smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000175095120 207093453 /nfs/dbraw/zinc/09/34/53/207093453.db2.gz KZCRYNSHJXGART-ZDUSSCGKSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000175095120 207093456 /nfs/dbraw/zinc/09/34/56/207093456.db2.gz KZCRYNSHJXGART-ZDUSSCGKSA-N 1 2 343.405 0.821 10 5 ECBELO C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000180825843 164938747 /nfs/dbraw/zinc/93/87/47/164938747.db2.gz KUTPXUGSYMERCW-SMDDNHRTSA-N 1 2 334.376 0.970 10 5 ECBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000125500308 436770881 /nfs/dbraw/zinc/77/08/81/436770881.db2.gz YFLOIKQUGDXFQC-LLVKDONJSA-N 1 2 327.312 0.157 10 5 ECBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000120073684 436677862 /nfs/dbraw/zinc/67/78/62/436677862.db2.gz RZVFPLQGGICHPX-GFCCVEGCSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000120073684 436677864 /nfs/dbraw/zinc/67/78/64/436677864.db2.gz RZVFPLQGGICHPX-GFCCVEGCSA-N 1 2 343.405 0.821 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000171094642 436967298 /nfs/dbraw/zinc/96/72/98/436967298.db2.gz GPHKNGAEYVDYOO-VIFPVBQESA-N 1 2 333.341 0.343 10 5 ECBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000171094642 436967300 /nfs/dbraw/zinc/96/73/00/436967300.db2.gz GPHKNGAEYVDYOO-VIFPVBQESA-N 1 2 333.341 0.343 10 5 ECBELO CCc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000128033809 205129046 /nfs/dbraw/zinc/12/90/46/205129046.db2.gz ZKBRJDASRDGUKS-CQSZACIVSA-N 1 2 337.376 0.580 10 5 ECBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1[NH+]1CCOCC1 ZINC000184457837 164963593 /nfs/dbraw/zinc/96/35/93/164963593.db2.gz JCIBXNIQBZWSDB-IAQYHMDHSA-N 1 2 334.376 0.970 10 5 ECBELO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000133011479 205352475 /nfs/dbraw/zinc/35/24/75/205352475.db2.gz HKLAIZIMTGPJKA-OAHLLOKOSA-N 1 2 337.376 0.337 10 5 ECBELO C[C@@H](O)C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000174334792 207012806 /nfs/dbraw/zinc/01/28/06/207012806.db2.gz PDEPZCQQAYKSKF-CHWSQXEVSA-N 1 2 336.392 0.920 10 5 ECBELO C[C@@H](O)C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000174334792 207012807 /nfs/dbraw/zinc/01/28/07/207012807.db2.gz PDEPZCQQAYKSKF-CHWSQXEVSA-N 1 2 336.392 0.920 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000171094401 436966232 /nfs/dbraw/zinc/96/62/32/436966232.db2.gz DJOIIYFULSTDFK-JTQLQIEISA-N 1 2 349.796 0.857 10 5 ECBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000171094401 436966234 /nfs/dbraw/zinc/96/62/34/436966234.db2.gz DJOIIYFULSTDFK-JTQLQIEISA-N 1 2 349.796 0.857 10 5 ECBELO Cc1nn(C)c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173961224 231083276 /nfs/dbraw/zinc/08/32/76/231083276.db2.gz OMDAUFAKSCOFET-PWSUYJOCSA-N 1 2 337.380 0.429 10 5 ECBELO Cc1noc([C@H](C)N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176232976 207205239 /nfs/dbraw/zinc/20/52/39/207205239.db2.gz RPHXIVAXNIMFDQ-NSHDSACASA-N 1 2 335.368 0.862 10 5 ECBELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000111587845 204363199 /nfs/dbraw/zinc/36/31/99/204363199.db2.gz IHVHKPGDMSBGID-LLVKDONJSA-N 1 2 346.343 0.497 10 5 ECBELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000111587845 204363204 /nfs/dbraw/zinc/36/32/04/204363204.db2.gz IHVHKPGDMSBGID-LLVKDONJSA-N 1 2 346.343 0.497 10 5 ECBELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000126727544 205069682 /nfs/dbraw/zinc/06/96/82/205069682.db2.gz MGALECZNHKOUNA-GFCCVEGCSA-N 1 2 345.359 0.841 10 5 ECBELO C[N@H+]1CCO[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000126727544 205069686 /nfs/dbraw/zinc/06/96/86/205069686.db2.gz MGALECZNHKOUNA-GFCCVEGCSA-N 1 2 345.359 0.841 10 5 ECBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2[nH]ncc2[N+](=O)[O-])nc[nH+]1 ZINC000122702592 436736647 /nfs/dbraw/zinc/73/66/47/436736647.db2.gz VJEAQQBOVQFOSV-VIFPVBQESA-N 1 2 346.351 0.548 10 5 ECBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2[nH]ncc2[N+](=O)[O-])[nH+]cn1 ZINC000122702592 436736651 /nfs/dbraw/zinc/73/66/51/436736651.db2.gz VJEAQQBOVQFOSV-VIFPVBQESA-N 1 2 346.351 0.548 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000171094602 436966809 /nfs/dbraw/zinc/96/68/09/436966809.db2.gz ZIJJYBGUWQKLTI-JTQLQIEISA-N 1 2 333.341 0.343 10 5 ECBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000171094602 436966814 /nfs/dbraw/zinc/96/68/14/436966814.db2.gz ZIJJYBGUWQKLTI-JTQLQIEISA-N 1 2 333.341 0.343 10 5 ECBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171094254 436967028 /nfs/dbraw/zinc/96/70/28/436967028.db2.gz ZTVPVJARZRYCDH-ZDUSSCGKSA-N 1 2 343.405 0.766 10 5 ECBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171094254 436967030 /nfs/dbraw/zinc/96/70/30/436967030.db2.gz ZTVPVJARZRYCDH-ZDUSSCGKSA-N 1 2 343.405 0.766 10 5 ECBELO CCOCC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000117274531 221039959 /nfs/dbraw/zinc/03/99/59/221039959.db2.gz KFVMQJFYPKYVRF-LLVKDONJSA-N 1 2 339.396 0.820 10 5 ECBELO CCOCC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000117274531 221039962 /nfs/dbraw/zinc/03/99/62/221039962.db2.gz KFVMQJFYPKYVRF-LLVKDONJSA-N 1 2 339.396 0.820 10 5 ECBELO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000189920767 437614107 /nfs/dbraw/zinc/61/41/07/437614107.db2.gz NNYZENCNPJMRNF-GFCCVEGCSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000189920767 437614113 /nfs/dbraw/zinc/61/41/13/437614113.db2.gz NNYZENCNPJMRNF-GFCCVEGCSA-N 1 2 343.405 0.821 10 5 ECBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000138935751 436663475 /nfs/dbraw/zinc/66/34/75/436663475.db2.gz AAFFNBZDBKPIJG-LLVKDONJSA-N 1 2 343.767 0.671 10 5 ECBELO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000171288950 436975665 /nfs/dbraw/zinc/97/56/65/436975665.db2.gz SYLMEONNDQNNPQ-NSHDSACASA-N 1 2 338.320 0.872 10 5 ECBELO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000171288950 436975666 /nfs/dbraw/zinc/97/56/66/436975666.db2.gz SYLMEONNDQNNPQ-NSHDSACASA-N 1 2 338.320 0.872 10 5 ECBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1[NH+]1CCOCC1 ZINC000184457856 437400992 /nfs/dbraw/zinc/40/09/92/437400992.db2.gz JCIBXNIQBZWSDB-XHDPSFHLSA-N 1 2 334.376 0.970 10 5 ECBELO COC(=O)[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000040443134 