smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000166246604 226153791 /nfs/dbraw/zinc/15/37/91/226153791.db2.gz CMYQWAHTNSWSIP-OWQGQXMQSA-N 2 2 329.444 3.131 20 5 EGBDLP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@H+]1C1CC1 ZINC000166246604 226153793 /nfs/dbraw/zinc/15/37/93/226153793.db2.gz CMYQWAHTNSWSIP-OWQGQXMQSA-N 2 2 329.444 3.131 20 5 EGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000413063834 309014198 /nfs/dbraw/zinc/01/41/98/309014198.db2.gz DWGVBKLEJMYHDX-UHFFFAOYSA-N 2 2 326.400 3.429 20 5 EGBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493136079 311332585 /nfs/dbraw/zinc/33/25/85/311332585.db2.gz XZMIEJUYLPTPJD-CYBMUJFWSA-N 2 2 334.807 3.418 20 5 EGBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697832 314139957 /nfs/dbraw/zinc/13/99/57/314139957.db2.gz RRYJCBPKVOWXHL-XQDHMALISA-N 2 2 329.444 3.272 20 5 EGBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697832 314139960 /nfs/dbraw/zinc/13/99/60/314139960.db2.gz RRYJCBPKVOWXHL-XQDHMALISA-N 2 2 329.444 3.272 20 5 EGBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697832 314139963 /nfs/dbraw/zinc/13/99/63/314139963.db2.gz RRYJCBPKVOWXHL-XQDHMALISA-N 2 2 329.444 3.272 20 5 EGBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697832 314139966 /nfs/dbraw/zinc/13/99/66/314139966.db2.gz RRYJCBPKVOWXHL-XQDHMALISA-N 2 2 329.444 3.272 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000163788900 454864829 /nfs/dbraw/zinc/86/48/29/454864829.db2.gz IGUOCUOBKXMOLF-QGZVFWFLSA-N 2 2 340.427 3.403 20 5 EGBDLP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000180163880 455143202 /nfs/dbraw/zinc/14/32/02/455143202.db2.gz AOVRIMRQFVDZQZ-UHFFFAOYSA-N 2 2 345.365 3.144 20 5 EGBDLP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158937853 455338883 /nfs/dbraw/zinc/33/88/83/455338883.db2.gz KIVKAFADOIDNGN-RTBURBONSA-N 2 2 349.475 3.118 20 5 EGBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985824 456428850 /nfs/dbraw/zinc/42/88/50/456428850.db2.gz LLLRZEDGVBWMFJ-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985824 456428855 /nfs/dbraw/zinc/42/88/55/456428855.db2.gz LLLRZEDGVBWMFJ-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985824 456428860 /nfs/dbraw/zinc/42/88/60/456428860.db2.gz LLLRZEDGVBWMFJ-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985824 456428865 /nfs/dbraw/zinc/42/88/65/456428865.db2.gz LLLRZEDGVBWMFJ-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000276895888 456614156 /nfs/dbraw/zinc/61/41/56/456614156.db2.gz KWWHKBOQYKLVQP-UHFFFAOYSA-N 2 2 335.448 3.300 20 5 EGBDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000276895888 456614159 /nfs/dbraw/zinc/61/41/59/456614159.db2.gz KWWHKBOQYKLVQP-UHFFFAOYSA-N 2 2 335.448 3.300 20 5 EGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373105064 458398333 /nfs/dbraw/zinc/39/83/33/458398333.db2.gz ULXOVQQSAXDIJD-GFCCVEGCSA-N 2 2 334.807 3.361 20 5 EGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373105064 458398336 /nfs/dbraw/zinc/39/83/36/458398336.db2.gz ULXOVQQSAXDIJD-GFCCVEGCSA-N 2 2 334.807 3.361 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000468632009 458529823 /nfs/dbraw/zinc/52/98/23/458529823.db2.gz UOEZVTYVGZMUAQ-RVDMUPIBSA-N 2 2 336.395 3.478 20 5 EGBDLP CCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC[NH2+]C1 ZINC000470020935 458607948 /nfs/dbraw/zinc/60/79/48/458607948.db2.gz NWPAYYJYKNPFTR-INIZCTEOSA-N 2 2 329.400 3.429 20 5 EGBDLP CCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC[NH2+]C1 ZINC000470020935 458607956 /nfs/dbraw/zinc/60/79/56/458607956.db2.gz NWPAYYJYKNPFTR-INIZCTEOSA-N 2 2 329.400 3.429 20 5 EGBDLP CCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC[NH2+]C1 ZINC000470020936 458608030 /nfs/dbraw/zinc/60/80/30/458608030.db2.gz NWPAYYJYKNPFTR-MRXNPFEDSA-N 2 2 329.400 3.429 20 5 EGBDLP CCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC[NH2+]C1 ZINC000470020936 458608038 /nfs/dbraw/zinc/60/80/38/458608038.db2.gz NWPAYYJYKNPFTR-MRXNPFEDSA-N 2 2 329.400 3.429 20 5 EGBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801696 459148789 /nfs/dbraw/zinc/14/87/89/459148789.db2.gz GQKITJSUUUZPFL-JFIYKMOQSA-N 2 2 331.460 3.237 20 5 EGBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801696 459148791 /nfs/dbraw/zinc/14/87/91/459148791.db2.gz GQKITJSUUUZPFL-JFIYKMOQSA-N 2 2 331.460 3.237 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000595009703 459214528 /nfs/dbraw/zinc/21/45/28/459214528.db2.gz CXNOUDRERYLRBS-HUUCEWRRSA-N 2 2 335.448 3.374 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000595009703 459214533 /nfs/dbraw/zinc/21/45/33/459214533.db2.gz CXNOUDRERYLRBS-HUUCEWRRSA-N 2 2 335.448 3.374 20 5 EGBDLP COc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000534126555 459292478 /nfs/dbraw/zinc/29/24/78/459292478.db2.gz LKMODYIUZVSVFG-UHFFFAOYSA-N 2 2 342.399 3.075 20 5 EGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582665 460188296 /nfs/dbraw/zinc/18/82/96/460188296.db2.gz IZCCXGBPURSYLP-OLZOCXBDSA-N 2 2 332.404 3.041 20 5 EGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582665 460188301 /nfs/dbraw/zinc/18/83/01/460188301.db2.gz IZCCXGBPURSYLP-OLZOCXBDSA-N 2 2 332.404 3.041 20 5 EGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582665 460188308 /nfs/dbraw/zinc/18/83/08/460188308.db2.gz IZCCXGBPURSYLP-OLZOCXBDSA-N 2 2 332.404 3.041 