC[N@H+]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000269945697 484928499 /nfs/dbraw/zinc/92/84/99/484928499.db2.gz HPKXJKQLHDTDIL-UHFFFAOYSA-N 1 2 371.419 -0.263 20 5 FBBDLO CNS(=O)(=O)c1ccc(NCCC[N@@H+]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000269945697 484928494 /nfs/dbraw/zinc/92/84/94/484928494.db2.gz HPKXJKQLHDTDIL-UHFFFAOYSA-N 1 2 371.419 -0.263 20 5 FBBDLO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000270473051 485285771 /nfs/dbraw/zinc/28/57/71/485285771.db2.gz CSDRPXVFBZAAIK-CYBMUJFWSA-N 1 2 359.404 -0.108 20 5 FBBDLO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000270473051 485285765 /nfs/dbraw/zinc/28/57/65/485285765.db2.gz CSDRPXVFBZAAIK-CYBMUJFWSA-N 1 2 359.404 -0.108 20 5 FBBDLO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000270473056 485286247 /nfs/dbraw/zinc/28/62/47/485286247.db2.gz CSDRPXVFBZAAIK-ZDUSSCGKSA-N 1 2 359.404 -0.108 20 5 FBBDLO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000270473056 485286245 /nfs/dbraw/zinc/28/62/45/485286245.db2.gz CSDRPXVFBZAAIK-ZDUSSCGKSA-N 1 2 359.404 -0.108 20 5 FBBDLO COC(=O)CN(CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+]1CCOCC1 ZINC000270476016 485286323 /nfs/dbraw/zinc/28/63/23/485286323.db2.gz DKKUFCSLKIISIW-UHFFFAOYSA-N 1 2 368.390 -0.436 20 5 FBBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000270613144 483918404 /nfs/dbraw/zinc/91/84/04/483918404.db2.gz FQZOHOPHLQCEJA-UHFFFAOYSA-N 1 2 373.373 -0.273 20 5 FBBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000270613144 483918399 /nfs/dbraw/zinc/91/83/99/483918399.db2.gz FQZOHOPHLQCEJA-UHFFFAOYSA-N 1 2 373.373 -0.273 20 5 FBBDLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270932139 483971417 /nfs/dbraw/zinc/97/14/17/483971417.db2.gz WXWXYVCVFLMKSJ-GXTWGEPZSA-N 1 2 353.375 -0.141 20 5 FBBDLO C[C@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270932140 243795053 /nfs/dbraw/zinc/79/50/53/243795053.db2.gz WXWXYVCVFLMKSJ-JSGCOSHPSA-N 1 2 353.375 -0.141 20 5 FBBDLO C[C@@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270932141 483971396 /nfs/dbraw/zinc/97/13/96/483971396.db2.gz WXWXYVCVFLMKSJ-OCCSQVGLSA-N 1 2 353.375 -0.141 20 5 FBBDLO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270932142 483970984 /nfs/dbraw/zinc/97/09/84/483970984.db2.gz WXWXYVCVFLMKSJ-TZMCWYRMSA-N 1 2 353.375 -0.141 20 5 FBBDLO COc1cc(OCC(=O)NCCC[N@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000271035999 483979110 /nfs/dbraw/zinc/97/91/10/483979110.db2.gz PZAXTDOPYHBWBW-UHFFFAOYSA-N 1 2 366.374 -0.080 20 5 FBBDLO COc1cc(OCC(=O)NCCC[N@@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000271035999 483979102 /nfs/dbraw/zinc/97/91/02/483979102.db2.gz PZAXTDOPYHBWBW-UHFFFAOYSA-N 1 2 366.374 -0.080 20 5 FBBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000271038270 483980348 /nfs/dbraw/zinc/98/03/48/483980348.db2.gz QKFVWSMUOZNJIT-UHFFFAOYSA-N 1 2 364.358 -0.082 20 5 FBBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000271038270 483980338 /nfs/dbraw/zinc/98/03/38/483980338.db2.gz QKFVWSMUOZNJIT-UHFFFAOYSA-N 1 2 364.358 -0.082 20 5 FBBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCC[N@H+]1CCNC(=O)C1 ZINC000271067799 483984839 /nfs/dbraw/zinc/98/48/39/483984839.db2.gz XKTAZOJXJQYHEZ-UHFFFAOYSA-N 1 2 363.374 -0.737 20 5 FBBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000271067799 483984829 /nfs/dbraw/zinc/98/48/29/483984829.db2.gz XKTAZOJXJQYHEZ-UHFFFAOYSA-N 1 2 363.374 -0.737 20 5 FBBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272359954 484397674 /nfs/dbraw/zinc/39/76/74/484397674.db2.gz RZCPQBCVQPXINL-UHFFFAOYSA-N 1 2 350.331 -0.125 20 5 FBBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272359954 484397665 /nfs/dbraw/zinc/39/76/65/484397665.db2.gz RZCPQBCVQPXINL-UHFFFAOYSA-N 1 2 350.331 -0.125 20 5 FBBDLO CC(=O)N1CC[NH+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000272565379 484414470 /nfs/dbraw/zinc/41/44/70/484414470.db2.gz SNPQEJCGSSPGCD-UHFFFAOYSA-N 1 2 371.419 -0.182 20 5 FBBDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)OC)C1 ZINC000272602110 484419785 /nfs/dbraw/zinc/41/97/85/484419785.db2.gz QZRHYPZFISDQIA-KGYLQXTDSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)OC)C1 ZINC000272602110 484419779 /nfs/dbraw/zinc/41/97/79/484419779.db2.gz QZRHYPZFISDQIA-KGYLQXTDSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)OC)C1 ZINC000272602113 484421148 /nfs/dbraw/zinc/42/11/48/484421148.db2.gz QZRHYPZFISDQIA-RAIGVLPGSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C(=O)OC)C1 ZINC000272602113 484421142 /nfs/dbraw/zinc/42/11/42/484421142.db2.gz QZRHYPZFISDQIA-RAIGVLPGSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C(=O)OC)C1 ZINC000272602115 484421675 /nfs/dbraw/zinc/42/16/75/484421675.db2.gz QZRHYPZFISDQIA-RTXFEEFZSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C(=O)OC)C1 ZINC000272602115 484421670 /nfs/dbraw/zinc/42/16/70/484421670.db2.gz QZRHYPZFISDQIA-RTXFEEFZSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C(=O)OC)C1 ZINC000272602117 484421628 /nfs/dbraw/zinc/42/16/28/484421628.db2.gz QZRHYPZFISDQIA-WXHSDQCUSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C(=O)OC)C1 ZINC000272602117 484421622 /nfs/dbraw/zinc/42/16/22/484421622.db2.gz QZRHYPZFISDQIA-WXHSDQCUSA-N 1 2 370.362 -0.421 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272959293 484446802 /nfs/dbraw/zinc/44/68/02/484446802.db2.gz ZFUDGBBJZDCIBN-GFCCVEGCSA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272959295 484476659 /nfs/dbraw/zinc/47/66/59/484476659.db2.gz ZFUDGBBJZDCIBN-LBPRGKRZSA-N 1 2 374.419 -0.629 20 5 FBBDLO CS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272967925 484479016 /nfs/dbraw/zinc/47/90/16/484479016.db2.gz UVEBKOLVZFCKRG-GFCCVEGCSA-N 1 2 359.404 -0.088 20 5 FBBDLO CS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272967927 484479099 /nfs/dbraw/zinc/47/90/99/484479099.db2.gz UVEBKOLVZFCKRG-LBPRGKRZSA-N 1 2 359.404 -0.088 20 5 FBBDLO Cc1cc(C(=O)NCC(=O)NC[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000273029447 484485925 /nfs/dbraw/zinc/48/59/25/484485925.db2.gz FBMGBQLJUSEEFH-AWEZNQCLSA-N 1 2 363.418 -0.005 20 5 FBBDLO Cc1cc(C(=O)NCC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000273029447 484485919 /nfs/dbraw/zinc/48/59/19/484485919.db2.gz FBMGBQLJUSEEFH-AWEZNQCLSA-N 1 2 363.418 -0.005 20 5 FBBDLO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000273029450 484485870 /nfs/dbraw/zinc/48/58/70/484485870.db2.gz FBMGBQLJUSEEFH-CQSZACIVSA-N 1 2 363.418 -0.005 20 5 FBBDLO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000273029450 484485866 /nfs/dbraw/zinc/48/58/66/484485866.db2.gz FBMGBQLJUSEEFH-CQSZACIVSA-N 1 2 363.418 -0.005 20 5 FBBDLO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273127614 484487054 /nfs/dbraw/zinc/48/70/54/484487054.db2.gz IDYVHKBZHZMULT-CHWSQXEVSA-N 1 2 353.375 -0.141 20 5 FBBDLO C[C@@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273127616 484486906 /nfs/dbraw/zinc/48/69/06/484486906.db2.gz IDYVHKBZHZMULT-OLZOCXBDSA-N 1 2 353.375 -0.141 20 5 FBBDLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273127618 484486566 /nfs/dbraw/zinc/48/65/66/484486566.db2.gz IDYVHKBZHZMULT-QWHCGFSZSA-N 1 2 353.375 -0.141 20 5 FBBDLO C[C@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273127620 484486606 /nfs/dbraw/zinc/48/66/06/484486606.db2.gz IDYVHKBZHZMULT-STQMWFEESA-N 1 2 353.375 -0.141 20 5 FBBDLO NS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273306173 484496366 /nfs/dbraw/zinc/49/63/66/484496366.db2.gz HRRFCMAUAMJTGB-LLVKDONJSA-N 1 2 360.392 -0.844 20 5 FBBDLO NS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273306175 484496605 /nfs/dbraw/zinc/49/66/05/484496605.db2.gz HRRFCMAUAMJTGB-NSHDSACASA-N 1 2 360.392 -0.844 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273473995 837394240 /nfs/dbraw/zinc/39/42/40/837394240.db2.gz KXTNKOBLSFAFEL-LLVKDONJSA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273473996 837394471 /nfs/dbraw/zinc/39/44/71/837394471.db2.gz KXTNKOBLSFAFEL-NSHDSACASA-N 1 2 374.419 -0.629 20 5 FBBDLO CC(C)(C(N)=O)[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273502932 484523465 /nfs/dbraw/zinc/52/34/65/484523465.db2.gz SJBHICUWVKERGM-UHFFFAOYSA-N 1 2 371.419 -0.372 20 5 FBBDLO NS(=O)(=O)c1cccc(NCCC[N@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000273534842 484526613 /nfs/dbraw/zinc/52/66/13/484526613.db2.gz ZWQNRMMRNGWGLZ-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO NS(=O)(=O)c1cccc(NCCC[N@@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000273534842 484526609 /nfs/dbraw/zinc/52/66/09/484526609.db2.gz ZWQNRMMRNGWGLZ-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000273567708 484528258 /nfs/dbraw/zinc/52/82/58/484528258.db2.gz XQMSJGVNGAZKNG-UHFFFAOYSA-N 1 2 352.347 -0.322 20 5 FBBDLO Cc1nnnn1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273941682 484546574 /nfs/dbraw/zinc/54/65/74/484546574.db2.gz DDTKAIGJPDYGDU-UHFFFAOYSA-N 1 2 367.391 -0.185 20 5 FBBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000275004165 484165739 /nfs/dbraw/zinc/16/57/39/484165739.db2.gz OOJBENNKOSCCRR-UHFFFAOYSA-N 1 2 351.363 -0.021 20 5 FBBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000275004165 484165732 /nfs/dbraw/zinc/16/57/32/484165732.db2.gz OOJBENNKOSCCRR-UHFFFAOYSA-N 1 2 351.363 -0.021 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000276122577 244045470 /nfs/dbraw/zinc/04/54/70/244045470.db2.gz SISGBXNUBHXUTQ-AWEZNQCLSA-N 1 2 366.374 -0.315 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000276122589 244043609 /nfs/dbraw/zinc/04/36/09/244043609.db2.gz SISGBXNUBHXUTQ-CQSZACIVSA-N 1 2 366.374 -0.315 20 5 FBBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000276280423 244054842 /nfs/dbraw/zinc/05/48/42/244054842.db2.gz XNYZGVFTOODRBN-LLVKDONJSA-N 1 2 373.387 -0.010 20 5 FBBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000276280423 244054840 /nfs/dbraw/zinc/05/48/40/244054840.db2.gz XNYZGVFTOODRBN-LLVKDONJSA-N 1 2 373.387 -0.010 20 5 FBBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000276280426 244054418 /nfs/dbraw/zinc/05/44/18/244054418.db2.gz XNYZGVFTOODRBN-NSHDSACASA-N 1 2 373.387 -0.010 20 5 FBBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000276280426 244054409 /nfs/dbraw/zinc/05/44/09/244054409.db2.gz XNYZGVFTOODRBN-NSHDSACASA-N 1 2 373.387 -0.010 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276433437 244067643 /nfs/dbraw/zinc/06/76/43/244067643.db2.gz KDNJUYVHHNJJNV-BJOHPYRUSA-N 1 2 352.347 -0.148 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276433437 244067639 /nfs/dbraw/zinc/06/76/39/244067639.db2.gz KDNJUYVHHNJJNV-BJOHPYRUSA-N 1 2 352.347 -0.148 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276433440 244065996 /nfs/dbraw/zinc/06/59/96/244065996.db2.gz KDNJUYVHHNJJNV-PSLIRLAXSA-N 1 2 352.347 -0.148 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276433440 244065981 /nfs/dbraw/zinc/06/59/81/244065981.db2.gz KDNJUYVHHNJJNV-PSLIRLAXSA-N 1 2 352.347 -0.148 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276433442 244066304 /nfs/dbraw/zinc/06/63/04/244066304.db2.gz KDNJUYVHHNJJNV-RFAUZJTJSA-N 1 2 352.347 -0.148 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276433442 244066296 /nfs/dbraw/zinc/06/62/96/244066296.db2.gz KDNJUYVHHNJJNV-RFAUZJTJSA-N 1 2 352.347 -0.148 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276433445 244067033 /nfs/dbraw/zinc/06/70/33/244067033.db2.gz KDNJUYVHHNJJNV-VFZGTOFNSA-N 1 2 352.347 -0.148 20 5 FBBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276433445 244067029 /nfs/dbraw/zinc/06/70/29/244067029.db2.gz KDNJUYVHHNJJNV-VFZGTOFNSA-N 1 2 352.347 -0.148 20 5 FBBDLO COC(=O)c1cnc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000276727871 244086029 /nfs/dbraw/zinc/08/60/29/244086029.db2.gz LALZHKWCYYMQQD-GFCCVEGCSA-N 1 2 354.363 -0.094 20 5 FBBDLO COC(=O)c1cnc(N(C)C[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000276727874 244085443 /nfs/dbraw/zinc/08/54/43/244085443.db2.gz LALZHKWCYYMQQD-LBPRGKRZSA-N 1 2 354.363 -0.094 20 5 FBBDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278184292 244128291 /nfs/dbraw/zinc/12/82/91/244128291.db2.gz OEGAMWUYCWUELB-UHFFFAOYSA-N 1 2 368.346 -0.357 20 5 FBBDLO NS(=O)(=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278240866 244131224 /nfs/dbraw/zinc/13/12/24/244131224.db2.gz NXHWHRMNKMXPHO-UHFFFAOYSA-N 1 2 373.391 -0.091 20 5 FBBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000278654471 244140219 /nfs/dbraw/zinc/14/02/19/244140219.db2.gz DXBVUBOTZOKGNR-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000278654471 244140209 /nfs/dbraw/zinc/14/02/09/244140209.db2.gz DXBVUBOTZOKGNR-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO NS(=O)(=O)c1cc(NCCC[N@H+]2CCNC(=O)C2)cc([N+](=O)[O-])c1 ZINC000278692393 244142216 /nfs/dbraw/zinc/14/22/16/244142216.db2.gz HRVCXUNEEBLHIN-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO NS(=O)(=O)c1cc(NCCC[N@@H+]2CCNC(=O)C2)cc([N+](=O)[O-])c1 ZINC000278692393 244142209 /nfs/dbraw/zinc/14/22/09/244142209.db2.gz HRVCXUNEEBLHIN-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO C[C@H](Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])C(N)=O ZINC000280220081 244183666 /nfs/dbraw/zinc/18/36/66/244183666.db2.gz LEQPXTAZCQPSOH-JTQLQIEISA-N 1 2 371.419 -0.183 20 5 FBBDLO C[C@@H](Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])C(N)=O ZINC000280220084 244182339 /nfs/dbraw/zinc/18/23/39/244182339.db2.gz LEQPXTAZCQPSOH-SNVBAGLBSA-N 1 2 371.419 -0.183 20 5 FBBDLO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000281012922 536297694 /nfs/dbraw/zinc/29/76/94/536297694.db2.gz NPQVFKFZDYTBTP-UHFFFAOYSA-N 1 2 371.419 -0.288 20 5 FBBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000283719302 244313967 /nfs/dbraw/zinc/31/39/67/244313967.db2.gz FZPYVAZQJCRHSJ-LLVKDONJSA-N 1 2 354.363 -0.094 20 5 FBBDLO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000283719304 244311219 /nfs/dbraw/zinc/31/12/19/244311219.db2.gz FZPYVAZQJCRHSJ-NSHDSACASA-N 1 2 354.363 -0.094 20 5 FBBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000285134524 484877048 /nfs/dbraw/zinc/87/70/48/484877048.db2.gz SOYMVNLXMCWAEJ-HNNXBMFYSA-N 1 2 352.347 -0.146 20 5 FBBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000285134524 484877046 /nfs/dbraw/zinc/87/70/46/484877046.db2.gz SOYMVNLXMCWAEJ-HNNXBMFYSA-N 1 2 352.347 -0.146 20 5 FBBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000285134527 661629330 /nfs/dbraw/zinc/62/93/30/661629330.db2.gz SOYMVNLXMCWAEJ-OAHLLOKOSA-N 1 2 352.347 -0.146 20 5 FBBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000285134527 661629328 /nfs/dbraw/zinc/62/93/28/661629328.db2.gz SOYMVNLXMCWAEJ-OAHLLOKOSA-N 1 2 352.347 -0.146 20 5 FBBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285286201 484878415 /nfs/dbraw/zinc/87/84/15/484878415.db2.gz CEJWOSXTFWZKKT-UHFFFAOYSA-N 1 2 357.334 -0.043 20 5 FBBDLO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1COC[C@H]1O ZINC000285672819 483425913 /nfs/dbraw/zinc/42/59/13/483425913.db2.gz UJKGWEBUIKGTBT-HZPDHXFCSA-N 1 2 364.402 -0.065 20 5 FBBDLO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1COC[C@H]1O ZINC000285672819 483425905 /nfs/dbraw/zinc/42/59/05/483425905.db2.gz UJKGWEBUIKGTBT-HZPDHXFCSA-N 1 2 364.402 -0.065 20 5 FBBDLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000289468948 483872876 /nfs/dbraw/zinc/87/28/76/483872876.db2.gz YXJUETKACMMEMQ-CYBMUJFWSA-N 1 2 374.419 -0.584 20 5 FBBDLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000289468949 483872841 /nfs/dbraw/zinc/87/28/41/483872841.db2.gz YXJUETKACMMEMQ-ZDUSSCGKSA-N 1 2 374.419 -0.584 20 5 FBBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000293271964 484258070 /nfs/dbraw/zinc/25/80/70/484258070.db2.gz UXYDKRRVUORGDI-UHFFFAOYSA-N 1 2 361.358 -0.096 20 5 FBBDLO CC(C)NS(=O)(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000295348306 484019042 /nfs/dbraw/zinc/01/90/42/484019042.db2.gz NOLCZQWDOJLNPI-UHFFFAOYSA-N 1 2 373.435 -0.383 20 5 FBBDLO O=C(C[N@@H+]1CCOC[C@@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295755938 484226002 /nfs/dbraw/zinc/22/60/02/484226002.db2.gz XPSDRMYTCMVMEU-INIZCTEOSA-N 1 2 364.402 -0.064 20 5 FBBDLO O=C(C[N@H+]1CCOC[C@@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295755938 484225995 /nfs/dbraw/zinc/22/59/95/484225995.db2.gz XPSDRMYTCMVMEU-INIZCTEOSA-N 1 2 364.402 -0.064 20 5 FBBDLO O=C(C[N@@H+]1CCOC[C@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295755940 484225962 /nfs/dbraw/zinc/22/59/62/484225962.db2.gz XPSDRMYTCMVMEU-MRXNPFEDSA-N 1 2 364.402 -0.064 20 5 FBBDLO O=C(C[N@H+]1CCOC[C@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295755940 484225957 /nfs/dbraw/zinc/22/59/57/484225957.db2.gz XPSDRMYTCMVMEU-MRXNPFEDSA-N 1 2 364.402 -0.064 20 5 FBBDLO NS(=O)(=O)CC[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000296974303 485179100 /nfs/dbraw/zinc/17/91/00/485179100.db2.gz DJMIAIGNWQUHIY-UHFFFAOYSA-N 1 2 354.392 -0.118 20 5 FBBDLO C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000297781121 484379338 /nfs/dbraw/zinc/37/93/38/484379338.db2.gz QOTKRGZUIKKKPJ-UHFFFAOYSA-N 1 2 362.390 -0.588 20 5 FBBDLO NS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298079342 484558723 /nfs/dbraw/zinc/55/87/23/484558723.db2.gz USJJOESMLZGGJG-GFCCVEGCSA-N 1 2 360.392 -0.844 20 5 FBBDLO NS(=O)(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298079343 484557982 /nfs/dbraw/zinc/55/79/82/484557982.db2.gz USJJOESMLZGGJG-LBPRGKRZSA-N 1 2 360.392 -0.844 20 5 FBBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC[NH+]1CCOCC1 ZINC000298194691 485288541 /nfs/dbraw/zinc/28/85/41/485288541.db2.gz BKEZNGMDNXTAGZ-UHFFFAOYSA-N 1 2 362.342 -0.361 20 5 FBBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000298302127 484381193 /nfs/dbraw/zinc/38/11/93/484381193.db2.gz RCISHGSDZQQMMQ-UHFFFAOYSA-N 1 2 362.390 -0.167 20 5 FBBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000298315946 484381146 /nfs/dbraw/zinc/38/11/46/484381146.db2.gz 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Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000377262781 484808075 /nfs/dbraw/zinc/80/80/75/484808075.db2.gz RKCLRSPNHAOKMZ-UHFFFAOYSA-N 1 2 364.406 -0.135 20 5 FBBDLO C[N@H+]1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1 ZINC000377262830 484807722 /nfs/dbraw/zinc/80/77/22/484807722.db2.gz RYLNSWMKSANJKT-UHFFFAOYSA-N 1 2 350.379 -0.444 20 5 FBBDLO C[N@@H+]1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1 ZINC000377262830 484807715 /nfs/dbraw/zinc/80/77/15/484807715.db2.gz RYLNSWMKSANJKT-UHFFFAOYSA-N 1 2 350.379 -0.444 20 5 FBBDLO NC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000377454011 484809046 /nfs/dbraw/zinc/80/90/46/484809046.db2.gz BVELNCFVCXRCHF-UHFFFAOYSA-N 1 2 363.374 -0.656 20 5 FBBDLO NC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000377454011 484809042 /nfs/dbraw/zinc/80/90/42/484809042.db2.gz BVELNCFVCXRCHF-UHFFFAOYSA-N 1 2 363.374 -0.656 20 5 FBBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000377966667 484817093 /nfs/dbraw/zinc/81/70/93/484817093.db2.gz QXVITPJLRXYCKK-AWEZNQCLSA-N 1 2 364.406 -0.006 20 5 FBBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000377966670 484816419 /nfs/dbraw/zinc/81/64/19/484816419.db2.gz QXVITPJLRXYCKK-CQSZACIVSA-N 1 2 364.406 -0.006 20 5 FBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000377980005 484816666 /nfs/dbraw/zinc/81/66/66/484816666.db2.gz WMNNLAUKJVWSLR-GFCCVEGCSA-N 1 2 350.379 -0.396 20 5 FBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000377980006 