213303811 /nfs/dbraw/zinc/30/38/11/213303811.db2.gz RQJHEEYNKSWMGS-UWVGGRQHSA-N 1 2 343.361 0.119 10 5 ECBELO Cc1cnn(C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c1 ZINC000131866667 223279361 /nfs/dbraw/zinc/27/93/61/223279361.db2.gz VCBUYJBYGAVKDJ-HNNXBMFYSA-N 1 2 347.375 0.662 10 5 ECBELO Cc1cnn(C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c1 ZINC000131866667 223279363 /nfs/dbraw/zinc/27/93/63/223279363.db2.gz VCBUYJBYGAVKDJ-HNNXBMFYSA-N 1 2 347.375 0.662 10 5 ECBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000138935622 436663457 /nfs/dbraw/zinc/66/34/57/436663457.db2.gz AAFFNBZDBKPIJG-NSHDSACASA-N 1 2 343.767 0.671 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000171094582 436967107 /nfs/dbraw/zinc/96/71/07/436967107.db2.gz ZLYOVNTXEJLADL-JTQLQIEISA-N 1 2 349.796 0.857 10 5 ECBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000171094582 436967109 /nfs/dbraw/zinc/96/71/09/436967109.db2.gz ZLYOVNTXEJLADL-JTQLQIEISA-N 1 2 349.796 0.857 10 5 ECBELO Cc1nn(CCC(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000170683778 436949089 /nfs/dbraw/zinc/94/90/89/436949089.db2.gz QRAONSDBKSMNCU-GFCCVEGCSA-N 1 2 325.369 0.245 10 5 ECBELO Cc1nn(CCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000170683778 436949093 /nfs/dbraw/zinc/94/90/93/436949093.db2.gz QRAONSDBKSMNCU-GFCCVEGCSA-N 1 2 325.369 0.245 10 5 ECBELO O=C(NC1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000185934881 437455622 /nfs/dbraw/zinc/45/56/22/437455622.db2.gz GWJKQPLPXYKBAS-OAHLLOKOSA-N 1 2 349.387 0.935 10 5 ECBELO Cc1cc(C)n(-c2ncnc(NCC[NH+]3CCOCC3)c2[N+](=O)[O-])n1 ZINC000040661184 213364922 /nfs/dbraw/zinc/36/49/22/213364922.db2.gz RYDYTKNIOSRBOY-UHFFFAOYSA-N 1 2 347.379 0.931 10 5 ECBELO Cc1cc(N2CC[NH+](CCN3C(=O)CCC3=O)CC2)ncc1[N+](=O)[O-] ZINC000080599899 436323532 /nfs/dbraw/zinc/32/35/32/436323532.db2.gz JKVVPPCENTWMTL-UHFFFAOYSA-N 1 2 347.375 0.569 10 5 ECBELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000159397262 225210862 /nfs/dbraw/zinc/21/08/62/225210862.db2.gz UADQTNOYKVESNO-UHFFFAOYSA-N 1 2 347.379 0.626 10 5 ECBELO CCOCC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000123376502 222266915 /nfs/dbraw/zinc/26/69/15/222266915.db2.gz SRTTYIJRHNBLOW-NSHDSACASA-N 1 2 325.369 0.511 10 5 ECBELO CCOCC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000123376502 222266918 /nfs/dbraw/zinc/26/69/18/222266918.db2.gz SRTTYIJRHNBLOW-NSHDSACASA-N 1 2 325.369 0.511 10 5 ECBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000171094577 436967197 /nfs/dbraw/zinc/96/71/97/436967197.db2.gz ZLYOVNTXEJLADL-SNVBAGLBSA-N 1 2 349.796 0.857 10 5 ECBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000171094577 436967200 /nfs/dbraw/zinc/96/72/00/436967200.db2.gz ZLYOVNTXEJLADL-SNVBAGLBSA-N 1 2 349.796 0.857 10 5 ECBELO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000171289068 436976674 /nfs/dbraw/zinc/97/66/74/436976674.db2.gz IDNGLEQEKZPIGT-LLVKDONJSA-N 1 2 338.320 0.872 10 5 ECBELO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000171289068 436976676 /nfs/dbraw/zinc/97/66/76/436976676.db2.gz IDNGLEQEKZPIGT-LLVKDONJSA-N 1 2 338.320 0.872 10 5 ECBELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173986562 437071793 /nfs/dbraw/zinc/07/17/93/437071793.db2.gz RCHYSWMPUNPLNV-CYBMUJFWSA-N 1 2 334.376 0.940 10 5 ECBELO O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173986562 437071796 /nfs/dbraw/zinc/07/17/96/437071796.db2.gz RCHYSWMPUNPLNV-CYBMUJFWSA-N 1 2 334.376 0.940 10 5 ECBELO O=C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173986562 437071800 /nfs/dbraw/zinc/07/18/00/437071800.db2.gz RCHYSWMPUNPLNV-CYBMUJFWSA-N 1 2 334.376 0.940 10 5 ECBELO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1[NH+]1CCOCC1 ZINC000176952273 437164559 /nfs/dbraw/zinc/16/45/59/437164559.db2.gz GZWFDPPSEPEYPQ-SMDDNHRTSA-N 1 2 334.376 0.970 10 5 ECBELO Cc1nn(C)c(C)c1CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176233098 437135621 /nfs/dbraw/zinc/13/56/21/437135621.db2.gz UCUHXLMRCFJHBY-UHFFFAOYSA-N 1 2 347.423 0.959 10 5 ECBELO CC(C)(C)NN=c1nc[nH]c(NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000040659920 213365106 /nfs/dbraw/zinc/36/51/06/213365106.db2.gz MSTUNVUCQYVIDM-UHFFFAOYSA-N 1 2 339.400 0.844 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000126727806 436792286 /nfs/dbraw/zinc/79/22/86/436792286.db2.gz MGALECZNHKOUNA-LBPRGKRZSA-N 1 2 345.359 0.841 10 5 ECBELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000126727806 436792289 /nfs/dbraw/zinc/79/22/89/436792289.db2.gz MGALECZNHKOUNA-LBPRGKRZSA-N 1 2 345.359 0.841 10 5 ECBELO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000174848893 231325198 /nfs/dbraw/zinc/32/51/98/231325198.db2.gz JTJUWCYDIDZTEN-UHFFFAOYSA-N 1 2 343.351 0.051 10 5 ECBELO COc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000269361010 436663834 /nfs/dbraw/zinc/66/38/34/436663834.db2.gz MOQUGBQIPXVJNI-SNVBAGLBSA-N 1 2 329.328 0.848 10 5 ECBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c1C ZINC000120073861 436678294 /nfs/dbraw/zinc/67/82/94/436678294.db2.gz RZVFPLQGGICHPX-LBPRGKRZSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c1C ZINC000120073861 436678296 /nfs/dbraw/zinc/67/82/96/436678296.db2.gz RZVFPLQGGICHPX-LBPRGKRZSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)cc1C ZINC000171094099 436967237 /nfs/dbraw/zinc/96/72/37/436967237.db2.gz QBROUYTZFDLOAJ-LBPRGKRZSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1C ZINC000171094099 436967239 /nfs/dbraw/zinc/96/72/39/436967239.db2.gz QBROUYTZFDLOAJ-LBPRGKRZSA-N 1 2 343.405 0.821 10 5 ECBELO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172762219 437028985 /nfs/dbraw/zinc/02/89/85/437028985.db2.gz QTADJLAQSGRAIX-ZDUSSCGKSA-N 1 2 335.360 0.907 10 5 ECBELO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000176705073 288260488 /nfs/dbraw/zinc/26/04/88/288260488.db2.gz GSCXTIUTSCPIKD-ABAIWWIYSA-N 1 2 334.376 0.851 10 5 ECBELO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000189920783 437612414 /nfs/dbraw/zinc/61/24/14/437612414.db2.gz NNYZENCNPJMRNF-LBPRGKRZSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000189920783 437612421 /nfs/dbraw/zinc/61/24/21/437612421.db2.gz