smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000045438516 204322520 /nfs/dbraw/zinc/32/25/20/204322520.db2.gz BWOSTSBTDWRMOV-AWEZNQCLSA-N 1 0 337.343 2.083 40 5 EEBBRO CCc1n[nH]c(=O)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1CC ZINC000194658058 463904856 /nfs/dbraw/zinc/90/48/56/463904856.db2.gz WAJWSXXPAUZCQF-UHFFFAOYSA-N 1 0 330.388 2.401 40 5 EEBBRO O=C1CC2(CC[NH2+]CC2)Oc2c1cc(Br)cc2[N+](=O)[O-] ZINC000228963314 464192908 /nfs/dbraw/zinc/19/29/08/464192908.db2.gz QIQZDPKAIOBXEY-UHFFFAOYSA-N 1 0 341.161 2.445 40 5 EEBBRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCO[C@H]3CCCCO3)CC2)n1 ZINC000225773260 242029073 /nfs/dbraw/zinc/02/90/73/242029073.db2.gz POAGPTKIDVYZMR-INIZCTEOSA-N 1 0 338.408 2.362 40 5 EEBBRO C[N+](C)(C)CCNC(=O)C1=C/C(=C/N=O)N(Cc2ccccc2)C=C1 ZINC000034208596 463427244 /nfs/dbraw/zinc/42/72/44/463427244.db2.gz HHQKIJJIVZUIMN-JXAWBTAJSA-O 1 0 341.435 2.373 40 5 EEBBRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)nc1 ZINC000195531739 464073635 /nfs/dbraw/zinc/07/36/35/464073635.db2.gz QVCPVRBCIUJWAL-GDBMZVCRSA-N 1 0 328.372 2.210 40 5 EEBBRO [NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCN(c2ccccc2F)CC1 ZINC000225246273 464155833 /nfs/dbraw/zinc/15/58/33/464155833.db2.gz RQRNFCPRFIWWIZ-UHFFFAOYSA-N 1 0 344.350 2.298 40 5 EEBBRO O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CC[NH+]1CCCC1 ZINC000004217305 462628677 /nfs/dbraw/zinc/62/86/77/462628677.db2.gz GBOQUHPYCRYKGV-UHFFFAOYSA-N 1 0 339.351 2.440 40 5 in-man EEBBRO Cc1nc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160477186 463341470 /nfs/dbraw/zinc/34/14/70/463341470.db2.gz YYBMLIRXCZSVGV-VNHYZAJKSA-N 1 0 334.420 2.376 40 5 EEBBRO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1F ZINC000225544653 464171209 /nfs/dbraw/zinc/17/12/09/464171209.db2.gz OBULHUUSGORJTD-UHFFFAOYSA-N 1 0 346.362 2.308 40 5 EEBBRO CCCCCC[N+](C)(C)CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000005352034 201648927 /nfs/dbraw/zinc/64/89/27/201648927.db2.gz YYTQYDKETVCPRZ-JJTUDDRGSA-N 1 0 338.468 2.384 40 5 EEBBRO O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCC1 ZINC000010450014 201799715 /nfs/dbraw/zinc/79/97/15/201799715.db2.gz GHYZUSNEBYCQSO-UHFFFAOYSA-N 1 0 337.445 2.430 40 5 EEBBRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096441442 463267021 /nfs/dbraw/zinc/26/70/21/463267021.db2.gz ULWPEEADTYOXOE-IFIJOSMWSA-N 1 0 348.378 2.169 40 5 EEBBRO COc1cc[nH+]c(N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000153708989 274164500 /nfs/dbraw/zinc/16/45/00/274164500.db2.gz ONMGOKVOEXGMDT-UHFFFAOYSA-N 1 0 349.778 2.373 40 5 EEBBRO C[C@H]1CCC[N@H+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000058008410 463534672 /nfs/dbraw/zinc/53/46/72/463534672.db2.gz LZOQQDDDZKYOIM-AWEZNQCLSA-N 1 0 344.415 2.398 40 5 EEBBRO CNc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000045438514 277303046 /nfs/dbraw/zinc/30/30/46/277303046.db2.gz BWOSTSBTDWRMOV-CQSZACIVSA-N 1 0 337.343 2.083 40 5 EEBBRO C[NH+]1CCN(c2ncccc2CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000066372812 462880977 /nfs/dbraw/zinc/88/09/77/462880977.db2.gz JCYAMGJVNASWMR-UHFFFAOYSA-N 1 0 345.378 2.493 40 5 EEBBRO C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000096485366 463283716 /nfs/dbraw/zinc/28/37/16/463283716.db2.gz FSFFLIYVPKEYQK-JSGCOSHPSA-N 1 0 332.404 2.062 40 5 EEBBRO C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000096485368 463283961 /nfs/dbraw/zinc/28/39/61/463283961.db2.gz FSFFLIYVPKEYQK-GXTWGEPZSA-N 1 0 332.404 2.062 40 5 EEBBRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)n1 ZINC000225773240 242029196 /nfs/dbraw/zinc/02/91/96/242029196.db2.gz POAGPTKIDVYZMR-MRXNPFEDSA-N 1 0 338.408 2.362 40 5 EEBBRO O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000020154221 463026159 /nfs/dbraw/zinc/02/61/59/463026159.db2.gz JFOIULSOIHAXGY-UHFFFAOYSA-N 1 0 344.346 2.396 40 5 EEBBRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000195531478 464072378 /nfs/dbraw/zinc/07/23/78/464072378.db2.gz ULWPEEADTYOXOE-HACGYAERSA-N 1 0 348.378 2.169 40 5 EEBBRO C[NH+](C)CCNc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000199799222 257844335 /nfs/dbraw/zinc/84/43/35/257844335.db2.gz YPNKLNXAIVTGSU-UHFFFAOYSA-N 1 0 337.771 2.150 40 5 EEBBRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)nc1 ZINC000096443419 463268302 /nfs/dbraw/zinc/26/83/02/463268302.db2.gz QVCPVRBCIUJWAL-GOEBONIOSA-N 1 0 328.372 2.210 40 5 EEBBRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000063749542 462669238 /nfs/dbraw/zinc/66/92/38/462669238.db2.gz UEHVLSZLDABFDD-ZIAGYGMSSA-N 1 0 335.404 2.210 40 5 EEBBRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(N)=O ZINC000225481656 464164178 /nfs/dbraw/zinc/16/41/78/464164178.db2.gz RNEPHHFDZBGEPD-NSHDSACASA-N 1 0 344.209 2.347 40 5 EEBBRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096412716 463244547 /nfs/dbraw/zinc/24/45/47/463244547.db2.gz VQYRERJNRSHUCO-AWEZNQCLSA-N 1 0 347.415 2.134 40 5 EEBBRO CC[N+](C)(C)[C@H](NS(=O)(=O)c1cccc2ccccc21)N(C)C ZINC000604940568 717185300 /nfs/dbraw/zinc/18/53/00/717185300.db2.gz IGBHYEWTZABBKS-QGZVFWFLSA-N 1 0 336.481 2.060 40 5 EEBBRO CC[NH+](CC)C[C@@H](C)Oc1ccc2nc3ccccc3c(=O)n2n1 ZINC000005453568 462659805 /nfs/dbraw/zinc/65/98/05/462659805.db2.gz ZNUCGFQRRHIVOS-CYBMUJFWSA-N 1 0 326.400 2.352 40 5 EEBBRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000241644233 464454286 /nfs/dbraw/zinc/45/42/86/464454286.db2.gz PPKUTBVOPLGFJF-UHFFFAOYSA-N 1 0 349.435 2.247 40 5 EEBBRO O=C(CC[N@@H+]1CCOC[C@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000097103498 463325541 /nfs/dbraw/zinc/32/55/41/463325541.db2.gz AKMGPNMJWSCHJO-HNNXBMFYSA-N 1 0 337.351 2.173 40 5 EEBBRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000010279971 211160104 /nfs/dbraw/zinc/16/01/04/211160104.db2.gz STINEUQJCZCRID-UHFFFAOYSA-N 1 0 341.433 2.058 40 5 EEBBRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000195531477 464072168 /nfs/dbraw/zinc/07/21/68/464072168.db2.gz ULWPEEADTYOXOE-SUYBPPKGSA-N 1 0 348.378 2.169 40 5 EEBBRO Cc1nc2ccc(NCC[NH+](C)C)c3c2n1c1ccc(O)cc1c3=O ZINC000005116458 462646072 /nfs/dbraw/zinc/64/60/72/462646072.db2.gz RWGHRNQPAMSGPF-UHFFFAOYSA-N 1 0 336.395 2.426 40 5 in-vivo EEBBRO [NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(F)cc2)CC1 ZINC000225238798 464154351 /nfs/dbraw/zinc/15/43/51/464154351.db2.gz VDNOZFJXGOBJEW-UHFFFAOYSA-N 1 0 344.350 2.298 40 5 EEBBRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC[NH+]1CCCCCC1 ZINC000013668925 462898403 /nfs/dbraw/zinc/89/84/03/462898403.db2.gz HBZWENSPIQTGIT-UHFFFAOYSA-N 1 0 341.433 2.139 40 5 EEBBRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000077236644 462957927 /nfs/dbraw/zinc/95/79/27/462957927.db2.gz ULMYBOVGMSPKTO-AWEZNQCLSA-N 1 0 329.404 2.429 40 5 EEBBRO CC(=O)N1CCO[C@]2(CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 ZINC000096268781 463232196 /nfs/dbraw/zinc/23/21/96/463232196.db2.gz AZXCAATZDZDMMX-SFHVURJKSA-N 1 0 347.415 2.117 40 5 EEBBRO Cn1cnc([N+](=O)[O-])c1Nc1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000078675508 202399199 /nfs/dbraw/zinc/39/91/99/202399199.db2.gz MEIVNRKCVYIDQF-UHFFFAOYSA-N 1 0 345.403 2.071 40 5 EEBBRO O=[N+]([O-])c1cccc(-c2nc3sccn3c2CN2CC[NH2+]CC2)c1 ZINC000002599642 