484816739 /nfs/dbraw/zinc/81/67/39/484816739.db2.gz WMNNLAUKJVWSLR-LBPRGKRZSA-N 1 2 350.379 -0.396 20 5 FBBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000378507870 484819559 /nfs/dbraw/zinc/81/95/59/484819559.db2.gz NEIVZLLHSBQEMS-UHFFFAOYSA-N 1 2 350.331 -0.043 20 5 FBBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000378507870 484819554 /nfs/dbraw/zinc/81/95/54/484819554.db2.gz NEIVZLLHSBQEMS-UHFFFAOYSA-N 1 2 350.331 -0.043 20 5 FBBDLO C[N@H+]1CCN(C2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1 ZINC000378559792 484819821 /nfs/dbraw/zinc/81/98/21/484819821.db2.gz CZWKCSJKZXLSTE-UHFFFAOYSA-N 1 2 364.406 -0.054 20 5 FBBDLO C[N@@H+]1CCN(C2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1 ZINC000378559792 484819815 /nfs/dbraw/zinc/81/98/15/484819815.db2.gz CZWKCSJKZXLSTE-UHFFFAOYSA-N 1 2 364.406 -0.054 20 5 FBBDLO C[N@H+]1CCN(C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C(=O)C1 ZINC000378574377 484819988 /nfs/dbraw/zinc/81/99/88/484819988.db2.gz TZTUMAVCXPRKQI-UHFFFAOYSA-N 1 2 350.379 -0.444 20 5 FBBDLO C[N@@H+]1CCN(C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C(=O)C1 ZINC000378574377 484819984 /nfs/dbraw/zinc/81/99/84/484819984.db2.gz TZTUMAVCXPRKQI-UHFFFAOYSA-N 1 2 350.379 -0.444 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000416654969 484669444 /nfs/dbraw/zinc/66/94/44/484669444.db2.gz CXOPMZPPBVJOHW-GHMZBOCLSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000416654969 484669434 /nfs/dbraw/zinc/66/94/34/484669434.db2.gz CXOPMZPPBVJOHW-GHMZBOCLSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000416654980 484668851 /nfs/dbraw/zinc/66/88/51/484668851.db2.gz CXOPMZPPBVJOHW-MNOVXSKESA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000416654980 484668846 /nfs/dbraw/zinc/66/88/46/484668846.db2.gz CXOPMZPPBVJOHW-MNOVXSKESA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000416654983 484668642 /nfs/dbraw/zinc/66/86/42/484668642.db2.gz CXOPMZPPBVJOHW-QWRGUYRKSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000416654983 484668637 /nfs/dbraw/zinc/66/86/37/484668637.db2.gz CXOPMZPPBVJOHW-QWRGUYRKSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000416654985 484668731 /nfs/dbraw/zinc/66/87/31/484668731.db2.gz CXOPMZPPBVJOHW-WDEREUQCSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000416654985 484668725 /nfs/dbraw/zinc/66/87/25/484668725.db2.gz CXOPMZPPBVJOHW-WDEREUQCSA-N 1 2 361.424 -0.113 20 5 FBBDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419364930 484691354 /nfs/dbraw/zinc/69/13/54/484691354.db2.gz XFEWUKNPWDPFIE-GFCCVEGCSA-N 1 2 364.358 -0.053 20 5 FBBDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419364930 484691349 /nfs/dbraw/zinc/69/13/49/484691349.db2.gz XFEWUKNPWDPFIE-GFCCVEGCSA-N 1 2 364.358 -0.053 20 5 FBBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419364935 484691172 /nfs/dbraw/zinc/69/11/72/484691172.db2.gz XFEWUKNPWDPFIE-LBPRGKRZSA-N 1 2 364.358 -0.053 20 5 FBBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419364935 484691162 /nfs/dbraw/zinc/69/11/62/484691162.db2.gz XFEWUKNPWDPFIE-LBPRGKRZSA-N 1 2 364.358 -0.053 20 5 FBBDLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421004915 484722474 /nfs/dbraw/zinc/72/24/74/484722474.db2.gz FWDYSJJHGHKOLB-SECBINFHSA-N 1 2 373.391 -0.612 20 5 FBBDLO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421004915 484722467 /nfs/dbraw/zinc/72/24/67/484722467.db2.gz FWDYSJJHGHKOLB-SECBINFHSA-N 1 2 373.391 -0.612 20 5 FBBDLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421004921 484722185 /nfs/dbraw/zinc/72/21/85/484722185.db2.gz FWDYSJJHGHKOLB-VIFPVBQESA-N 1 2 373.391 -0.612 20 5 FBBDLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421004921 484722178 /nfs/dbraw/zinc/72/21/78/484722178.db2.gz FWDYSJJHGHKOLB-VIFPVBQESA-N 1 2 373.391 -0.612 20 5 FBBDLO CNC(=O)NC(=O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421020289 484724799 /nfs/dbraw/zinc/72/47/99/484724799.db2.gz NSFBBZYDRMGING-UHFFFAOYSA-N 1 2 373.391 -0.740 20 5 FBBDLO CNC(=O)NC(=O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421020289 484724794 /nfs/dbraw/zinc/72/47/94/484724794.db2.gz NSFBBZYDRMGING-UHFFFAOYSA-N 1 2 373.391 -0.740 20 5 FBBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424524282 484762678 /nfs/dbraw/zinc/76/26/78/484762678.db2.gz PKVDQFYMCHPSLF-SECBINFHSA-N 1 2 360.321 -0.732 20 5 FBBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424524284 484762819 /nfs/dbraw/zinc/76/28/19/484762819.db2.gz PKVDQFYMCHPSLF-VIFPVBQESA-N 1 2 360.321 -0.732 20 5 FBBDLO COc1cc(OCC(=O)N[C@@H](CO)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000425288303 484771991 /nfs/dbraw/zinc/77/19/91/484771991.db2.gz KMGGEBJXZLFHJW-GFCCVEGCSA-N 1 2 369.374 -0.209 20 5 FBBDLO COc1cc(OCC(=O)N[C@H](CO)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000425288305 484771810 /nfs/dbraw/zinc/77/18/10/484771810.db2.gz KMGGEBJXZLFHJW-LBPRGKRZSA-N 1 2 369.374 -0.209 20 5 FBBDLO Cn1c[nH+]cc1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000426485332 484781523 /nfs/dbraw/zinc/78/15/23/484781523.db2.gz JAJUOCMISKAGDE-UHFFFAOYSA-N 1 2 353.360 -0.077 20 5 FBBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@@H](O)CO)c([N+](=O)[O-])c2)CC1 ZINC000427432974 484786943 /nfs/dbraw/zinc/78/69/43/484786943.db2.gz ZZKFLPVVBKFMBF-LLVKDONJSA-N 1 2 374.419 -0.704 20 5 FBBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@H](O)CO)c([N+](=O)[O-])c2)CC1 ZINC000427432975 484787281 /nfs/dbraw/zinc/78/72/81/484787281.db2.gz ZZKFLPVVBKFMBF-NSHDSACASA-N 1 2 374.419 -0.704 20 5 FBBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000427849532 484790383 /nfs/dbraw/zinc/79/03/83/484790383.db2.gz NQOIWQHKXLHASH-UHFFFAOYSA-N 1 2 366.374 -0.218 20 5 FBBDLO COc1cc(CCNC(=O)CN2CC[NH2+]CC2=O)c([N+](=O)[O-])cc1OC ZINC000429777008 484813683 /nfs/dbraw/zinc/81/36/83/484813683.db2.gz VOBZZZAEAXWWAT-UHFFFAOYSA-N 1 2 366.374 -0.298 20 5 FBBDLO CC(C)(C(N)=O)[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000431819591 483633006 /nfs/dbraw/zinc/63/30/06/483633006.db2.gz BWAGGFABDMXUPE-UHFFFAOYSA-N 1 2 371.419 -0.372 20 5 FBBDLO O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)NCC[NH+]1CCOCC1 ZINC000432491628 483666012 /nfs/dbraw/zinc/66/60/12/483666012.db2.gz CUSNCMXIHDVFCW-UHFFFAOYSA-N 1 2 352.347 -0.521 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000433348832 483689941 /nfs/dbraw/zinc/68/99/41/483689941.db2.gz XGFWALONPRNRKB-GHMZBOCLSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000433348832 483689940 /nfs/dbraw/zinc/68/99/40/483689940.db2.gz XGFWALONPRNRKB-GHMZBOCLSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000433348835 483690164 /nfs/dbraw/zinc/69/01/64/483690164.db2.gz XGFWALONPRNRKB-MNOVXSKESA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000433348835 483690163 /nfs/dbraw/zinc/69/01/63/483690163.db2.gz XGFWALONPRNRKB-MNOVXSKESA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000433348836 483690094 /nfs/dbraw/zinc/69/00/94/483690094.db2.gz XGFWALONPRNRKB-QWRGUYRKSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000433348836 483690092 /nfs/dbraw/zinc/69/00/92/483690092.db2.gz XGFWALONPRNRKB-QWRGUYRKSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000433348838 483690189 /nfs/dbraw/zinc/69/01/89/483690189.db2.gz XGFWALONPRNRKB-WDEREUQCSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000433348838 483690187 /nfs/dbraw/zinc/69/01/87/483690187.db2.gz XGFWALONPRNRKB-WDEREUQCSA-N 1 2 361.424 -0.113 20 5 FBBDLO CC(C)c1n[nH]c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000433751727 483833214 /nfs/dbraw/zinc/83/32/14/483833214.db2.gz PGWFARSEPQSMLD-UHFFFAOYSA-N 1 2 368.394 -0.381 20 5 FBBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](CCO)CC1 ZINC000433847397 483833438 /nfs/dbraw/zinc/83/34/38/483833438.db2.gz QVKCSBRZVQBDPV-GFCCVEGCSA-N 1 2 354.411 -0.036 20 5 FBBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](CCO)CC1 ZINC000433847398 483833565 /nfs/dbraw/zinc/83/35/65/483833565.db2.gz QVKCSBRZVQBDPV-LBPRGKRZSA-N 1 2 354.411 -0.036 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000434483636 483839391 /nfs/dbraw/zinc/83/93/91/483839391.db2.gz MPMXDFADRGYQKU-CYBMUJFWSA-N 1 2 355.395 -0.322 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000434483637 483839456 /nfs/dbraw/zinc/83/94/56/483839456.db2.gz MPMXDFADRGYQKU-ZDUSSCGKSA-N 1 2 355.395 -0.322 20 5 FBBDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000434652313 483841357 /nfs/dbraw/zinc/84/13/57/483841357.db2.gz GGCULCYTQPTVCG-CYBMUJFWSA-N 1 2 368.365 -0.079 20 5 FBBDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000434652313 483841356 /nfs/dbraw/zinc/84/13/56/483841356.db2.gz GGCULCYTQPTVCG-CYBMUJFWSA-N 1 2 368.365 -0.079 20 5 FBBDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000434652314 483841343 /nfs/dbraw/zinc/84/13/43/483841343.db2.gz GGCULCYTQPTVCG-ZDUSSCGKSA-N 1 2 368.365 -0.079 20 5 FBBDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000434652314 483841342 /nfs/dbraw/zinc/84/13/42/483841342.db2.gz GGCULCYTQPTVCG-ZDUSSCGKSA-N 1 2 368.365 -0.079 20 5 FBBDLO CCn1cc(S(=O)(=O)NC2CC[NH+](CC(=O)NC)CC2)c([N+](=O)[O-])n1 ZINC000435798973 484133725 /nfs/dbraw/zinc/13/37/25/484133725.db2.gz KSQOZAUASFIXKT-UHFFFAOYSA-N 1 2 374.423 -0.700 20 5 FBBDLO CCn1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000435811179 484140681 /nfs/dbraw/zinc/14/06/81/484140681.db2.gz VRVALWGGOUYLJH-GFCCVEGCSA-N 1 2 374.467 -0.027 20 5 FBBDLO CCn1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000435811180 484145380 /nfs/dbraw/zinc/14/53/80/484145380.db2.gz VRVALWGGOUYLJH-LBPRGKRZSA-N 1 2 374.467 -0.027 20 5 FBBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000438165102 483875639 /nfs/dbraw/zinc/87/56/39/483875639.db2.gz HOBQIWHCYRPXCX-CHWSQXEVSA-N 1 2 365.438 -0.057 20 5 FBBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000438165104 483875615 /nfs/dbraw/zinc/87/56/15/483875615.db2.gz HOBQIWHCYRPXCX-OLZOCXBDSA-N 1 2 365.438 -0.057 20 5 FBBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000438165106 483875572 /nfs/dbraw/zinc/87/55/72/483875572.db2.gz HOBQIWHCYRPXCX-QWHCGFSZSA-N 1 2 365.438 -0.057 20 5 FBBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000438165107 483875455 /nfs/dbraw/zinc/87/54/55/483875455.db2.gz HOBQIWHCYRPXCX-STQMWFEESA-N 1 2 365.438 -0.057 20 5 FBBDLO COC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(=O)OC ZINC000441642820 484581137 /nfs/dbraw/zinc/58/11/37/484581137.db2.gz IAUPQRZHPUMHQI-JHJVBQTASA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(=O)OC ZINC000441642820 484581128 /nfs/dbraw/zinc/58/11/28/484581128.db2.gz IAUPQRZHPUMHQI-JHJVBQTASA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C(=O)OC ZINC000441642827 484578933 /nfs/dbraw/zinc/57/89/33/484578933.db2.gz IAUPQRZHPUMHQI-UPJWGTAASA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C(=O)OC ZINC000441642827 484578928 /nfs/dbraw/zinc/57/89/28/484578928.db2.gz IAUPQRZHPUMHQI-UPJWGTAASA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C(=O)OC ZINC000441642833 484577696 /nfs/dbraw/zinc/57/76/96/484577696.db2.gz IAUPQRZHPUMHQI-XQQFMLRXSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C(=O)OC ZINC000441642833 484577686 /nfs/dbraw/zinc/57/76/86/484577686.db2.gz IAUPQRZHPUMHQI-XQQFMLRXSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(=O)OC ZINC000441642837 484579239 /nfs/dbraw/zinc/57/92/39/484579239.db2.gz IAUPQRZHPUMHQI-YNEHKIRRSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(=O)OC ZINC000441642837 484579232 /nfs/dbraw/zinc/57/92/32/484579232.db2.gz IAUPQRZHPUMHQI-YNEHKIRRSA-N 1 2 370.362 -0.421 20 5 FBBDLO C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000443238124 484001781 /nfs/dbraw/zinc/00/17/81/484001781.db2.gz FLVORMRDSRREIH-AWEZNQCLSA-N 1 2 359.404 -0.044 20 5 FBBDLO C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000443238126 484000090 /nfs/dbraw/zinc/00/00/90/484000090.db2.gz FLVORMRDSRREIH-CQSZACIVSA-N 1 2 359.404 -0.044 20 5 FBBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000443884903 484531854 /nfs/dbraw/zinc/53/18/54/484531854.db2.gz OWJKAIWEKDNDSP-LLVKDONJSA-N 1 2 365.394 -0.664 20 5 FBBDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000443884904 484514422 /nfs/dbraw/zinc/51/44/22/484514422.db2.gz OWJKAIWEKDNDSP-NSHDSACASA-N 1 2 365.394 -0.664 20 5 FBBDLO CCc1n[nH]c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000444269340 484404522 /nfs/dbraw/zinc/40/45/22/484404522.db2.gz XDRSMMTWFBIZMN-UHFFFAOYSA-N 1 2 354.367 -0.942 20 5 FBBDLO COc1cccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000444269925 484403482 /nfs/dbraw/zinc/40/34/82/484403482.db2.gz XVYJFQZXSBQPAR-UHFFFAOYSA-N 1 2 366.374 -0.218 20 5 FBBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000446677269 484826623 /nfs/dbraw/zinc/82/66/23/484826623.db2.gz PTZXXQHZPIASTN-GFCCVEGCSA-N 1 2 365.394 -0.659 20 5 FBBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000446677270 484826502 /nfs/dbraw/zinc/82/65/02/484826502.db2.gz PTZXXQHZPIASTN-LBPRGKRZSA-N 1 2 365.394 -0.659 20 5 FBBDLO NC(=O)[C@]1(O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447816991 483852800 /nfs/dbraw/zinc/85/28/00/483852800.db2.gz MAJWCOVBMZZTCS-INIZCTEOSA-N 1 2 350.375 -0.147 20 5 FBBDLO NC(=O)[C@@]1(O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447816992 484835482 /nfs/dbraw/zinc/83/54/82/484835482.db2.gz MAJWCOVBMZZTCS-MRXNPFEDSA-N 1 2 350.375 -0.147 20 5 FBBDLO O=C(NCCN1CCNC(=O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450521176 483838300 /nfs/dbraw/zinc/83/83/00/483838300.db2.gz WWHNQIBAZXCAKG-UHFFFAOYSA-N 1 2 358.358 -0.058 20 5 FBBDLO COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451536659 483852155 /nfs/dbraw/zinc/85/21/55/483852155.db2.gz ZWUNOOIEJFOOLG-CYBMUJFWSA-N 1 2 373.325 -0.106 20 5 FBBDLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451536669 483852024 /nfs/dbraw/zinc/85/20/24/483852024.db2.gz ZWUNOOIEJFOOLG-ZDUSSCGKSA-N 1 2 373.325 -0.106 20 5 FBBDLO CCn1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])n1 ZINC000451664504 483853914 /nfs/dbraw/zinc/85/39/14/483853914.db2.gz BYRRGSWQSZFIGE-LLVKDONJSA-N 1 2 361.424 -0.064 20 5 FBBDLO CCn1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])n1 ZINC000451664504 483853913 /nfs/dbraw/zinc/85/39/13/483853913.db2.gz BYRRGSWQSZFIGE-LLVKDONJSA-N 1 2 361.424 -0.064 20 5 FBBDLO CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])n1 ZINC000451664505 483853833 /nfs/dbraw/zinc/85/38/33/483853833.db2.gz BYRRGSWQSZFIGE-NSHDSACASA-N 1 2 361.424 -0.064 20 5 FBBDLO CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])n1 ZINC000451664505 483853829 /nfs/dbraw/zinc/85/38/29/483853829.db2.gz BYRRGSWQSZFIGE-NSHDSACASA-N 1 2 361.424 -0.064 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000451884888 483859859 /nfs/dbraw/zinc/85/98/59/483859859.db2.gz AJMRAUONAIECRK-PHIMTYICSA-N 1 2 361.424 -0.113 20 5 FBBDLO CCn1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000451884888 483859857 /nfs/dbraw/zinc/85/98/57/483859857.db2.gz AJMRAUONAIECRK-PHIMTYICSA-N 1 2 361.424 -0.113 20 5 FBBDLO CNc1nc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000454718275 483895742 /nfs/dbraw/zinc/89/57/42/483895742.db2.gz PKNAWQAIJGSTOW-UHFFFAOYSA-N 1 2 350.379 -0.075 20 5 FBBDLO CNc1nc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000455612692 484112783 /nfs/dbraw/zinc/11/27/83/484112783.db2.gz DLDLATZVBCMYMK-UHFFFAOYSA-N 1 2 366.378 -0.790 20 5 FBBDLO CNc1nc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000455794994 484144895 /nfs/dbraw/zinc/14/48/95/484144895.db2.gz AYWHDQYUNIPZOM-HNNXBMFYSA-N 1 2 353.379 -0.156 20 5 FBBDLO CNc1nc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000455794996 484143394 /nfs/dbraw/zinc/14/33/94/484143394.db2.gz AYWHDQYUNIPZOM-OAHLLOKOSA-N 1 2 353.379 -0.156 20 5 FBBDLO NC(=O)CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000458049631 484010560 /nfs/dbraw/zinc/01/05/60/484010560.db2.gz UFTNETHVRSFQTQ-UHFFFAOYSA-N 1 2 372.341 -0.450 20 5 FBBDLO NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC000458084360 484045086 /nfs/dbraw/zinc/04/50/86/484045086.db2.gz YUFWMQGOKCJUHZ-UHFFFAOYSA-N 1 2 372.341 -0.450 20 5 FBBDLO O=[N+]([O-])c1cccnc1N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000459494554 483906707 /nfs/dbraw/zinc/90/67/07/483906707.db2.gz JTPTYVDMCOZYKE-AWEZNQCLSA-N 1 2 351.407 -0.195 20 5 FBBDLO O=[N+]([O-])c1cccnc1N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000459494559 483905063 /nfs/dbraw/zinc/90/50/63/483905063.db2.gz JTPTYVDMCOZYKE-CQSZACIVSA-N 1 2 351.407 -0.195 20 5 FBBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459684233 483959381 /nfs/dbraw/zinc/95/93/81/483959381.db2.gz ASFPMQJSVRQUAX-UHFFFAOYSA-N 1 2 363.374 -0.139 20 5 FBBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459684233 483959377 /nfs/dbraw/zinc/95/93/77/483959377.db2.gz ASFPMQJSVRQUAX-UHFFFAOYSA-N 1 2 363.374 -0.139 20 5 FBBDLO Cc1c(NC(=O)CC[N@H+]2CCN(CC(N)=O)C(=O)C2)cccc1[N+](=O)[O-] ZINC000459731453 483961838 /nfs/dbraw/zinc/96/18/38/483961838.db2.gz QMHZYXLYFBOAGN-UHFFFAOYSA-N 1 2 363.374 -0.139 20 5 FBBDLO Cc1c(NC(=O)CC[N@@H+]2CCN(CC(N)=O)C(=O)C2)cccc1[N+](=O)[O-] ZINC000459731453 483961832 /nfs/dbraw/zinc/96/18/32/483961832.db2.gz QMHZYXLYFBOAGN-UHFFFAOYSA-N 1 2 363.374 -0.139 20 5 FBBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459733728 483961808 /nfs/dbraw/zinc/96/18/08/483961808.db2.gz SQSXYHWALBDJTG-UHFFFAOYSA-N 1 2 363.374 -0.139 20 5 FBBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000459733728 483961802 /nfs/dbraw/zinc/96/18/02/483961802.db2.gz SQSXYHWALBDJTG-UHFFFAOYSA-N 1 2 363.374 -0.139 20 5 FBBDLO O=C(C[N@H+](CCO)CCOCCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459776233 483963648 /nfs/dbraw/zinc/96/36/48/483963648.db2.gz DDZYBCYEUPUAGS-UHFFFAOYSA-N 1 2 353.375 -0.213 20 5 FBBDLO O=C(C[N@@H+](CCO)CCOCCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459776233 483963641 /nfs/dbraw/zinc/96/36/41/483963641.db2.gz DDZYBCYEUPUAGS-UHFFFAOYSA-N 1 2 353.375 -0.213 20 5 FBBDLO O=C(C[N@H+](CCO)CCOCCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459778287 483963684 /nfs/dbraw/zinc/96/36/84/483963684.db2.gz FBWWCBQKVFKBOZ-UHFFFAOYSA-N 1 2 353.375 -0.213 20 5 FBBDLO O=C(C[N@@H+](CCO)CCOCCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459778287 483963680 /nfs/dbraw/zinc/96/36/80/483963680.db2.gz FBWWCBQKVFKBOZ-UHFFFAOYSA-N 1 2 353.375 -0.213 20 5 FBBDLO O=C(CNC(=O)Cc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCOCC1 ZINC000460995906 484286231 /nfs/dbraw/zinc/28/62/31/484286231.db2.gz GUMINZBCXHDBST-UHFFFAOYSA-N 1 2 350.375 -0.298 20 5 FBBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000462360441 484523488 /nfs/dbraw/zinc/52/34/88/484523488.db2.gz PDBCDFDKRNQOKI-CABCVRRESA-N 1 2 365.394 -0.238 20 5 FBBDLO Cc1nc(C)n(C[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000462360441 484523481 /nfs/dbraw/zinc/52/34/81/484523481.db2.gz PDBCDFDKRNQOKI-CABCVRRESA-N 1 2 365.394 -0.238 20 5 FBBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000462360442 484524259 /nfs/dbraw/zinc/52/42/59/484524259.db2.gz PDBCDFDKRNQOKI-GJZGRUSLSA-N 1 2 365.394 -0.238 20 5 FBBDLO Cc1nc(C)n(C[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000462360442 484524254 /nfs/dbraw/zinc/52/42/54/484524254.db2.gz PDBCDFDKRNQOKI-GJZGRUSLSA-N 1 2 365.394 -0.238 20 5 FBBDLO Cc1nc(C)n(C[C@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000462360443 484523613 /nfs/dbraw/zinc/52/36/13/484523613.db2.gz PDBCDFDKRNQOKI-HUUCEWRRSA-N 1 2 365.394 -0.238 20 5 FBBDLO Cc1nc(C)n(C[C@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000462360443 