20 5 EGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582665 460188317 /nfs/dbraw/zinc/18/83/17/460188317.db2.gz IZCCXGBPURSYLP-OLZOCXBDSA-N 2 2 332.404 3.041 20 5 EGBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264968948 247095235 /nfs/dbraw/zinc/09/52/35/247095235.db2.gz QHUFSEYLFBMPKU-GFCCVEGCSA-N 2 2 343.412 3.093 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246831134 141038056 /nfs/dbraw/zinc/03/80/56/141038056.db2.gz OCWITYOQGKNKHN-KSSFIOAISA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246831134 141038059 /nfs/dbraw/zinc/03/80/59/141038059.db2.gz OCWITYOQGKNKHN-KSSFIOAISA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246831134 141038061 /nfs/dbraw/zinc/03/80/61/141038061.db2.gz OCWITYOQGKNKHN-KSSFIOAISA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246831134 141038063 /nfs/dbraw/zinc/03/80/63/141038063.db2.gz OCWITYOQGKNKHN-KSSFIOAISA-N 2 2 345.443 3.052 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000344633076 144202139 /nfs/dbraw/zinc/20/21/39/144202139.db2.gz QSBVAVYWRILRAS-HIFRSBDPSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000344633076 144202141 /nfs/dbraw/zinc/20/21/41/144202141.db2.gz QSBVAVYWRILRAS-HIFRSBDPSA-N 2 2 329.400 3.427 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)o2)c(Cl)c1 ZINC000414841799 309104963 /nfs/dbraw/zinc/10/49/63/309104963.db2.gz HZLAZFINFUNAAF-LLVKDONJSA-N 2 2 335.791 3.350 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414871687 309106523 /nfs/dbraw/zinc/10/65/23/309106523.db2.gz VFYOBRLDZMMNIN-HNNXBMFYSA-N 2 2 345.374 3.368 20 5 EGBDLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000492222631 311227940 /nfs/dbraw/zinc/22/79/40/311227940.db2.gz FAFQXUJKKVUHGG-UHFFFAOYSA-N 2 2 334.445 3.138 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000347689313 456306749 /nfs/dbraw/zinc/30/67/49/456306749.db2.gz KVQHHGXXJFQAHU-UHFFFAOYSA-N 2 2 348.406 3.465 20 5 EGBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381922 458131046 /nfs/dbraw/zinc/13/10/46/458131046.db2.gz YQQBUZUJYNOARS-OCCSQVGLSA-N 2 2 346.456 3.278 20 5 EGBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381922 458131050 /nfs/dbraw/zinc/13/10/50/458131050.db2.gz YQQBUZUJYNOARS-OCCSQVGLSA-N 2 2 346.456 3.278 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430233176 458424973 /nfs/dbraw/zinc/42/49/73/458424973.db2.gz JSUUQWXBODPJCI-UHFFFAOYSA-N 2 2 346.431 3.275 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430233176 458424977 /nfs/dbraw/zinc/42/49/77/458424977.db2.gz JSUUQWXBODPJCI-UHFFFAOYSA-N 2 2 346.431 3.275 20 5 EGBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203032 458811208 /nfs/dbraw/zinc/81/12/08/458811208.db2.gz UOTNQQOPKSAIEV-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203032 458811214 /nfs/dbraw/zinc/81/12/14/458811214.db2.gz UOTNQQOPKSAIEV-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203032 458811220 /nfs/dbraw/zinc/81/12/20/458811220.db2.gz UOTNQQOPKSAIEV-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203032 458811222 /nfs/dbraw/zinc/81/12/22/458811222.db2.gz UOTNQQOPKSAIEV-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506481 459329076 /nfs/dbraw/zinc/32/90/76/459329076.db2.gz CYZLZSCVYGVEFU-LJQANCHMSA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506481 459329080 /nfs/dbraw/zinc/32/90/80/459329080.db2.gz CYZLZSCVYGVEFU-LJQANCHMSA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506481 459329085 /nfs/dbraw/zinc/32/90/85/459329085.db2.gz CYZLZSCVYGVEFU-LJQANCHMSA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506481 459329089 /nfs/dbraw/zinc/32/90/89/459329089.db2.gz CYZLZSCVYGVEFU-LJQANCHMSA-N 2 2 347.459 3.300 20 5 EGBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671785 460058008 /nfs/dbraw/zinc/05/80/08/460058008.db2.gz IKOJVKVZEZPYRG-HNNXBMFYSA-N 2 2 343.349 3.141 20 5 EGBDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671785 460058016 /nfs/dbraw/zinc/05/80/16/460058016.db2.gz IKOJVKVZEZPYRG-HNNXBMFYSA-N 2 2 343.349 3.141 20 5 EGBDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671785 460058021 /nfs/dbraw/zinc/05/80/21/460058021.db2.gz IKOJVKVZEZPYRG-HNNXBMFYSA-N 2 2 343.349 3.141 20 5 EGBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671785 460058025 /nfs/dbraw/zinc/05/80/25/460058025.db2.gz IKOJVKVZEZPYRG-HNNXBMFYSA-N 2 2 343.349 3.141 20 5 EGBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850495016 1322258040 /nfs/dbraw/zinc/25/80/40/1322258040.db2.gz VBBFTCAEOAPDMD-INIZCTEOSA-N 2 2 346.475 3.026 20 5 EGBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850495016 1322258044 /nfs/dbraw/zinc/25/80/44/1322258044.db2.gz VBBFTCAEOAPDMD-INIZCTEOSA-N 2 2 346.475 3.026 20 5 EGBDLP O[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001210400309 1372343157 /nfs/dbraw/zinc/34/31/57/1372343157.db2.gz TYQZEFYZDKPTQC-LJQANCHMSA-N 2 2 330.431 3.350 20 5 EGBDLP O[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001210400309 1372343159 /nfs/dbraw/zinc/34/31/59/1372343159.db2.gz TYQZEFYZDKPTQC-LJQANCHMSA-N 2 2 330.431 3.350 20 5 EGBDLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985031 1384079313 /nfs/dbraw/zinc/07/93/13/1384079313.db2.gz CEUGXWKMYRNYNX-MVJPYGJCSA-N 2 2 339.439 3.463 20 5 EGBDLP C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169010026 1384088511 /nfs/dbraw/zinc/08/85/11/1384088511.db2.gz AIISPEMYWOAUOT-IEBWSBKVSA-N 