NNYZENCNPJMRNF-LBPRGKRZSA-N 1 2 343.405 0.821 10 5 ECBELO O=C(NC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC000185936967 437455518 /nfs/dbraw/zinc/45/55/18/437455518.db2.gz QLKPVJZXJCSPLO-AWEZNQCLSA-N 1 2 349.387 0.935 10 5 ECBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000154112643 534626239 /nfs/dbraw/zinc/62/62/39/534626239.db2.gz DDBMDYUFVLIYCI-NSHDSACASA-N 1 2 343.767 0.671 10 5 ECBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000125500076 436770770 /nfs/dbraw/zinc/77/07/70/436770770.db2.gz 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O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173986550 437070079 /nfs/dbraw/zinc/07/00/79/437070079.db2.gz RCHYSWMPUNPLNV-ZDUSSCGKSA-N 1 2 334.376 0.940 10 5 ECBELO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173986550 437070083 /nfs/dbraw/zinc/07/00/83/437070083.db2.gz RCHYSWMPUNPLNV-ZDUSSCGKSA-N 1 2 334.376 0.940 10 5 ECBELO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173986550 437070086 /nfs/dbraw/zinc/07/00/86/437070086.db2.gz RCHYSWMPUNPLNV-ZDUSSCGKSA-N 1 2 334.376 0.940 10 5 ECBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000189318381 437591089 /nfs/dbraw/zinc/59/10/89/437591089.db2.gz BQGRLVMPIFXMOE-QWHCGFSZSA-N 1 2 349.347 0.910 10 5 ECBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000189318381 437591095 /nfs/dbraw/zinc/59/10/95/437591095.db2.gz BQGRLVMPIFXMOE-QWHCGFSZSA-N 1 2 349.347 0.910 10 5 ECBELO Cc1cnn(C[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c1 ZINC000131866917 223279214 /nfs/dbraw/zinc/27/92/14/223279214.db2.gz VCBUYJBYGAVKDJ-OAHLLOKOSA-N 1 2 347.375 0.662 10 5 ECBELO Cc1cnn(C[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)c1 ZINC000131866917 223279216 /nfs/dbraw/zinc/27/92/16/223279216.db2.gz VCBUYJBYGAVKDJ-OAHLLOKOSA-N 1 2 347.375 0.662 10 5 ECBELO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3C[NH+]4CCN3CC4)cc2N1 ZINC000301776275 296891080 /nfs/dbraw/zinc/89/10/80/296891080.db2.gz LKPZZUXJOPZGOC-JTQLQIEISA-N 1 2 333.348 0.337 10 5 ECBELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000106397401 436592811 /nfs/dbraw/zinc/59/28/11/436592811.db2.gz WXPOZFAYEGZMLH-GFCCVEGCSA-N 1 2 347.375 1.000 10 5 ECBELO CCc1n[nH]c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173982539 437069973 /nfs/dbraw/zinc/06/99/73/437069973.db2.gz GXRFWFRZDANJHH-ZYHUDNBSSA-N 1 2 337.380 0.673 10 5 ECBELO CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173982539 437069980 /nfs/dbraw/zinc/06/99/80/437069980.db2.gz GXRFWFRZDANJHH-ZYHUDNBSSA-N 1 2 337.380 0.673 10 5 ECBELO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173968269 534420019 /nfs/dbraw/zinc/42/00/19/534420019.db2.gz OBYXAPOSVOJHQC-ABAIWWIYSA-N 1 2 334.376 0.970 10 5 ECBELO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000191902734 239374873 /nfs/dbraw/zinc/37/48/73/239374873.db2.gz HVRPJBFEJOXOOX-GFCCVEGCSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000191902734 239374879 /nfs/dbraw/zinc/37/48/79/239374879.db2.gz HVRPJBFEJOXOOX-GFCCVEGCSA-N 1 2 343.405 0.821 10 5 ECBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000154112738 224204230 /nfs/dbraw/zinc/20/42/30/224204230.db2.gz DDBMDYUFVLIYCI-LLVKDONJSA-N 1 2 343.767 0.671 10 5 ECBELO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000246428323 165134836 /nfs/dbraw/zinc/13/48/36/165134836.db2.gz GSCXTIUTSCPIKD-IAQYHMDHSA-N 1 2 334.376 0.851 10 5 ECBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000132877473 436869543 /nfs/dbraw/zinc/86/95/43/436869543.db2.gz QJWBJBFDFGCDDK-SNVBAGLBSA-N 1 2 343.767 0.671 10 5 ECBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1[NH+]1CCOCC1 ZINC000184457824 437401194 /nfs/dbraw/zinc/40/11/94/437401194.db2.gz JCIBXNIQBZWSDB-NHYWBVRUSA-N 1 2 334.376 0.970 10 5 ECBELO O=C(NC1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000185934895 437456407 /nfs/dbraw/zinc/45/64/07/437456407.db2.gz GWJKQPLPXYKBAS-HNNXBMFYSA-N 1 2 349.387 0.935 10 5 ECBELO C[N@@H+]1CCO[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000104798496 436562746 /nfs/dbraw/zinc/56/27/46/436562746.db2.gz GWTCYFUAFUUGFP-GFCCVEGCSA-N 1 2 337.380 0.637 10 5 ECBELO C[N@H+]1CCO[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000104798496 436562752 /nfs/dbraw/zinc/56/27/52/436562752.db2.gz GWTCYFUAFUUGFP-GFCCVEGCSA-N 1 2 337.380 0.637 10 5 ECBELO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172759708 437029640 /nfs/dbraw/zinc/02/96/40/437029640.db2.gz KBACCEQQRNCYLU-ZDUSSCGKSA-N 1 2 334.376 0.940 10 5 ECBELO C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000180825809 437303297 /nfs/dbraw/zinc/30/32/97/437303297.db2.gz KUTPXUGSYMERCW-FZMZJTMJSA-N 1 2 334.376 0.970 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000194725285 165070159 /nfs/dbraw/zinc/07/01/59/165070159.db2.gz BLMROTSREHMJPG-LBPRGKRZSA-N 1 2 346.347 0.236 10 5 ECBELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000194725285 165070162 /nfs/dbraw/zinc/07/01/62/165070162.db2.gz BLMROTSREHMJPG-LBPRGKRZSA-N 1 2 346.347 0.236 10 5 ECBELO O=c1[nH]cnc2cc(NC[C@H]3C[NH+]4CCN3CC4)c([N+](=O)[O-])cc21 ZINC000301752622 296890726 /nfs/dbraw/zinc/89/07/26/296890726.db2.gz BPAYRASOGVFNTR-JTQLQIEISA-N 1 2 330.348 0.655 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120835342 436699571 /nfs/dbraw/zinc/69/95/71/436699571.db2.gz KKGZRJNKCXVYAK-AWEZNQCLSA-N 1 2 343.405 0.387 10 5 ECBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120835342 436699574 /nfs/dbraw/zinc/69/95/74/436699574.db2.gz KKGZRJNKCXVYAK-AWEZNQCLSA-N 1 2 343.405 0.387 10 5 ECBELO NS(=O)(=O)c1ccc(NC2C[NH+]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000116883408 436653964 /nfs/dbraw/zinc/65/39/64/436653964.db2.gz PGIVAFCBXPKUJQ-JTQLQIEISA-N 1 2 342.377 0.127 10 5 ECBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152767993 436740061 /nfs/dbraw/zinc/74/00/61/436740061.db2.gz YYVVXYLYXQWHGP-CYBMUJFWSA-N 1 2 329.378 0.345 10 5 ECBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152767993 436740066 /nfs/dbraw/zinc/74/00/66/436740066.db2.gz YYVVXYLYXQWHGP-CYBMUJFWSA-N 1 2 329.378 0.345 10 5 ECBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000171094594 436966765 /nfs/dbraw/zinc/96/67/65/436966765.db2.gz ZIJJYBGUWQKLTI-SNVBAGLBSA-N 