484523608 /nfs/dbraw/zinc/52/36/08/484523608.db2.gz PDBCDFDKRNQOKI-HUUCEWRRSA-N 1 2 365.394 -0.238 20 5 FBBDLO Cc1nc(C)n(C[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000462360444 484523452 /nfs/dbraw/zinc/52/34/52/484523452.db2.gz PDBCDFDKRNQOKI-LSDHHAIUSA-N 1 2 365.394 -0.238 20 5 FBBDLO Cc1nc(C)n(C[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000462360444 484523445 /nfs/dbraw/zinc/52/34/45/484523445.db2.gz PDBCDFDKRNQOKI-LSDHHAIUSA-N 1 2 365.394 -0.238 20 5 FBBDLO CNc1c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000462995026 484618054 /nfs/dbraw/zinc/61/80/54/484618054.db2.gz WGQPGNHVCLPHGE-UHFFFAOYSA-N 1 2 365.390 -0.185 20 5 FBBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)n1 ZINC000464482077 484831888 /nfs/dbraw/zinc/83/18/88/484831888.db2.gz SXRGGSDUEGUERY-UHFFFAOYSA-N 1 2 357.436 -0.014 20 5 FBBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000464485093 484831298 /nfs/dbraw/zinc/83/12/98/484831298.db2.gz FDHCBBJNVZNXOL-UHFFFAOYSA-N 1 2 357.436 -0.014 20 5 FBBDLO O=C(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCOCC1 ZINC000467197805 484844037 /nfs/dbraw/zinc/84/40/37/484844037.db2.gz VQFYVAHNYIGSKZ-UHFFFAOYSA-N 1 2 354.338 -0.088 20 5 FBBDLO COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000468635804 484848491 /nfs/dbraw/zinc/84/84/91/484848491.db2.gz UBUGRHDJXYFCSF-CYBMUJFWSA-N 1 2 373.325 -0.106 20 5 FBBDLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000468635805 484848270 /nfs/dbraw/zinc/84/82/70/484848270.db2.gz UBUGRHDJXYFCSF-ZDUSSCGKSA-N 1 2 373.325 -0.106 20 5 FBBDLO NS(=O)(=O)CC[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000471020458 484860705 /nfs/dbraw/zinc/86/07/05/484860705.db2.gz FVBXMWFIGQRYRM-UHFFFAOYSA-N 1 2 371.419 -0.561 20 5 FBBDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000472264925 484864871 /nfs/dbraw/zinc/86/48/71/484864871.db2.gz ZNGZBYKNUQKDEX-AWEZNQCLSA-N 1 2 366.422 -0.344 20 5 FBBDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000472264925 484864865 /nfs/dbraw/zinc/86/48/65/484864865.db2.gz ZNGZBYKNUQKDEX-AWEZNQCLSA-N 1 2 366.422 -0.344 20 5 FBBDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000472264929 484865096 /nfs/dbraw/zinc/86/50/96/484865096.db2.gz ZNGZBYKNUQKDEX-CQSZACIVSA-N 1 2 366.422 -0.344 20 5 FBBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000472264929 484865088 /nfs/dbraw/zinc/86/50/88/484865088.db2.gz ZNGZBYKNUQKDEX-CQSZACIVSA-N 1 2 366.422 -0.344 20 5 FBBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 ZINC000472682668 484867559 /nfs/dbraw/zinc/86/75/59/484867559.db2.gz KBSPBHFYIQRSFU-RYUDHWBXSA-N 1 2 366.357 -0.351 20 5 FBBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 ZINC000472682668 484867553 /nfs/dbraw/zinc/86/75/53/484867553.db2.gz KBSPBHFYIQRSFU-RYUDHWBXSA-N 1 2 366.357 -0.351 20 5 FBBDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472695137 484867251 /nfs/dbraw/zinc/86/72/51/484867251.db2.gz XKFKFKKLVRQQMH-CYBMUJFWSA-N 1 2 370.337 -0.518 20 5 FBBDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472695139 484868279 /nfs/dbraw/zinc/86/82/79/484868279.db2.gz XKFKFKKLVRQQMH-ZDUSSCGKSA-N 1 2 370.337 -0.518 20 5 FBBDLO COC(=O)COc1ccc(CN2CC[NH+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000475567533 484878260 /nfs/dbraw/zinc/87/82/60/484878260.db2.gz CTNRIJXNYDPKPV-UHFFFAOYSA-N 1 2 366.374 -0.251 20 5 FBBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000475642400 484878139 /nfs/dbraw/zinc/87/81/39/484878139.db2.gz UQXSGGVEFGXKIH-UHFFFAOYSA-N 1 2 352.395 -0.695 20 5 FBBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475869417 483416581 /nfs/dbraw/zinc/41/65/81/483416581.db2.gz YGBWAULJFGEFFB-CYBMUJFWSA-N 1 2 366.422 -0.307 20 5 FBBDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475869418 483416589 /nfs/dbraw/zinc/41/65/89/483416589.db2.gz YGBWAULJFGEFFB-ZDUSSCGKSA-N 1 2 366.422 -0.307 20 5 FBBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475872783 483418021 /nfs/dbraw/zinc/41/80/21/483418021.db2.gz GHGDMDDBVRHWCC-CYBMUJFWSA-N 1 2 368.438 -0.013 20 5 FBBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000475872784 483416605 /nfs/dbraw/zinc/41/66/05/483416605.db2.gz GHGDMDDBVRHWCC-ZDUSSCGKSA-N 1 2 368.438 -0.013 20 5 FBBDLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000475879497 483417607 /nfs/dbraw/zinc/41/76/07/483417607.db2.gz FMBYMXCYGTWKLT-UHFFFAOYSA-N 1 2 364.362 -0.916 20 5 FBBDLO COc1c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000475926291 483425492 /nfs/dbraw/zinc/42/54/92/483425492.db2.gz MSUFWCVZIARAIT-UHFFFAOYSA-N 1 2 366.374 -0.218 20 5 FBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000476351668 483431140 /nfs/dbraw/zinc/43/11/40/483431140.db2.gz FFBOMSNPZZRCIP-UHFFFAOYSA-N 1 2 360.378 -0.330 20 5 FBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000477841836 483788780 /nfs/dbraw/zinc/78/87/80/483788780.db2.gz IBQMPJNFBLENPX-UHFFFAOYSA-N 1 2 365.394 -0.753 20 5 FBBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000477846620 483791560 /nfs/dbraw/zinc/79/15/60/483791560.db2.gz QSAMNAIUIFEJQL-UHFFFAOYSA-N 1 2 364.406 -0.148 20 5 FBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000477886203 483800771 /nfs/dbraw/zinc/80/07/71/483800771.db2.gz YCGGLLAXTLQTIT-UHFFFAOYSA-N 1 2 364.406 -0.148 20 5 FBBDLO Cc1nn(CCC(=O)N(CCO)CC[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000478012477 483830014 /nfs/dbraw/zinc/83/00/14/483830014.db2.gz FQPRIOBPKYKBRC-UHFFFAOYSA-N 1 2 369.422 -0.049 20 5 FBBDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000478038860 483844981 /nfs/dbraw/zinc/84/49/81/483844981.db2.gz FBEKDMCQKAIVFI-AWEZNQCLSA-N 1 2 366.422 -0.344 20 5 FBBDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000478038860 483844980 /nfs/dbraw/zinc/84/49/80/483844980.db2.gz FBEKDMCQKAIVFI-AWEZNQCLSA-N 1 2 366.422 -0.344 20 5 FBBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000478038861 483845077 /nfs/dbraw/zinc/84/50/77/483845077.db2.gz FBEKDMCQKAIVFI-CQSZACIVSA-N 1 2 366.422 -0.344 20 5 FBBDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000478038861 483845076 /nfs/dbraw/zinc/84/50/76/483845076.db2.gz FBEKDMCQKAIVFI-CQSZACIVSA-N 1 2 366.422 -0.344 20 5 FBBDLO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000478418045 483860008 /nfs/dbraw/zinc/86/00/08/483860008.db2.gz OLOJKHYFHHHWIL-LLVKDONJSA-N 1 2 359.408 -0.584 20 5 FBBDLO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000478418045 483860006 /nfs/dbraw/zinc/86/00/06/483860006.db2.gz OLOJKHYFHHHWIL-LLVKDONJSA-N 1 2 359.408 -0.584 20 5 FBBDLO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000478418046 483859920 /nfs/dbraw/zinc/85/99/20/483859920.db2.gz OLOJKHYFHHHWIL-NSHDSACASA-N 1 2 359.408 -0.584 20 5 FBBDLO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000478418046 483859918 /nfs/dbraw/zinc/85/99/18/483859918.db2.gz OLOJKHYFHHHWIL-NSHDSACASA-N 1 2 359.408 -0.584 20 5 FBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478869012 483864207 /nfs/dbraw/zinc/86/42/07/483864207.db2.gz ORPFXJAZPHQVNL-GFCCVEGCSA-N 1 2 353.379 -0.108 20 5 FBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478869014 483864379 /nfs/dbraw/zinc/86/43/79/483864379.db2.gz ORPFXJAZPHQVNL-LBPRGKRZSA-N 1 2 353.379 -0.108 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)n1 ZINC000478996723 483864978 /nfs/dbraw/zinc/86/49/78/483864978.db2.gz YGDRATLOSQTGTP-GFCCVEGCSA-N 1 2 353.379 -0.108 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)n1 ZINC000478996724 483864558 /nfs/dbraw/zinc/86/45/58/483864558.db2.gz YGDRATLOSQTGTP-LBPRGKRZSA-N 1 2 353.379 -0.108 20 5 FBBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478996778 483864931 /nfs/dbraw/zinc/86/49/31/483864931.db2.gz YJWDYNCNKKUVAJ-AWEZNQCLSA-N 1 2 353.379 -0.259 20 5 FBBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478996779 483864650 /nfs/dbraw/zinc/86/46/50/483864650.db2.gz YJWDYNCNKKUVAJ-CQSZACIVSA-N 1 2 353.379 -0.259 20 5 FBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000479000753 483864798 /nfs/dbraw/zinc/86/47/98/483864798.db2.gz XIIBLUHVGJUCRT-CYBMUJFWSA-N 1 2 353.379 -0.259 20 5 FBBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000479000754 483864564 /nfs/dbraw/zinc/86/45/64/483864564.db2.gz XIIBLUHVGJUCRT-ZDUSSCGKSA-N 1 2 353.379 -0.259 20 5 FBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000479028140 483864944 /nfs/dbraw/zinc/86/49/44/483864944.db2.gz SZPHQJSYUHEYTP-GFCCVEGCSA-N 1 2 354.367 -0.864 20 5 FBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000479028142 483864905 /nfs/dbraw/zinc/86/49/05/483864905.db2.gz SZPHQJSYUHEYTP-LBPRGKRZSA-N 1 2 354.367 -0.864 20 5 FBBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000481322319 483782571 /nfs/dbraw/zinc/78/25/71/483782571.db2.gz ZVHNHZNBCXPQAP-UHFFFAOYSA-N 1 2 371.361 -0.033 20 5 FBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000481777418 483853728 /nfs/dbraw/zinc/85/37/28/483853728.db2.gz JGKQXQAQZCMTFE-GFCCVEGCSA-N 1 2 353.379 -0.108 20 5 FBBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000481777420 483853702 /nfs/dbraw/zinc/85/37/02/483853702.db2.gz JGKQXQAQZCMTFE-LBPRGKRZSA-N 1 2 353.379 -0.108 20 5 FBBDLO NS(=O)(=O)CC[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482706055 484225216 /nfs/dbraw/zinc/22/52/16/484225216.db2.gz KCEOATWMAHGZTB-UHFFFAOYSA-N 1 2 368.419 -0.123 20 5 FBBDLO NC(=O)c1ccc(CN(CCO)CC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000484391751 483880274 /nfs/dbraw/zinc/88/02/74/483880274.db2.gz QIKVBHZNUOPIGA-UHFFFAOYSA-N 1 2 352.391 -0.180 20 5 FBBDLO NC(=O)c1ccc(C[N@@H+](CCO)CCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000484391751 483880272 /nfs/dbraw/zinc/88/02/72/483880272.db2.gz QIKVBHZNUOPIGA-UHFFFAOYSA-N 1 2 352.391 -0.180 20 5 FBBDLO NC(=O)c1ccc(C[N@H+](CCO)CCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000484391751 483880270 /nfs/dbraw/zinc/88/02/70/483880270.db2.gz QIKVBHZNUOPIGA-UHFFFAOYSA-N 1 2 352.391 -0.180 20 5 FBBDLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000484900749 484023214 /nfs/dbraw/zinc/02/32/14/484023214.db2.gz WQVDIOZJXGKNPF-UHFFFAOYSA-N 1 2 364.362 -0.916 20 5 FBBDLO Nc1c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000487668933 484222001 /nfs/dbraw/zinc/22/20/01/484222001.db2.gz VHQVKBLEZYNJGR-UHFFFAOYSA-N 1 2 351.363 -0.645 20 5 FBBDLO NC(=O)c1ccc(SCC(=O)N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000490110776 484882340 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360.378 -0.330 20 5 FBBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCOCC1 ZINC000498326283 485001865 /nfs/dbraw/zinc/00/18/65/485001865.db2.gz PNTFZVQZUUHHPB-UHFFFAOYSA-N 1 2 365.390 -0.158 20 5 FBBDLO C[C@](O)(CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000498650343 485003439 /nfs/dbraw/zinc/00/34/39/485003439.db2.gz YTTXPLQNFBSWRP-AWEZNQCLSA-N 1 2 374.419 -0.263 20 5 FBBDLO C[C@@](O)(CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000498650344 485002726 /nfs/dbraw/zinc/00/27/26/485002726.db2.gz YTTXPLQNFBSWRP-CQSZACIVSA-N 1 2 374.419 -0.263 20 5 FBBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000499872042 483445311 /nfs/dbraw/zinc/44/53/11/483445311.db2.gz FFCDQXTUGBUPGD-UHFFFAOYSA-N 1 2 351.363 -0.645 20 5 FBBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000500739956 485287767 /nfs/dbraw/zinc/28/77/67/485287767.db2.gz BOCZNUJOGZNOED-UHFFFAOYSA-N 1 2 371.361 -0.033 20 5 FBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000501113206 484946060 /nfs/dbraw/zinc/94/60/60/484946060.db2.gz SLJJEULITJHUCX-UHFFFAOYSA-N 1 2 360.378 -0.330 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000502098560 484952314 /nfs/dbraw/zinc/95/23/14/484952314.db2.gz PLMGXZCRXRXIBI-UHFFFAOYSA-N 1 2 371.361 -0.033 20 5 FBBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000505608603 484504282 /nfs/dbraw/zinc/50/42/82/484504282.db2.gz JJCNOECJAHOHDM-LLVKDONJSA-N 1 2 367.410 -0.370 20 5 FBBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000505608618 484504354 /nfs/dbraw/zinc/50/43/54/484504354.db2.gz JJCNOECJAHOHDM-NSHDSACASA-N 1 2 367.410 -0.370 20 5 FBBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000506062106 484993468 /nfs/dbraw/zinc/99/34/68/484993468.db2.gz VQVJAOPZJWUNQW-UHFFFAOYSA-N 1 2 370.435 -0.396 20 5 FBBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000507164057 485001141 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HSGGIGGLWLNWGM-UHFFFAOYSA-N 1 2 374.405 -0.021 20 5 FBBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[NH+]1CCOCC1 ZINC000512587981 483763536 /nfs/dbraw/zinc/76/35/36/483763536.db2.gz RQNCVZKFEBEASM-UHFFFAOYSA-N 1 2 364.358 -0.231 20 5 FBBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000512739150 483779298 /nfs/dbraw/zinc/77/92/98/483779298.db2.gz IBGSLEVTAKLSAK-UHFFFAOYSA-N 1 2 370.435 -0.396 20 5 FBBDLO CCC(CC)(NC(=O)C1C[NH+](Cc2c([N+](=O)[O-])ncn2C)C1)C(N)=O ZINC000513242469 483876442 /nfs/dbraw/zinc/87/64/42/483876442.db2.gz RTFRGIMOXRPHRE-UHFFFAOYSA-N 1 2 352.395 -0.080 20 5 FBBDLO CC(C)(C(=O)N(CCO)CC[NH+]1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC000513805652 483882274 /nfs/dbraw/zinc/88/22/74/483882274.db2.gz UYEKVTBIUMDOMG-UHFFFAOYSA-N 1 2 355.395 -0.321 20 5 FBBDLO O=C(Cn1cc[nH+]c1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000514766074 483891648 /nfs/dbraw/zinc/89/16/48/483891648.db2.gz FSJPBDQNVSRIQG-UHFFFAOYSA-N 1 2 353.360 -0.114 20 5 FBBDLO C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000515214160 484072286 /nfs/dbraw/zinc/07/22/86/484072286.db2.gz RLQNSBQQHDRXBE-UHFFFAOYSA-N 1 2 362.390 -0.588 20 5 FBBDLO CC(=O)N1CC[NH+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000515590344 484131210 /nfs/dbraw/zinc/13/12/10/484131210.db2.gz QVTZVRCQQFAGFM-UHFFFAOYSA-N 1 2 371.419 -0.182 20 5 FBBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000517692812 483491553 /nfs/dbraw/zinc/49/15/53/483491553.db2.gz PSTVYBFHMBNVMD-UHFFFAOYSA-N 1 2 351.363 -0.524 20 5 FBBDLO O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1F)NCC[NH+]1CCOCC1 ZINC000517693062 483491531 /nfs/dbraw/zinc/49/15/31/483491531.db2.gz BHAPMCRJOYGTFQ-UHFFFAOYSA-N 1 2 354.338 -0.088 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000517693106 483492332 /nfs/dbraw/zinc/49/23/32/483492332.db2.gz CVQSNYMTQOBCSK-UHFFFAOYSA-N 1 2 368.394 -0.946 20 5 FBBDLO O=C(Cn1cc[nH+]c1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000518271383 484333992 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O=C(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCOCC1 ZINC000521056390 484609729 /nfs/dbraw/zinc/60/97/29/484609729.db2.gz DVHDLZBFWJPULR-UHFFFAOYSA-N 1 2 350.375 -0.298 20 5 FBBDLO Nc1c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000521073386 484632752 /nfs/dbraw/zinc/63/27/52/484632752.db2.gz REFZHCKWSVSJDL-UHFFFAOYSA-N 1 2 369.353 -0.506 20 5 FBBDLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 ZINC000521274282 484669143 /nfs/dbraw/zinc/66/91/43/484669143.db2.gz PQBSGXJBQNSASZ-UHFFFAOYSA-N 1 2 373.373 -0.370 20 5 FBBDLO CC(C)(C(=O)NCC(=O)NCC[NH+]1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC000522029148 484676154 /nfs/dbraw/zinc/67/61/54/484676154.db2.gz PNUCSCWPXZZJNM-UHFFFAOYSA-N 1 2 368.394 -0.909 20 5 FBBDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000522047669 484675766 /nfs/dbraw/zinc/67/57/66/484675766.db2.gz UVVOVYSNRSTKOY-CYBMUJFWSA-N 1 2 370.431 -0.026 20 5 FBBDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000522047669 484675764 /nfs/dbraw/zinc/67/57/64/484675764.db2.gz UVVOVYSNRSTKOY-CYBMUJFWSA-N 1 2 370.431 -0.026 20 5 FBBDLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000522047670 484675659 /nfs/dbraw/zinc/67/56/59/484675659.db2.gz UVVOVYSNRSTKOY-ZDUSSCGKSA-N 1 2 370.431 -0.026 20 5 FBBDLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000522047670 484675655 /nfs/dbraw/zinc/67/56/55/484675655.db2.gz UVVOVYSNRSTKOY-ZDUSSCGKSA-N 1 2 370.431 -0.026 20 5 FBBDLO Cc1n[nH]c(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000523353229 484687317 /nfs/dbraw/zinc/68/73/17/484687317.db2.gz NFPYYHDDLRKZIR-UHFFFAOYSA-N 1 2 360.378 -0.032 20 5 FBBDLO Nc1nc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000524124536 484531275 /nfs/dbraw/zinc/53/12/75/484531275.db2.gz UYXBWOCJPOEMAH-UHFFFAOYSA-N 1 2 372.389 -0.065 20 5 FBBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000524823909 484713574 /nfs/dbraw/zinc/71/35/74/484713574.db2.gz ZBMANXAJFTWNFT-UHFFFAOYSA-N 1 2 361.362 -0.808 20 5 FBBDLO CC(C)(C(=O)N1CC[NH+](CCn2cncn2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000524824808 484713920 /nfs/dbraw/zinc/71/39/20/484713920.db2.gz VFZPTUDHADZDCI-UHFFFAOYSA-N 1 2 362.394 -0.038 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000524824912 484714344 /nfs/dbraw/zinc/71/43/44/484714344.db2.gz QPWBTGHJXHBRDJ-UHFFFAOYSA-N 1 2 362.394 -0.074 20 5 FBBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000530788309 484786462 /nfs/dbraw/zinc/78/64/62/484786462.db2.gz RPOYLNHYIHSIAO-GFCCVEGCSA-N 1 2 366.374 -0.071 20 5 FBBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000530788311 484787068 /nfs/dbraw/zinc/78/70/68/484787068.db2.gz RPOYLNHYIHSIAO-LBPRGKRZSA-N 1 2 366.374 -0.071 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530955995 484789154 /nfs/dbraw/zinc/78/91/54/484789154.db2.gz FMAKNHKYOSJHJY-LLVKDONJSA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530956002 484788002 /nfs/dbraw/zinc/78/80/02/484788002.db2.gz FMAKNHKYOSJHJY-NSHDSACASA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000531433251 484790972 /nfs/dbraw/zinc/79/09/72/484790972.db2.gz ITQFDKALRRCWSP-LLVKDONJSA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000531433254 484791452 /nfs/dbraw/zinc/79/14/52/484791452.db2.gz ITQFDKALRRCWSP-NSHDSACASA-N 1 2 374.419 -0.629 20 5 FBBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC2(CO)COC2)CC1 ZINC000531801762 484792592 /nfs/dbraw/zinc/79/25/92/484792592.db2.gz AHRIQIVELXKESA-UHFFFAOYSA-N 1 2 371.415 -0.090 20 5 FBBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3(CO)COC3)CC2)c1 ZINC000531801785 484793759 /nfs/dbraw/zinc/79/37/59/484793759.db2.gz HQONCEQTJHIMEM-UHFFFAOYSA-N 1 2 371.415 -0.090 20 5 FBBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3(CO)COC3)CC2)cc1 ZINC000532312671 484796314 /nfs/dbraw/zinc/79/63/14/484796314.db2.gz UAPVIEPSQONJJT-UHFFFAOYSA-N 1 2 371.415 -0.090 20 5 FBBDLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000532367126 484797451 /nfs/dbraw/zinc/79/74/51/484797451.db2.gz LKWXQJAEYYINSQ-UHFFFAOYSA-N 1 2 371.419 -0.226 20 5 FBBDLO NC(=O)CN1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000532744541 484801217 /nfs/dbraw/zinc/80/12/17/484801217.db2.gz HUYSUQWWPBFZOC-UHFFFAOYSA-N 1 2 363.374 -0.004 20 5 FBBDLO C[C@](O)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000532769784 484800625 /nfs/dbraw/zinc/80/06/25/484800625.db2.gz XLUDOGWXDARVLS-AWEZNQCLSA-N 1 2 359.404 -0.044 20 5 FBBDLO C[C@@](O)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000532769786 484800760 /nfs/dbraw/zinc/80/07/60/484800760.db2.gz XLUDOGWXDARVLS-CQSZACIVSA-N 1 2 359.404 -0.044 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])n1 ZINC000533175456 484805466 /nfs/dbraw/zinc/80/54/66/484805466.db2.gz XRIXRJKFAPIBEV-UHFFFAOYSA-N 1 2 361.424 -0.112 20 5 FBBDLO C[C@@](O)(CNS(=O)(=O)c1cccnc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000533551250 484809737 /nfs/dbraw/zinc/80/97/37/484809737.db2.gz JLTIVNISQRCXJS-CYBMUJFWSA-N 1 2 360.392 -0.649 20 5 FBBDLO C[C@](O)(CNS(=O)(=O)c1cccnc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000533551251 