2 2 331.460 3.028 20 5 EGBDLP C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169010026 1384088515 /nfs/dbraw/zinc/08/85/15/1384088515.db2.gz AIISPEMYWOAUOT-IEBWSBKVSA-N 2 2 331.460 3.028 20 5 EGBDLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912433 1384876237 /nfs/dbraw/zinc/87/62/37/1384876237.db2.gz ZXKYXUSADMJRSA-QGZVFWFLSA-N 2 2 331.460 3.258 20 5 EGBDLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912433 1384876241 /nfs/dbraw/zinc/87/62/41/1384876241.db2.gz ZXKYXUSADMJRSA-QGZVFWFLSA-N 2 2 331.460 3.258 20 5 EGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001173221530 1384938343 /nfs/dbraw/zinc/93/83/43/1384938343.db2.gz JLJJRVOOAANTIO-HNNXBMFYSA-N 2 2 341.411 3.464 20 5 EGBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000126458875 162304771 /nfs/dbraw/zinc/30/47/71/162304771.db2.gz TVJOHOOEZLGJLQ-CYBMUJFWSA-N 2 2 337.383 3.335 20 5 EGBDLP COc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000119400832 275189983 /nfs/dbraw/zinc/18/99/83/275189983.db2.gz VLVUQJQMVIYVBH-UHFFFAOYSA-N 2 2 343.427 3.215 20 5 EGBDLP COc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000119400832 275189985 /nfs/dbraw/zinc/18/99/85/275189985.db2.gz VLVUQJQMVIYVBH-UHFFFAOYSA-N 2 2 343.427 3.215 20 5 EGBDLP [NH3+][C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000414891561 309107561 /nfs/dbraw/zinc/10/75/61/309107561.db2.gz OIWOKEYRTZPGLE-MRXNPFEDSA-N 2 2 345.374 3.353 20 5 EGBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415056968 309117046 /nfs/dbraw/zinc/11/70/46/309117046.db2.gz RMBVYEJIQGNVEZ-CQSZACIVSA-N 2 2 334.445 3.181 20 5 EGBDLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091487 309385423 /nfs/dbraw/zinc/38/54/23/309385423.db2.gz XFHHUJVWSFKHAS-KBPBESRZSA-N 2 2 331.338 3.363 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535576744 314053718 /nfs/dbraw/zinc/05/37/18/314053718.db2.gz RJHIPKJTKKNHMF-UHFFFAOYSA-N 2 2 342.399 3.075 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120929720 454366008 /nfs/dbraw/zinc/36/60/08/454366008.db2.gz BAFKSBRRVKFVBR-UHFFFAOYSA-N 2 2 335.448 3.392 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000271198953 456168195 /nfs/dbraw/zinc/16/81/95/456168195.db2.gz YUNSZXFXPHUKPC-UONOGXRCSA-N 2 2 334.445 3.340 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000276860837 456601757 /nfs/dbraw/zinc/60/17/57/456601757.db2.gz GGVNKSBYFSOHTB-KRWDZBQOSA-N 2 2 347.459 3.301 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000276860837 456601761 /nfs/dbraw/zinc/60/17/61/456601761.db2.gz GGVNKSBYFSOHTB-KRWDZBQOSA-N 2 2 347.459 3.301 20 5 EGBDLP Cc1cc(N[C@H](C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301109098 456799836 /nfs/dbraw/zinc/79/98/36/456799836.db2.gz MKMMVYSTUCGXCS-GFCCVEGCSA-N 2 2 329.404 3.112 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000345043590 456908204 /nfs/dbraw/zinc/90/82/04/456908204.db2.gz IXXBOIYSDXMWJV-RKCSUWQLSA-N 2 2 335.473 3.025 20 5 EGBDLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000332401377 457362394 /nfs/dbraw/zinc/36/23/94/457362394.db2.gz VPBXBPBSWHHROD-MRXNPFEDSA-N 2 2 340.427 3.490 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430220461 458424234 /nfs/dbraw/zinc/42/42/34/458424234.db2.gz QDPCSQIURGGXOU-HOCLYGCPSA-N 2 2 347.459 3.346 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000430220461 458424237 /nfs/dbraw/zinc/42/42/37/458424237.db2.gz QDPCSQIURGGXOU-HOCLYGCPSA-N 2 2 347.459 3.346 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471001114 458674432 /nfs/dbraw/zinc/67/44/32/458674432.db2.gz MHDKQRJZGZAYIG-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471001114 458674436 /nfs/dbraw/zinc/67/44/36/458674436.db2.gz MHDKQRJZGZAYIG-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471001114 458674441 /nfs/dbraw/zinc/67/44/41/458674441.db2.gz MHDKQRJZGZAYIG-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471001114 458674447 /nfs/dbraw/zinc/67/44/47/458674447.db2.gz MHDKQRJZGZAYIG-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436223 458676269 /nfs/dbraw/zinc/67/62/69/458676269.db2.gz PQTPQFXGGPTEEM-ZUZCIYMTSA-N 2 2 343.349 3.186 20 5 EGBDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436223 458676276 /nfs/dbraw/zinc/67/62/76/458676276.db2.gz PQTPQFXGGPTEEM-ZUZCIYMTSA-N 2 2 343.349 3.186 20 5 EGBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087708 458797342 /nfs/dbraw/zinc/79/73/42/458797342.db2.gz KXWMKZNMUWQWEB-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087708 458797348 /nfs/dbraw/zinc/79/73/48/458797348.db2.gz KXWMKZNMUWQWEB-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087708 458797351 /nfs/dbraw/zinc/79/73/51/458797351.db2.gz KXWMKZNMUWQWEB-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087708 458797358 /nfs/dbraw/zinc/79/73/58/458797358.db2.gz KXWMKZNMUWQWEB-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000591275683 459346283 /nfs/dbraw/zinc/34/62/83/459346283.db2.gz XWZTVKWQHKUULY-CYBMUJFWSA-N 2 2 345.399 3.095 20 5 EGBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719962 460004474 /nfs/dbraw/zinc/00/44/74/460004474.db2.gz OUPFVWVMXLOAOO-KSSFIOAISA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719962 460004478 /nfs/dbraw/zinc/00/44/78/460004478.db2.gz OUPFVWVMXLOAOO-KSSFIOAISA-N 2 2 327.384 3.168 20 5 EGBDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601164701 