1 2 333.341 0.343 10 5 ECBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000171094594 436966768 /nfs/dbraw/zinc/96/67/68/436966768.db2.gz ZIJJYBGUWQKLTI-SNVBAGLBSA-N 1 2 333.341 0.343 10 5 ECBELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000152664791 609871780 /nfs/dbraw/zinc/87/17/80/609871780.db2.gz XRKJVMXHRJQRQG-UHFFFAOYSA-N 1 2 333.396 0.917 10 5 ECBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132439861 436865317 /nfs/dbraw/zinc/86/53/17/436865317.db2.gz OGCJORHFIMZQQY-CYBMUJFWSA-N 1 2 343.767 0.671 10 5 ECBELO Cc1c(CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000133028556 436872960 /nfs/dbraw/zinc/87/29/60/436872960.db2.gz NOTDDWUTLXXEDT-CQSZACIVSA-N 1 2 337.376 0.255 10 5 ECBELO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172749729 437027416 /nfs/dbraw/zinc/02/74/16/437027416.db2.gz KISZGHOFQGONCE-CYBMUJFWSA-N 1 2 337.380 0.423 10 5 ECBELO CN(CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000174013837 437072852 /nfs/dbraw/zinc/07/28/52/437072852.db2.gz OEERSWAVRQBAPP-AWEZNQCLSA-N 1 2 348.403 0.964 10 5 ECBELO CCOC(=O)N1CCN(c2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])CC1 ZINC000040661540 132405003 /nfs/dbraw/zinc/40/50/03/132405003.db2.gz XCXGBDFZBKIQEA-UHFFFAOYSA-N 1 2 347.335 0.849 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000194723677 165070182 /nfs/dbraw/zinc/07/01/82/165070182.db2.gz CVMRBWDOLKYADR-AWEZNQCLSA-N 1 2 345.359 0.841 10 5 ECBELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000194723677 165070185 /nfs/dbraw/zinc/07/01/85/165070185.db2.gz CVMRBWDOLKYADR-AWEZNQCLSA-N 1 2 345.359 0.841 10 5 ECBELO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000174775055 231305931 /nfs/dbraw/zinc/30/59/31/231305931.db2.gz JPSJMVRWISHDFJ-NWDGAFQWSA-N 1 2 339.377 0.682 10 5 ECBELO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000174775055 231305932 /nfs/dbraw/zinc/30/59/32/231305932.db2.gz JPSJMVRWISHDFJ-NWDGAFQWSA-N 1 2 339.377 0.682 10 5 ECBELO O=C(NC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC000187983788 236370464 /nfs/dbraw/zinc/37/04/64/236370464.db2.gz ZONBDKBHKIJRNB-ZDUSSCGKSA-N 1 2 335.360 0.545 10 5 ECBELO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000173968300 534421142 /nfs/dbraw/zinc/42/11/42/534421142.db2.gz OBYXAPOSVOJHQC-IAQYHMDHSA-N 1 2 334.376 0.970 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152768146 436740001 /nfs/dbraw/zinc/74/00/01/436740001.db2.gz YYVVXYLYXQWHGP-ZDUSSCGKSA-N 1 2 329.378 0.345 10 5 ECBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152768146 436740004 /nfs/dbraw/zinc/74/00/04/436740004.db2.gz YYVVXYLYXQWHGP-ZDUSSCGKSA-N 1 2 329.378 0.345 10 5 ECBELO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000246704167 436784920 /nfs/dbraw/zinc/78/49/20/436784920.db2.gz JPSJMVRWISHDFJ-NEPJUHHUSA-N 1 2 339.377 0.682 10 5 ECBELO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000246704167 436784923 /nfs/dbraw/zinc/78/49/23/436784923.db2.gz JPSJMVRWISHDFJ-NEPJUHHUSA-N 1 2 339.377 0.682 10 5 ECBELO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000179224426 437254340 /nfs/dbraw/zinc/25/43/40/437254340.db2.gz FPCQHYDVJDYOBN-CQSZACIVSA-N 1 2 345.359 0.809 10 5 ECBELO C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173968284 231086185 /nfs/dbraw/zinc/08/61/85/231086185.db2.gz OBYXAPOSVOJHQC-NHYWBVRUSA-N 1 2 334.376 0.970 10 5 ECBELO C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000173968317 231086221 /nfs/dbraw/zinc/08/62/21/231086221.db2.gz OBYXAPOSVOJHQC-XHDPSFHLSA-N 1 2 334.376 0.970 10 5 ECBELO NS(=O)(=O)c1ccc(NC2C[NH+]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000116883406 436654441 /nfs/dbraw/zinc/65/44/41/436654441.db2.gz PGIVAFCBXPKUJQ-SNVBAGLBSA-N 1 2 342.377 0.127 10 5 ECBELO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1[NH+]1CCOCC1 ZINC000176952258 437163566 /nfs/dbraw/zinc/16/35/66/437163566.db2.gz GZWFDPPSEPEYPQ-BXUZGUMPSA-N 1 2 334.376 0.970 10 5 ECBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000185014969 437422005 /nfs/dbraw/zinc/42/20/05/437422005.db2.gz GDRBZVKJQRIRRV-IVOILVROSA-N 1 2 349.387 0.807 10 5 ECBELO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171094744 436966621 /nfs/dbraw/zinc/96/66/21/436966621.db2.gz RUIGUJKCDZUFDE-LBPRGKRZSA-N 1 2 329.378 0.512 10 5 ECBELO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171094744 436966624 /nfs/dbraw/zinc/96/66/24/436966624.db2.gz RUIGUJKCDZUFDE-LBPRGKRZSA-N 1 2 329.378 0.512 10 5 ECBELO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000184671606 437408507 /nfs/dbraw/zinc/40/85/07/437408507.db2.gz VYSLCMWNDMPTNC-LLVKDONJSA-N 1 2 337.380 0.755 10 5 ECBELO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000184671606 437408508 /nfs/dbraw/zinc/40/85/08/437408508.db2.gz VYSLCMWNDMPTNC-LLVKDONJSA-N 1 2 337.380 0.755 10 5 ECBELO CCOCC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1C ZINC000123376718 222267054 /nfs/dbraw/zinc/26/70/54/222267054.db2.gz SRTTYIJRHNBLOW-LLVKDONJSA-N 1 2 325.369 0.511 10 5 ECBELO CCOCC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1C ZINC000123376718 222267058 /nfs/dbraw/zinc/26/70/58/222267058.db2.gz SRTTYIJRHNBLOW-LLVKDONJSA-N 1 2 325.369 0.511 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000120835020 436700037 /nfs/dbraw/zinc/70/00/37/436700037.db2.gz ZXOFWKFHCXTDQD-ZDUSSCGKSA-N 1 2 343.405 0.387 10 5 ECBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000120835020 436700038 /nfs/dbraw/zinc/70/00/38/436700038.db2.gz ZXOFWKFHCXTDQD-ZDUSSCGKSA-N 1 2 343.405 0.387 10 5 ECBELO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172763163 437028943 /nfs/dbraw/zinc/02/89/43/437028943.db2.gz XOARGMVZHZMKBH-AWEZNQCLSA-N 1 2 335.360 0.907 10 5 ECBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000132308452 436862388 /nfs/dbraw/zinc/86/23/88/436862388.db2.gz JTUHLVPJZBKAER-LBPRGKRZSA-N 1 2 348.359 0.499 10 5 ECBELO Cc1c(CC(=O)NC[C@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000133028346 436872455 /nfs/dbraw/zinc/87/24/55/436872455.db2.gz NOTDDWUTLXXEDT-AWEZNQCLSA-N 1 2 337.376 0.255 10 5 ECBELO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000171288944 436975890 /nfs/dbraw/zinc/97/58/90/436975890.db2.gz SYLMEONNDQNNPQ-LLVKDONJSA-N 