484810652 /nfs/dbraw/zinc/81/06/52/484810652.db2.gz JLTIVNISQRCXJS-ZDUSSCGKSA-N 1 2 360.392 -0.649 20 5 FBBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000533635328 483566773 /nfs/dbraw/zinc/56/67/73/483566773.db2.gz YQPCLUZIZYNHOP-LLVKDONJSA-N 1 2 361.424 -0.112 20 5 FBBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000533635329 483566142 /nfs/dbraw/zinc/56/61/42/483566142.db2.gz YQPCLUZIZYNHOP-NSHDSACASA-N 1 2 361.424 -0.112 20 5 FBBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000535016128 484821462 /nfs/dbraw/zinc/82/14/62/484821462.db2.gz OHPGCAYIZZICSH-UHFFFAOYSA-N 1 2 364.358 -0.082 20 5 FBBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000535016128 484821459 /nfs/dbraw/zinc/82/14/59/484821459.db2.gz OHPGCAYIZZICSH-UHFFFAOYSA-N 1 2 364.358 -0.082 20 5 FBBDLO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(-n2cnnn2)c1 ZINC000535152479 484821054 /nfs/dbraw/zinc/82/10/54/484821054.db2.gz HJJRRBMOTNAQTM-GFCCVEGCSA-N 1 2 350.335 -0.358 20 5 FBBDLO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(-n2cnnn2)c1 ZINC000535152498 484821472 /nfs/dbraw/zinc/82/14/72/484821472.db2.gz HJJRRBMOTNAQTM-LBPRGKRZSA-N 1 2 350.335 -0.358 20 5 FBBDLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000535668156 484822871 /nfs/dbraw/zinc/82/28/71/484822871.db2.gz CYXSHAOCRMYKKH-AAEUAGOBSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000535668156 484822865 /nfs/dbraw/zinc/82/28/65/484822865.db2.gz CYXSHAOCRMYKKH-AAEUAGOBSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000535668158 484822176 /nfs/dbraw/zinc/82/21/76/484822176.db2.gz CYXSHAOCRMYKKH-DGCLKSJQSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000535668158 484822172 /nfs/dbraw/zinc/82/21/72/484822172.db2.gz CYXSHAOCRMYKKH-DGCLKSJQSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000535668159 484822959 /nfs/dbraw/zinc/82/29/59/484822959.db2.gz CYXSHAOCRMYKKH-WCQYABFASA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000535668159 484822955 /nfs/dbraw/zinc/82/29/55/484822955.db2.gz CYXSHAOCRMYKKH-WCQYABFASA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000535668160 484823032 /nfs/dbraw/zinc/82/30/32/484823032.db2.gz CYXSHAOCRMYKKH-YPMHNXCESA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000535668160 484823026 /nfs/dbraw/zinc/82/30/26/484823026.db2.gz CYXSHAOCRMYKKH-YPMHNXCESA-N 1 2 350.331 -0.430 20 5 FBBDLO Cn1ccnc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1=O ZINC000536378071 483836236 /nfs/dbraw/zinc/83/62/36/483836236.db2.gz LOZMFVJUXVSADU-UHFFFAOYSA-N 1 2 360.374 -0.328 20 5 FBBDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)ccn2)CC1 ZINC000538425342 483833791 /nfs/dbraw/zinc/83/37/91/483833791.db2.gz WLMGFFDWOWEQEZ-UHFFFAOYSA-N 1 2 374.361 -0.392 20 5 FBBDLO COC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000539721058 483845728 /nfs/dbraw/zinc/84/57/28/483845728.db2.gz FUHPUYMPXXLOIL-ZDUSSCGKSA-N 1 2 359.404 -0.092 20 5 FBBDLO COC(=O)CNC(=O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000539923780 483847024 /nfs/dbraw/zinc/84/70/24/483847024.db2.gz DNAXNCSWZGBPKJ-UHFFFAOYSA-N 1 2 361.314 -0.201 20 5 FBBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000541841561 483836308 /nfs/dbraw/zinc/83/63/08/483836308.db2.gz AFRAYTFHICNKSF-UHFFFAOYSA-N 1 2 372.389 -0.086 20 5 FBBDLO Cn1c2[nH]c(C[N@H+]3CCc4ncc([N+](=O)[O-])cc4C3)nc2c(=O)n(C)c1=O ZINC000542553269 484242151 /nfs/dbraw/zinc/24/21/51/484242151.db2.gz SIFVFFMJEAOTAT-UHFFFAOYSA-N 1 2 371.357 -0.178 20 5 FBBDLO Cn1c2[nH]c(C[N@@H+]3CCc4ncc([N+](=O)[O-])cc4C3)nc2c(=O)n(C)c1=O ZINC000542553269 484242145 /nfs/dbraw/zinc/24/21/45/484242145.db2.gz SIFVFFMJEAOTAT-UHFFFAOYSA-N 1 2 371.357 -0.178 20 5 FBBDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000543084733 484311891 /nfs/dbraw/zinc/31/18/91/484311891.db2.gz IPNJTYUUIMLPJV-GFCCVEGCSA-N 1 2 361.362 -0.168 20 5 FBBDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC000543084750 484311546 /nfs/dbraw/zinc/31/15/46/484311546.db2.gz IPNJTYUUIMLPJV-LBPRGKRZSA-N 1 2 361.362 -0.168 20 5 FBBDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1=O ZINC000543085061 484312469 /nfs/dbraw/zinc/31/24/69/484312469.db2.gz NUIQBBLHVRHCNN-LLVKDONJSA-N 1 2 361.362 -0.168 20 5 FBBDLO NS(=O)(=O)CC[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000543435761 483868147 /nfs/dbraw/zinc/86/81/47/483868147.db2.gz ZCCLCTQQWAWLPE-UHFFFAOYSA-N 1 2 366.403 -0.052 20 5 FBBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000543699956 483881336 /nfs/dbraw/zinc/88/13/36/483881336.db2.gz FFDSKGYGMIERGE-UHFFFAOYSA-N 1 2 350.379 -0.144 20 5 FBBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000543699956 483881333 /nfs/dbraw/zinc/88/13/33/483881333.db2.gz FFDSKGYGMIERGE-UHFFFAOYSA-N 1 2 350.379 -0.144 20 5 FBBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCS(N)(=O)=O)CC2)c1 ZINC000543900821 483957153 /nfs/dbraw/zinc/95/71/53/483957153.db2.gz DTPAUKCIFOMPJS-UHFFFAOYSA-N 1 2 372.403 -0.208 20 5 FBBDLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000544123511 484093126 /nfs/dbraw/zinc/09/31/26/484093126.db2.gz LPWSOKFLTGFWKC-CMPLNLGQSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000544123511 484093122 /nfs/dbraw/zinc/09/31/22/484093122.db2.gz LPWSOKFLTGFWKC-CMPLNLGQSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000544123514 484092909 /nfs/dbraw/zinc/09/29/09/484092909.db2.gz LPWSOKFLTGFWKC-JQWIXIFHSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000544123514 484092905 /nfs/dbraw/zinc/09/29/05/484092905.db2.gz LPWSOKFLTGFWKC-JQWIXIFHSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000544123515 484092754 /nfs/dbraw/zinc/09/27/54/484092754.db2.gz LPWSOKFLTGFWKC-PWSUYJOCSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000544123515 484092747 /nfs/dbraw/zinc/09/27/47/484092747.db2.gz LPWSOKFLTGFWKC-PWSUYJOCSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000544123516 484093801 /nfs/dbraw/zinc/09/38/01/484093801.db2.gz LPWSOKFLTGFWKC-ZYHUDNBSSA-N 1 2 350.331 -0.430 20 5 FBBDLO O=C1NC(=O)N2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000544123516 484093797 /nfs/dbraw/zinc/09/37/97/484093797.db2.gz LPWSOKFLTGFWKC-ZYHUDNBSSA-N 1 2 350.331 -0.430 20 5 FBBDLO COC(=O)c1cn(C2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000544697309 484109250 /nfs/dbraw/zinc/10/92/50/484109250.db2.gz LGNGGBLSWFJONJ-LLVKDONJSA-N 1 2 351.323 -0.913 20 5 FBBDLO COC(=O)c1cn(C2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000544697324 484109065 /nfs/dbraw/zinc/10/90/65/484109065.db2.gz LGNGGBLSWFJONJ-NSHDSACASA-N 1 2 351.323 -0.913 20 5 FBBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000545472318 484513888 /nfs/dbraw/zinc/51/38/88/484513888.db2.gz SLMIKCXUXPSNOJ-GFCCVEGCSA-N 1 2 350.379 -0.246 20 5 FBBDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000545472319 484513444 /nfs/dbraw/zinc/51/34/44/484513444.db2.gz SLMIKCXUXPSNOJ-LBPRGKRZSA-N 1 2 350.379 -0.246 20 5 FBBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000546794818 484213697 /nfs/dbraw/zinc/21/36/97/484213697.db2.gz OWSPIXVZOGJTPF-UHFFFAOYSA-N 1 2 361.362 0.353 20 5 FBBDLO C[C@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000546880436 483909975 /nfs/dbraw/zinc/90/99/75/483909975.db2.gz UOYAZZOJQHBGQK-AWEZNQCLSA-N 1 2 359.404 -0.044 20 5 FBBDLO C[C@@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000546880437 483909267 /nfs/dbraw/zinc/90/92/67/483909267.db2.gz UOYAZZOJQHBGQK-CQSZACIVSA-N 1 2 359.404 -0.044 20 5 FBBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548082177 484502763 /nfs/dbraw/zinc/50/27/63/484502763.db2.gz BDSWRIHPNAFIHU-UHFFFAOYSA-N 1 2 350.379 -0.144 20 5 FBBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548082177 484502760 /nfs/dbraw/zinc/50/27/60/484502760.db2.gz BDSWRIHPNAFIHU-UHFFFAOYSA-N 1 2 350.379 -0.144 20 5 FBBDLO Nc1nccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000548715457 484531488 /nfs/dbraw/zinc/53/14/88/484531488.db2.gz FJSHKLNWIKFFRN-UHFFFAOYSA-N 1 2 372.389 -0.086 20 5 FBBDLO Cc1nn(CCC(=O)N[C@@H](CO)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000550117003 483833810 /nfs/dbraw/zinc/83/38/10/483833810.db2.gz UBGUDDUJQQXUJW-CYBMUJFWSA-N 1 2 355.395 -0.392 20 5 FBBDLO Cc1nn(CCC(=O)N[C@H](CO)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000550117018 483833850 /nfs/dbraw/zinc/83/38/50/483833850.db2.gz UBGUDDUJQQXUJW-ZDUSSCGKSA-N 1 2 355.395 -0.392 20 5 FBBDLO CC(C)Nc1nc(NCCc2cccc([N+](=O)[O-])c2)nc(NCCO)[nH+]1 ZINC000550390060 483834896 /nfs/dbraw/zinc/83/48/96/483834896.db2.gz FEGKGGYDOCLATB-UHFFFAOYSA-N 1 2 361.406 -0.075 20 5 FBBDLO CC(C)Nc1nc(NCCO)nc(NCCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000550390060 483834894 /nfs/dbraw/zinc/83/48/94/483834894.db2.gz FEGKGGYDOCLATB-UHFFFAOYSA-N 1 2 361.406 -0.075 20 5 FBBDLO CC(C)Nc1nc(NCCO)[nH+]c(NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000550390060 483834890 /nfs/dbraw/zinc/83/48/90/483834890.db2.gz FEGKGGYDOCLATB-UHFFFAOYSA-N 1 2 361.406 -0.075 20 5 FBBDLO O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCOCC1 ZINC000552116324 484347518 /nfs/dbraw/zinc/34/75/18/484347518.db2.gz PSFGGZAONMWBOP-UHFFFAOYSA-N 1 2 372.403 -0.679 20 5 FBBDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1O ZINC000552173511 484354505 /nfs/dbraw/zinc/35/45/05/484354505.db2.gz XFLKXRJQJKCDJH-GHMZBOCLSA-N 1 2 365.350 -0.283 20 5 FBBDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1O ZINC000552173511 484354502 /nfs/dbraw/zinc/35/45/02/484354502.db2.gz XFLKXRJQJKCDJH-GHMZBOCLSA-N 1 2 365.350 -0.283 20 5 FBBDLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1O ZINC000552173512 484354645 /nfs/dbraw/zinc/35/46/45/484354645.db2.gz XFLKXRJQJKCDJH-WDEREUQCSA-N 1 2 365.350 -0.283 20 5 FBBDLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1O ZINC000552173512 484354639 /nfs/dbraw/zinc/35/46/39/484354639.db2.gz XFLKXRJQJKCDJH-WDEREUQCSA-N 1 2 365.350 -0.283 20 5 FBBDLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000552916788 484426380 /nfs/dbraw/zinc/42/63/80/484426380.db2.gz DIDAJVKCXXVJQM-CYBMUJFWSA-N 1 2 362.386 -0.074 20 5 FBBDLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000552916788 484426376 /nfs/dbraw/zinc/42/63/76/484426376.db2.gz DIDAJVKCXXVJQM-CYBMUJFWSA-N 1 2 362.386 -0.074 20 5 FBBDLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000552916789 484427988 /nfs/dbraw/zinc/42/79/88/484427988.db2.gz DIDAJVKCXXVJQM-ZDUSSCGKSA-N 1 2 362.386 -0.074 20 5 FBBDLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000552916789 484427983 /nfs/dbraw/zinc/42/79/83/484427983.db2.gz DIDAJVKCXXVJQM-ZDUSSCGKSA-N 1 2 362.386 -0.074 20 5 FBBDLO COC(=O)CC[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000553408983 484483416 /nfs/dbraw/zinc/48/34/16/484483416.db2.gz CHYYIFVVRIPXEH-GFCCVEGCSA-N 1 2 366.374 -0.148 20 5 FBBDLO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000553408983 484483414 /nfs/dbraw/zinc/48/34/14/484483414.db2.gz CHYYIFVVRIPXEH-GFCCVEGCSA-N 1 2 366.374 -0.148 20 5 FBBDLO COC(=O)CC[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000553408984 484482949 /nfs/dbraw/zinc/48/29/49/484482949.db2.gz CHYYIFVVRIPXEH-LBPRGKRZSA-N 1 2 366.374 -0.148 20 5 FBBDLO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000553408984 484482945 /nfs/dbraw/zinc/48/29/45/484482945.db2.gz CHYYIFVVRIPXEH-LBPRGKRZSA-N 1 2 366.374 -0.148 20 5 FBBDLO CCS(=O)(=O)N1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000553923687 484527084 /nfs/dbraw/zinc/52/70/84/484527084.db2.gz AJDYFTBAJNALDU-DGCLKSJQSA-N 1 2 361.424 -0.492 20 5 FBBDLO CCS(=O)(=O)N1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000553923687 484527083 /nfs/dbraw/zinc/52/70/83/484527083.db2.gz AJDYFTBAJNALDU-DGCLKSJQSA-N 1 2 361.424 -0.492 20 5 FBBDLO CCS(=O)(=O)N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000553923706 484526790 /nfs/dbraw/zinc/52/67/90/484526790.db2.gz AJDYFTBAJNALDU-YPMHNXCESA-N 1 2 361.424 -0.492 20 5 FBBDLO CCS(=O)(=O)N1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000553923706 484526780 /nfs/dbraw/zinc/52/67/80/484526780.db2.gz AJDYFTBAJNALDU-YPMHNXCESA-N 1 2 361.424 -0.492 20 5 FBBDLO Cn1c[nH+]cc1CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000554574535 484539333 /nfs/dbraw/zinc/53/93/33/484539333.db2.gz FPSRELFYRBGUDK-UHFFFAOYSA-N 1 2 367.387 -0.035 20 5 FBBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000555559294 484860402 /nfs/dbraw/zinc/86/04/02/484860402.db2.gz CILIVZGYSIUUGC-JTQLQIEISA-N 1 2 372.403 -0.307 20 5 FBBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000555559295 484860231 /nfs/dbraw/zinc/86/02/31/484860231.db2.gz CILIVZGYSIUUGC-SNVBAGLBSA-N 1 2 372.403 -0.307 20 5 FBBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000555599919 484863752 /nfs/dbraw/zinc/86/37/52/484863752.db2.gz PEZUXQIVUFFPIX-CYBMUJFWSA-N 1 2 366.374 -0.866 20 5 FBBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000555599922 484863773 /nfs/dbraw/zinc/86/37/73/484863773.db2.gz PEZUXQIVUFFPIX-ZDUSSCGKSA-N 1 2 366.374 -0.866 20 5 FBBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000555723479 484867814 /nfs/dbraw/zinc/86/78/14/484867814.db2.gz AYDFNVJVUMNUAS-UHFFFAOYSA-N 1 2 357.334 -0.043 20 5 FBBDLO CC(C)Nc1nc(NCCc2ccccc2[N+](=O)[O-])nc(NCCO)[nH+]1 ZINC000557582136 483394273 /nfs/dbraw/zinc/39/42/73/483394273.db2.gz SFOZRWUYQARTQN-UHFFFAOYSA-N 1 2 361.406 -0.075 20 5 FBBDLO CC(C)Nc1nc(NCCO)nc(NCCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000557582136 483394269 /nfs/dbraw/zinc/39/42/69/483394269.db2.gz SFOZRWUYQARTQN-UHFFFAOYSA-N 1 2 361.406 -0.075 20 5 FBBDLO CC(C)Nc1nc(NCCO)[nH+]c(NCCc2ccccc2[N+](=O)[O-])n1 ZINC000557582136 483394262 /nfs/dbraw/zinc/39/42/62/483394262.db2.gz SFOZRWUYQARTQN-UHFFFAOYSA-N 1 2 361.406 -0.075 20 5 FBBDLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000557653587 483400612 /nfs/dbraw/zinc/40/06/12/483400612.db2.gz RVMBGYLOVLUWPB-UHFFFAOYSA-N 1 2 373.373 -0.312 20 5 FBBDLO Cn1c[nH+]cc1CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000558446657 483409826 /nfs/dbraw/zinc/40/98/26/483409826.db2.gz XQEWVKKBJYDXLA-UHFFFAOYSA-N 1 2 367.387 -0.035 20 5 FBBDLO Cn1c[nH+]cc1CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000558475714 483410977 /nfs/dbraw/zinc/41/09/77/483410977.db2.gz WEPMJFLPZFLRLI-UHFFFAOYSA-N 1 2 367.387 -0.035 20 5 FBBDLO CCn1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])n1 ZINC000559138722 483429486 /nfs/dbraw/zinc/42/94/86/483429486.db2.gz IQQYLAKIHNKQEH-JTQLQIEISA-N 1 2 374.423 -0.571 20 5 FBBDLO CCn1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])n1 ZINC000559138722 483429481 /nfs/dbraw/zinc/42/94/81/483429481.db2.gz IQQYLAKIHNKQEH-JTQLQIEISA-N 1 2 374.423 -0.571 20 5 FBBDLO CCn1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])n1 ZINC000559138723 483429510 /nfs/dbraw/zinc/42/95/10/483429510.db2.gz IQQYLAKIHNKQEH-SNVBAGLBSA-N 1 2 374.423 -0.571 20 5 FBBDLO CCn1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])n1 ZINC000559138723 483429506 /nfs/dbraw/zinc/42/95/06/483429506.db2.gz IQQYLAKIHNKQEH-SNVBAGLBSA-N 1 2 374.423 -0.571 20 5 FBBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000559278647 483485685 /nfs/dbraw/zinc/48/56/85/483485685.db2.gz FJKCLRZMZFOTML-UHFFFAOYSA-N 1 2 372.403 -0.354 20 5 FBBDLO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000561403479 484196616 /nfs/dbraw/zinc/19/66/16/484196616.db2.gz BWIXJSIGUMACHR-UHFFFAOYSA-N 1 2 361.362 0.361 20 5 FBBDLO CCNC(=O)C[N@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000563488454 661724480 /nfs/dbraw/zinc/72/44/80/661724480.db2.gz XDVVFIJDSDQQTQ-UHFFFAOYSA-N 1 2 350.379 -0.263 20 5 FBBDLO CCNC(=O)C[N@@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000563488454 661724477 /nfs/dbraw/zinc/72/44/77/661724477.db2.gz XDVVFIJDSDQQTQ-UHFFFAOYSA-N 1 2 350.379 -0.263 20 5 FBBDLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000564293303 484410111 /nfs/dbraw/zinc/41/01/11/484410111.db2.gz FTRGRZCLLWXYMP-GFCCVEGCSA-N 1 2 374.419 -0.584 20 5 FBBDLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000564293304 484409426 /nfs/dbraw/zinc/40/94/26/484409426.db2.gz FTRGRZCLLWXYMP-LBPRGKRZSA-N 1 2 374.419 -0.584 20 5 FBBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000564954128 484412293 /nfs/dbraw/zinc/41/22/93/484412293.db2.gz OGHMVZBDJFNWPC-UHFFFAOYSA-N 1 2 370.387 -0.640 20 5 FBBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000565180510 484356479 /nfs/dbraw/zinc/35/64/79/484356479.db2.gz XFHOCGULGQERKQ-UHFFFAOYSA-N 1 2 364.406 0.316 20 5 FBBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000565180510 484356474 /nfs/dbraw/zinc/35/64/74/484356474.db2.gz XFHOCGULGQERKQ-UHFFFAOYSA-N 1 2 364.406 0.316 20 5 FBBDLO CNc1nccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000565184477 484204263 /nfs/dbraw/zinc/20/42/63/484204263.db2.gz ADTJYMJRRKSCRI-LLVKDONJSA-N 1 2 353.379 -0.203 20 5 FBBDLO CNc1nccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000565184479 484203436 /nfs/dbraw/zinc/20/34/36/484203436.db2.gz ADTJYMJRRKSCRI-NSHDSACASA-N 1 2 353.379 -0.203 20 5 FBBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000565612678 484416954 /nfs/dbraw/zinc/41/69/54/484416954.db2.gz KPHIERIWDXHMFX-DZGCQCFKSA-N 1 2 371.415 -0.112 20 5 FBBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000565612686 484417483 /nfs/dbraw/zinc/41/74/83/484417483.db2.gz KPHIERIWDXHMFX-HIFRSBDPSA-N 1 2 371.415 -0.112 20 5 FBBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000565612687 484416887 /nfs/dbraw/zinc/41/68/87/484416887.db2.gz KPHIERIWDXHMFX-UKRRQHHQSA-N 1 2 371.415 -0.112 20 5 FBBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000565612690 484417091 /nfs/dbraw/zinc/41/70/91/484417091.db2.gz KPHIERIWDXHMFX-ZFWWWQNUSA-N 1 2 371.415 -0.112 20 5 FBBDLO CNc1nccc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000566439877 484209146 /nfs/dbraw/zinc/20/91/46/484209146.db2.gz QIMDOVIIHRBJOT-UHFFFAOYSA-N 1 2 350.379 -0.075 20 5 FBBDLO CNc1nccc(C(=O)N2CC[NH+](C(COC)COC)CC2)c1[N+](=O)[O-] ZINC000566805324 484206077 /nfs/dbraw/zinc/20/60/77/484206077.db2.gz GPAXMANROPXCEU-UHFFFAOYSA-N 1 2 367.406 0.451 20 5 FBBDLO Nc1nccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000567177967 484531813 /nfs/dbraw/zinc/53/18/13/484531813.db2.gz SAICMUKSFAGHNS-GFCCVEGCSA-N 1 2 365.390 0.135 20 5 FBBDLO Nc1nccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000567177968 484531238 /nfs/dbraw/zinc/53/12/38/484531238.db2.gz SAICMUKSFAGHNS-LBPRGKRZSA-N 1 2 365.390 0.135 20 5 FBBDLO NC(=O)[C@]1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCOC1 ZINC000568103571 483833517 /nfs/dbraw/zinc/83/35/17/483833517.db2.gz BGYYEZMOMLDANT-AWEZNQCLSA-N 1 2 352.303 -0.504 20 5 FBBDLO NC(=O)[C@@]1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCOC1 ZINC000568103572 483833635 /nfs/dbraw/zinc/83/36/35/483833635.db2.gz BGYYEZMOMLDANT-CQSZACIVSA-N 1 2 352.303 -0.504 20 5 FBBDLO NC(=O)C1(O)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568115462 483833704 /nfs/dbraw/zinc/83/37/04/483833704.db2.gz INHBQYXAUJAVSS-UHFFFAOYSA-N 1 2 357.388 -0.319 20 5 FBBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000569516637 483878726 /nfs/dbraw/zinc/87/87/26/483878726.db2.gz IKJRRFNRMVEHBK-JTQLQIEISA-N 1 2 362.390 -0.122 20 5 FBBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000569516642 483878635 /nfs/dbraw/zinc/87/86/35/483878635.db2.gz IKJRRFNRMVEHBK-SNVBAGLBSA-N 1 2 362.390 -0.122 20 5 FBBDLO O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCOCC1 ZINC000570280083 483881028 /nfs/dbraw/zinc/88/10/28/483881028.db2.gz YNLMIGSMTBXLGE-UHFFFAOYSA-N 1 2 