460737320 /nfs/dbraw/zinc/73/73/20/460737320.db2.gz FHZBPJCIDLZOEK-HIFRSBDPSA-N 2 2 326.400 3.206 20 5 EGBDLP C[NH+](C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169003127 1384085392 /nfs/dbraw/zinc/08/53/92/1384085392.db2.gz NSBRQTXQHIBYBF-QCCNOGHNSA-N 2 2 349.519 3.168 20 5 EGBDLP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170297559 1384285462 /nfs/dbraw/zinc/28/54/62/1384285462.db2.gz PJWOYFDIZZKTOH-HNNXBMFYSA-N 2 2 335.448 3.000 20 5 EGBDLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912432 1384875963 /nfs/dbraw/zinc/87/59/63/1384875963.db2.gz ZXKYXUSADMJRSA-KRWDZBQOSA-N 2 2 331.460 3.258 20 5 EGBDLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912432 1384875967 /nfs/dbraw/zinc/87/59/67/1384875967.db2.gz ZXKYXUSADMJRSA-KRWDZBQOSA-N 2 2 331.460 3.258 20 5 EGBDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232370 1384941244 /nfs/dbraw/zinc/94/12/44/1384941244.db2.gz AXHBWEUNVJAKPS-YJBOKZPZSA-N 2 2 341.411 3.383 20 5 EGBDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232370 1384941245 /nfs/dbraw/zinc/94/12/45/1384941245.db2.gz AXHBWEUNVJAKPS-YJBOKZPZSA-N 2 2 341.411 3.383 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000345043589 276823993 /nfs/dbraw/zinc/82/39/93/276823993.db2.gz IXXBOIYSDXMWJV-DZXKJOIRSA-N 2 2 335.473 3.025 20 5 EGBDLP CC(C)([NH3+])C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414803712 309102387 /nfs/dbraw/zinc/10/23/87/309102387.db2.gz MTQRPBNFLMZYTN-UHFFFAOYSA-N 2 2 333.363 3.353 20 5 EGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414959543 309111709 /nfs/dbraw/zinc/11/17/09/309111709.db2.gz SKILWAXNFPKGIG-BEFAXECRSA-N 2 2 339.439 3.393 20 5 EGBDLP Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420205014 309277141 /nfs/dbraw/zinc/27/71/41/309277141.db2.gz MNVCQIDKSZFGCC-INIZCTEOSA-N 2 2 343.431 3.170 20 5 EGBDLP Cc1ccc2[nH+]c(CNc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)cn2c1 ZINC000571715207 317235824 /nfs/dbraw/zinc/23/58/24/317235824.db2.gz JXNCGOURCTZJON-UHFFFAOYSA-N 2 2 347.378 3.442 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683441 454729360 /nfs/dbraw/zinc/72/93/60/454729360.db2.gz XFSDLNDYMANMIW-JKNJVXJCSA-N 2 2 329.444 3.416 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683441 454729364 /nfs/dbraw/zinc/72/93/64/454729364.db2.gz XFSDLNDYMANMIW-JKNJVXJCSA-N 2 2 329.444 3.416 20 5 EGBDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000277175819 456709916 /nfs/dbraw/zinc/70/99/16/456709916.db2.gz KXVKTUHCBPAOSP-MRXNPFEDSA-N 2 2 344.415 3.166 20 5 EGBDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000277175819 456709922 /nfs/dbraw/zinc/70/99/22/456709922.db2.gz KXVKTUHCBPAOSP-MRXNPFEDSA-N 2 2 344.415 3.166 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000360141141 457272050 /nfs/dbraw/zinc/27/20/50/457272050.db2.gz OFKZVRGCBCEYKS-CQSZACIVSA-N 2 2 344.415 3.166 20 5 EGBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423533229 458453421 /nfs/dbraw/zinc/45/34/21/458453421.db2.gz SQFOMKRDLMXGCX-JCGIZDLHSA-N 2 2 325.412 3.309 20 5 EGBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491057 458688142 /nfs/dbraw/zinc/68/81/42/458688142.db2.gz ZLPNKNZEFQTRQW-YGRLFVJLSA-N 2 2 331.338 3.043 20 5 EGBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491057 458688146 /nfs/dbraw/zinc/68/81/46/458688146.db2.gz ZLPNKNZEFQTRQW-YGRLFVJLSA-N 2 2 331.338 3.043 20 5 EGBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491051 458688324 /nfs/dbraw/zinc/68/83/24/458688324.db2.gz ZLPNKNZEFQTRQW-HZMBPMFUSA-N 2 2 331.338 3.043 20 5 EGBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491051 458688329 /nfs/dbraw/zinc/68/83/29/458688329.db2.gz ZLPNKNZEFQTRQW-HZMBPMFUSA-N 2 2 331.338 3.043 20 5 EGBDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899779 459329654 /nfs/dbraw/zinc/32/96/54/459329654.db2.gz KPYUGPHPYXQEIO-ROUUACIJSA-N 2 2 331.460 3.380 20 5 EGBDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899779 459329659 /nfs/dbraw/zinc/32/96/59/459329659.db2.gz KPYUGPHPYXQEIO-ROUUACIJSA-N 2 2 331.460 3.380 20 5 EGBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000583277790 459513578 /nfs/dbraw/zinc/51/35/78/459513578.db2.gz MGMNVMAVVOSFOC-LBPRGKRZSA-N 2 2 343.374 3.016 20 5 EGBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000583277790 459513579 /nfs/dbraw/zinc/51/35/79/459513579.db2.gz MGMNVMAVVOSFOC-LBPRGKRZSA-N 2 2 343.374 3.016 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471142 459608765 /nfs/dbraw/zinc/60/87/65/459608765.db2.gz AFSGVZRUOONPPA-UHFFFAOYSA-N 2 2 333.432 3.098 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471142 459608772 /nfs/dbraw/zinc/60/87/72/459608772.db2.gz AFSGVZRUOONPPA-UHFFFAOYSA-N 2 2 333.432 3.098 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000602511309 459976165 /nfs/dbraw/zinc/97/61/65/459976165.db2.gz PTBDNSWQIOLAJA-LLVKDONJSA-N 2 2 343.349 3.188 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000602511309 459976168 /nfs/dbraw/zinc/97/61/68/459976168.db2.gz PTBDNSWQIOLAJA-LLVKDONJSA-N 2 2 343.349 3.188 20 5 EGBDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602527944 459983298 /nfs/dbraw/zinc/98/32/98/459983298.db2.gz NMAXWDLXKRLTPD-GFCCVEGCSA-N 2 2 345.365 3.435 20 5 EGBDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602527944 459983301 /nfs/dbraw/zinc/98/33/01/459983301.db2.gz NMAXWDLXKRLTPD-GFCCVEGCSA-N 