1 2 338.320 0.872 10 5 ECBELO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000171288944 436975894 /nfs/dbraw/zinc/97/58/94/436975894.db2.gz SYLMEONNDQNNPQ-LLVKDONJSA-N 1 2 338.320 0.872 10 5 ECBELO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1[NH+]1CCOCC1 ZINC000176952246 207277783 /nfs/dbraw/zinc/27/77/83/207277783.db2.gz GZWFDPPSEPEYPQ-FZMZJTMJSA-N 1 2 334.376 0.970 10 5 ECBELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000152667384 609872303 /nfs/dbraw/zinc/87/23/03/609872303.db2.gz PWGGHFXXZNLXOK-UHFFFAOYSA-N 1 2 333.396 0.917 10 5 ECBELO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000172756134 164847283 /nfs/dbraw/zinc/84/72/83/164847283.db2.gz KSKCLPZLSLSGBX-LLVKDONJSA-N 1 2 338.339 0.863 10 5 ECBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000171094637 436966915 /nfs/dbraw/zinc/96/69/15/436966915.db2.gz GPHKNGAEYVDYOO-SECBINFHSA-N 1 2 333.341 0.343 10 5 ECBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000171094637 436966917 /nfs/dbraw/zinc/96/69/17/436966917.db2.gz GPHKNGAEYVDYOO-SECBINFHSA-N 1 2 333.341 0.343 10 5 ECBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000132308662 295658597 /nfs/dbraw/zinc/65/85/97/295658597.db2.gz JTUHLVPJZBKAER-GFCCVEGCSA-N 1 2 348.359 0.499 10 5 ECBELO CS(=O)(=O)c1cc(N2CCC[N@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000124664934 436755157 /nfs/dbraw/zinc/75/51/57/436755157.db2.gz HVQBZNJPSWUPEH-UHFFFAOYSA-N 1 2 343.405 0.503 10 5 ECBELO CS(=O)(=O)c1cc(N2CCC[N@@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000124664934 436755160 /nfs/dbraw/zinc/75/51/60/436755160.db2.gz HVQBZNJPSWUPEH-UHFFFAOYSA-N 1 2 343.405 0.503 10 5 ECBELO Nc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000172756130 437028578 /nfs/dbraw/zinc/02/85/78/437028578.db2.gz KSKCLPZLSLSGBX-NSHDSACASA-N 1 2 338.339 0.863 10 5 ECBELO CN(C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173990103 437071455 /nfs/dbraw/zinc/07/14/55/437071455.db2.gz FTGXDDXYRUXWKC-MRXNPFEDSA-N 1 2 348.403 0.964 10 5 ECBELO CN(C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173990103 437071459 /nfs/dbraw/zinc/07/14/59/437071459.db2.gz FTGXDDXYRUXWKC-MRXNPFEDSA-N 1 2 348.403 0.964 10 5 ECBELO CN(C(=O)CN1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173990103 437071462 /nfs/dbraw/zinc/07/14/62/437071462.db2.gz FTGXDDXYRUXWKC-MRXNPFEDSA-N 1 2 348.403 0.964 10 5 ECBELO CN(CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000174013856 437073263 /nfs/dbraw/zinc/07/32/63/437073263.db2.gz OEERSWAVRQBAPP-CQSZACIVSA-N 1 2 348.403 0.964 10 5 ECBELO C[N@@H+]1CCO[C@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000109095330 204277926 /nfs/dbraw/zinc/27/79/26/204277926.db2.gz XBRUIIQXBKOQOX-CYBMUJFWSA-N 1 2 346.347 0.236 10 5 ECBELO C[N@H+]1CCO[C@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000109095330 204277929 /nfs/dbraw/zinc/27/79/29/204277929.db2.gz XBRUIIQXBKOQOX-CYBMUJFWSA-N 1 2 346.347 0.236 10 5 ECBELO COc1cc(NC[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000269361009 436663351 /nfs/dbraw/zinc/66/33/51/436663351.db2.gz MOQUGBQIPXVJNI-JTQLQIEISA-N 1 2 329.328 0.848 10 5 ECBELO CC(=O)NC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000191499509 526712370 /nfs/dbraw/zinc/71/23/70/526712370.db2.gz JXORWDLNIXDEFU-UHFFFAOYSA-N 1 2 329.316 0.741 10 5 ECBELO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000133011283 534466142 /nfs/dbraw/zinc/46/61/42/534466142.db2.gz HKLAIZIMTGPJKA-HNNXBMFYSA-N 1 2 337.376 0.337 10 5 ECBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184371414 529789609 /nfs/dbraw/zinc/78/96/09/529789609.db2.gz GOTLBOVGJRRHGO-GFCCVEGCSA-N 1 2 329.378 0.345 10 5 ECBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184371414 529789610 /nfs/dbraw/zinc/78/96/10/529789610.db2.gz GOTLBOVGJRRHGO-GFCCVEGCSA-N 1 2 329.378 0.345 10 5 ECBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cn1 ZINC000153006249 224044258 /nfs/dbraw/zinc/04/42/58/224044258.db2.gz IHKBIJYXSPOJQV-UHFFFAOYSA-N 1 2 347.379 0.882 10 5 ECBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cn1 ZINC000153006249 224044260 /nfs/dbraw/zinc/04/42/60/224044260.db2.gz IHKBIJYXSPOJQV-UHFFFAOYSA-N 1 2 347.379 0.882 10 5 ECBELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000154106676 303785314 /nfs/dbraw/zinc/78/53/14/303785314.db2.gz OKDKHGYCUNPMJJ-LLVKDONJSA-N 1 2 343.767 0.671 10 5 ECBELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000194725265 165068362 /nfs/dbraw/zinc/06/83/62/165068362.db2.gz BLMROTSREHMJPG-GFCCVEGCSA-N 1 2 346.347 0.236 10 5 ECBELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000194725265 165068367 /nfs/dbraw/zinc/06/83/67/165068367.db2.gz BLMROTSREHMJPG-GFCCVEGCSA-N 1 2 346.347 0.236 10 5 ECBELO O=c1[nH]cnc2cc(NC[C@@H]3C[NH+]4CCN3CC4)c([N+](=O)[O-])cc21 ZINC000301752624 437131535 /nfs/dbraw/zinc/13/15/35/437131535.db2.gz BPAYRASOGVFNTR-SNVBAGLBSA-N 1 2 330.348 0.655 10 5 ECBELO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000180825825 437302621 /nfs/dbraw/zinc/30/26/21/437302621.db2.gz KUTPXUGSYMERCW-BXUZGUMPSA-N 1 2 334.376 0.970 10 5 ECBELO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000174775044 231305936 /nfs/dbraw/zinc/30/59/36/231305936.db2.gz JPSJMVRWISHDFJ-RYUDHWBXSA-N 1 2 339.377 0.682 10 5 ECBELO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000174775044 231305937 /nfs/dbraw/zinc/30/59/37/231305937.db2.gz JPSJMVRWISHDFJ-RYUDHWBXSA-N 1 2 339.377 0.682 10 5 ECBELO CCOc1ccnc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174850170 231324564 /nfs/dbraw/zinc/32/45/64/231324564.db2.gz RIMQEZMLRZYFOS-UHFFFAOYSA-N 1 2 347.379 0.802 10 5 ECBELO CCOCC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000117274528 221040539 /nfs/dbraw/zinc/04/05/39/221040539.db2.gz KFVMQJFYPKYVRF-NSHDSACASA-N 1 2 339.396 0.820 10 5 ECBELO CCOCC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000117274528 221040542 /nfs/dbraw/zinc/04/05/42/221040542.db2.gz KFVMQJFYPKYVRF-NSHDSACASA-N 1 2 339.396 0.820 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000104798498 436563804 /nfs/dbraw/zinc/56/38/04/436563804.db2.gz GWTCYFUAFUUGFP-LBPRGKRZSA-N 1 2 337.380 0.637 10 5 ECBELO C[N@H+]1CCO[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000104798498 