462595669 /nfs/dbraw/zinc/59/56/69/462595669.db2.gz FXFLXADDFSGLIP-UHFFFAOYSA-N 1 0 343.412 2.376 40 5 EEBBRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000096453181 463273852 /nfs/dbraw/zinc/27/38/52/463273852.db2.gz RDFRATFCOXRSLX-MRXNPFEDSA-N 1 0 335.404 2.042 40 5 EEBBRO C[N+](C)(C)C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000041690061 463504753 /nfs/dbraw/zinc/50/47/53/463504753.db2.gz HYPHZRWQRWKQSP-SECBINFHSA-N 1 0 325.173 2.173 40 5 EEBBRO Cc1ccnc(N2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000096406519 278983913 /nfs/dbraw/zinc/98/39/13/278983913.db2.gz LQOGXGGHRMMOMG-UHFFFAOYSA-N 1 0 334.420 2.237 40 5 EEBBRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047322851 204337052 /nfs/dbraw/zinc/33/70/52/204337052.db2.gz USLPZHQQDNPJAV-UHFFFAOYSA-N 1 0 348.403 2.171 40 5 EEBBRO C[NH+](C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000096499974 463289987 /nfs/dbraw/zinc/28/99/87/463289987.db2.gz ROKMRYKFZBGPPH-UHFFFAOYSA-N 1 0 331.170 2.040 40 5 EEBBRO CC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 ZINC000096268780 463231756 /nfs/dbraw/zinc/23/17/56/463231756.db2.gz AZXCAATZDZDMMX-GOSISDBHSA-N 1 0 347.415 2.117 40 5 EEBBRO C[NH+](C)C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000048354348 213928875 /nfs/dbraw/zinc/92/88/75/213928875.db2.gz RQGWLPXDTJHOHU-UHFFFAOYSA-N 1 0 334.420 2.387 40 5 EEBBRO C[N@@H+](Cc1cccc2ccccc21)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096435738 463263577 /nfs/dbraw/zinc/26/35/77/463263577.db2.gz DMDCDFMMZYPFCL-KRWDZBQOSA-N 1 0 340.383 2.437 40 5 EEBBRO C[N@+]12CCCC[C@H]1[C@@H](COC(=O)CNC(=O)c1ccccc1)CCC2 ZINC000254379558 465019413 /nfs/dbraw/zinc/01/94/13/465019413.db2.gz BTVCOTRNCVKXAL-KGVIQGDOSA-O 1 0 345.463 2.369 40 5 EEBBRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000193107737 465027028 /nfs/dbraw/zinc/02/70/28/465027028.db2.gz YRKXCHDDDAOYFF-KBPBESRZSA-N 1 0 342.804 2.494 40 5 EEBBRO O=C(CC[N@@H+]1CCOC[C@@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000097103497 463324683 /nfs/dbraw/zinc/32/46/83/463324683.db2.gz AKMGPNMJWSCHJO-OAHLLOKOSA-N 1 0 337.351 2.173 40 5 EEBBRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000010111255 211148569 /nfs/dbraw/zinc/14/85/69/211148569.db2.gz PEBDSHLWULDRGN-UHFFFAOYSA-N 1 0 341.433 2.139 40 5 EEBBRO CCCCCC[N+](C)(C)CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000005352037 462655856 /nfs/dbraw/zinc/65/58/56/462655856.db2.gz YYTQYDKETVCPRZ-ALYAQQCSSA-N 1 0 338.468 2.384 40 5 EEBBRO [NH3+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl ZINC000033611404 463422043 /nfs/dbraw/zinc/42/20/43/463422043.db2.gz VDWHFAAXPZFFEI-UHFFFAOYSA-N 1 0 333.731 2.376 40 5 in-vitro EEBBRO C[N+]1(CCn2c(=O)c3ccccc3n2-c2ccccc2)CCOCC1 ZINC000005535313 462661654 /nfs/dbraw/zinc/66/16/54/462661654.db2.gz YCODGZMZJOBFLF-UHFFFAOYSA-N 1 0 338.431 2.269 40 5 EEBBRO C[N@@H+](Cc1cccc2ccccc21)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096435739 463263410 /nfs/dbraw/zinc/26/34/10/463263410.db2.gz DMDCDFMMZYPFCL-QGZVFWFLSA-N 1 0 340.383 2.437 40 5 EEBBRO C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)CNC(=O)c1ccccc1)CCC2 ZINC000254379556 465019291 /nfs/dbraw/zinc/01/92/91/465019291.db2.gz BTVCOTRNCVKXAL-JBYIUTFZSA-O 1 0 345.463 2.369 40 5 EEBBRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 ZINC000078663099 217097047 /nfs/dbraw/zinc/09/70/47/217097047.db2.gz NPPJGPGARVAROB-UHFFFAOYSA-N 1 0 347.415 2.102 40 5 EEBBRO C[NH+](C)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000153877613 462704400 /nfs/dbraw/zinc/70/44/00/462704400.db2.gz DFGXHMMNWWFKQI-UHFFFAOYSA-N 1 0 335.385 