2 2 345.365 3.435 20 5 EGBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719964 460005202 /nfs/dbraw/zinc/00/52/02/460005202.db2.gz OUPFVWVMXLOAOO-RDTXWAMCSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719964 460005208 /nfs/dbraw/zinc/00/52/08/460005208.db2.gz OUPFVWVMXLOAOO-RDTXWAMCSA-N 2 2 327.384 3.168 20 5 EGBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921401 460016777 /nfs/dbraw/zinc/01/67/77/460016777.db2.gz XOVLDACFAHIQBW-DGCLKSJQSA-N 2 2 332.429 3.030 20 5 EGBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921401 460016785 /nfs/dbraw/zinc/01/67/85/460016785.db2.gz XOVLDACFAHIQBW-DGCLKSJQSA-N 2 2 332.429 3.030 20 5 EGBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921406 460017210 /nfs/dbraw/zinc/01/72/10/460017210.db2.gz XOVLDACFAHIQBW-WCQYABFASA-N 2 2 332.429 3.030 20 5 EGBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921406 460017215 /nfs/dbraw/zinc/01/72/15/460017215.db2.gz XOVLDACFAHIQBW-WCQYABFASA-N 2 2 332.429 3.030 20 5 EGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582667 460188461 /nfs/dbraw/zinc/18/84/61/460188461.db2.gz IZCCXGBPURSYLP-STQMWFEESA-N 2 2 332.404 3.041 20 5 EGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582667 460188467 /nfs/dbraw/zinc/18/84/67/460188467.db2.gz IZCCXGBPURSYLP-STQMWFEESA-N 2 2 332.404 3.041 20 5 EGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582667 460188469 /nfs/dbraw/zinc/18/84/69/460188469.db2.gz IZCCXGBPURSYLP-STQMWFEESA-N 2 2 332.404 3.041 20 5 EGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582667 460188475 /nfs/dbraw/zinc/18/84/75/460188475.db2.gz IZCCXGBPURSYLP-STQMWFEESA-N 2 2 332.404 3.041 20 5 EGBDLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892532985 1305428422 /nfs/dbraw/zinc/42/84/22/1305428422.db2.gz VMDQBLFMPUPQJP-UHFFFAOYSA-N 2 2 325.840 3.458 20 5 EGBDLP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170306400 1384287363 /nfs/dbraw/zinc/28/73/63/1384287363.db2.gz UOILWNUKQGQDNJ-HZPDHXFCSA-N 2 2 349.475 3.244 20 5 EGBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001318603065 1385788309 /nfs/dbraw/zinc/78/83/09/1385788309.db2.gz CCOFSAILBSXNEM-UHFFFAOYSA-N 2 2 337.339 3.045 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000067803662 202337445 /nfs/dbraw/zinc/33/74/45/202337445.db2.gz VZZAEGWZBDPIGO-UHFFFAOYSA-N 2 2 339.439 3.392 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349155597 156368784 /nfs/dbraw/zinc/36/87/84/156368784.db2.gz WBVXVLYRAKDHSO-HFQYIWAZSA-N 2 2 326.400 3.221 20 5 EGBDLP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000248615839 163021090 /nfs/dbraw/zinc/02/10/90/163021090.db2.gz IRGYVUZAIPJAFK-BLLLJJGKSA-N 2 2 348.378 3.022 20 5 EGBDLP COc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000248615839 163021091 /nfs/dbraw/zinc/02/10/91/163021091.db2.gz IRGYVUZAIPJAFK-BLLLJJGKSA-N 2 2 348.378 3.022 20 5 EGBDLP CC[NH+](CC)C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413167432 309019280 /nfs/dbraw/zinc/01/92/80/309019280.db2.gz KEENQVZAERDQIT-AWEZNQCLSA-N 2 2 328.416 3.311 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000417342323 309202312 /nfs/dbraw/zinc/20/23/12/309202312.db2.gz MMVACXRRAVBADU-WMLDXEAASA-N 2 2 326.400 3.163 20 5 EGBDLP C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000380041796 324243271 /nfs/dbraw/zinc/24/32/71/324243271.db2.gz SBIIBTROYVRIFR-KXBFYZLASA-N 2 2 325.412 3.347 20 5 EGBDLP C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000380041796 324243275 /nfs/dbraw/zinc/24/32/75/324243275.db2.gz SBIIBTROYVRIFR-KXBFYZLASA-N 2 2 325.412 3.347 20 5 EGBDLP CCc1cc(N[C@@H](C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000065945360 454641929 /nfs/dbraw/zinc/64/19/29/454641929.db2.gz CPMOGPWPVFPZHV-ZDUSSCGKSA-N 2 2 343.431 3.366 20 5 EGBDLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502878 458445156 /nfs/dbraw/zinc/44/51/56/458445156.db2.gz FJMVDCYDOLKRKY-GBESFXJTSA-N 2 2 325.412 3.391 20 5 EGBDLP Cc1cc(NCCc2[nH]c3ccccc3[nH+]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000577227344 459001911 /nfs/dbraw/zinc/00/19/11/459001911.db2.gz ZDYJPVXBUNAMNS-UHFFFAOYSA-N 2 2 347.378 3.404 20 5 EGBDLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956859 1384070317 /nfs/dbraw/zinc/07/03/17/1384070317.db2.gz CEUGXWKMYRNYNX-HUYLIWGRSA-N 2 2 339.439 3.463 20 5 EGBDLP COc1ccc(C[C@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170351454 1384297906 /nfs/dbraw/zinc/29/79/06/1384297906.db2.gz CJJXPVTYDVYASU-HNNXBMFYSA-N 2 2 349.475 3.339 20 5 EGBDLP COc1ccc(C[C@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170351454 1384297910 /nfs/dbraw/zinc/29/79/10/1384297910.db2.gz CJJXPVTYDVYASU-HNNXBMFYSA-N 2 2 349.475 3.339 20 5 EGBDLP COc1ccc(C[C@H](C)n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170353091 1384299568 /nfs/dbraw/zinc/29/95/68/1384299568.db2.gz VQRRDNRIVBPPLI-DZGCQCFKSA-N 2 2 344.415 3.071 20 5 EGBDLP C[NH2+]CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414821527 309103818 /nfs/dbraw/zinc/10/38/18/309103818.db2.gz FFDUWKWCVNXTLE-UHFFFAOYSA-N 2 2 335.791 3.350 20 5 EGBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414958207 309111442 /nfs/dbraw/zinc/11/14/42/309111442.db2.gz WJVCWLOHDZSKPO-MAUKXSAKSA-N 2 2 347.365 3.108 20 5 EGBDLP Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420205015 309277146 /nfs/dbraw/zinc/27/71/46/309277146.db2.gz