436563806 /nfs/dbraw/zinc/56/38/06/436563806.db2.gz GWTCYFUAFUUGFP-LBPRGKRZSA-N 1 2 337.380 0.637 10 5 ECBELO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172749725 437028031 /nfs/dbraw/zinc/02/80/31/437028031.db2.gz KISZGHOFQGONCE-ZDUSSCGKSA-N 1 2 337.380 0.423 10 5 ECBELO Cc1nn(C)c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000173961211 231082754 /nfs/dbraw/zinc/08/27/54/231082754.db2.gz OMDAUFAKSCOFET-JQWIXIFHSA-N 1 2 337.380 0.429 10 5 ECBELO O=C(NC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC000187983761 236370020 /nfs/dbraw/zinc/37/00/20/236370020.db2.gz ZONBDKBHKIJRNB-CYBMUJFWSA-N 1 2 335.360 0.545 10 5 ECBELO CCCc1n[nH]c(C(=O)N2CC[NH+](C[C@H](O)CC)CC2)c1[N+](=O)[O-] ZINC000109688800 436625660 /nfs/dbraw/zinc/62/56/60/436625660.db2.gz IACIDYGSHFGWAO-LLVKDONJSA-N 1 2 339.396 0.799 10 5 ECBELO CCCc1[nH]nc(C(=O)N2CC[NH+](C[C@H](O)CC)CC2)c1[N+](=O)[O-] ZINC000109688800 436625661 /nfs/dbraw/zinc/62/56/61/436625661.db2.gz IACIDYGSHFGWAO-LLVKDONJSA-N 1 2 339.396 0.799 10 5 ECBELO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172759714 437030272 /nfs/dbraw/zinc/03/02/72/437030272.db2.gz KBACCEQQRNCYLU-CYBMUJFWSA-N 1 2 334.376 0.940 10 5 ECBELO CCc1n[nH]c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173982531 437071360 /nfs/dbraw/zinc/07/13/60/437071360.db2.gz GXRFWFRZDANJHH-CMPLNLGQSA-N 1 2 337.380 0.673 10 5 ECBELO CCc1[nH]nc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173982531 437071364 /nfs/dbraw/zinc/07/13/64/437071364.db2.gz GXRFWFRZDANJHH-CMPLNLGQSA-N 1 2 337.380 0.673 10 5 ECBELO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000079506493 217236947 /nfs/dbraw/zinc/23/69/47/217236947.db2.gz OHOSYQAWKAYQIJ-ZDUSSCGKSA-N 1 2 336.392 0.868 10 5 ECBELO O=C(NC1CC1)c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000301779955 296891149 /nfs/dbraw/zinc/89/11/49/296891149.db2.gz MYURUICKRROSDM-AWEZNQCLSA-N 1 2 345.403 0.899 10 5 ECBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2[nH]ncc2[N+](=O)[O-])nc[nH+]1 ZINC000122702370 436738185 /nfs/dbraw/zinc/73/81/85/436738185.db2.gz VJEAQQBOVQFOSV-SECBINFHSA-N 1 2 346.351 0.548 10 5 ECBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2[nH]ncc2[N+](=O)[O-])[nH+]cn1 ZINC000122702370 436738188 /nfs/dbraw/zinc/73/81/88/436738188.db2.gz VJEAQQBOVQFOSV-SECBINFHSA-N 1 2 346.351 0.548 10 5 ECBELO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000301721455 296890077 /nfs/dbraw/zinc/89/00/77/296890077.db2.gz JSJDQVPLEAOCHC-SNVBAGLBSA-N 1 2 329.328 0.848 10 5 ECBELO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000172759165 437029440 /nfs/dbraw/zinc/02/94/40/437029440.db2.gz FCKNMGZETCXPNR-LLVKDONJSA-N 1 2 337.380 0.817 10 5 ECBELO CCc1n[nH]c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173982564 437071594 /nfs/dbraw/zinc/07/15/94/437071594.db2.gz GXRFWFRZDANJHH-PWSUYJOCSA-N 1 2 337.380 0.673 10 5 ECBELO CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173982564 437071602 /nfs/dbraw/zinc/07/16/02/437071602.db2.gz GXRFWFRZDANJHH-PWSUYJOCSA-N 1 2 337.380 0.673 10 5 ECBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000185014950 527500039 /nfs/dbraw/zinc/50/00/39/527500039.db2.gz GDRBZVKJQRIRRV-DDKJEQMHSA-N 1 2 349.387 0.807 10 5 ECBELO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000079506498 217236957 /nfs/dbraw/zinc/23/69/57/217236957.db2.gz OHOSYQAWKAYQIJ-CYBMUJFWSA-N 1 2 336.392 0.868 10 5 ECBELO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000301721454 437131894 /nfs/dbraw/zinc/13/18/94/437131894.db2.gz JSJDQVPLEAOCHC-JTQLQIEISA-N 1 2 329.328 0.848 10 5 ECBELO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000184671580 437407751 /nfs/dbraw/zinc/40/77/51/437407751.db2.gz VYSLCMWNDMPTNC-NSHDSACASA-N 1 2 337.380 0.755 10 5 ECBELO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000184671580 437407758 /nfs/dbraw/zinc/40/77/58/437407758.db2.gz VYSLCMWNDMPTNC-NSHDSACASA-N 1 2 337.380 0.755 10 5 ECBELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185189219 437429801 /nfs/dbraw/zinc/42/98/01/437429801.db2.gz CLWDDXNIXFQWNF-ZJUUUORDSA-N 1 2 329.740 0.614 10 5 ECBELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185189219 437429804 /nfs/dbraw/zinc/42/98/04/437429804.db2.gz CLWDDXNIXFQWNF-ZJUUUORDSA-N 1 2 329.740 0.614 10 5 ECBELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185189199 437431163 /nfs/dbraw/zinc/43/11/63/437431163.db2.gz CLWDDXNIXFQWNF-NXEZZACHSA-N 1 2 329.740 0.614 10 5 ECBELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185189199 437431166 /nfs/dbraw/zinc/43/11/66/437431166.db2.gz CLWDDXNIXFQWNF-NXEZZACHSA-N 1 2 329.740 0.614 10 5 ECBELO O=C(NC1CC1)c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000301779956 437129891 /nfs/dbraw/zinc/12/98/91/437129891.db2.gz MYURUICKRROSDM-CQSZACIVSA-N 1 2 345.403 0.899 10 5 ECBELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cn1 ZINC000153004938 224044023 /nfs/dbraw/zinc/04/40/23/224044023.db2.gz FHUVULBVRKHKEA-UHFFFAOYSA-N 1 2 333.352 0.400 10 5 ECBELO Cn1cc(C[N@H+]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cn1 ZINC000153004938 224044024 /nfs/dbraw/zinc/04/40/24/224044024.db2.gz FHUVULBVRKHKEA-UHFFFAOYSA-N 1 2 333.352 0.400 10 5 ECBELO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172763166 437028655 /nfs/dbraw/zinc/02/86/55/437028655.db2.gz XOARGMVZHZMKBH-CQSZACIVSA-N 1 2 335.360 0.907 10 5 ECBELO Cc1noc([C@H](C)N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174849884 231324638 /nfs/dbraw/zinc/32/46/38/231324638.db2.gz WDWXZYMHEJQWAJ-NSHDSACASA-N 1 2 335.368 0.862 10 5 ECBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1C ZINC000171094093 436967157 /nfs/dbraw/zinc/96/71/57/436967157.db2.gz QBROUYTZFDLOAJ-GFCCVEGCSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC000171094093 436967160 /nfs/dbraw/zinc/96/71/60/436967160.db2.gz QBROUYTZFDLOAJ-GFCCVEGCSA-N 1 2 343.405 0.821 10 5 ECBELO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172745056 437027837 /nfs/dbraw/zinc/02/78/37/437027837.db2.gz NVVNCFPWHHPLMK-AWEZNQCLSA-N 1 2 335.360 0.907 10 5 ECBELO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000074775119 436139218 /nfs/dbraw/zinc/13/92/18/436139218.db2.gz ULXIDFLOYFFGOT-GFCCVEGCSA-N 1 2 329.378 