2.457 40 5 EEBBRO [NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000225245417 464155518 /nfs/dbraw/zinc/15/55/18/464155518.db2.gz JQYIIRXCXRITPP-UHFFFAOYSA-N 1 0 326.360 2.159 40 5 EEBBRO Cc1cnc(N(C)C2CC[NH+](CCn3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000242140837 243009269 /nfs/dbraw/zinc/00/92/69/243009269.db2.gz WPQPAORTCPOPBB-UHFFFAOYSA-N 1 0 344.419 2.096 40 5 EEBBRO CC[N+](C)(C)[C@@H](NS(=O)(=O)c1cccc2ccccc21)N(C)C ZINC000604940567 717185601 /nfs/dbraw/zinc/18/56/01/717185601.db2.gz IGBHYEWTZABBKS-KRWDZBQOSA-N 1 0 336.481 2.060 40 5 EEBBRO CC[NH+](CC)C[C@H](C)Oc1ccc2nc3ccccc3c(=O)n2n1 ZINC000005453608 462660662 /nfs/dbraw/zinc/66/06/62/462660662.db2.gz ZNUCGFQRRHIVOS-ZDUSSCGKSA-N 1 0 326.400 2.352 40 5 EEBBRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000096453180 463274449 /nfs/dbraw/zinc/27/44/49/463274449.db2.gz RDFRATFCOXRSLX-INIZCTEOSA-N 1 0 335.404 2.042 40 5 EEBBRO C[C@@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000096485365 463283812 /nfs/dbraw/zinc/28/38/12/463283812.db2.gz FSFFLIYVPKEYQK-OCCSQVGLSA-N 1 0 332.404 2.062 40 5 EEBBRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000058158690 463545469 /nfs/dbraw/zinc/54/54/69/463545469.db2.gz UEHVLSZLDABFDD-KBPBESRZSA-N 1 0 335.404 2.210 40 5 EEBBRO CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000073639544 463638233 /nfs/dbraw/zinc/63/82/33/463638233.db2.gz UERHVPDKOXNIBD-UHFFFAOYSA-N 1 0 328.210 2.495 40 5 EEBBRO O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000020154202 463025585 /nfs/dbraw/zinc/02/55/85/463025585.db2.gz KAYFUJFZTGUIHO-UHFFFAOYSA-N 1 0 332.385 2.318 40 5 EEBBRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000096419820 463251566 /nfs/dbraw/zinc/25/15/66/463251566.db2.gz ZUKCJWGHRIFLHX-UHFFFAOYSA-N 1 0 347.415 2.048 40 5 EEBBRO C[N@+]12CCCC[C@@H]1[C@H](COC(=O)CNC(=O)c1ccccc1)CCC2 ZINC000254379560 465019060 /nfs/dbraw/zinc/01/90/60/465019060.db2.gz BTVCOTRNCVKXAL-NJNPRVFISA-O 1 0 345.463 2.369 40 5 EEBBRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000096492396 463288337 /nfs/dbraw/zinc/28/83/37/463288337.db2.gz SHTYINDWLCUAEP-GFCCVEGCSA-N 1 0 331.376 2.234 40 5 EEBBRO O=C1NCCCN1C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000253392440 464997235 /nfs/dbraw/zinc/99/72/35/464997235.db2.gz ZCUVUHYTRRBYNW-UHFFFAOYSA-N 1 0 336.367 2.114 40 5 EEBBRO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000193107750 465027052 /nfs/dbraw/zinc/02/70/52/465027052.db2.gz YRKXCHDDDAOYFF-UONOGXRCSA-N 1 0 342.804 2.494 40 5 EEBBRO C[N+](C)(CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Cc1ccccc1 ZINC000005352042 462656079 /nfs/dbraw/zinc/65/60/79/462656079.db2.gz GHWWIPQDKUTOMI-ILOCAZANSA-N 1 0 344.431 2.004 40 5 EEBBRO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006062439 462675731 /nfs/dbraw/zinc/67/57/31/462675731.db2.gz UUYXIWMTSKMRMV-KRWDZBQOSA-N 1 0 328.368 2.393 40 5 EEBBRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000095426510 218368417 /nfs/dbraw/zinc/36/84/17/218368417.db2.gz PEUQZCAQDARMIS-KRWDZBQOSA-N 1 0 325.368 2.050 40 5 EEBBRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3CC3CC3)n2)c1 ZINC000015674883 462960329 /nfs/dbraw/zinc/96/03/29/462960329.db2.gz JLXVYSALGOIMEY-KGLIPLIRSA-N 1 0 330.344 2.163 40 5 biogenic,in-vitro EEBBRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)c3cccc(F)c3)C2)nc1 ZINC000072665098 202365796 /nfs/dbraw/zinc/36/57/96/202365796.db2.gz YCSIDKHQARRUGP-GOEBONIOSA-N 1 0 346.362 2.349 40 5 EEBBRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccncc1 ZINC000097370663 463355526 /nfs/dbraw/zinc/35/55/26/463355526.db2.gz