MNVCQIDKSZFGCC-MRXNPFEDSA-N 2 2 343.431 3.170 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449063786 310034036 /nfs/dbraw/zinc/03/40/36/310034036.db2.gz NUPRNBNDIGYYLI-LPHOPBHVSA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449063786 310034037 /nfs/dbraw/zinc/03/40/37/310034037.db2.gz NUPRNBNDIGYYLI-LPHOPBHVSA-N 2 2 339.439 3.390 20 5 EGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449166082 310041658 /nfs/dbraw/zinc/04/16/58/310041658.db2.gz BSILXJUIGSJUHE-CJNGLKHVSA-N 2 2 328.416 3.198 20 5 EGBDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449348304 310055972 /nfs/dbraw/zinc/05/59/72/310055972.db2.gz LSLRPNGFXPMWMC-HNNXBMFYSA-N 2 2 340.427 3.305 20 5 EGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000564668839 316185465 /nfs/dbraw/zinc/18/54/65/316185465.db2.gz XFMXTOIFWAYVMN-INIZCTEOSA-N 2 2 326.400 3.459 20 5 EGBDLP C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000091959988 454495773 /nfs/dbraw/zinc/49/57/73/454495773.db2.gz QXCFVDDCZXEJEN-HBJANEJGSA-N 2 2 326.400 3.388 20 5 EGBDLP C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000091959988 454495777 /nfs/dbraw/zinc/49/57/77/454495777.db2.gz QXCFVDDCZXEJEN-HBJANEJGSA-N 2 2 326.400 3.388 20 5 EGBDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178647364 454966135 /nfs/dbraw/zinc/96/61/35/454966135.db2.gz QXBXJADPZVYKNC-OAHLLOKOSA-N 2 2 340.427 3.305 20 5 EGBDLP C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738101 455610964 /nfs/dbraw/zinc/61/09/64/455610964.db2.gz BXLABLSQRYHUNK-KGLIPLIRSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738101 455610970 /nfs/dbraw/zinc/61/09/70/455610970.db2.gz BXLABLSQRYHUNK-KGLIPLIRSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000255288371 455863377 /nfs/dbraw/zinc/86/33/77/455863377.db2.gz QXCFVDDCZXEJEN-MTWCHYJXSA-N 2 2 326.400 3.388 20 5 EGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000601104618 460712346 /nfs/dbraw/zinc/71/23/46/460712346.db2.gz BIQBJFPBEVQIED-HNNXBMFYSA-N 2 2 326.400 3.208 20 5 EGBDLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601133201 460725274 /nfs/dbraw/zinc/72/52/74/460725274.db2.gz WPILXZVZSLCKIK-UHFFFAOYSA-N 2 2 325.372 3.174 20 5 EGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926562 457105694 /nfs/dbraw/zinc/10/56/94/457105694.db2.gz IWBFBKFXQFNPID-JSGCOSHPSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926562 457105699 /nfs/dbraw/zinc/10/56/99/457105699.db2.gz IWBFBKFXQFNPID-JSGCOSHPSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926562 457105705 /nfs/dbraw/zinc/10/57/05/457105705.db2.gz IWBFBKFXQFNPID-JSGCOSHPSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926562 457105708 /nfs/dbraw/zinc/10/57/08/457105708.db2.gz IWBFBKFXQFNPID-JSGCOSHPSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064323 458924814 /nfs/dbraw/zinc/92/48/14/458924814.db2.gz YKBRRDUQAGBPTK-ZACQAIPSSA-N 2 2 349.479 3.129 20 5 EGBDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064323 458924818 /nfs/dbraw/zinc/92/48/18/458924818.db2.gz YKBRRDUQAGBPTK-ZACQAIPSSA-N 2 2 349.479 3.129 20 5 EGBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000520499958 459065164 /nfs/dbraw/zinc/06/51/64/459065164.db2.gz UAUICFHBATYIID-WCXIOVBPSA-N 2 2 349.479 3.128 20 5 EGBDLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@H+]1CCCC[C@H]1C ZINC000520499958 459065170 /nfs/dbraw/zinc/06/51/70/459065170.db2.gz UAUICFHBATYIID-WCXIOVBPSA-N 2 2 349.479 3.128 20 5 EGBDLP CC(C)C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000480532788 459203451 /nfs/dbraw/zinc/20/34/51/459203451.db2.gz ADVBLGVCEPYMMG-ZWKOTPCHSA-N 2 2 333.476 3.482 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560092298 459300507 /nfs/dbraw/zinc/30/05/07/459300507.db2.gz NNBJIXGFUYBTSM-ZROIWOOFSA-N 2 2 326.400 3.321 20 5 EGBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000596104571 459522527 /nfs/dbraw/zinc/52/25/27/459522527.db2.gz GHHDSNNIPJKVRC-CQSZACIVSA-N 2 2 328.416 3.060 20 5 EGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582664 460188565 /nfs/dbraw/zinc/18/85/65/460188565.db2.gz IZCCXGBPURSYLP-CHWSQXEVSA-N 2 2 332.404 3.041 20 5 EGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582664 460188566 /nfs/dbraw/zinc/18/85/66/460188566.db2.gz IZCCXGBPURSYLP-CHWSQXEVSA-N 2 2 332.404 3.041 20 5 EGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582664 460188567 /nfs/dbraw/zinc/18/85/67/460188567.db2.gz IZCCXGBPURSYLP-CHWSQXEVSA-N 2 2 332.404 3.041 20 5 EGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582664 460188568 /nfs/dbraw/zinc/18/85/68/460188568.db2.gz IZCCXGBPURSYLP-CHWSQXEVSA-N 2 2 332.404 3.041 20 5 EGBDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563425 1305971873 /nfs/dbraw/zinc/97/18/73/1305971873.db2.gz POMCXXYRLCACLZ-ZDUSSCGKSA-N 2 2 337.383 3.214 20 5 EGBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)C1([NH3+])CC1 ZINC001219207295 1373694102 /nfs/dbraw/zinc/69/41/02/1373694102.db2.gz FHTCYEPDIRUFAW-UHFFFAOYSA-N 2 2 334.423 3.192 20 5 EGBDLP CC1CC[NH+](CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896232 1384873803 /nfs/dbraw/zinc/87/38/03/1384873803.db2.gz NKZHSOXQBXAHQV-SFHVURJKSA-N 2 2 331.460 3.164 20 5 EGBDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346213660 141181823 /nfs/dbraw/zinc/18/18/23/141181823.db2.gz YOLZOFQUGZCRJE-UHFFFAOYSA-N 2 2 349.394 3.042 20 5 EGBDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346213660 141181824 /nfs/dbraw/zinc/18/18/24/141181824.db2.gz YOLZOFQUGZCRJE-UHFFFAOYSA-N 2 2 349.394 3.042 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000344815493 144227616 /nfs/dbraw/zinc/22/76/16/144227616.db2.gz BPOFNLVTGWYNBA-ANYHLBQASA-N 2 2 347.459 3.087 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000344815493 144227617 /nfs/dbraw/zinc/22/76/17/144227617.db2.gz BPOFNLVTGWYNBA-ANYHLBQASA-N 2 2 347.459 3.087 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000279616038 275344236 /nfs/dbraw/zinc/34/42/36/275344236.db2.gz XTVOJSBKMPCBPV-MFKMUULPSA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000279616038 275344237 /nfs/dbraw/zinc/34/42/37/275344237.db2.gz XTVOJSBKMPCBPV-MFKMUULPSA-N 2 2 331.338 3.186 20 5 EGBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414973450 309112410 /nfs/dbraw/zinc/11/24/10/309112410.db2.gz CCLYGVCABPIGPF-CQSZACIVSA-N 2 2 333.363 3.353 20 5 EGBDLP C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000415128457 309122427 /nfs/dbraw/zinc/12/24/27/309122427.db2.gz NYJWRSWRLIKHQU-JSGCOSHPSA-N 2 2 346.456 3.135 20 5 EGBDLP C[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000415128457 309122428 /nfs/dbraw/zinc/12/24/28/309122428.db2.gz NYJWRSWRLIKHQU-JSGCOSHPSA-N 2 2 346.456 3.135 20 5 EGBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423365741 309397231 /nfs/dbraw/zinc/39/72/31/309397231.db2.gz POPQULUUHXLUNA-MJGOQNOKSA-N 2 2 325.412 3.416 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000449254229 310047818 /nfs/dbraw/zinc/04/78/18/310047818.db2.gz WUUPJXVSVIJITR-HNAYVOBHSA-N 2 2 327.428 3.418 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000492788992 311291269 /nfs/dbraw/zinc/29/12/69/311291269.db2.gz JYHDEACSTBKDIU-INIZCTEOSA-N 2 2 343.383 3.042 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000492788992 311291270 /nfs/dbraw/zinc/29/12/70/311291270.db2.gz JYHDEACSTBKDIU-INIZCTEOSA-N 2 2 343.383 3.042 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000514837217 312248089 /nfs/dbraw/zinc/24/80/89/312248089.db2.gz OAAAQAHFBNMFPQ-HOTGVXAUSA-N 2 2 347.459 3.149 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000514837217 312248090 /nfs/dbraw/zinc/24/80/90/312248090.db2.gz OAAAQAHFBNMFPQ-HOTGVXAUSA-N 2 2 347.459 3.149 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119576706 454205105 /nfs/dbraw/zinc/20/51/05/454205105.db2.gz UWBGKSTWQWVFAM-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119576706 454205107 /nfs/dbraw/zinc/20/51/07/454205107.db2.gz UWBGKSTWQWVFAM-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908299 454232098 /nfs/dbraw/zinc/23/20/98/454232098.db2.gz MXESYTRGEMHYGI-CQSZACIVSA-N 2 2 344.415 3.023 20 5 EGBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908299 454232103 /nfs/dbraw/zinc/23/21/03/454232103.db2.gz MXESYTRGEMHYGI-CQSZACIVSA-N 2 2 344.415 3.023 20 5 EGBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908299 454232107 /nfs/dbraw/zinc/23/21/07/454232107.db2.gz MXESYTRGEMHYGI-CQSZACIVSA-N 2 2 344.415 3.023 20 5 EGBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908299 454232109 /nfs/dbraw/zinc/23/21/09/454232109.db2.gz MXESYTRGEMHYGI-CQSZACIVSA-N 2 2 344.415 3.023 20 5 EGBDLP Cc1c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000123642848 454660727 /nfs/dbraw/zinc/66/07/27/454660727.db2.gz XULCJBUUCAIJRL-HNNXBMFYSA-N 2 2 328.416 3.091 20 5 EGBDLP Cc1c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000123642848 454660732 /nfs/dbraw/zinc/66/07/32/454660732.db2.gz XULCJBUUCAIJRL-HNNXBMFYSA-N 2 2 328.416 3.091 20 5 EGBDLP CC[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCC1 ZINC000151660501 455013778 /nfs/dbraw/zinc/01/37/78/455013778.db2.gz FEWOMJXJFKKKIL-ROUUACIJSA-N 2 2 331.460 3.380 20 5 EGBDLP C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cn1cc[nH+]c1 ZINC000171051840 455021746 /nfs/dbraw/zinc/02/17/46/455021746.db2.gz HAMXRDLHXXTGLD-CQSZACIVSA-N 2 2 340.383 3.477 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674841 455593410 /nfs/dbraw/zinc/59/34/10/455593410.db2.gz JRAODSGCPIJFKM-GJZGRUSLSA-N 2 2 347.459 3.346 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674841 455593413 /nfs/dbraw/zinc/59/34/13/455593413.db2.gz JRAODSGCPIJFKM-GJZGRUSLSA-N 2 2 347.459 3.346 20 5 EGBDLP C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000601130581 460722079 /nfs/dbraw/zinc/72/20/79/460722079.db2.gz WRGBPEMCXLUSOH-SCLBCKFNSA-N 2 2 337.383 3.427 20 5 EGBDLP Cc1c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000353580893 456778701 /nfs/dbraw/zinc/77/87/01/456778701.db2.gz ZMFVVJDIEOLPAG-UHFFFAOYSA-N 2 2 331.416 3.450 20 5 EGBDLP Cc1c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000353580893 456778705 /nfs/dbraw/zinc/77/87/05/456778705.db2.gz ZMFVVJDIEOLPAG-UHFFFAOYSA-N 2 2 331.416 3.450 20 5 EGBDLP Cc1c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000353580893 456778713 /nfs/dbraw/zinc/77/87/13/456778713.db2.gz ZMFVVJDIEOLPAG-UHFFFAOYSA-N 2 2 331.416 3.450 20 5 EGBDLP Cc1c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000353580893 456778720 /nfs/dbraw/zinc/77/87/20/456778720.db2.gz ZMFVVJDIEOLPAG-UHFFFAOYSA-N 2 2 331.416 3.450 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000595009491 459214437 /nfs/dbraw/zinc/21/44/37/459214437.db2.gz ZNZSFXGWQWQHEL-AWEZNQCLSA-N 