0.546 10 5 ECBELO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000074775119 436139220 /nfs/dbraw/zinc/13/92/20/436139220.db2.gz ULXIDFLOYFFGOT-GFCCVEGCSA-N 1 2 329.378 0.546 10 5 ECBELO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172762224 437030047 /nfs/dbraw/zinc/03/00/47/437030047.db2.gz QTADJLAQSGRAIX-CYBMUJFWSA-N 1 2 335.360 0.907 10 5 ECBELO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000302512424 437146637 /nfs/dbraw/zinc/14/66/37/437146637.db2.gz GJMSVICPQHKFQZ-LLVKDONJSA-N 1 2 343.405 0.501 10 5 ECBELO CCOc1ccnc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176233246 437135372 /nfs/dbraw/zinc/13/53/72/437135372.db2.gz JXKVDWKQTQTGAI-UHFFFAOYSA-N 1 2 347.379 0.802 10 5 ECBELO CCOCC[N@@H+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C[C@H]1C ZINC000191818080 437656382 /nfs/dbraw/zinc/65/63/82/437656382.db2.gz KDFBPYUUZYLXIE-GFCCVEGCSA-N 1 2 339.396 0.994 10 5 ECBELO CCOCC[N@H+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C[C@H]1C ZINC000191818080 437656387 /nfs/dbraw/zinc/65/63/87/437656387.db2.gz KDFBPYUUZYLXIE-GFCCVEGCSA-N 1 2 339.396 0.994 10 5 ECBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000171094394 436966435 /nfs/dbraw/zinc/96/64/35/436966435.db2.gz DJOIIYFULSTDFK-SNVBAGLBSA-N 1 2 349.796 0.857 10 5 ECBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000171094394 436966436 /nfs/dbraw/zinc/96/64/36/436966436.db2.gz DJOIIYFULSTDFK-SNVBAGLBSA-N 1 2 349.796 0.857 10 5 ECBELO Cc1noc([C@@H](C)N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176232961 437135436 /nfs/dbraw/zinc/13/54/36/437135436.db2.gz RPHXIVAXNIMFDQ-LLVKDONJSA-N 1 2 335.368 0.862 10 5 ECBELO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000180825791 437303856 /nfs/dbraw/zinc/30/38/56/437303856.db2.gz KUTPXUGSYMERCW-RISCZKNCSA-N 1 2 334.376 0.970 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184371435 529784281 /nfs/dbraw/zinc/78/42/81/529784281.db2.gz GOTLBOVGJRRHGO-LBPRGKRZSA-N 1 2 329.378 0.345 10 5 ECBELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184371435 529784282 /nfs/dbraw/zinc/78/42/82/529784282.db2.gz GOTLBOVGJRRHGO-LBPRGKRZSA-N 1 2 329.378 0.345 10 5 ECBELO O=C(NC1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC000187977919 236367289 /nfs/dbraw/zinc/36/72/89/236367289.db2.gz UZYXSLSZGMWNLD-CQSZACIVSA-N 1 2 335.360 0.545 10 5 ECBELO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172745061 437026481 /nfs/dbraw/zinc/02/64/81/437026481.db2.gz NVVNCFPWHHPLMK-CQSZACIVSA-N 1 2 335.360 0.907 10 5 ECBELO Cc1nn(C)c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173961197 437071015 /nfs/dbraw/zinc/07/10/15/437071015.db2.gz OMDAUFAKSCOFET-ZYHUDNBSSA-N 1 2 337.380 0.429 10 5 ECBELO Cc1nn(C)c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000173961185 231082830 /nfs/dbraw/zinc/08/28/30/231082830.db2.gz OMDAUFAKSCOFET-CMPLNLGQSA-N 1 2 337.380 0.429 10 5 ECBELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000194723659 165069368 /nfs/dbraw/zinc/06/93/68/165069368.db2.gz CVMRBWDOLKYADR-CQSZACIVSA-N 1 2 345.359 0.841 10 5 ECBELO C[N@H+]1CCO[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000194723659 165069372 /nfs/dbraw/zinc/06/93/72/165069372.db2.gz CVMRBWDOLKYADR-CQSZACIVSA-N 1 2 345.359 0.841 10 5 ECBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000120834821 436699852 /nfs/dbraw/zinc/69/98/52/436699852.db2.gz ZXOFWKFHCXTDQD-CYBMUJFWSA-N 1 2 343.405 0.387 10 5 ECBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000120834821 436699856 /nfs/dbraw/zinc/69/98/56/436699856.db2.gz ZXOFWKFHCXTDQD-CYBMUJFWSA-N 1 2 343.405 0.387 10 5 ECBELO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000246704190 436784884 /nfs/dbraw/zinc/78/48/84/436784884.db2.gz JPSJMVRWISHDFJ-VXGBXAGGSA-N 1 2 339.377 0.682 10 5 ECBELO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000246704190 436784888 /nfs/dbraw/zinc/78/48/88/436784888.db2.gz JPSJMVRWISHDFJ-VXGBXAGGSA-N 1 2 339.377 0.682 10 5 ECBELO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179224436 437254410 /nfs/dbraw/zinc/25/44/10/437254410.db2.gz FPCQHYDVJDYOBN-AWEZNQCLSA-N 1 2 345.359 0.809 10 5 ECBELO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000131865294 534321105 /nfs/dbraw/zinc/32/11/05/534321105.db2.gz ZNVDZYGAVJLYSD-CQSZACIVSA-N 1 2 333.348 0.354 10 5 ECBELO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000131865294 534321108 /nfs/dbraw/zinc/32/11/08/534321108.db2.gz ZNVDZYGAVJLYSD-CQSZACIVSA-N 1 2 333.348 0.354 10 5 ECBELO Cc1noc([C@@H](C)N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174849879 534438323 /nfs/dbraw/zinc/43/83/23/534438323.db2.gz WDWXZYMHEJQWAJ-LLVKDONJSA-N 1 2 335.368 0.862 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000111587848 220167776 /nfs/dbraw/zinc/16/77/76/220167776.db2.gz IHVHKPGDMSBGID-NSHDSACASA-N 1 2 346.343 0.497 10 5 ECBELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000111587848 220167782 /nfs/dbraw/zinc/16/77/82/220167782.db2.gz IHVHKPGDMSBGID-NSHDSACASA-N 1 2 346.343 0.497 10 5 ECBELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120835204 277127867 /nfs/dbraw/zinc/12/78/67/277127867.db2.gz KKGZRJNKCXVYAK-CQSZACIVSA-N 1 2 343.405 0.387 10 5 ECBELO C[N@H+]1CCO[C@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120835204 277127868 /nfs/dbraw/zinc/12/78/68/277127868.db2.gz KKGZRJNKCXVYAK-CQSZACIVSA-N 1 2 343.405 0.387 10 5 ECBELO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000246428336 436778526 /nfs/dbraw/zinc/77/85/26/436778526.db2.gz GSCXTIUTSCPIKD-XHDPSFHLSA-N 1 2 334.376 0.851 10 5 ECBELO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171094740 436967262 /nfs/dbraw/zinc/96/72/62/436967262.db2.gz RUIGUJKCDZUFDE-GFCCVEGCSA-N 1 2 329.378 0.512 10 5 ECBELO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171094740 436967263 /nfs/dbraw/zinc/96/72/63/436967263.db2.gz RUIGUJKCDZUFDE-GFCCVEGCSA-N 1 2 329.378 0.512 10 5 ECBELO CN(C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173990092 437070718 /nfs/dbraw/zinc/07/07/18/437070718.db2.gz FTGXDDXYRUXWKC-INIZCTEOSA-N 1 2 348.403 0.964 10 5 ECBELO CN(C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173990092 437070720 /nfs/dbraw/zinc/07/07/20/437070720.db2.gz FTGXDDXYRUXWKC-INIZCTEOSA-N 1 