GZCMBCUYVNPWIN-BLLLJJGKSA-N 1 0 326.356 2.446 40 5 EEBBRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2ccccc2n1 ZINC000195576673 464080376 /nfs/dbraw/zinc/08/03/76/464080376.db2.gz SPTDQEOTFGBHQJ-UHFFFAOYSA-N 1 0 346.368 2.258 40 5 EEBBRO [NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2F)CC1 ZINC000225239536 464154177 /nfs/dbraw/zinc/15/41/77/464154177.db2.gz HDSCVRSCOFJMMH-UHFFFAOYSA-N 1 0 344.350 2.298 40 5 EEBBRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccncc1 ZINC000097370666 463355362 /nfs/dbraw/zinc/35/53/62/463355362.db2.gz GZCMBCUYVNPWIN-WBMJQRKESA-N 1 0 326.356 2.446 40 5 EEBBRO Cc1nc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000253370977 464994255 /nfs/dbraw/zinc/99/42/55/464994255.db2.gz YYBMLIRXCZSVGV-UMVBOHGHSA-N 1 0 334.420 2.376 40 5 EEBBRO COc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000096412876 463245010 /nfs/dbraw/zinc/24/50/10/463245010.db2.gz SKIZVHSPXQELCM-UHFFFAOYSA-N 1 0 349.778 2.373 40 5 EEBBRO [NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 ZINC000225238625 464154630 /nfs/dbraw/zinc/15/46/30/464154630.db2.gz YFGLORWLJWPVMR-UHFFFAOYSA-N 1 0 326.360 2.159 40 5 EEBBRO Cc1ccc(NCC[NH2+]CCO)c2c(=O)c3cc(O)ccc3sc12 ZINC000005392838 462657551 /nfs/dbraw/zinc/65/75/51/462657551.db2.gz AQHRVZGMXJGTGP-UHFFFAOYSA-N 1 0 344.436 2.423 40 5 EEBBRO C[N@@H+]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000096482645 463281416 /nfs/dbraw/zinc/28/14/16/463281416.db2.gz GMLXZXNOYPGXRI-UHFFFAOYSA-N 1 0 342.193 2.135 40 5 EEBBRO Cc1nc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000095432545 218374703 /nfs/dbraw/zinc/37/47/03/218374703.db2.gz BOPNBEXWSXLNKX-OAHLLOKOSA-N 1 0 332.360 2.199 40 5 EEBBRO Cc1cnc(N(C)C2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000096447421 463270865 /nfs/dbraw/zinc/27/08/65/463270865.db2.gz UZVFJEGAYPSJRN-AWEZNQCLSA-N 1 0 334.420 2.235 40 5 EEBBRO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000225817811 535718453 /nfs/dbraw/zinc/71/84/53/535718453.db2.gz BIEZIHGXOJYDOB-CQSZACIVSA-N 1 0 348.447 2.483 40 5 EEBBRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000096445717 463271184 /nfs/dbraw/zinc/27/11/84/463271184.db2.gz NKUVINBKJJGSBZ-UHFFFAOYSA-N 1 0 334.351 2.226 40 5 EEBBRO Cc1cc(N(C)C2CC[NH+](CCn3cccn3)CC2)ncc1[N+](=O)[O-] ZINC000241911202 243004754 /nfs/dbraw/zinc/00/47/54/243004754.db2.gz UAMXMDNJOUBCPG-UHFFFAOYSA-N 1 0 344.419 2.096 40 5 EEBBRO O=[N+]([O-])c1ccc(-c2nc3sccn3c2CN2CC[NH2+]CC2)cc1 ZINC000002599641 209872045 /nfs/dbraw/zinc/87/20/45/209872045.db2.gz BPYXPIIMTXBOSR-UHFFFAOYSA-N 1 0 343.412 2.376 40 5 EEBBRO Nc1ccc(N[N+](=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000409415860 466687547 /nfs/dbraw/zinc/68/75/47/466687547.db2.gz HDPDFGIUXVYBJV-UHFFFAOYSA-N 1 0 349.239 2.431 40 5 EEBBRO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000019732669 212057883 /nfs/dbraw/zinc/05/78/83/212057883.db2.gz RYTJWZVFNQIWKR-CABCVRRESA-N 1 0 325.368 2.376 40 5 EEBBRO C[N@+]12CCCC[C@H]1[C@H](COC(=O)CNC(=O)c1ccccc1)CCC2 ZINC000254379562 465019042 /nfs/dbraw/zinc/01/90/42/465019042.db2.gz BTVCOTRNCVKXAL-NPPFBWRTSA-O 1 0 345.463 2.369 40 5 EEBBRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111256 211148460 /nfs/dbraw/zinc/14/84/60/211148460.db2.gz CWFJEDIRECSYEH-UHFFFAOYSA-N 1 0 341.433 2.139 40 5 EEBBRO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000007709775 462746975 /nfs/dbraw/zinc/74/69/75/462746975.db2.gz HESXDXCJAQLJOM-UHFFFAOYSA-N 1 0 341.433 2.058 40 5 EEBBRO O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000020154238 463025363 /nfs/dbraw/zinc/02/53/63/463025363.db2.gz CHMRUUQGPFPTTH-UHFFFAOYSA-N 1 0 