372.403 -0.679 20 5 FBBDLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000571058780 483891526 /nfs/dbraw/zinc/89/15/26/483891526.db2.gz BSCJKCNBFXAQJP-ZWNOBZJWSA-N 1 2 366.355 -0.332 20 5 FBBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000571339953 483892576 /nfs/dbraw/zinc/89/25/76/483892576.db2.gz QLMDCLTZRQCHQV-UHFFFAOYSA-N 1 2 357.392 -0.522 20 5 FBBDLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000572780503 483997635 /nfs/dbraw/zinc/99/76/35/483997635.db2.gz MRRQBLVLEUOISW-ZWNOBZJWSA-N 1 2 366.355 -0.332 20 5 FBBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000572880597 483884683 /nfs/dbraw/zinc/88/46/83/483884683.db2.gz FANLNCJKSBBFTH-VXGBXAGGSA-N 1 2 364.401 -0.884 20 5 FBBDLO COc1ccc(NC(=O)C[NH+]2CCC(O)(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000572990748 483941685 /nfs/dbraw/zinc/94/16/85/483941685.db2.gz DAMBLNQIPDBNDH-UHFFFAOYSA-N 1 2 352.347 -0.146 20 5 FBBDLO CNc1nccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000573218814 484209772 /nfs/dbraw/zinc/20/97/72/484209772.db2.gz PSOLTNYRNAHUOT-HNNXBMFYSA-N 1 2 353.379 -0.156 20 5 FBBDLO CNc1nccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000573218815 484209674 /nfs/dbraw/zinc/20/96/74/484209674.db2.gz PSOLTNYRNAHUOT-OAHLLOKOSA-N 1 2 353.379 -0.156 20 5 FBBDLO NC(=O)c1ccnc(Nc2ccn(CC[NH+]3CCOCC3)n2)c1[N+](=O)[O-] ZINC000574923134 484202530 /nfs/dbraw/zinc/20/25/30/484202530.db2.gz BCODALCRDGDFEE-UHFFFAOYSA-N 1 2 361.362 0.361 20 5 FBBDLO COc1ccc(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000575041212 484103201 /nfs/dbraw/zinc/10/32/01/484103201.db2.gz RNQHMCSXENIMJF-CYBMUJFWSA-N 1 2 353.375 -0.045 20 5 FBBDLO COc1ccc(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000575041213 484102794 /nfs/dbraw/zinc/10/27/94/484102794.db2.gz RNQHMCSXENIMJF-ZDUSSCGKSA-N 1 2 353.375 -0.045 20 5 FBBDLO NS(=O)(=O)c1c(NCCC[N@H+]2CCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000576525443 485244955 /nfs/dbraw/zinc/24/49/55/485244955.db2.gz PZHYDZLGGBUMGQ-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO NS(=O)(=O)c1c(NCCC[N@@H+]2CCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000576525443 485244949 /nfs/dbraw/zinc/24/49/49/485244949.db2.gz PZHYDZLGGBUMGQ-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO NC(=O)c1ccnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000578269034 483460219 /nfs/dbraw/zinc/46/02/19/483460219.db2.gz QDTOOIPWZSPPTO-UHFFFAOYSA-N 1 2 362.390 -0.167 20 5 FBBDLO CC(C)Nc1nc(NCCc2ccc([N+](=O)[O-])cc2)nc(NCCO)[nH+]1 ZINC000579266964 483620992 /nfs/dbraw/zinc/62/09/92/483620992.db2.gz WHCOAAGZUWQQNI-UHFFFAOYSA-N 1 2 361.406 -0.075 20 5 FBBDLO CC(C)Nc1nc(NCCO)nc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000579266964 483620987 /nfs/dbraw/zinc/62/09/87/483620987.db2.gz WHCOAAGZUWQQNI-UHFFFAOYSA-N 1 2 361.406 -0.075 20 5 FBBDLO CC(C)Nc1nc(NCCO)[nH+]c(NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000579266964 483620978 /nfs/dbraw/zinc/62/09/78/483620978.db2.gz WHCOAAGZUWQQNI-UHFFFAOYSA-N 1 2 361.406 -0.075 20 5 FBBDLO O=C(CNC(=O)COc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCOCC1 ZINC000581625730 484245144 /nfs/dbraw/zinc/24/51/44/484245144.db2.gz XDZHZUAXYHZXGY-UHFFFAOYSA-N 1 2 366.374 -0.462 20 5 FBBDLO CNc1nccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1[N+](=O)[O-] ZINC000582914682 484206990 /nfs/dbraw/zinc/20/69/90/484206990.db2.gz IPSPZMLYECKWJV-UHFFFAOYSA-N 1 2 360.378 0.081 20 5 FBBDLO COCC(COC)[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000583703258 484504312 /nfs/dbraw/zinc/50/43/12/484504312.db2.gz RMNWHUJCDRWNTD-UHFFFAOYSA-N 1 2 353.379 -0.009 20 5 FBBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000585682872 484135929 /nfs/dbraw/zinc/13/59/29/484135929.db2.gz VGWXSIZTJHOADM-HNNXBMFYSA-N 1 2 361.402 -0.169 20 5 FBBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000585682872 484135916 /nfs/dbraw/zinc/13/59/16/484135916.db2.gz VGWXSIZTJHOADM-HNNXBMFYSA-N 1 2 361.402 -0.169 20 5 FBBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000585682873 484128462 /nfs/dbraw/zinc/12/84/62/484128462.db2.gz VGWXSIZTJHOADM-OAHLLOKOSA-N 1 2 361.402 -0.169 20 5 FBBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000585682873 484128456 /nfs/dbraw/zinc/12/84/56/484128456.db2.gz VGWXSIZTJHOADM-OAHLLOKOSA-N 1 2 361.402 -0.169 20 5 FBBDLO CS(=O)(=O)N1CC[NH+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587439381 484294193 /nfs/dbraw/zinc/29/41/93/484294193.db2.gz ZJFNTHDAAULXLK-UHFFFAOYSA-N 1 2 373.435 -0.342 20 5 FBBDLO CC(=O)N1CC[NH+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000589106057 484596386 /nfs/dbraw/zinc/59/63/86/484596386.db2.gz CBBFUHSIQCLEPK-UHFFFAOYSA-N 1 2 371.419 -0.182 20 5 FBBDLO CNC(=O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000589106091 484595807 /nfs/dbraw/zinc/59/58/07/484595807.db2.gz CQALJFVSXWEYJA-UHFFFAOYSA-N 1 2 357.392 -0.890 20 5 FBBDLO CN(CC(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000590542339 484700713 /nfs/dbraw/zinc/70/07/13/484700713.db2.gz XDOVARCZWOXCMP-CYBMUJFWSA-N 1 2 352.391 -0.160 20 5 FBBDLO CN(CC(=O)N[C@H](CO)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000590542340 484700314 /nfs/dbraw/zinc/70/03/14/484700314.db2.gz XDOVARCZWOXCMP-ZDUSSCGKSA-N 1 2 352.391 -0.160 20 5 FBBDLO Nc1ccc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000590570724 484708774 /nfs/dbraw/zinc/70/87/74/484708774.db2.gz XCGKPWNHQMNAJH-UHFFFAOYSA-N 1 2 350.379 -0.447 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000590586644 484714298 /nfs/dbraw/zinc/71/42/98/484714298.db2.gz OYQAIFYBGQOBLF-GFCCVEGCSA-N 1 2 374.419 -0.629 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000590586648 484714641 /nfs/dbraw/zinc/71/46/41/484714641.db2.gz OYQAIFYBGQOBLF-LBPRGKRZSA-N 1 2 374.419 -0.629 20 5 FBBDLO COC(=O)c1ccnc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000590586676 484716305 /nfs/dbraw/zinc/71/63/05/484716305.db2.gz PYCJMSQYURMXQE-LLVKDONJSA-N 1 2 354.363 -0.094 20 5 FBBDLO COC(=O)c1ccnc(N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000590586678 484715624 /nfs/dbraw/zinc/71/56/24/484715624.db2.gz PYCJMSQYURMXQE-NSHDSACASA-N 1 2 354.363 -0.094 20 5 FBBDLO COCCOCC[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000593382288 485109133 /nfs/dbraw/zinc/10/91/33/485109133.db2.gz TWVJEFSVOJHCEI-UHFFFAOYSA-N 1 2 370.410 -0.219 20 5 FBBDLO O=C(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCOCC1 ZINC000593461245 485120396 /nfs/dbraw/zinc/12/03/96/485120396.db2.gz OKAPOQHDFSXNHH-UHFFFAOYSA-N 1 2 368.365 -0.159 20 5 FBBDLO COCCOCC[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000593517429 485134186 /nfs/dbraw/zinc/13/41/86/485134186.db2.gz KMKQQBOFYATZOI-UHFFFAOYSA-N 1 2 353.379 -0.126 20 5 FBBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593530485 485137496 /nfs/dbraw/zinc/13/74/96/485137496.db2.gz IZUMVXDQQQKGRM-UHFFFAOYSA-N 1 2 357.392 -0.522 20 5 FBBDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593541032 485140095 /nfs/dbraw/zinc/14/00/95/485140095.db2.gz HNHXDGPLVPGTBQ-UHFFFAOYSA-N 1 2 371.419 -0.179 20 5 FBBDLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593562482 485143901 /nfs/dbraw/zinc/14/39/01/485143901.db2.gz LQPHZSAUWFPTAY-UHFFFAOYSA-N 1 2 371.419 -0.226 20 5 FBBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000593606160 485152592 /nfs/dbraw/zinc/15/25/92/485152592.db2.gz AQCWZLDHWPMKEP-JTQLQIEISA-N 1 2 358.376 -0.285 20 5 FBBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000593606160 485152586 /nfs/dbraw/zinc/15/25/86/485152586.db2.gz AQCWZLDHWPMKEP-JTQLQIEISA-N 1 2 358.376 -0.285 20 5 FBBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000593606161 485152827 /nfs/dbraw/zinc/15/28/27/485152827.db2.gz AQCWZLDHWPMKEP-SNVBAGLBSA-N 1 2 358.376 -0.285 20 5 FBBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000593606161 485152824 /nfs/dbraw/zinc/15/28/24/485152824.db2.gz AQCWZLDHWPMKEP-SNVBAGLBSA-N 1 2 358.376 -0.285 20 5 FBBDLO COCCOCC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000593887229 485203319 /nfs/dbraw/zinc/20/33/19/485203319.db2.gz QKOVFWMABFFJSS-UHFFFAOYSA-N 1 2 368.390 -0.436 20 5 FBBDLO COCCOCC[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000593887386 485203074 /nfs/dbraw/zinc/20/30/74/485203074.db2.gz RZPCUJRDSOTENV-UHFFFAOYSA-N 1 2 355.395 -0.011 20 5 FBBDLO COCCOCC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000593887562 485202906 /nfs/dbraw/zinc/20/29/06/485202906.db2.gz VRJCIIOOHNTBHR-UHFFFAOYSA-N 1 2 355.395 -0.093 20 5 FBBDLO CNc1nccc(C(=O)N(CCO)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000594321102 484204653 /nfs/dbraw/zinc/20/46/53/484204653.db2.gz CDGLIAMGAYQMQC-UHFFFAOYSA-N 1 2 353.379 -0.202 20 5 FBBDLO CNc1nccc(C(=O)N2CC[NH+](CCOCCOC)CC2)c1[N+](=O)[O-] ZINC000594371450 484207133 /nfs/dbraw/zinc/20/71/33/484207133.db2.gz BQRLOWZPXMCNMS-UHFFFAOYSA-N 1 2 367.406 0.452 20 5 FBBDLO COCCOCC[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594372148 484506089 /nfs/dbraw/zinc/50/60/89/484506089.db2.gz JFCVWMYJEKQLJU-UHFFFAOYSA-N 1 2 353.379 -0.007 20 5 FBBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594745283 483935863 /nfs/dbraw/zinc/93/58/63/483935863.db2.gz DVIISWCKOFRHNI-UHFFFAOYSA-N 1 2 357.392 -0.522 20 5 FBBDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594753841 483937931 /nfs/dbraw/zinc/93/79/31/483937931.db2.gz FOUZNFGASPOMBE-UHFFFAOYSA-N 1 2 371.419 -0.179 20 5 FBBDLO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594756255 483939957 /nfs/dbraw/zinc/93/99/57/483939957.db2.gz WJHOMGWLESEBSP-UHFFFAOYSA-N 1 2 357.392 -0.568 20 5 FBBDLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594761252 483943125 /nfs/dbraw/zinc/94/31/25/483943125.db2.gz UWVQZQBYAAOEFZ-UHFFFAOYSA-N 1 2 371.419 -0.226 20 5 FBBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000594784315 483953612 /nfs/dbraw/zinc/95/36/12/483953612.db2.gz UHABGZSDRRBZHS-JTQLQIEISA-N 1 2 358.376 -0.285 20 5 FBBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000594784315 483953606 /nfs/dbraw/zinc/95/36/06/483953606.db2.gz UHABGZSDRRBZHS-JTQLQIEISA-N 1 2 358.376 -0.285 20 5 FBBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000594784316 483953664 /nfs/dbraw/zinc/95/36/64/483953664.db2.gz UHABGZSDRRBZHS-SNVBAGLBSA-N 1 2 358.376 -0.285 20 5 FBBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000594784316 483953661 /nfs/dbraw/zinc/95/36/61/483953661.db2.gz UHABGZSDRRBZHS-SNVBAGLBSA-N 1 2 358.376 -0.285 20 5 FBBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000595790938 484108423 /nfs/dbraw/zinc/10/84/23/484108423.db2.gz RDLORTKQPJLDEA-YUTCNCBUSA-N 1 2 369.399 -0.063 20 5 FBBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000595790938 484108418 /nfs/dbraw/zinc/10/84/18/484108418.db2.gz RDLORTKQPJLDEA-YUTCNCBUSA-N 1 2 369.399 -0.063 20 5 FBBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]21 ZINC000595792163 484109390 /nfs/dbraw/zinc/10/93/90/484109390.db2.gz YEXNRDHVFJMQMP-XQQFMLRXSA-N 1 2 357.388 -0.500 20 5 FBBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]21 ZINC000595792163 484109383 /nfs/dbraw/zinc/10/93/83/484109383.db2.gz YEXNRDHVFJMQMP-XQQFMLRXSA-N 1 2 357.388 -0.500 20 5 FBBDLO O=C(C[N@@H+]1CCC(CO)(CO)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595801363 484108033 /nfs/dbraw/zinc/10/80/33/484108033.db2.gz VSOGJWGZXFNDIP-UHFFFAOYSA-N 1 2 353.331 -0.061 20 5 FBBDLO O=C(C[N@H+]1CCC(CO)(CO)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595801363 484108026 /nfs/dbraw/zinc/10/80/26/484108026.db2.gz VSOGJWGZXFNDIP-UHFFFAOYSA-N 1 2 353.331 -0.061 20 5 FBBDLO CN(C)C(=O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596057886 484135517 /nfs/dbraw/zinc/13/55/17/484135517.db2.gz CULQAHPNKZWFGZ-UHFFFAOYSA-N 1 2 371.419 -0.548 20 5 FBBDLO O=C(C[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000596058881 484137052 /nfs/dbraw/zinc/13/70/52/484137052.db2.gz LAPYHRDIDFHJPS-UHFFFAOYSA-N 1 2 351.363 -0.324 20 5 FBBDLO COCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596068634 484136512 /nfs/dbraw/zinc/13/65/12/484136512.db2.gz WVBQXYRDFZFRLN-UHFFFAOYSA-N 1 2 365.390 -0.422 20 5 FBBDLO CCNC(=O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596070897 484137831 /nfs/dbraw/zinc/13/78/31/484137831.db2.gz IAPNCDOMSSTJEN-UHFFFAOYSA-N 1 2 371.419 -0.500 20 5 FBBDLO CS(=O)(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596088324 484140204 /nfs/dbraw/zinc/14/02/04/484140204.db2.gz KXUBIDSJGNNURG-UHFFFAOYSA-N 1 2 371.419 -0.317 20 5 FBBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596151189 484151069 /nfs/dbraw/zinc/15/10/69/484151069.db2.gz AUGRLPMYKAJODG-UHFFFAOYSA-N 1 2 371.419 -0.372 20 5 FBBDLO NS(=O)(=O)c1ccc(NCCC[N@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000596173123 484156024 /nfs/dbraw/zinc/15/60/24/484156024.db2.gz QIZLBHMTSIDNCZ-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO NS(=O)(=O)c1ccc(NCCC[N@@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000596173123 484156019 /nfs/dbraw/zinc/15/60/19/484156019.db2.gz QIZLBHMTSIDNCZ-UHFFFAOYSA-N 1 2 357.392 -0.524 20 5 FBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000596621834 484202744 /nfs/dbraw/zinc/20/27/44/484202744.db2.gz PRTIQQNXMYRMPD-PWSUYJOCSA-N 1 2 350.331 -0.187 20 5 FBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000596621834 484202739 /nfs/dbraw/zinc/20/27/39/484202739.db2.gz PRTIQQNXMYRMPD-PWSUYJOCSA-N 1 2 350.331 -0.187 20 5 FBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000597676618 484234019 /nfs/dbraw/zinc/23/40/19/484234019.db2.gz AVWHGHLJUDVPDO-GFCCVEGCSA-N 1 2 370.435 -0.147 20 5 FBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000597676619 484233953 /nfs/dbraw/zinc/23/39/53/484233953.db2.gz AVWHGHLJUDVPDO-LBPRGKRZSA-N 1 2 370.435 -0.147 20 5 FBBDLO COCC[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598585570 483472947 /nfs/dbraw/zinc/47/29/47/483472947.db2.gz GBGHIQBWUVMFQR-UHFFFAOYSA-N 1 2 352.395 -0.010 20 5 FBBDLO CN(CC[NH+]1CCOCC1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592390 483476555 /nfs/dbraw/zinc/47/65/55/483476555.db2.gz HIJMHFFZVPTDTP-UHFFFAOYSA-N 1 2 352.395 -0.010 20 5 FBBDLO O=C1C[N@@H+](CCCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1 ZINC000598606690 483488131 /nfs/dbraw/zinc/48/81/31/483488131.db2.gz IRUVYRGRMVJBDB-UHFFFAOYSA-N 1 2 365.394 -0.545 20 5 FBBDLO O=C1C[N@H+](CCCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1 ZINC000598606690 483488124 /nfs/dbraw/zinc/48/81/24/483488124.db2.gz IRUVYRGRMVJBDB-UHFFFAOYSA-N 1 2 365.394 -0.545 20 5 FBBDLO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1Cc2c[nH+]cn2C1 ZINC000598946963 483534298 /nfs/dbraw/zinc/53/42/98/483534298.db2.gz JUOQKIXLCBJORJ-JTQLQIEISA-N 1 2 365.371 -0.189 20 5 FBBDLO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598946964 483534886 /nfs/dbraw/zinc/53/48/86/483534886.db2.gz JUOQKIXLCBJORJ-SNVBAGLBSA-N 1 2 365.371 -0.189 20 5 FBBDLO COc1cc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])cc1O ZINC000599015656 483536724 /nfs/dbraw/zinc/53/67/24/483536724.db2.gz IRLIUTKWHDLDCD-UHFFFAOYSA-N 1 2 360.392 -0.111 20 5 FBBDLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000599017680 483536188 /nfs/dbraw/zinc/53/61/88/483536188.db2.gz ZOSJSTQSCIKXCO-UHFFFAOYSA-N 1 2 372.403 -0.054 20 5 FBBDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212482 483540725 /nfs/dbraw/zinc/54/07/25/483540725.db2.gz BJFRSGWNDXOVIY-LLVKDONJSA-N 1 2 361.424 -0.037 20 5 FBBDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212482 483540721 /nfs/dbraw/zinc/54/07/21/483540721.db2.gz BJFRSGWNDXOVIY-LLVKDONJSA-N 1 2 361.424 -0.037 20 5 FBBDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212483 483541132 /nfs/dbraw/zinc/54/11/32/483541132.db2.gz BJFRSGWNDXOVIY-NSHDSACASA-N 1 2 361.424 -0.037 20 5 FBBDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212483 483541127 /nfs/dbraw/zinc/54/11/27/483541127.db2.gz BJFRSGWNDXOVIY-NSHDSACASA-N 1 2 361.424 -0.037 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)n1 ZINC000599215464 483540397 /nfs/dbraw/zinc/54/03/97/483540397.db2.gz DNVHYGFDOATCMJ-UHFFFAOYSA-N 1 2 360.440 -0.366 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)n1 ZINC000599215464 483540386 /nfs/dbraw/zinc/54/03/86/483540386.db2.gz DNVHYGFDOATCMJ-UHFFFAOYSA-N 1 2 360.440 -0.366 20 5 FBBDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599229746 483542211 /nfs/dbraw/zinc/54/22/11/483542211.db2.gz YTSCASJCQNRQLF-UHFFFAOYSA-N 1 2 374.423 -0.841 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000599234664 483542003 /nfs/dbraw/zinc/54/20/03/483542003.db2.gz ZEHBQDAGMRZHNN-UHFFFAOYSA-N 1 2 369.407 -0.432 20 5 FBBDLO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000599240627 483541863 /nfs/dbraw/zinc/54/18/63/483541863.db2.gz CCNIMXUXVPYVLI-LLVKDONJSA-N 1 2 360.440 -0.510 20 5 FBBDLO C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000599240630 483541758 /nfs/dbraw/zinc/54/17/58/483541758.db2.gz CCNIMXUXVPYVLI-NSHDSACASA-N 1 2 360.440 -0.510 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000599241406 483542283 /nfs/dbraw/zinc/54/22/83/483542283.db2.gz HTTWLRYKCTZHDZ-LLVKDONJSA-N 1 2 359.408 -0.329 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000599241407 483542180 /nfs/dbraw/zinc/54/21/80/483542180.db2.gz HTTWLRYKCTZHDZ-NSHDSACASA-N 1 2 359.408 -0.329 20 5 FBBDLO CC(C)[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000599242515 483542732 /nfs/dbraw/zinc/54/27/32/483542732.db2.gz NCLMOACTMQHAFY-GFCCVEGCSA-N 1 2 374.467 -0.121 20 5 FBBDLO CC(C)[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000599242516 483541700 /nfs/dbraw/zinc/54/17/00/483541700.db2.gz NCLMOACTMQHAFY-LBPRGKRZSA-N 1 2 374.467 -0.121 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000599249789 483544127 /nfs/dbraw/zinc/54/41/27/483544127.db2.gz ZSVDRQRXWCGQPS-UHFFFAOYSA-N 1 2 359.408 -0.186 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000599251137 483543748 /nfs/dbraw/zinc/54/37/48/483543748.db2.gz GNIJNOIXTMBUGE-LLVKDONJSA-N 1 2 359.408 -0.329 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000599251138 483543439 /nfs/dbraw/zinc/54/34/39/483543439.db2.gz GNIJNOIXTMBUGE-NSHDSACASA-N 1 2 359.408 -0.329 20 5 FBBDLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599259477 483543899 /nfs/dbraw/zinc/54/38/99/483543899.db2.gz VUJGCOORBFICSW-UHFFFAOYSA-N 1 2 374.423 -0.887 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000599274722 483545108 /nfs/dbraw/zinc/54/51/08/483545108.db2.gz YVCWAERTOBKLQH-CMPLNLGQSA-N 1 2 359.408 -0.452 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000599274723 483545516 /nfs/dbraw/zinc/54/55/16/483545516.db2.gz YVCWAERTOBKLQH-JQWIXIFHSA-N 1 2 359.408 -0.452 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000599274724 483545351 /nfs/dbraw/zinc/54/53/51/483545351.db2.gz YVCWAERTOBKLQH-PWSUYJOCSA-N 1 2 359.408 -0.452 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000599274725 483545430 /nfs/dbraw/zinc/54/54/30/483545430.db2.gz YVCWAERTOBKLQH-ZYHUDNBSSA-N 1 2 359.408 -0.452 20 5 FBBDLO Cc1nc(N2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000599276980 483545587 /nfs/dbraw/zinc/54/55/87/483545587.db2.gz DEVUMBNMSZSSFX-UHFFFAOYSA-N 1 2 367.391 -0.062 20 5 FBBDLO C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000599286042 483545558 /nfs/dbraw/zinc/54/55/58/483545558.db2.gz ARLAPPAIOGCKDK-JTQLQIEISA-N 1 2 361.424 -0.206 20 5 FBBDLO C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000599286042 483545554 /nfs/dbraw/zinc/54/55/54/483545554.db2.gz ARLAPPAIOGCKDK-JTQLQIEISA-N 1 2 361.424 -0.206 20 5 FBBDLO C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000599286043 483545131 /nfs/dbraw/zinc/54/51/31/483545131.db2.gz ARLAPPAIOGCKDK-SNVBAGLBSA-N 1 2 361.424 -0.206 20 5 FBBDLO C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000599286043 483545128 /nfs/dbraw/zinc/54/51/28/483545128.db2.gz ARLAPPAIOGCKDK-SNVBAGLBSA-N 1 2 361.424 -0.206 20 5 FBBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599289034 483545306 /nfs/dbraw/zinc/54/53/06/483545306.db2.gz ZXNZEGQRKGSFLA-JTQLQIEISA-N 1 2 361.424 -0.206 20 5 FBBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599289034 483545304 /nfs/dbraw/zinc/54/53/04/483545304.db2.gz ZXNZEGQRKGSFLA-JTQLQIEISA-N 1 2 361.424 -0.206 20 5 FBBDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599289035 483545489 /nfs/dbraw/zinc/54/54/89/483545489.db2.gz ZXNZEGQRKGSFLA-SNVBAGLBSA-N 1 2 361.424 -0.206 20 5 FBBDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599289035 483545486 /nfs/dbraw/zinc/54/54/86/483545486.db2.gz ZXNZEGQRKGSFLA-SNVBAGLBSA-N 1 2 361.424 -0.206 20 5 FBBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000599326040 483540029 /nfs/dbraw/zinc/54/00/29/483540029.db2.gz HZGVRSJEVXPNGF-SECBINFHSA-N 1 2 361.380 -0.946 20 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NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599395234 483548406 /nfs/dbraw/zinc/54/84/06/483548406.db2.gz FLQNPONLUWXNKE-JTQLQIEISA-N 1 2 357.392 -0.392 20 5 FBBDLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599395234 483548403 /nfs/dbraw/zinc/54/84/03/483548403.db2.gz FLQNPONLUWXNKE-JTQLQIEISA-N 1 2 357.392 -0.392 20 5 FBBDLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599396017 483809446 /nfs/dbraw/zinc/80/94/46/483809446.db2.gz OPHSYLUBWOZPCY-NSHDSACASA-N 1 2 357.392 -0.392 20 5 FBBDLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599396017 483809444 /nfs/dbraw/zinc/80/94/44/483809444.db2.gz OPHSYLUBWOZPCY-NSHDSACASA-N 1 2 357.392 -0.392 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)n1 ZINC000599500666 483549468 /nfs/dbraw/zinc/54/94/68/483549468.db2.gz UKRHIPBNBYTCLH-UHFFFAOYSA-N 1 2 359.408 -0.186 20 5 FBBDLO O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599530911 483550468 /nfs/dbraw/zinc/55/04/68/483550468.db2.gz CLJHFDCDWHEZOZ-UWVGGRQHSA-N 1 2 353.331 -0.205 20 5 FBBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000599537853 483813121 /nfs/dbraw/zinc/81/31/21/483813121.db2.gz SSIFGTGDJGPYQF-GFCCVEGCSA-N 1 2 359.408 -0.738 20 5 FBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000599537854 483552123 /nfs/dbraw/zinc/55/21/23/483552123.db2.gz SSIFGTGDJGPYQF-LBPRGKRZSA-N 1 2 359.408 -0.738 20 5 FBBDLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599539541 483551857 /nfs/dbraw/zinc/55/18/57/483551857.db2.gz HELJYJZOCUWMFP-DZGCQCFKSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599539541 483551854 /nfs/dbraw/zinc/55/18/54/483551854.db2.gz HELJYJZOCUWMFP-DZGCQCFKSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599539542 483552227 /nfs/dbraw/zinc/55/22/27/483552227.db2.gz HELJYJZOCUWMFP-HIFRSBDPSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599539542 483552224 /nfs/dbraw/zinc/55/22/24/483552224.db2.gz HELJYJZOCUWMFP-HIFRSBDPSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599539543 483552076 /nfs/dbraw/zinc/55/20/76/483552076.db2.gz HELJYJZOCUWMFP-UKRRQHHQSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599539543 483552074 /nfs/dbraw/zinc/55/20/74/483552074.db2.gz HELJYJZOCUWMFP-UKRRQHHQSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599539544 483551579 /nfs/dbraw/zinc/55/15/79/483551579.db2.gz HELJYJZOCUWMFP-ZFWWWQNUSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599539544 483551577 /nfs/dbraw/zinc/55/15/77/483551577.db2.gz HELJYJZOCUWMFP-ZFWWWQNUSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599540336 483552283 /nfs/dbraw/zinc/55/22/83/483552283.db2.gz YZFAIXXBJMAZBV-CHWSQXEVSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599540336 483552279 /nfs/dbraw/zinc/55/22/79/483552279.db2.gz YZFAIXXBJMAZBV-CHWSQXEVSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599540337 483552306 /nfs/dbraw/zinc/55/23/06/483552306.db2.gz YZFAIXXBJMAZBV-OLZOCXBDSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599540337 483552302 /nfs/dbraw/zinc/55/23/02/483552302.db2.gz YZFAIXXBJMAZBV-OLZOCXBDSA-N 1 2 368.390 -0.036 20 5 FBBDLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599540338 483551883 /nfs/dbraw/zinc/55/18/83/483551883.db2.gz YZFAIXXBJMAZBV-QWHCGFSZSA-N 1 2 368.390 -0.036 20 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COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599577825 483551897 /nfs/dbraw/zinc/55/18/97/483551897.db2.gz AJQPMQXJZLVGOG-RAIGVLPGSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599577825 483551892 /nfs/dbraw/zinc/55/18/92/483551892.db2.gz AJQPMQXJZLVGOG-RAIGVLPGSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599577826 483551536 /nfs/dbraw/zinc/55/15/36/483551536.db2.gz AJQPMQXJZLVGOG-RTXFEEFZSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599577826 483551534 /nfs/dbraw/zinc/55/15/34/483551534.db2.gz AJQPMQXJZLVGOG-RTXFEEFZSA-N 1 2 370.362 -0.421 20 5 FBBDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599577827 483551773 /nfs/dbraw/zinc/55/17/73/483551773.db2.gz AJQPMQXJZLVGOG-WXHSDQCUSA-N 1 2 370.362 -0.421 20 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C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000600230636 484927821 /nfs/dbraw/zinc/92/78/21/484927821.db2.gz AAJLOIINOINNSY-OAHLLOKOSA-N 1 2 353.379 -0.477 20 5 FBBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000600230636 484927814 /nfs/dbraw/zinc/92/78/14/484927814.db2.gz AAJLOIINOINNSY-OAHLLOKOSA-N 1 2 353.379 -0.477 20 5 FBBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000600231250 484927941 /nfs/dbraw/zinc/92/79/41/484927941.db2.gz HZAPJBOVUTYYIG-INIZCTEOSA-N 1 2 367.406 -0.087 20 5 FBBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000600231250 484927935 /nfs/dbraw/zinc/92/79/35/484927935.db2.gz HZAPJBOVUTYYIG-INIZCTEOSA-N 1 2 367.406 -0.087 20 5 FBBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000600231251 484928069 /nfs/dbraw/zinc/92/80/69/484928069.db2.gz HZAPJBOVUTYYIG-MRXNPFEDSA-N 1 2 367.406 -0.087 20 5 FBBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000600231251 484928067 /nfs/dbraw/zinc/92/80/67/484928067.db2.gz HZAPJBOVUTYYIG-MRXNPFEDSA-N 1 2 367.406 -0.087 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600231486 484927582 /nfs/dbraw/zinc/92/75/82/484927582.db2.gz IOJAGBHIOVMWKO-INIZCTEOSA-N 1 2 367.406 -0.168 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600231486 484927574 /nfs/dbraw/zinc/92/75/74/484927574.db2.gz IOJAGBHIOVMWKO-INIZCTEOSA-N 1 2 367.406 -0.168 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600231492 484927891 /nfs/dbraw/zinc/92/78/91/484927891.db2.gz IOJAGBHIOVMWKO-MRXNPFEDSA-N 1 2 367.406 -0.168 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600231492 484927882 /nfs/dbraw/zinc/92/78/82/484927882.db2.gz IOJAGBHIOVMWKO-MRXNPFEDSA-N 1 2 367.406 -0.168 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)n1 ZINC000600231547 484928133 /nfs/dbraw/zinc/92/81/33/484928133.db2.gz JLWWDFRHSLKLOD-HNNXBMFYSA-N 1 2 353.379 -0.326 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)n1 ZINC000600231547 484928128 /nfs/dbraw/zinc/92/81/28/484928128.db2.gz JLWWDFRHSLKLOD-HNNXBMFYSA-N 1 2 353.379 -0.326 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)n1 ZINC000600231549 484927747 /nfs/dbraw/zinc/92/77/47/484927747.db2.gz JLWWDFRHSLKLOD-OAHLLOKOSA-N 1 2 353.379 -0.326 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)n1 ZINC000600231549 484927740 /nfs/dbraw/zinc/92/77/40/484927740.db2.gz JLWWDFRHSLKLOD-OAHLLOKOSA-N 1 2 353.379 -0.326 20 5 FBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600231874 484928261 /nfs/dbraw/zinc/92/82/61/484928261.db2.gz MBWMOUQMXQJPCH-HNNXBMFYSA-N 1 2 353.379 -0.326 20 5 FBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600231874 484928252 /nfs/dbraw/zinc/92/82/52/484928252.db2.gz MBWMOUQMXQJPCH-HNNXBMFYSA-N 1 2 353.379 -0.326 20 5 FBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600231876 484928088 /nfs/dbraw/zinc/92/80/88/484928088.db2.gz MBWMOUQMXQJPCH-OAHLLOKOSA-N 1 2 353.379 -0.326 20 5 FBBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600231876 484928086 /nfs/dbraw/zinc/92/80/86/484928086.db2.gz MBWMOUQMXQJPCH-OAHLLOKOSA-N 1 2 353.379 -0.326 20 5 FBBDLO Cc1n[nH]c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000600231908 484928000 /nfs/dbraw/zinc/92/80/00/484928000.db2.gz NAILSXMAAGMYBZ-HNNXBMFYSA-N 1 2 353.379 -0.028 20 5 FBBDLO Cc1n[nH]c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000600231908 484927994 /nfs/dbraw/zinc/92/79/94/484927994.db2.gz NAILSXMAAGMYBZ-HNNXBMFYSA-N 1 2 353.379 -0.028 20 5 FBBDLO Cc1n[nH]c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000600231909 484927161 /nfs/dbraw/zinc/92/71/61/484927161.db2.gz NAILSXMAAGMYBZ-OAHLLOKOSA-N 1 2 353.379 -0.028 20 5 FBBDLO Cc1n[nH]c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000600231909 484927157 /nfs/dbraw/zinc/92/71/57/484927157.db2.gz NAILSXMAAGMYBZ-OAHLLOKOSA-N 1 2 353.379 -0.028 20 5 FBBDLO Cc1nn(C)c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000600232182 484927800 /nfs/dbraw/zinc/92/78/00/484927800.db2.gz OSFNKZGZNQWVRC-INIZCTEOSA-N 1 2 367.406 -0.018 20 5 FBBDLO Cc1nn(C)c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000600232182 484927792 /nfs/dbraw/zinc/92/77/92/484927792.db2.gz OSFNKZGZNQWVRC-INIZCTEOSA-N 1 2 367.406 -0.018 20 5 FBBDLO Cc1nn(C)c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000600232183 484927233 /nfs/dbraw/zinc/92/72/33/484927233.db2.gz OSFNKZGZNQWVRC-MRXNPFEDSA-N 1 2 367.406 -0.018 20 5 FBBDLO Cc1nn(C)c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000600232183 484927227 /nfs/dbraw/zinc/92/72/27/484927227.db2.gz OSFNKZGZNQWVRC-MRXNPFEDSA-N 1 2 367.406 -0.018 20 5 FBBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600233441 484927259 /nfs/dbraw/zinc/92/72/59/484927259.db2.gz ZFCRBQWKOVFYOW-HNNXBMFYSA-N 1 2 353.379 -0.477 20 5 FBBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600233441 484927251 /nfs/dbraw/zinc/92/72/51/484927251.db2.gz ZFCRBQWKOVFYOW-HNNXBMFYSA-N 1 2 353.379 -0.477 20 5 FBBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600233442 484927108 /nfs/dbraw/zinc/92/71/08/484927108.db2.gz ZFCRBQWKOVFYOW-OAHLLOKOSA-N 1 2 353.379 -0.477 20 5 FBBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000600233442 484927103 /nfs/dbraw/zinc/92/71/03/484927103.db2.gz ZFCRBQWKOVFYOW-OAHLLOKOSA-N 1 2 353.379 -0.477 20 5 FBBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000600421811 484938692 /nfs/dbraw/zinc/93/86/92/484938692.db2.gz OMXBUSSIWZSQDV-AWEZNQCLSA-N 1 2 365.390 -0.159 20 5 FBBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000600421811 484938685 /nfs/dbraw/zinc/93/86/85/484938685.db2.gz OMXBUSSIWZSQDV-AWEZNQCLSA-N 1 2 365.390 -0.159 20 5 FBBDLO C[N@H+]1CCOC[C@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000600421812 484937673 /nfs/dbraw/zinc/93/76/73/484937673.db2.gz OMXBUSSIWZSQDV-CQSZACIVSA-N 1 2 365.390 -0.159 20 5 FBBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000600421812 484937666 /nfs/dbraw/zinc/93/76/66/484937666.db2.gz OMXBUSSIWZSQDV-CQSZACIVSA-N 1 2 365.390 -0.159 20 5 FBBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600422122 484938094 /nfs/dbraw/zinc/93/80/94/484938094.db2.gz RHWYKIFRGNCYJP-JTQLQIEISA-N 1 2 358.376 -0.697 20 5 FBBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600422122 484938089 /nfs/dbraw/zinc/93/80/89/484938089.db2.gz RHWYKIFRGNCYJP-JTQLQIEISA-N 1 2 358.376 -0.697 20 5 FBBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600422123 484938467 /nfs/dbraw/zinc/93/84/67/484938467.db2.gz RHWYKIFRGNCYJP-SNVBAGLBSA-N 1 2 358.376 -0.697 20 5 FBBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600422123 484938459 /nfs/dbraw/zinc/93/84/59/484938459.db2.gz RHWYKIFRGNCYJP-SNVBAGLBSA-N 1 2 358.376 -0.697 20 5 FBBDLO C[N@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600422136 484938644 /nfs/dbraw/zinc/93/86/44/484938644.db2.gz RRCOQSOKJFEXGS-LLVKDONJSA-N 1 2 372.403 -0.680 20 5 FBBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600422136 484938639 /nfs/dbraw/zinc/93/86/39/484938639.db2.gz RRCOQSOKJFEXGS-LLVKDONJSA-N 1 2 372.403 -0.680 20 5 FBBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600422137 484937884 /nfs/dbraw/zinc/93/78/84/484937884.db2.gz RRCOQSOKJFEXGS-NSHDSACASA-N 1 2 372.403 -0.680 20 5 FBBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600422137 484937879 /nfs/dbraw/zinc/93/78/79/484937879.db2.gz RRCOQSOKJFEXGS-NSHDSACASA-N 1 2 372.403 -0.680 20 5 FBBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000600423513 484938134 /nfs/dbraw/zinc/93/81/34/484938134.db2.gz DBGLLNUTBDFLBN-JTQLQIEISA-N 1 2 362.342 -0.362 20 5 FBBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000600423513 484938129 /nfs/dbraw/zinc/93/81/29/484938129.db2.gz DBGLLNUTBDFLBN-JTQLQIEISA-N 1 2 362.342 -0.362 20 5 FBBDLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000600423514 484938671 /nfs/dbraw/zinc/93/86/71/484938671.db2.gz DBGLLNUTBDFLBN-SNVBAGLBSA-N 1 2 362.342 -0.362 20 5 FBBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000600423514 484938664 /nfs/dbraw/zinc/93/86/64/484938664.db2.gz DBGLLNUTBDFLBN-SNVBAGLBSA-N 1 2 362.342 -0.362 20 5 FBBDLO C[N@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000600425177 484937724 /nfs/dbraw/zinc/93/77/24/484937724.db2.gz MHAYGAOSOFJLMU-GFCCVEGCSA-N 1 2 364.358 -0.233 20 5 FBBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000600425177 484937719 /nfs/dbraw/zinc/93/77/19/484937719.db2.gz MHAYGAOSOFJLMU-GFCCVEGCSA-N 1 2 364.358 -0.233 20 5 FBBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000600425178 484937840 /nfs/dbraw/zinc/93/78/40/484937840.db2.gz MHAYGAOSOFJLMU-LBPRGKRZSA-N 1 2 364.358 -0.233 20 5 FBBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000600425178 484937837 /nfs/dbraw/zinc/93/78/37/484937837.db2.gz MHAYGAOSOFJLMU-LBPRGKRZSA-N 1 2 364.358 -0.233 20 5 FBBDLO COc1ccc(C(=O)NCC(=O)NC[C@@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000600427426 484937827 /nfs/dbraw/zinc/93/78/27/484937827.db2.gz WRZCVFJIFTVKGY-GFCCVEGCSA-N 1 2 366.374 -0.220 20 5 FBBDLO COc1ccc(C(=O)NCC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600427426 484937824 /nfs/dbraw/zinc/93/78/24/484937824.db2.gz WRZCVFJIFTVKGY-GFCCVEGCSA-N 1 2 366.374 -0.220 20 5 FBBDLO COc1ccc(C(=O)NCC(=O)NC[C@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000600427427 484937789 /nfs/dbraw/zinc/93/77/89/484937789.db2.gz WRZCVFJIFTVKGY-LBPRGKRZSA-N 1 2 366.374 -0.220 20 5 FBBDLO COc1ccc(C(=O)NCC(=O)NC[C@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600427427 484937787 /nfs/dbraw/zinc/93/77/87/484937787.db2.gz WRZCVFJIFTVKGY-LBPRGKRZSA-N 1 2 366.374 -0.220 20 5 FBBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600526791 484939136 /nfs/dbraw/zinc/93/91/36/484939136.db2.gz MBXAFHAJWNZAGY-LLVKDONJSA-N 1 2 357.388 -0.205 20 5 FBBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600526791 484939131 /nfs/dbraw/zinc/93/91/31/484939131.db2.gz MBXAFHAJWNZAGY-LLVKDONJSA-N 1 2 357.388 -0.205 20 5 FBBDLO CS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000600536645 484939114 /nfs/dbraw/zinc/93/91/14/484939114.db2.gz USHJFTZTCKRGLZ-GFCCVEGCSA-N 1 2 357.388 -0.205 20 5 FBBDLO CS(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000600536645 484939109 /nfs/dbraw/zinc/93/91/09/484939109.db2.gz USHJFTZTCKRGLZ-GFCCVEGCSA-N 1 2 357.388 -0.205 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)n1 ZINC000600667175 484943625 /nfs/dbraw/zinc/94/36/25/484943625.db2.gz WAUVQGOZRYMPAB-UHFFFAOYSA-N 1 2 373.395 -0.014 20 5 FBBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600808198 483826983 /nfs/dbraw/zinc/82/69/83/483826983.db2.gz MBXAFHAJWNZAGY-NSHDSACASA-N 1 2 357.388 -0.205 20 5 FBBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600808198 483826980 /nfs/dbraw/zinc/82/69/80/483826980.db2.gz MBXAFHAJWNZAGY-NSHDSACASA-N 1 2 357.388 -0.205 20 5 FBBDLO CS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000600809560 484945939 /nfs/dbraw/zinc/94/59/39/484945939.db2.gz USHJFTZTCKRGLZ-LBPRGKRZSA-N 1 2 357.388 -0.205 20 5 FBBDLO CS(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000600809560 484945937 /nfs/dbraw/zinc/94/59/37/484945937.db2.gz USHJFTZTCKRGLZ-LBPRGKRZSA-N 1 2 357.388 -0.205 20 5 FBBDLO Cn1cc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602432780 484960763 /nfs/dbraw/zinc/96/07/63/484960763.db2.gz OETLYWUNUAXLQE-UHFFFAOYSA-N 1 2 352.395 -0.695 20 5 FBBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000602758084 484963038 /nfs/dbraw/zinc/96/30/38/484963038.db2.gz JLSWLVNWSAVWBU-UHFFFAOYSA-N 1 2 366.422 -0.424 20 5 FBBDLO COC(=O)CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603581935 484968160 /nfs/dbraw/zinc/96/81/60/484968160.db2.gz UBRWFANGLMPURX-UHFFFAOYSA-N 1 2 351.363 -0.209 20 5 FBBDLO Cn1c(=O)cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n(C)c1=O ZINC000603581946 484968142 /nfs/dbraw/zinc/96/81/42/484968142.db2.gz ZRALUUPEGPYHAG-UHFFFAOYSA-N 1 2 360.374 -0.291 20 5 FBBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000603849759 484970610 /nfs/dbraw/zinc/97/06/10/484970610.db2.gz HFEPLCQBYFETFP-UHFFFAOYSA-N 1 2 370.435 -0.396 20 5 FBBDLO CN(C)C(=O)C[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000603929542 484972095 /nfs/dbraw/zinc/97/20/95/484972095.db2.gz RXWVWOHVVWMIAA-UHFFFAOYSA-N 1 2 371.419 -0.548 20 5 FBBDLO CC(=O)N1CC[NH+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000603930292 484972277 /nfs/dbraw/zinc/97/22/77/484972277.db2.gz MQNJDABPIKLARX-UHFFFAOYSA-N 1 2 371.419 -0.182 20 5 FBBDLO CCNC(=O)C[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000603931893 484973502 /nfs/dbraw/zinc/97/35/02/484973502.db2.gz ZTECKFYISXUTHF-UHFFFAOYSA-N 1 2 371.419 -0.500 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000604529858 483869020 /nfs/dbraw/zinc/86/90/20/483869020.db2.gz XBJSMLJNMZPRQF-UHFFFAOYSA-N 1 2 352.395 -0.278 20 5 FBBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000608973066 483456602 /nfs/dbraw/zinc/45/66/02/483456602.db2.gz 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ZINC000609989170 483586469 /nfs/dbraw/zinc/58/64/69/483586469.db2.gz HBLQRVNXKUPOTE-UHFFFAOYSA-N 1 2 368.394 -0.551 20 5 FBBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCOCCO)CC2)cc1 ZINC000610078463 483630101 /nfs/dbraw/zinc/63/01/01/483630101.db2.gz MUOLTVBCOCLVAZ-UHFFFAOYSA-N 1 2 359.404 -0.090 20 5 FBBDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610263489 484497054 /nfs/dbraw/zinc/49/70/54/484497054.db2.gz SZDYXWBVGIMFGH-UHFFFAOYSA-N 1 2 371.419 -0.179 20 5 FBBDLO O=C(N1CCCC1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610367401 657362848 /nfs/dbraw/zinc/36/28/48/657362848.db2.gz RMSZTHXFDSDSCU-AWEZNQCLSA-N 1 2 352.395 -0.014 20 5 FBBDLO O=C(N1CCCC1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610367402 483723564 /nfs/dbraw/zinc/72/35/64/483723564.db2.gz RMSZTHXFDSDSCU-CQSZACIVSA-N 1 2 352.395 -0.014 20 5 FBBDLO O=C(Cn1cc[nH+]c1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610429299 657376408 /nfs/dbraw/zinc/37/64/08/657376408.db2.gz 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FBBDLO Cc1nc(CN2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000611072236 483781967 /nfs/dbraw/zinc/78/19/67/483781967.db2.gz