2 348.403 0.964 10 5 ECBELO CN(C(=O)CN1CC[C@H]([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173990092 437070722 /nfs/dbraw/zinc/07/07/22/437070722.db2.gz FTGXDDXYRUXWKC-INIZCTEOSA-N 1 2 348.403 0.964 10 5 ECBELO Cc1cc(C)c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000191902742 239375023 /nfs/dbraw/zinc/37/50/23/239375023.db2.gz HVRPJBFEJOXOOX-LBPRGKRZSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1cc(C)c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000191902742 239375028 /nfs/dbraw/zinc/37/50/28/239375028.db2.gz HVRPJBFEJOXOOX-LBPRGKRZSA-N 1 2 343.405 0.821 10 5 ECBELO CCc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000173982551 437070699 /nfs/dbraw/zinc/07/06/99/437070699.db2.gz GXRFWFRZDANJHH-JQWIXIFHSA-N 1 2 337.380 0.673 10 5 ECBELO CCc1[nH]nc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000173982551 437070701 /nfs/dbraw/zinc/07/07/01/437070701.db2.gz GXRFWFRZDANJHH-JQWIXIFHSA-N 1 2 337.380 0.673 10 5 ECBELO CCCc1n[nH]c(C(=O)N2CC[NH+](C[C@@H](O)CC)CC2)c1[N+](=O)[O-] ZINC000109688804 436625945 /nfs/dbraw/zinc/62/59/45/436625945.db2.gz IACIDYGSHFGWAO-NSHDSACASA-N 1 2 339.396 0.799 10 5 ECBELO CCCc1[nH]nc(C(=O)N2CC[NH+](C[C@@H](O)CC)CC2)c1[N+](=O)[O-] ZINC000109688804 436625948 /nfs/dbraw/zinc/62/59/48/436625948.db2.gz IACIDYGSHFGWAO-NSHDSACASA-N 1 2 339.396 0.799 10 5 ECBELO CCc1ccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000128033620 436811774 /nfs/dbraw/zinc/81/17/74/436811774.db2.gz ZKBRJDASRDGUKS-AWEZNQCLSA-N 1 2 337.376 0.580 10 5 ECBELO Cc1nn(CCC(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000170683781 436950318 /nfs/dbraw/zinc/95/03/18/436950318.db2.gz QRAONSDBKSMNCU-LBPRGKRZSA-N 1 2 325.369 0.245 10 5 ECBELO Cc1nn(CCC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000170683781 436950322 /nfs/dbraw/zinc/95/03/22/436950322.db2.gz QRAONSDBKSMNCU-LBPRGKRZSA-N 1 2 325.369 0.245 10 5 ECBELO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000172759157 437030029 /nfs/dbraw/zinc/03/00/29/437030029.db2.gz FCKNMGZETCXPNR-NSHDSACASA-N 1 2 337.380 0.817 10 5 ECBELO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1[NH+]1CCOCC1 ZINC000176952236 437163923 /nfs/dbraw/zinc/16/39/23/437163923.db2.gz GZWFDPPSEPEYPQ-RISCZKNCSA-N 1 2 334.376 0.970 10 5 ECBELO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000131865093 534320627 /nfs/dbraw/zinc/32/06/27/534320627.db2.gz ZNVDZYGAVJLYSD-AWEZNQCLSA-N 1 2 333.348 0.354 10 5 ECBELO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000131865093 534320636 /nfs/dbraw/zinc/32/06/36/534320636.db2.gz ZNVDZYGAVJLYSD-AWEZNQCLSA-N 1 2 333.348 0.354 10 5 ECBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132439731 436864832 /nfs/dbraw/zinc/86/48/32/436864832.db2.gz OGCJORHFIMZQQY-ZDUSSCGKSA-N 1 2 343.767 0.671 10 5 ECBELO CCOCC[N@@H+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000191818095 437658103 /nfs/dbraw/zinc/65/81/03/437658103.db2.gz KDFBPYUUZYLXIE-LBPRGKRZSA-N 1 2 339.396 0.994 10 5 ECBELO CCOCC[N@H+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000191818095 437658106 /nfs/dbraw/zinc/65/81/06/437658106.db2.gz KDFBPYUUZYLXIE-LBPRGKRZSA-N 1 2 339.396 0.994 10 5 ECBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000175095104 231384221 /nfs/dbraw/zinc/38/42/21/231384221.db2.gz KZCRYNSHJXGART-CYBMUJFWSA-N 1 2 343.405 0.821 10 5 ECBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000175095104 231384223 /nfs/dbraw/zinc/38/42/23/231384223.db2.gz KZCRYNSHJXGART-CYBMUJFWSA-N 1 2 343.405 0.821 10 5 ECBELO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3C[NH+]4CCN3CC4)cc2N1 ZINC000301776278 296891074 /nfs/dbraw/zinc/89/10/74/296891074.db2.gz LKPZZUXJOPZGOC-SNVBAGLBSA-N 1 2 333.348 0.337 10 5 ECBELO CN(C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000074775116 436138749 /nfs/dbraw/zinc/13/87/49/436138749.db2.gz ULXIDFLOYFFGOT-LBPRGKRZSA-N 1 2 329.378 0.546 10 5 ECBELO CN(C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000074775116 436138752 /nfs/dbraw/zinc/13/87/52/436138752.db2.gz ULXIDFLOYFFGOT-LBPRGKRZSA-N 1 2 329.378 0.546 10 5 ECBELO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000176705085 437153066 /nfs/dbraw/zinc/15/30/66/437153066.db2.gz GSCXTIUTSCPIKD-NHYWBVRUSA-N 1 2 334.376 0.851 10 5 ECBELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179176076 437255763 /nfs/dbraw/zinc/25/57/63/437255763.db2.gz YGLISBASKNBFSD-ZJUUUORDSA-N 1 2 329.740 0.614 10 5 ECBELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179176076 437255769 /nfs/dbraw/zinc/25/57/69/437255769.db2.gz YGLISBASKNBFSD-ZJUUUORDSA-N 1 2 329.740 0.614 10 5 ECBELO O=C(NC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC000185936951 437455632 /nfs/dbraw/zinc/45/56/32/437455632.db2.gz QLKPVJZXJCSPLO-CQSZACIVSA-N 1 2 349.387 0.935 10 5 ECBELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000109095332 436622716 /nfs/dbraw/zinc/62/27/16/436622716.db2.gz XBRUIIQXBKOQOX-ZDUSSCGKSA-N 1 2 346.347 0.236 10 5 ECBELO C[N@H+]1CCO[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000109095332 436622719 /nfs/dbraw/zinc/62/27/19/436622719.db2.gz XBRUIIQXBKOQOX-ZDUSSCGKSA-N 1 2 346.347 0.236 10 5 ECBELO CC[C@H](O)C[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000106397398 436593686 /nfs/dbraw/zinc/59/36/86/436593686.db2.gz WXPOZFAYEGZMLH-LBPRGKRZSA-N 1 2 347.375 1.000 10 5 ECBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000154106592 436771161 /nfs/dbraw/zinc/77/11/61/436771161.db2.gz OKDKHGYCUNPMJJ-NSHDSACASA-N 1 2 343.767 0.671 10 5 ECBELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000132877281 436870557 /nfs/dbraw/zinc/87/05/57/436870557.db2.gz QJWBJBFDFGCDDK-JTQLQIEISA-N 1 2 343.767 0.671 10 5 ECBELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179176062 437255378 /nfs/dbraw/zinc/25/53/78/437255378.db2.gz YGLISBASKNBFSD-NXEZZACHSA-N 1 2 329.740 0.614 10 5 ECBELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179176062 437255380 /nfs/dbraw/zinc/25/53/80/437255380.db2.gz YGLISBASKNBFSD-NXEZZACHSA-N 1 2 329.740 0.614 10 5 ECBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1[NH+]1CCOCC1 ZINC000184457805 437402525 /nfs/dbraw/zinc/40/25/25/437402525.db2.gz JCIBXNIQBZWSDB-ABAIWWIYSA-N 1 2 334.376 0.970 10 5 ECBELO