344.346 2.396 40 5 EEBBRO Cc1nc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000095432544 218374505 /nfs/dbraw/zinc/37/45/05/218374505.db2.gz BOPNBEXWSXLNKX-HNNXBMFYSA-N 1 0 332.360 2.199 40 5 EEBBRO CCCc1n[nH]c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000096414250 463247300 /nfs/dbraw/zinc/24/73/00/463247300.db2.gz DDKSWQXMTLZCCI-UHFFFAOYSA-N 1 0 337.424 2.215 40 5 EEBBRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160917217 463381537 /nfs/dbraw/zinc/38/15/37/463381537.db2.gz ZILYBZUNPZEOGZ-OAHLLOKOSA-N 1 0 335.404 2.338 40 5 EEBBRO CCC[NH+]1CCC(N2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)CC1 ZINC000078662938 276257561 /nfs/dbraw/zinc/25/75/61/276257561.db2.gz JXAWVJMRBPIHBV-UHFFFAOYSA-N 1 0 347.463 2.295 40 5 EEBBRO Cc1ccc(Nc2nc(NCCC[NH3+])nc(N)c2[N+](=O)[O-])cc1C ZINC000005253069 462651953 /nfs/dbraw/zinc/65/19/53/462651953.db2.gz AQLWPLLCPRLASD-UHFFFAOYSA-N 1 0 331.380 2.088 40 5 EEBBRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2ccsc2n1 ZINC000253417338 465005921 /nfs/dbraw/zinc/00/59/21/465005921.db2.gz VKRAIVJSRPDKLD-UHFFFAOYSA-N 1 0 344.396 2.339 40 5 EEBBRO CCCC[N+](CC)(CC)CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000005352126 462657098 /nfs/dbraw/zinc/65/70/98/462657098.db2.gz LREQZECFFDCNHV-JJTUDDRGSA-N 1 0 338.468 2.384 40 5 EEBBRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)c3ccccc3)C2)nc1 ZINC000096443420 463267989 /nfs/dbraw/zinc/26/79/89/463267989.db2.gz QVCPVRBCIUJWAL-HOCLYGCPSA-N 1 0 328.372 2.210 40 5 EEBBRO CCOc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000096453213 218836425 /nfs/dbraw/zinc/83/64/25/218836425.db2.gz WLPKMDLSBKEWJP-HNNXBMFYSA-N 1 0 335.404 2.295 40 5 EEBBRO CCCC[N+](CC)(CC)CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000005352129 462657740 /nfs/dbraw/zinc/65/77/40/462657740.db2.gz LREQZECFFDCNHV-ALYAQQCSSA-N 1 0 338.468 2.384 40 5 EEBBRO COC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000079091100 217190774 /nfs/dbraw/zinc/19/07/74/217190774.db2.gz LREWTLPKRDYVEM-XJKSGUPXSA-N 1 0 333.388 2.059 40 5 EEBBRO COc1cc(F)c([N+](=O)[O-])c(NCC2([NH+](C)C)CCOCC2)c1 ZINC000096446534 463270964 /nfs/dbraw/zinc/27/09/64/463270964.db2.gz LQSDPCXBASQVDC-UHFFFAOYSA-N 1 0 327.356 2.265 40 5 EEBBRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000193107722 465027007 /nfs/dbraw/zinc/02/70/07/465027007.db2.gz YRKXCHDDDAOYFF-ZIAGYGMSSA-N 1 0 342.804 2.494 40 5 EEBBRO C[N+](C)(C)CCNC(=O)C1=C/C(=C\N=O)N(Cc2ccccc2)C=C1 ZINC000012481621 207148224 /nfs/dbraw/zinc/14/82/24/207148224.db2.gz HHQKIJJIVZUIMN-NBVRZTHBSA-O 1 0 341.435 2.373 40 5 EEBBRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000077236643 462957682 /nfs/dbraw/zinc/95/76/82/462957682.db2.gz ULMYBOVGMSPKTO-CQSZACIVSA-N 1 0 329.404 2.429 40 5 EEBBRO Cc1nc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160477303 463341440 /nfs/dbraw/zinc/34/14/40/463341440.db2.gz YYBMLIRXCZSVGV-GUTXKFCHSA-N 1 0 334.420 2.376 40 5 EEBBRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)c3cccc(F)c3)C2)nc1 ZINC000195531737 464073773 /nfs/dbraw/zinc/07/37/73/464073773.db2.gz YCSIDKHQARRUGP-GDBMZVCRSA-N 1 0 346.362 2.349 40 5 EEBBRO O=c1c(Br)cn(CCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000191834516 239324721 /nfs/dbraw/zinc/32/47/21/239324721.db2.gz RRGFAXHGIKUSQL-UHFFFAOYSA-N 1 0 344.209 2.395 40 5 EEBBRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000191730835 464825528 /nfs/dbraw/zinc/82/55/28/464825528.db2.gz MZSYLYBVJJRCMY-UHFFFAOYSA-N 1 0 332.404 2.268 40 5 EEBBRO COC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000079091093 463188396 /nfs/dbraw/zinc/18/83/96/463188396.db2.gz