YECLSKLPPHGXFG-ZDUSSCGKSA-N 1 2 350.383 -0.603 20 5 FBBDLO CN(C)S(=O)(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611184977 483789045 /nfs/dbraw/zinc/78/90/45/483789045.db2.gz RJZXQQKNMSZNCV-UHFFFAOYSA-N 1 2 359.408 -0.820 20 5 FBBDLO CS(=O)(=O)N1CC[NH+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000611370377 484465842 /nfs/dbraw/zinc/46/58/42/484465842.db2.gz ANACJEXREGKKRR-UHFFFAOYSA-N 1 2 369.407 -0.373 20 5 FBBDLO COCCNC(=O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525180 483877295 /nfs/dbraw/zinc/87/72/95/483877295.db2.gz IASFVLOXDGEYJQ-UHFFFAOYSA-N 1 2 367.406 -0.446 20 5 FBBDLO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000611566927 483877098 /nfs/dbraw/zinc/87/70/98/483877098.db2.gz RVVUZRQZLZIRDA-UHFFFAOYSA-N 1 2 366.422 -0.424 20 5 FBBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000611566927 483877097 /nfs/dbraw/zinc/87/70/97/483877097.db2.gz RVVUZRQZLZIRDA-UHFFFAOYSA-N 1 2 366.422 -0.424 20 5 FBBDLO COCCNC(=O)CN1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000611592243 483877540 /nfs/dbraw/zinc/87/75/40/483877540.db2.gz KXTFYYVYRGWPMQ-UHFFFAOYSA-N 1 2 354.411 -0.520 20 5 FBBDLO NS(=O)(=O)CC[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611709052 483878193 /nfs/dbraw/zinc/87/81/93/483878193.db2.gz ULXBTXGUHINIPO-UHFFFAOYSA-N 1 2 366.403 -0.052 20 5 FBBDLO CN(C)C(=O)C[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000612654842 483887604 /nfs/dbraw/zinc/88/76/04/483887604.db2.gz FTBJTCFOHQULOV-UHFFFAOYSA-N 1 2 371.419 -0.548 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000614854183 484139776 /nfs/dbraw/zinc/13/97/76/484139776.db2.gz WXNDBSVRMKQSDR-UHFFFAOYSA-N 1 2 361.424 -0.112 20 5 FBBDLO CCn1cc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000614854183 484139766 /nfs/dbraw/zinc/13/97/66/484139766.db2.gz WXNDBSVRMKQSDR-UHFFFAOYSA-N 1 2 361.424 -0.112 20 5 FBBDLO CS(=O)(=O)N1CC[NH+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000618583494 484362449 /nfs/dbraw/zinc/36/24/49/484362449.db2.gz AMYRLDMUNAGOJK-UHFFFAOYSA-N 1 2 368.419 -0.118 20 5 FBBDLO Cc1nn(CCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(C)c1[N+](=O)[O-] ZINC000727849524 659052831 /nfs/dbraw/zinc/05/28/31/659052831.db2.gz CVJYEOGJYZPTID-UHFFFAOYSA-N 1 2 352.395 -0.182 20 5 FBBDLO Cc1nn(CCC(=O)N2CCC[N@H+](CC(N)=O)CC2)c(C)c1[N+](=O)[O-] ZINC000727849524 659052825 /nfs/dbraw/zinc/05/28/25/659052825.db2.gz CVJYEOGJYZPTID-UHFFFAOYSA-N 1 2 352.395 -0.182 20 5 FBBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000731838140 660150069 /nfs/dbraw/zinc/15/00/69/660150069.db2.gz GRPZEQNYWREBER-UHFFFAOYSA-N 1 2 372.403 -0.066 20 5 FBBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000758134119 660683545 /nfs/dbraw/zinc/68/35/45/660683545.db2.gz XBKRXHOQTOYGBO-UHFFFAOYSA-N 1 2 371.419 -0.189 20 5 FBBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000770458409 660773458 /nfs/dbraw/zinc/77/34/58/660773458.db2.gz KNMWJITVEPHHAV-UHFFFAOYSA-N 1 2 372.403 -0.066 20 5 FBBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)NC1=O ZINC000817288125 661043019 /nfs/dbraw/zinc/04/30/19/661043019.db2.gz HIMIYWCFSPUKGU-GFCCVEGCSA-N 1 2 370.387 -0.390 20 5 FBBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)NC1=O ZINC000817288125 661043017 /nfs/dbraw/zinc/04/30/17/661043017.db2.gz HIMIYWCFSPUKGU-GFCCVEGCSA-N 1 2 370.387 -0.390 20 5 FBBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)NC1=O ZINC000817288126 661042933 /nfs/dbraw/zinc/04/29/33/661042933.db2.gz HIMIYWCFSPUKGU-LBPRGKRZSA-N 1 2 370.387 -0.390 20 5 FBBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)NC1=O ZINC000817288126 661042928 /nfs/dbraw/zinc/04/29/28/661042928.db2.gz HIMIYWCFSPUKGU-LBPRGKRZSA-N 1 2 370.387 -0.390 20 5 FBBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000819891845 606197830 /nfs/dbraw/zinc/19/78/30/606197830.db2.gz IGMLOPUNIKUQIC-UHFFFAOYSA-N 1 2 361.366 -0.444 20 5 FBBDLO CC[NH+]1CCN(C(=O)CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821266418 606706648 /nfs/dbraw/zinc/70/66/48/606706648.db2.gz CGZWOWSLYKNHMA-UHFFFAOYSA-N 1 2 361.366 -0.254 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821595032 606229823 /nfs/dbraw/zinc/22/98/23/606229823.db2.gz KRTBYMKGQMMSQA-LLVKDONJSA-N 1 2 364.366 -0.701 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821595033 606229913 /nfs/dbraw/zinc/22/99/13/606229913.db2.gz KRTBYMKGQMMSQA-NSHDSACASA-N 1 2 364.366 -0.701 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821595183 606229496 /nfs/dbraw/zinc/22/94/96/606229496.db2.gz OSDDLUZUBQUGLU-GFCCVEGCSA-N 1 2 363.378 -0.096 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821595184 606229560 /nfs/dbraw/zinc/22/95/60/606229560.db2.gz OSDDLUZUBQUGLU-LBPRGKRZSA-N 1 2 363.378 -0.096 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821595403 606717692 /nfs/dbraw/zinc/71/76/92/606717692.db2.gz WKEFBESMVVJLKS-JTQLQIEISA-N 1 2 364.366 -0.701 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821595404 606718098 /nfs/dbraw/zinc/71/80/98/606718098.db2.gz WKEFBESMVVJLKS-SNVBAGLBSA-N 1 2 364.366 -0.701 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821595449 606229944 /nfs/dbraw/zinc/22/99/44/606229944.db2.gz XPYODZOTUOSVLU-GFCCVEGCSA-N 1 2 363.378 -0.096 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821595450 606229737 /nfs/dbraw/zinc/22/97/37/606229737.db2.gz XPYODZOTUOSVLU-LBPRGKRZSA-N 1 2 363.378 -0.096 20 5 FBBDLO CN1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821627400 606631696 /nfs/dbraw/zinc/63/16/96/606631696.db2.gz ZNTCTMPFLZNFHR-GFCCVEGCSA-N 1 2 363.378 -0.238 20 5 FBBDLO CN1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821627401 606631522 /nfs/dbraw/zinc/63/15/22/606631522.db2.gz ZNTCTMPFLZNFHR-LBPRGKRZSA-N 1 2 363.378 -0.238 20 5 FBBDLO CNC(=O)C[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821632988 607167324 /nfs/dbraw/zinc/16/73/24/607167324.db2.gz RWJVZHOXWYLOAH-UHFFFAOYSA-N 1 2 361.366 -0.208 20 5 FBBDLO C[S@@](=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821942799 606642875 /nfs/dbraw/zinc/64/28/75/606642875.db2.gz RJAYMVJPRVRRBS-RUZDIDTESA-N 1 2 366.407 -0.330 20 5 FBBDLO C[S@](=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821942802 606642831 /nfs/dbraw/zinc/64/28/31/606642831.db2.gz RJAYMVJPRVRRBS-VWLOTQADSA-N 1 2 366.407 -0.330 20 5 FBBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000823619786 607163510 /nfs/dbraw/zinc/16/35/10/607163510.db2.gz BAFVPJZJONZTST-SECBINFHSA-N 1 2 350.339 -0.725 20 5 FBBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000823619790 607163340 /nfs/dbraw/zinc/16/33/40/607163340.db2.gz BAFVPJZJONZTST-VIFPVBQESA-N 1 2 350.339 -0.725 20 5 FBBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000823629668 661096901 /nfs/dbraw/zinc/09/69/01/661096901.db2.gz DSZJTWHNWOZFKG-LLVKDONJSA-N 1 2 350.335 -0.153 20 5 FBBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000823629669 661096809 /nfs/dbraw/zinc/09/68/09/661096809.db2.gz DSZJTWHNWOZFKG-NSHDSACASA-N 1 2 350.335 -0.153 20 5 FBBDLO O=[N+]([O-])c1cnc(NC[C@H](O)C[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000823652308 599300753 /nfs/dbraw/zinc/30/07/53/599300753.db2.gz ZNRONFYFQCHIAJ-JTQLQIEISA-N 1 2 350.339 -0.725 20 5 FBBDLO O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000823652309 599300851 /nfs/dbraw/zinc/30/08/51/599300851.db2.gz ZNRONFYFQCHIAJ-SNVBAGLBSA-N 1 2 350.339 -0.725 20 5 FBBDLO C[NH+](C)C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825855837 608566926 /nfs/dbraw/zinc/56/69/26/608566926.db2.gz JZSMRVNAMCTULZ-UHFFFAOYSA-N 1 2 353.364 -0.291 20 5 FBBDLO CN(CC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825866114 607659515 /nfs/dbraw/zinc/65/95/15/607659515.db2.gz RLKQQFLWABHHDB-UHFFFAOYSA-N 1 2 355.380 -0.043 20 5 FBBDLO CC(C)(CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N+](=O)[O-] ZINC000825899116 661106749 /nfs/dbraw/zinc/10/67/49/661106749.db2.gz MQMXVCFKDJXYGV-CYBMUJFWSA-N 1 2 356.423 -0.129 20 5 FBBDLO CC(C)(CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N+](=O)[O-] ZINC000825899117 661106667 /nfs/dbraw/zinc/10/66/67/661106667.db2.gz MQMXVCFKDJXYGV-ZDUSSCGKSA-N 1 2 356.423 -0.129 20 5 FBBDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826028697 607596404 /nfs/dbraw/zinc/59/64/04/607596404.db2.gz GGJXZRXVGJHZOQ-MRVPVSSYSA-N 1 2 353.364 -0.243 20 5 FBBDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826028697 607596403 /nfs/dbraw/zinc/59/64/03/607596403.db2.gz GGJXZRXVGJHZOQ-MRVPVSSYSA-N 1 2 353.364 -0.243 20 5 FBBDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826028698 607596341 /nfs/dbraw/zinc/59/63/41/607596341.db2.gz GGJXZRXVGJHZOQ-QMMMGPOBSA-N 1 2 353.364 -0.243 20 5 FBBDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826028698 607596339 /nfs/dbraw/zinc/59/63/39/607596339.db2.gz GGJXZRXVGJHZOQ-QMMMGPOBSA-N 1 2 353.364 -0.243 20 5 FBBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000826499576 607876732 /nfs/dbraw/zinc/87/67/32/607876732.db2.gz NUMGJKDNIRSOTJ-JTQLQIEISA-N 1 2 350.335 -0.153 20 5 FBBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000826499577 607876683 /nfs/dbraw/zinc/87/66/83/607876683.db2.gz NUMGJKDNIRSOTJ-SNVBAGLBSA-N 1 2 350.335 -0.153 20 5 FBBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH+]2CCC2)c1-c1nn[nH]n1 ZINC000826500108 607745405 /nfs/dbraw/zinc/74/54/05/607745405.db2.gz LIDBIRJVINGEOW-UHFFFAOYSA-N 1 2 353.364 -0.241 20 5 FBBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCCn2cc[nH+]c2)c1-c1nn[nH]n1 ZINC000826500111 607579750 /nfs/dbraw/zinc/57/97/50/607579750.db2.gz LOLKNMDWOLCCKM-UHFFFAOYSA-N 1 2 364.347 -0.050 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826938629 661114969 /nfs/dbraw/zinc/11/49/69/661114969.db2.gz ZYSMKCDRQJGBLE-CABCVRRESA-N 1 2 353.375 -0.220 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826938630 661114995 /nfs/dbraw/zinc/11/49/95/661114995.db2.gz ZYSMKCDRQJGBLE-GJZGRUSLSA-N 1 2 353.375 -0.220 20 5 FBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826938631 661115075 /nfs/dbraw/zinc/11/50/75/661115075.db2.gz ZYSMKCDRQJGBLE-HUUCEWRRSA-N 1 2 353.375 -0.220 20 5 FBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826938632 661115032 /nfs/dbraw/zinc/11/50/32/661115032.db2.gz ZYSMKCDRQJGBLE-LSDHHAIUSA-N 1 2 353.375 -0.220 20 5 FBBDLO COCCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000846617724 661242919 /nfs/dbraw/zinc/24/29/19/661242919.db2.gz VGJLTQXLJQTGHJ-UHFFFAOYSA-N 1 2 353.379 -0.007 20 5 FBBDLO NC(=O)C[N@H+]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000853214104 661315087 /nfs/dbraw/zinc/31/50/87/661315087.db2.gz DVTDNNQMYDJVRZ-UHFFFAOYSA-N 1 2 357.392 -0.760 20 5 FBBDLO NC(=O)C[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000853214104 661315083 /nfs/dbraw/zinc/31/50/83/661315083.db2.gz DVTDNNQMYDJVRZ-UHFFFAOYSA-N 1 2 357.392 -0.760 20 5 FBBDLO O=C(CC[NH+]1CCOCC1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941007942 660245187 /nfs/dbraw/zinc/24/51/87/660245187.db2.gz STUYAIJFJMZYND-ZIAGYGMSSA-N 1 2 354.407 -0.565 20 5 FBBDLO O=C(CC[NH+]1CCOCC1)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000947439407 657392905 /nfs/dbraw/zinc/39/29/05/657392905.db2.gz MYTFYQFBDYZRGR-ZIAGYGMSSA-N 1 2 354.407 -0.519 20 5 FBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CC[NH+](Cc3cnon3)CC2)C1 ZINC000949091940 658888493 /nfs/dbraw/zinc/88/84/93/658888493.db2.gz JRXHOZJNXPAWID-CHWSQXEVSA-N 1 2 351.363 -0.072 20 5 FBBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000950055857 661765469 /nfs/dbraw/zinc/76/54/69/661765469.db2.gz OSESEYKBJHJOCV-VXGBXAGGSA-N 1 2 353.379 -0.874 20 5 FBBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000954242803 661795086 /nfs/dbraw/zinc/79/50/86/661795086.db2.gz WWJYKOVJNMEXTH-DGCLKSJQSA-N 1 2 351.363 -0.316 20 5 FBBDLO CN(C(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954686419 661800568 /nfs/dbraw/zinc/80/05/68/661800568.db2.gz HJGZMKOGYBOGTB-DGCLKSJQSA-N 1 2 351.363 -0.316 20 5 FBBDLO CC[N@H+](Cc1nnnn1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712927 661824754 /nfs/dbraw/zinc/82/47/54/661824754.db2.gz BBASHPSLAVAQKA-CHWSQXEVSA-N 1 2 351.411 -0.064 20 5 FBBDLO CC[N@@H+](Cc1nnnn1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712927 661824751 /nfs/dbraw/zinc/82/47/51/661824751.db2.gz BBASHPSLAVAQKA-CHWSQXEVSA-N 1 2 351.411 -0.064 20 5 FBBDLO CCC[NH+]1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000961066786 661895004 /nfs/dbraw/zinc/89/50/04/661895004.db2.gz KXGNPUJAFZUSFM-CHWSQXEVSA-N 1 2 360.436 -0.780 20 5 FBBDLO CC(C)[NH+]1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000961066919 661895157 /nfs/dbraw/zinc/89/51/57/661895157.db2.gz MAAANXZSJLADTR-CHWSQXEVSA-N 1 2 360.436 -0.782 20 5 FBBDLO Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)nc1=O ZINC000963788816 661983887 /nfs/dbraw/zinc/98/38/87/661983887.db2.gz SJLHUMDBPQFRFD-IVMCCYTASA-N 1 2 350.379 -0.709 20 5 FBBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000967950226 662050268 /nfs/dbraw/zinc/05/02/68/662050268.db2.gz PQQZYMYTYVAJPL-ZIAGYGMSSA-N 1 2 354.407 -0.567 20 5 FBBDLO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC000973256825 658445494 /nfs/dbraw/zinc/44/54/94/658445494.db2.gz XUXFDZHMLTYPGM-RUSTZOOPSA-N 1 2 351.363 -0.222 20 5 FBBDLO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC000974112423 658664920 /nfs/dbraw/zinc/66/49/20/658664920.db2.gz XUXFDZHMLTYPGM-INTNWOOBSA-N 1 2 351.363 -0.222 20 5 FBBDLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCOCC1 ZINC000981136864 658867847 /nfs/dbraw/zinc/86/78/47/658867847.db2.gz JIYXGARZSBQPLD-ZIAGYGMSSA-N 1 2 354.407 -0.519 20 5 FBBDLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCOCC1 ZINC000981136864 658867842 /nfs/dbraw/zinc/86/78/42/658867842.db2.gz JIYXGARZSBQPLD-ZIAGYGMSSA-N 1 2 354.407 -0.519 20 5 FBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCN2CCCS2(=O)=O)CC1 ZINC000981137123 658867569 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CUCWOWIIOUDNHN-LLVKDONJSA-N 1 2 368.415 -0.079 20 5 FBBDLO C[N@@H+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO ZINC001151357820 843752595 /nfs/dbraw/zinc/75/25/95/843752595.db2.gz CUCWOWIIOUDNHN-LLVKDONJSA-N 1 2 368.415 -0.079 20 5 FBBDLO C[N@H+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC001151357821 843752824 /nfs/dbraw/zinc/75/28/24/843752824.db2.gz CUCWOWIIOUDNHN-NSHDSACASA-N 1 2 368.415 -0.079 20 5 FBBDLO C[N@@H+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC001151357821 843752815 /nfs/dbraw/zinc/75/28/15/843752815.db2.gz CUCWOWIIOUDNHN-NSHDSACASA-N 1 2 368.415 -0.079 20 5 FBBDLO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001153325562 843773792 /nfs/dbraw/zinc/77/37/92/843773792.db2.gz HOZBUBRFFYILPP-GFCCVEGCSA-N 1 2 352.395 -0.156 20 5 FBBDLO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001153325562 843773779 /nfs/dbraw/zinc/77/37/79/843773779.db2.gz HOZBUBRFFYILPP-GFCCVEGCSA-N 1 2 352.395 -0.156 20 5 FBBDLO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001153325566 843773539 /nfs/dbraw/zinc/77/35/39/843773539.db2.gz HOZBUBRFFYILPP-LBPRGKRZSA-N 1 2 352.395 -0.156 20 5 FBBDLO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001153325566 843773531 /nfs/dbraw/zinc/77/35/31/843773531.db2.gz HOZBUBRFFYILPP-LBPRGKRZSA-N 1 2 352.395 -0.156 20 5 FBBDLO Cn1c[nH+]cc1CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001154130792 843785919 /nfs/dbraw/zinc/78/59/19/843785919.db2.gz GKKDNUXLYWLLJP-UHFFFAOYSA-N 1 2 367.387 -0.035 20 5 FBBDLO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001155037414 843799921 /nfs/dbraw/zinc/79/99/21/843799921.db2.gz CMSPZLXYNPGORG-JTQLQIEISA-N 1 2 352.351 -0.563 20 5 FBBDLO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001155037415 843799653 /nfs/dbraw/zinc/79/96/53/843799653.db2.gz CMSPZLXYNPGORG-SNVBAGLBSA-N 1 2 352.351 -0.563 20 5 FBBDLO CS(=O)(=O)c1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001157767036 843846695 /nfs/dbraw/zinc/84/66/95/843846695.db2.gz DQNLRPRLMKWQRO-HTQZYQBOSA-N 1 2 363.421 -0.797 20 5 FBBDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001157780221 843847507 /nfs/dbraw/zinc/84/75/07/843847507.db2.gz JZCJDZODKUESNO-JTQLQIEISA-N 1 2 352.351 -0.055 20 5 FBBDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001157780221 843847501 /nfs/dbraw/zinc/84/75/01/843847501.db2.gz JZCJDZODKUESNO-JTQLQIEISA-N 1 2 352.351 -0.055 20 5 FBBDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001157780223 843847784 /nfs/dbraw/zinc/84/77/84/843847784.db2.gz JZCJDZODKUESNO-SNVBAGLBSA-N 1 2 352.351 -0.055 20 5 FBBDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001157780223 843847778 /nfs/dbraw/zinc/84/77/78/843847778.db2.gz JZCJDZODKUESNO-SNVBAGLBSA-N 1 2 352.351 -0.055 20 5 FBBDLO CNC(=O)NC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097850 843895471 /nfs/dbraw/zinc/89/54/71/843895471.db2.gz LWBVGMQOOUGNRQ-VXGBXAGGSA-N 1 2 353.379 -0.754 20 5 FBBDLO CNC(=O)NC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097850 843895462 /nfs/dbraw/zinc/89/54/62/843895462.db2.gz LWBVGMQOOUGNRQ-VXGBXAGGSA-N 1 2 353.379 -0.754 20 5 FBBDLO Cn1[nH]c(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1=O ZINC001160097857 843894697 /nfs/dbraw/zinc/89/46/97/843894697.db2.gz MEKPPUOHFKGUPD-VXGBXAGGSA-N 1 2 350.379 -0.588 20 5 FBBDLO Cn1[nH]c(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1=O ZINC001160097857 843894688 /nfs/dbraw/zinc/89/46/88/843894688.db2.gz MEKPPUOHFKGUPD-VXGBXAGGSA-N 1 2 350.379 -0.588 20 5 FBBDLO CS(=O)(=O)NCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160106781 843895166 /nfs/dbraw/zinc/89/51/66/843895166.db2.gz BRFNJPGWMXVIFT-CHWSQXEVSA-N 1 2 360.436 -0.661 20 5 FBBDLO CS(=O)(=O)NCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160106781 843895159 /nfs/dbraw/zinc/89/51/59/843895159.db2.gz BRFNJPGWMXVIFT-CHWSQXEVSA-N 1 2 360.436 -0.661 20 5 FBBDLO COCC(COC)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001163494998 843943030 /nfs/dbraw/zinc/94/30/30/843943030.db2.gz SVYAMSZQTXZDDQ-UHFFFAOYSA-N 1 2 353.379 -0.128 20 5 FBBDLO CS(=O)(=O)c1ccc(N2CC3(C2)CC(=O)NCC[NH2+]3)c([N+](=O)[O-])c1 ZINC001163837356 843945414 /nfs/dbraw/zinc/94/54/14/843945414.db2.gz BDBZDTOQYMSMEB-UHFFFAOYSA-N 1 2 354.388 -0.333 20 5 FBBDLO COC(=O)[C@@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[NH2+]1 ZINC001164305822 843947761 /nfs/dbraw/zinc/94/77/61/843947761.db2.gz CCBZOGSNLJQLQX-UWVGGRQHSA-N 1 2 352.351 -0.463 20 5 FBBDLO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(-n2cnc(C[NH3+])cc2=N)n1 ZINC001167351611 835998107 /nfs/dbraw/zinc/99/81/07/835998107.db2.gz XRKZOUPRDDFACC-UHFFFAOYSA-N 1 2 359.755 -0.434 20 5 FBBDLO [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]cn1[C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)[O-] ZINC001168984658 839251579 /nfs/dbraw/zinc/25/15/79/839251579.db2.gz PPVTXSQZEXHKPV-GVXVVHGQSA-N 1 2 353.379 -0.038 20 5 FBBDLO [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]cn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)[O-] ZINC001168984659 839252236 /nfs/dbraw/zinc/25/22/36/839252236.db2.gz PPVTXSQZEXHKPV-LOWVWBTDSA-N 1 2 353.379 -0.038 20 5 FBBDLO [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]cn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)[O-] ZINC001168984660 839251386 /nfs/dbraw/zinc/25/13/86/839251386.db2.gz PPVTXSQZEXHKPV-MDZLAQPJSA-N 1 2 353.379 -0.038 20 5 FBBDLO [NH3+]CCC(=O)N[C@@H](Cc1c[nH+]cn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)[O-] ZINC001168984661 839253148 /nfs/dbraw/zinc/25/31/48/839253148.db2.gz PPVTXSQZEXHKPV-WZRBSPASSA-N 1 2 353.379 -0.038 20 5 FBBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[NH2+]1 ZINC001169129026 839257501 /nfs/dbraw/zinc/25/75/01/839257501.db2.gz CCBZOGSNLJQLQX-ZJUUUORDSA-N 1 2 352.351 -0.463 20 5 FBBDLO CN(C)C(=O)C[N@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001187625468 840573732 /nfs/dbraw/zinc/57/37/32/840573732.db2.gz XBEVHKCEDXRBPU-UHFFFAOYSA-N 1 2 350.379 -0.311 20 5 FBBDLO CN(C)C(=O)C[N@@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001187625468 840573726 /nfs/dbraw/zinc/57/37/26/840573726.db2.gz XBEVHKCEDXRBPU-UHFFFAOYSA-N 1 2 350.379 -0.311 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)n1 ZINC001195287202 841236753 /nfs/dbraw/zinc/23/67/53/841236753.db2.gz PZVBBGDACVHAPV-LLVKDONJSA-N 1 2 359.408 -0.140 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC001195287202 841236744 /nfs/dbraw/zinc/23/67/44/841236744.db2.gz PZVBBGDACVHAPV-LLVKDONJSA-N 1 2 359.408 -0.140 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)n1 ZINC001195287213 841235963 /nfs/dbraw/zinc/23/59/63/841235963.db2.gz PZVBBGDACVHAPV-NSHDSACASA-N 1 2 359.408 -0.140 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC001195287213 841235955 /nfs/dbraw/zinc/23/59/55/841235955.db2.gz PZVBBGDACVHAPV-NSHDSACASA-N 1 2 359.408 -0.140 20 5 FBBDLO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)NC1=O ZINC001195488383 841251622 /nfs/dbraw/zinc/25/16/22/841251622.db2.gz QJHNEMYQUXACNJ-LLVKDONJSA-N 1 2 370.387 -0.390 20 5 FBBDLO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)NC1=O ZINC001195488383 841251616 /nfs/dbraw/zinc/25/16/16/841251616.db2.gz QJHNEMYQUXACNJ-LLVKDONJSA-N 1 2 370.387 -0.390 20 5 FBBDLO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)NC1=O ZINC001195488385 841251480 /nfs/dbraw/zinc/25/14/80/841251480.db2.gz QJHNEMYQUXACNJ-NSHDSACASA-N 1 2 370.387 -0.390 20 5 FBBDLO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)NC1=O ZINC001195488385 841251474 /nfs/dbraw/zinc/25/14/74/841251474.db2.gz QJHNEMYQUXACNJ-NSHDSACASA-N 1 2 370.387 -0.390 20 5 FBBDLO CCS(=O)(=O)NCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761894 841277768 /nfs/dbraw/zinc/27/77/68/841277768.db2.gz RMGLXBIKRFETIS-CHWSQXEVSA-N 1 2 362.452 -0.485 20 5 FBBDLO CCS(=O)(=O)NCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761894 841277758 /nfs/dbraw/zinc/27/77/58/841277758.db2.gz RMGLXBIKRFETIS-CHWSQXEVSA-N 1 2 362.452 -0.485 20 5 FBBDLO C[NH+]1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001213720595 844370767 /nfs/dbraw/zinc/37/07/67/844370767.db2.gz KFTMGQHXVZPDEU-UHFFFAOYSA-N 1 2 360.367 -0.214 20 5 FBBDLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC(=O)NC1CC1 ZINC001227252380 845848296 /nfs/dbraw/zinc/84/82/96/845848296.db2.gz LYJCQLNWAJBPBR-VXGBXAGGSA-N 1 2 353.379 -0.780 20 5 FBBDLO CCCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227253214 845848110 /nfs/dbraw/zinc/84/81/10/845848110.db2.gz WEEITPMJFHABHQ-VXGBXAGGSA-N 1 2 355.395 -0.532 20 5 FBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2sc(C[NH2+]CCOCCO)nc2C1 ZINC001264746823 846855121 /nfs/dbraw/zinc/85/51/21/846855121.db2.gz GDMUWNJMVFELNN-ZYHUDNBSSA-N 1 2 370.431 -0.209 20 5 FBBDLO Cc1nonc1CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001265243375 846857930 /nfs/dbraw/zinc/85/79/30/846857930.db2.gz PUYCPUGJGDVMTM-TZMCWYRMSA-N 1 2 352.395 -0.333 20 5 FBBDLO O=C(NCC[NH+]1CCN(CCOCC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265258203 846858334 /nfs/dbraw/zinc/85/83/34/846858334.db2.gz BTUUDZLADHSIFD-VXGBXAGGSA-N 1 2 368.356 -0.036 20 5 FBBDLO O=C(NCCN1CC[NH+](CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265258308 846858009 /nfs/dbraw/zinc/85/80/09/846858009.db2.gz FSWHJVHGZIFCQP-ZIAGYGMSSA-N 1 2 353.423 -0.992 20 5 FBBDLO Cn1ncc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001266262082 835974095 /nfs/dbraw/zinc/97/40/95/835974095.db2.gz BIMQFBDBMGFNIZ-ZIAGYGMSSA-N 1 2 351.411 -0.896 20 5 FBBDLO CC(C)NC(=O)CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001266263029 835974126 /nfs/dbraw/zinc/97/41/26/835974126.db2.gz SVRFJQSKGSROFY-ZIAGYGMSSA-N 1 2 355.439 -0.700 20 5 FBBDLO CCn1nncc1CN1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001266283473 835975758 /nfs/dbraw/zinc/97/57/58/835975758.db2.gz PITJIZFZUGGAGO-ZIAGYGMSSA-N 1 2 351.411 -0.803 20 5 FBBDLO Cn1cc(Cl)c(CN2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001266283514 835975786 /nfs/dbraw/zinc/97/57/86/835975786.db2.gz QAVBREXXSRLXLA-BXUZGUMPSA-N 1 2 370.841 -0.028 20 5 FBBDLO O=C(NCC[N@@H+](CCN1CCCS1(=O)=O)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266592716 835999971 /nfs/dbraw/zinc/99/99/71/835999971.db2.gz YURFSUMCDCVLJL-CHWSQXEVSA-N 1 2 360.436 -0.732 20 5 FBBDLO O=C(NCC[N@H+](CCN1CCCS1(=O)=O)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266592716 835999964 /nfs/dbraw/zinc/99/99/64/835999964.db2.gz YURFSUMCDCVLJL-CHWSQXEVSA-N 1 2 360.436 -0.732 20 5 FBBDLO CC(C)S(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266900843 836015857 /nfs/dbraw/zinc/01/58/57/836015857.db2.gz LBGGCEBIRZQGJJ-RGDJUOJXSA-N 1 2 359.448 -0.089 20 5 FBBDLO CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266900843 836015844 /nfs/dbraw/zinc/01/58/44/836015844.db2.gz LBGGCEBIRZQGJJ-RGDJUOJXSA-N 1 2 359.448 -0.089 20 5 FBBDLO Cc1nnc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001267572490 836044704 /nfs/dbraw/zinc/04/47/04/836044704.db2.gz MDOXQESRXNXZDO-CHWSQXEVSA-N 1 2 352.395 -0.381 20 5 FBBDLO Cc1noc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001267572585 836044959 /nfs/dbraw/zinc/04/49/59/836044959.db2.gz PXCBJTZYVOTOPN-CHWSQXEVSA-N 1 2 352.395 -0.381 20 5 FBBDLO CN(CC[NH+]1CCN(CC(=O)NC2CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267607605 836053285 /nfs/dbraw/zinc/05/32/85/836053285.db2.gz NZFNUVOMOBEFAV-ZIAGYGMSSA-N 1 2 353.423 -0.994 20 5 FBBDLO Cn1[nH]c(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1=O ZINC001270110796 836164017 /nfs/dbraw/zinc/16/40/17/836164017.db2.gz AZZXULDUHHULQE-VXGBXAGGSA-N 1 2 352.395 -0.508 20 5 FBBDLO Cn1ccc(CNC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001271911805 836405687 /nfs/dbraw/zinc/40/56/87/836405687.db2.gz MNZZKBSXYVUGRD-HUUCEWRRSA-N 1 2 350.423 -0.245 20 5 FBBDLO CN(CC[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013676 836416511 /nfs/dbraw/zinc/41/65/11/836416511.db2.gz PWDIOHXACBVXTF-GHMZBOCLSA-N 1 2 357.411 -0.334 20 5 FBBDLO CN(CC[N@H+](C)CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013676 836416508 /nfs/dbraw/zinc/41/65/08/836416508.db2.gz PWDIOHXACBVXTF-GHMZBOCLSA-N 1 2 357.411 -0.334 20 5 FBBDLO CC(C)(C)c1nnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001272162399 836495222 /nfs/dbraw/zinc/49/52/22/836495222.db2.gz MAXKSGNXZPGRSG-GHMZBOCLSA-N 1 2 355.395 -0.057 20 5 FBBDLO CCCCNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274910471 841891993 /nfs/dbraw/zinc/89/19/93/841891993.db2.gz MAASGJVADKXZFM-CHWSQXEVSA-N 1 2 356.423 -0.489 20 5 FBBDLO O=C(C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CC1 ZINC001274910840 841892030 /nfs/dbraw/zinc/89/20/30/841892030.db2.gz VROKDRLCAGJWDK-CHWSQXEVSA-N 1 2 354.407 -0.879 20 5 FBBDLO CCOCCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001278051728 846036753 /nfs/dbraw/zinc/03/67/53/846036753.db2.gz NJJLKQOBQICTSG-CHWSQXEVSA-N 1 2 356.423 -0.225 20 5 FBBDLO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)NCC(F)(F)F ZINC001279362321 846899331 /nfs/dbraw/zinc/89/93/31/846899331.db2.gz GUWISRZLPHFSCC-LMLFDSFASA-N 1 2 364.324 -0.280 20 5 FBBDLO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)NCC(F)(F)F ZINC001279362321 846899327 /nfs/dbraw/zinc/89/93/27/846899327.db2.gz GUWISRZLPHFSCC-LMLFDSFASA-N 1 2 364.324 -0.280 20 5 FBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1cc2n(n1)CCCC2 ZINC001279711391 846922291 /nfs/dbraw/zinc/92/22/91/846922291.db2.gz OPCCXUPGJPIJPD-HUUCEWRRSA-N 1 2 351.407 -0.205 20 5 FBBDLO O=C(CCn1cc[nH+]c1)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001280553543 847016656 /nfs/dbraw/zinc/01/66/56/847016656.db2.gz CIUAKADSKMBDAU-VXGBXAGGSA-N 1 2 351.363 -0.982 20 5 FBBDLO CN(CCC[N@@H+](C)CC(=O)Nc1cnccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280814369 847023391 /nfs/dbraw/zinc/02/33/91/847023391.db2.gz NYHRQQPYNFKBCE-VXGBXAGGSA-N 1 2 350.379 -0.139 20 5 FBBDLO CN(CCC[N@H+](C)CC(=O)Nc1cnccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280814369 847023386 /nfs/dbraw/zinc/02/33/86/847023386.db2.gz NYHRQQPYNFKBCE-VXGBXAGGSA-N 1 2 350.379 -0.139 20 5 FBBDLO CCn1nncc1C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281809642 847180599 /nfs/dbraw/zinc/18/05/99/847180599.db2.gz JGBCMISIDKCZMI-CHWSQXEVSA-N 1 2 352.395 -0.594 20 5 FBBDLO CN(C(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001281810520 847180500 /nfs/dbraw/zinc/18/05/00/847180500.db2.gz VXMCNNGLVRXFKZ-CHWSQXEVSA-N 1 2 354.407 -0.785 20 5 FBBDLO CC(C)CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281810936 847180448 /nfs/dbraw/zinc/18/04/48/847180448.db2.gz ZCEJXWVQTFCVKX-CHWSQXEVSA-N 1 2 356.423 -0.633 20 5 FBBDLO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001282984689 847450476 /nfs/dbraw/zinc/45/04/76/847450476.db2.gz CVIROHMEIVMJIH-IDMWTJEOSA-N 1 2 353.379 -0.983 20 5 FBBDLO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC(=O)NC(N)=O)C2 ZINC001282984689 847450470 /nfs/dbraw/zinc/45/04/70/847450470.db2.gz CVIROHMEIVMJIH-IDMWTJEOSA-N 1 2 353.379 -0.983 20 5 FBBDLO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc(C[NH+](C)C)on1 ZINC001283539425 847459309 /nfs/dbraw/zinc/45/93/09/847459309.db2.gz QFYRIDWFKWEQRJ-DGCLKSJQSA-N 1 2 353.379 -0.020 20 5 FBBDLO O=C(CC[NH+]1CCOCC1)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001284742650 847491893 /nfs/dbraw/zinc/49/18/93/847491893.db2.gz MRMYNKDFKPDIQO-ZIAGYGMSSA-N 1 2 354.407 -0.519 20 5 FBBDLO O=C(CCn1cc[nH+]c1)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001285948399 847530329 /nfs/dbraw/zinc/53/03/29/847530329.db2.gz QVTCXSIVGSNMON-VXGBXAGGSA-N 1 2 351.363 -0.982 20 5 FBBDLO O=C(CC[NH+]1CCOCC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001290055269 847841647 /nfs/dbraw/zinc/84/16/47/847841647.db2.gz OIURYTPQNGEGLZ-XJFOESAGSA-N 1 2 354.407 -0.615 20 5 FBBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001293022824 847985091 /nfs/dbraw/zinc/98/50/91/847985091.db2.gz MMRVKZPLISILCZ-UHFFFAOYSA-N 1 2 373.435 -0.275 20 5 FBBDLO O=C(NCCC[NH+]1CCN(C(=O)c2ccon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001294662811 848005721 /nfs/dbraw/zinc/00/57/21/848005721.db2.gz BPHOJQNTCRAGDQ-DGCLKSJQSA-N 1 2 351.363 -0.396 20 5 FBBDLO CC(C)(O)CC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001294663045 848005947 /nfs/dbraw/zinc/00/59/47/848005947.db2.gz HTZIYEAFPMRRBF-CHWSQXEVSA-N 1 2 356.423 -0.537 20 5 FBBDLO O=C(NCCC[NH+]1CCN(C(=O)c2cocn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001294663483 848005225 /nfs/dbraw/zinc/00/52/25/848005225.db2.gz MFTPREYGVIQPSD-DGCLKSJQSA-N 1 2 351.363 -0.396 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001295427403 848019096 /nfs/dbraw/zinc/01/90/96/848019096.db2.gz GWFUZAOUNHHRRC-GFCCVEGCSA-N 1 2 351.363 -0.004 20 5 FBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001295427405 848018839 /nfs/dbraw/zinc/01/88/39/848018839.db2.gz GWFUZAOUNHHRRC-LBPRGKRZSA-N 1 2 351.363 -0.004 20 5 FBBDLO Cc1nn(C)c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC001306539009 848166714 /nfs/dbraw/zinc/16/67/14/848166714.db2.gz BROSHXGKVNSVGA-UHFFFAOYSA-N 1 2 373.435 -0.124 20 5 FBBDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001307856502 848178299 /nfs/dbraw/zinc/17/82/99/848178299.db2.gz IJIMHGYCONMMMY-GFCCVEGCSA-N 1 2 352.347 -0.490 20 5 FBBDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001307856502 848178296 /nfs/dbraw/zinc/17/82/96/848178296.db2.gz IJIMHGYCONMMMY-GFCCVEGCSA-N 1 2 352.347 -0.490 20 5 FBBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001307856510 848177914 /nfs/dbraw/zinc/17/79/14/848177914.db2.gz IJIMHGYCONMMMY-LBPRGKRZSA-N 1 2 352.347 -0.490 20 5 FBBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001307856510 848177909 /nfs/dbraw/zinc/17/79/09/848177909.db2.gz IJIMHGYCONMMMY-LBPRGKRZSA-N 1 2 352.347 -0.490 20 5 FBBDLO COc1ccc(OCC[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001308097978 848181404 /nfs/dbraw/zinc/18/14/04/848181404.db2.gz UYDLSZZPXHVRIO-LLVKDONJSA-N 1 2 372.403 -0.184 20 5 FBBDLO COc1ccc(OCC[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001308097978 848181398 /nfs/dbraw/zinc/18/13/98/848181398.db2.gz UYDLSZZPXHVRIO-LLVKDONJSA-N 1 2 372.403 -0.184 20 5 FBBDLO COc1ccc(OCC[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001308097986 848181160 /nfs/dbraw/zinc/18/11/60/848181160.db2.gz UYDLSZZPXHVRIO-NSHDSACASA-N 1 2 372.403 -0.184 20 5 FBBDLO COc1ccc(OCC[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001308097986 848181157 /nfs/dbraw/zinc/18/11/57/848181157.db2.gz UYDLSZZPXHVRIO-NSHDSACASA-N 1 2 372.403 -0.184 20 5 FBBDLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001309879848 848233752 /nfs/dbraw/zinc/23/37/52/848233752.db2.gz DEMXXGDEENJLET-UHFFFAOYSA-N 1 2 374.419 -0.043 20 5 FBBDLO Cc1nn(C)cc1C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001316963478 848329184 /nfs/dbraw/zinc/32/91/84/848329184.db2.gz OMLPJOLITQGOTQ-HUUCEWRRSA-N 1 2 350.423 -0.372 20 5 FBBDLO CS(=O)(=O)CC1(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001317211512 848331769 /nfs/dbraw/zinc/33/17/69/848331769.db2.gz DKYZLYMYALURDF-LBELIVKGSA-N 1 2 357.432 -0.477 20 5 FBBDLO CS(=O)(=O)CC1(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001317211512 848331757 /nfs/dbraw/zinc/33/17/57/848331757.db2.gz DKYZLYMYALURDF-LBELIVKGSA-N 1 2 357.432 -0.477 20 5 FBBDLO O=C(C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)NCC(F)(F)F ZINC001317552707 848336922 /nfs/dbraw/zinc/33/69/22/848336922.db2.gz LVGUYDKYYSRBHE-NXEZZACHSA-N 1 2 352.313 -0.089 20 5 FBBDLO O=C(C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)NCC(F)(F)F ZINC001317552707 848336917 /nfs/dbraw/zinc/33/69/17/848336917.db2.gz LVGUYDKYYSRBHE-NXEZZACHSA-N 1 2 352.313 -0.089 20 5 FBBDLO CN(CC[NH+]1CCN(Cc2cnsn2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317818670 848342431 /nfs/dbraw/zinc/34/24/31/848342431.db2.gz GFNHVWJMOGRJAB-CHWSQXEVSA-N 1 2 354.436 -0.221 20 5 FBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001318245067 848363688 /nfs/dbraw/zinc/36/36/88/848363688.db2.gz MOHFYLMIUYGBLU-UHFFFAOYSA-N 1 2 350.339 -0.646 20 5 FBBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318383903 848373447 /nfs/dbraw/zinc/37/34/47/848373447.db2.gz YOLGRCQQQADSGY-UHFFFAOYSA-N 1 2 359.408 -0.584 20 5 FBBDLO Cn1[nH]c(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1=O ZINC001318885469 848409292 /nfs/dbraw/zinc/40/92/92/848409292.db2.gz JIEFJQKAQRMMOY-VXGBXAGGSA-N 1 2 352.395 -0.508 20 5 FBBDLO CS(=O)(=O)NCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001319398129 848454251 /nfs/dbraw/zinc/45/42/51/848454251.db2.gz LSLZSNRYNKZWDM-VXGBXAGGSA-N 1 2 360.436 -0.875 20 5 FBBDLO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319845758 848492487 /nfs/dbraw/zinc/49/24/87/848492487.db2.gz LVTNLQDSPKRNAQ-AWEZNQCLSA-N 1 2 358.420 -0.466 20 5 FBBDLO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319845759 848492558 /nfs/dbraw/zinc/49/25/58/848492558.db2.gz LVTNLQDSPKRNAQ-CQSZACIVSA-N 1 2 358.420 -0.466 20 5 FBBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001321672971 848664542 /nfs/dbraw/zinc/66/45/42/848664542.db2.gz RJTAPBAZMQDUPO-UHFFFAOYSA-N 1 2 359.408 -0.584 20 5 FBBDLO Cc1n[nH]c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC001321672976 848664530 /nfs/dbraw/zinc/66/45/30/848664530.db2.gz RQRREZSFQZCWHC-UHFFFAOYSA-N 1 2 359.408 -0.135 20 5 FBBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001327397209 849416701 /nfs/dbraw/zinc/41/67/01/849416701.db2.gz XNRXIWDJODHKBN-UHFFFAOYSA-N 1 2 373.435 -0.193 20 5 FBBDLO CCn1ncc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001328166192 849535206 /nfs/dbraw/zinc/53/52/06/849535206.db2.gz IWJWDHRSBYVNHY-CHWSQXEVSA-N 1 2 352.395 -0.594 20 5 FBBDLO CCN(CC)C(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001328530067 849595011 /nfs/dbraw/zinc/59/50/11/849595011.db2.gz LHRVVCRFWIXBJG-CHWSQXEVSA-N 1 2 356.423 -0.537 20 5 FBBDLO O=C(C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCC1 ZINC001328530987 849595386 /nfs/dbraw/zinc/59/53/86/849595386.db2.gz SWFSOWOBEJSGCT-CHWSQXEVSA-N 1 2 354.407 -0.783 20 5 FBBDLO O=C(NC1(CCO)C[NH+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329655699 849785298 /nfs/dbraw/zinc/78/52/98/849785298.db2.gz MVUPXFOGAXIHDL-CHWSQXEVSA-N 1 2 354.407 -0.783 20 5 FBBDLO COC(=O)[C@]1(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CCOC1 ZINC001329845719 849837857 /nfs/dbraw/zinc/83/78/57/849837857.db2.gz VWSYJSPYQSKQGJ-HNNXBMFYSA-N 1 2 353.379 -0.259 20 5 FBBDLO COC(=O)[C@@]1(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CCOC1 ZINC001329845720 849837802 /nfs/dbraw/zinc/83/78/02/849837802.db2.gz VWSYJSPYQSKQGJ-OAHLLOKOSA-N 1 2 353.379 -0.259 20 5 FBBDLO CS(=O)(=O)NCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001330486240 849954411 /nfs/dbraw/zinc/95/44/11/849954411.db2.gz NVOMHJVEHUNGNO-VXGBXAGGSA-N 1 2 360.436 -0.875 20 5 FBBDLO COC(=O)[C@]1(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CCOC1 ZINC001331412562 850074980 /nfs/dbraw/zinc/07/49/80/850074980.db2.gz NPCMFIRQQABQJE-HNNXBMFYSA-N 1 2 353.379 -0.259 20 5 FBBDLO COC(=O)[C@@]1(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CCOC1 ZINC001331412563 850074928 /nfs/dbraw/zinc/07/49/28/850074928.db2.gz NPCMFIRQQABQJE-OAHLLOKOSA-N 1 2 353.379 -0.259 20 5 FBBDLO CCS(=O)(=O)NCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001333336102 850355292 /nfs/dbraw/zinc/35/52/92/850355292.db2.gz AIZXFBQUDDYCQL-CHWSQXEVSA-N 1 2 360.436 -0.661 20 5 FBBDLO CCS(=O)(=O)NCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001333336102 850355282 /nfs/dbraw/zinc/35/52/82/850355282.db2.gz AIZXFBQUDDYCQL-CHWSQXEVSA-N 1 2 360.436 -0.661 20 5 FBBDLO CN(CC[NH+]1CCOCC1)c1nnc(C[N+](=O)[O-])n1C[C@H]1CCOC1 ZINC001349221612 851913799 /nfs/dbraw/zinc/91/37/99/851913799.db2.gz CLKJWZXWTPROBO-CYBMUJFWSA-N 1 2 354.411 -0.140 20 5 FBBDLO CN(CC[NH+]1CCOCC1)c1nnc(C[N+](=O)[O-])n1C[C@@H]1CCOC1 ZINC001349221613 851913452 /nfs/dbraw/zinc/91/34/52/851913452.db2.gz CLKJWZXWTPROBO-ZDUSSCGKSA-N 1 2 354.411 -0.140 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)n1 ZINC001351352329 852045160 /nfs/dbraw/zinc/04/51/60/852045160.db2.gz NAJWTFXFFRFDIG-SECBINFHSA-N 1 2 355.380 -0.603 20 5 FBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)n1 ZINC001351352346 852045367 /nfs/dbraw/zinc/04/53/67/852045367.db2.gz NAJWTFXFFRFDIG-VIFPVBQESA-N 1 2 355.380 -0.603 20 5 FBBDLO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnns1 ZINC001352650676 852126773 /nfs/dbraw/zinc/12/67/73/852126773.db2.gz JKMRCQKHPIUJEL-GHMZBOCLSA-N 1 2 368.419 -0.533 20 5 FBBDLO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccon1 ZINC001352651759 852127034 /nfs/dbraw/zinc/12/70/34/852127034.db2.gz RGBSSGTTWRVRPC-DGCLKSJQSA-N 1 2 351.363 -0.396 20 5 FBBDLO O=C(NCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnsn1 ZINC001352652792 852127093 /nfs/dbraw/zinc/12/70/93/852127093.db2.gz WPZJGGWUUKQZPM-ZYHUDNBSSA-N 1 2 368.419 -0.533 20 5 FBBDLO O=C(NCCC[NH+]1CCN(C(=O)c2cnco2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001352660587 852126994 /nfs/dbraw/zinc/12/69/94/852126994.db2.gz YEEBGOKQIFUWAU-VXGBXAGGSA-N 1 2 351.363 -0.396 20 5 FBBDLO