LREWTLPKRDYVEM-CZUORRHYSA-N 1 0 333.388 2.059 40 5 EEBBRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](C4CCOCC4)CC3)nc2c1 ZINC000083217106 463540952 /nfs/dbraw/zinc/54/09/52/463540952.db2.gz VXORJASOTCQMRL-UHFFFAOYSA-N 1 0 346.387 2.033 40 5 EEBBRO COc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000078294913 202390541 /nfs/dbraw/zinc/39/05/41/202390541.db2.gz DRXWSNZDMNCDAD-UHFFFAOYSA-N 1 0 335.404 2.295 40 5 EEBBRO O=[N+]([O-])c1ccc(-c2nc3ccccn3c2CN2CC[NH2+]CC2)cc1 ZINC000002510945 462595888 /nfs/dbraw/zinc/59/58/88/462595888.db2.gz CRLZLWVMFFEEMW-UHFFFAOYSA-N 1 0 337.383 2.315 40 5 EEBBRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000193107709 465027117 /nfs/dbraw/zinc/02/71/17/465027117.db2.gz YRKXCHDDDAOYFF-KGLIPLIRSA-N 1 0 342.804 2.494 40 5 EEBBRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSc2ccccc2C1 ZINC000096485590 275043966 /nfs/dbraw/zinc/04/39/66/275043966.db2.gz VTVPEJCIKGWBAM-UHFFFAOYSA-N 1 0 331.397 2.364 40 5 EEBBRO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000225817827 535707130 /nfs/dbraw/zinc/70/71/30/535707130.db2.gz BIEZIHGXOJYDOB-AWEZNQCLSA-N 1 0 348.447 2.483 40 5 EEBBRO CCc1nn(C)c(NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000094138340 463061833 /nfs/dbraw/zinc/06/18/33/463061833.db2.gz WUSBWEAWVOYMDR-UHFFFAOYSA-N 1 0 344.419 2.362 40 5 EEBBRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000245224745 464468853 /nfs/dbraw/zinc/46/88/53/464468853.db2.gz CSEPMOKJEDDHOU-CHWSQXEVSA-N 1 0 341.433 2.136 40 5 EEBBRO Cc1cnc(N(C)C2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000096447422 463270647 /nfs/dbraw/zinc/27/06/47/463270647.db2.gz UZVFJEGAYPSJRN-CQSZACIVSA-N 1 0 334.420 2.235 40 5 EEBBRO C[N+](C)(C)C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000041690058 463504831 /nfs/dbraw/zinc/50/48/31/463504831.db2.gz HYPHZRWQRWKQSP-VIFPVBQESA-N 1 0 325.173 2.173 40 5 EEBBRO O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000020154212 463025301 /nfs/dbraw/zinc/02/53/01/463025301.db2.gz BQURRDAQGYWFGD-UHFFFAOYSA-N 1 0 326.356 2.257 40 5 EEBBRO CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000096413033 463245146 /nfs/dbraw/zinc/24/51/46/463245146.db2.gz AEJPXTDWDYVNCF-UHFFFAOYSA-N 1 0 341.433 2.010 40 5 EEBBRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2sccc2Br)c1 ZINC000195564579 464077281 /nfs/dbraw/zinc/07/72/81/464077281.db2.gz BMZGVRCCXSYDTG-UHFFFAOYSA-N 1 0 331.195 2.405 40 5 EEBBRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000033295955 463420367 /nfs/dbraw/zinc/42/03/67/463420367.db2.gz GQXGWBNRGPDMNO-LSDHHAIUSA-N 1 0 325.368 2.376 40 5 EEBBRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)c3cccc(F)c3)C2)nc1 ZINC000072665099 216289859 /nfs/dbraw/zinc/28/98/59/216289859.db2.gz YCSIDKHQARRUGP-HOCLYGCPSA-N 1 0 346.362 2.349 40 5 EEBBRO CCOc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000096453214 463274558 /nfs/dbraw/zinc/27/45/58/463274558.db2.gz WLPKMDLSBKEWJP-OAHLLOKOSA-N 1 0 335.404 2.295 40 5 EEBBRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccncc1 ZINC000097370664 463355589 /nfs/dbraw/zinc/35/55/89/463355589.db2.gz GZCMBCUYVNPWIN-MLGOLLRUSA-N 1 0 326.356 2.446 40 5 EEBBRO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006062442 275037327 /nfs/dbraw/zinc/03/73/27/275037327.db2.gz UUYXIWMTSKMRMV-QGZVFWFLSA-N 1 0 328.368 2.393 40 5 EEBBRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000058158687 463545497 /nfs/dbraw/zinc/54/54/97/463545497.db2.gz UEHVLSZLDABFDD-KGLIPLIRSA-N 1 0 335.404 2.210 40 5 EEBBRO Cc1nc(N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000253370976 464994937 /nfs/dbraw/zinc/99/49/37/464994937.db2.gz YYBMLIRXCZSVGV-KCQAQPDRSA-N 1 0 334.420 2.376 40 5 EEBBRO O=C(CCN1CCC[C@H]([NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000077315337 462968245 /nfs/dbraw/zinc/96/82/45/462968245.db2.gz NVEVKZPTEHSIGK-KRWDZBQOSA-N 1 0 346.431 2.484 40 5 EEBBRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000096492398 463288325 /nfs/dbraw/zinc/28/83/25/463288325.db2.gz SHTYINDWLCUAEP-LBPRGKRZSA-N 1 0 331.376 2.234 40 5 EEBBRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccncc1 ZINC000097370665 463355462 /nfs/dbraw/zinc/35/54/62/463355462.db2.gz GZCMBCUYVNPWIN-LRDDRELGSA-N 1 0 326.356 2.446 40 5 EEBBRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000096441444 463266979 /nfs/dbraw/zinc/26/69/79/463266979.db2.gz ULWPEEADTYOXOE-MRRJBJDNSA-N 1 0 348.378 2.169 40 5 EEBBRO C[C@@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000096485367 463283861 /nfs/dbraw/zinc/28/38/61/463283861.db2.gz FSFFLIYVPKEYQK-TZMCWYRMSA-N 1 0 332.404 2.062 40 5 EEBBRO C[N+](C)(CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)Cc1ccccc1 ZINC000005352043 210447614 /nfs/dbraw/zinc/44/76/14/210447614.db2.gz GHWWIPQDKUTOMI-WKULXVSPSA-N 1 0 344.431 2.004 40 5 EEBBRO CC(C)(C)[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(N)=O ZINC000225481694 464164267 /nfs/dbraw/zinc/16/42/67/464164267.db2.gz RNEPHHFDZBGEPD-LLVKDONJSA-N 1 0 344.209 2.347 40 5 EEBBRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3)C2)nc1 ZINC000245339146 464470962 /nfs/dbraw/zinc/47/09/62/464470962.db2.gz QVCPVRBCIUJWAL-ZBFHGGJFSA-N 1 0 328.372 2.210 40 5 EEBBRO COC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247843348 464709244 /nfs/dbraw/zinc/70/92/44/464709244.db2.gz LREWTLPKRDYVEM-BBRMVZONSA-N 1 0 333.388 2.059 40 5 EEBBRO C[C@@H]1CCC[N@H+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000058008406 463535465 /nfs/dbraw/zinc/53/54/65/463535465.db2.gz LZOQQDDDZKYOIM-CQSZACIVSA-N 1 0 344.415 2.398 40 5 EEBBRO [NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000225245592 464156431 /nfs/dbraw/zinc/15/64/31/464156431.db2.gz RTXVLYSOXINEJF-UHFFFAOYSA-N 1 0 344.350 2.298 40 5 EEBBRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)c3cccc(F)c3)C2)nc1 ZINC000245344208 464470879 /nfs/dbraw/zinc/47/08/79/464470879.db2.gz YCSIDKHQARRUGP-ZBFHGGJFSA-N 1 0 346.362 2.349 40 5 EEBBRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096412717 463245076 /nfs/dbraw/zinc/24/50/76/463245076.db2.gz VQYRERJNRSHUCO-CQSZACIVSA-N 1 0 347.415 2.134 40 5 EEBBRO O=C(CC[N@@H+]1CCOC2(CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000097103494 463325243 /nfs/dbraw/zinc/32/52/43/463325243.db2.gz JFKATFXBBJNJSM-UHFFFAOYSA-N 1 0 337.351 2.317 40 5 EEBBRO CC[NH2+]CCNc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000199799327 241039952 /nfs/dbraw/zinc/03/99/52/241039952.db2.gz OYAKPPADLHKAMI-UHFFFAOYSA-N 1 0 337.771 2.198 40 5 EEBBRO O=C(CCN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000077315339 216869773 /nfs/dbraw/zinc/86/97/73/216869773.db2.gz NVEVKZPTEHSIGK-QGZVFWFLSA-N 1 0 346.431 2.484 40 5 EEBBRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000096486535 463284202 /nfs/dbraw/zinc/28/42/02/463284202.db2.gz SVUQQQIJRBPRRH-UHFFFAOYSA-N 1 0 335.408 2.092 40 5 EEBBRO O=C(/C=C/c1ccco1)Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000020154371 463025892 /nfs/dbraw/zinc/02/58/92/463025892.db2.gz ASSRAPGHXCTEQR-GQCTYLIASA-N 1 0 342.355 2.249 40 5 EEBBRO COC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247843351 464709707 /nfs/dbraw/zinc/70/97/07/464709707.db2.gz LREWTLPKRDYVEM-CJNGLKHVSA-N 1 0 333.388 2.059 40 5 EEBBRO