2 2 335.448 3.374 20 5 EGBDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000544352606 459750668 /nfs/dbraw/zinc/75/06/68/459750668.db2.gz IACNDCZLICDEKY-UHFFFAOYSA-N 2 2 349.394 3.042 20 5 EGBDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000544352606 459750673 /nfs/dbraw/zinc/75/06/73/459750673.db2.gz IACNDCZLICDEKY-UHFFFAOYSA-N 2 2 349.394 3.042 20 5 EGBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598994797 460121768 /nfs/dbraw/zinc/12/17/68/460121768.db2.gz SBHDWELMCVPCGV-LBPRGKRZSA-N 2 2 343.374 3.018 20 5 EGBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598994797 460121777 /nfs/dbraw/zinc/12/17/77/460121777.db2.gz SBHDWELMCVPCGV-LBPRGKRZSA-N 2 2 343.374 3.018 20 5 EGBDLP C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611585359 460409645 /nfs/dbraw/zinc/40/96/45/460409645.db2.gz CUQIHLPVMFQNJO-KGLIPLIRSA-N 2 2 333.432 3.043 20 5 EGBDLP C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611585359 460409649 /nfs/dbraw/zinc/40/96/49/460409649.db2.gz CUQIHLPVMFQNJO-KGLIPLIRSA-N 2 2 333.432 3.043 20 5 EGBDLP C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCCC1 ZINC000765256590 1302231690 /nfs/dbraw/zinc/23/16/90/1302231690.db2.gz UQIBRQYGXNBMMY-QAPCUYQASA-N 2 2 331.460 3.380 20 5 EGBDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990717 1384080429 /nfs/dbraw/zinc/08/04/29/1384080429.db2.gz DRCWPYLLIRDZTI-KXBFYZLASA-N 2 2 349.450 3.134 20 5 EGBDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232365 1384941668 /nfs/dbraw/zinc/94/16/68/1384941668.db2.gz AXHBWEUNVJAKPS-QAPCUYQASA-N 2 2 341.411 3.383 20 5 EGBDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232365 1384941669 /nfs/dbraw/zinc/94/16/69/1384941669.db2.gz AXHBWEUNVJAKPS-QAPCUYQASA-N 2 2 341.411 3.383 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129567308 205201256 /nfs/dbraw/zinc/20/12/56/205201256.db2.gz JWRPICUVZNOMMD-RHSMWYFYSA-N 2 2 344.415 3.273 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129567308 205201261 /nfs/dbraw/zinc/20/12/61/205201261.db2.gz JWRPICUVZNOMMD-RHSMWYFYSA-N 2 2 344.415 3.273 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000276898963 275253884 /nfs/dbraw/zinc/25/38/84/275253884.db2.gz LJDVGZPAWZJEQS-PBHICJAKSA-N 2 2 344.415 3.273 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000276898963 275253885 /nfs/dbraw/zinc/25/38/85/275253885.db2.gz LJDVGZPAWZJEQS-PBHICJAKSA-N 2 2 344.415 3.273 20 5 EGBDLP C[NH+]1CCC([C@@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413208480 309021564 /nfs/dbraw/zinc/02/15/64/309021564.db2.gz STCXKZWLUFOWFF-MRXNPFEDSA-N 2 2 340.427 3.311 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134936539 454612093 /nfs/dbraw/zinc/61/20/93/454612093.db2.gz YZQHMXINYVPCGE-KDOFPFPSSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134936539 454612099 /nfs/dbraw/zinc/61/20/99/454612099.db2.gz YZQHMXINYVPCGE-KDOFPFPSSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000134936539 454612105 /nfs/dbraw/zinc/61/21/05/454612105.db2.gz YZQHMXINYVPCGE-KDOFPFPSSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000134936539 454612112 /nfs/dbraw/zinc/61/21/12/454612112.db2.gz YZQHMXINYVPCGE-KDOFPFPSSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509708 455503529 /nfs/dbraw/zinc/50/35/29/455503529.db2.gz IDXFKWKLMBJHQQ-SUMWQHHRSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509708 455503533 /nfs/dbraw/zinc/50/35/33/455503533.db2.gz IDXFKWKLMBJHQQ-SUMWQHHRSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509708 455503537 /nfs/dbraw/zinc/50/35/37/455503537.db2.gz IDXFKWKLMBJHQQ-SUMWQHHRSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246509708 455503540 /nfs/dbraw/zinc/50/35/40/455503540.db2.gz IDXFKWKLMBJHQQ-SUMWQHHRSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000601104620 460712617 /nfs/dbraw/zinc/71/26/17/460712617.db2.gz BIQBJFPBEVQIED-OAHLLOKOSA-N 2 2 326.400 3.208 20 5 EGBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000338355456 456783825 /nfs/dbraw/zinc/78/38/25/456783825.db2.gz WVJIVTBGMYUBKX-UHFFFAOYSA-N 2 2 336.395 3.455 20 5 EGBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000338355456 456783831 /nfs/dbraw/zinc/78/38/31/456783831.db2.gz WVJIVTBGMYUBKX-UHFFFAOYSA-N 2 2 336.395 3.455 20 5 EGBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087710 458796765 /nfs/dbraw/zinc/79/67/65/458796765.db2.gz KXWMKZNMUWQWEB-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087710 458796769 /nfs/dbraw/zinc/79/67/69/458796769.db2.gz KXWMKZNMUWQWEB-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087710 458796775 /nfs/dbraw/zinc/79/67/75/458796775.db2.gz KXWMKZNMUWQWEB-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087710 458796779 /nfs/dbraw/zinc/79/67/79/458796779.db2.gz KXWMKZNMUWQWEB-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000595015466 459216807 /nfs/dbraw/zinc/21/68/07/459216807.db2.gz NSYKRWGXTHBRNL-CYBMUJFWSA-N 2 2 333.432 3.271 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509995 459330322 /nfs/dbraw/zinc/33/03/22/459330322.db2.gz ISIZMLXBTTUDBM-UHFFFAOYSA-N 2 2 325.412 3.349 20 5 EGBDLP C[N@H+](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000569868433 459523671 /nfs/dbraw/zinc/52/36/71/459523671.db2.gz YEJDOCFDCOTQFR-GOSISDBHSA-N 2 2 325.412 3.304 20 5 EGBDLP C[N@@H+](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000569868433 459523677 /nfs/dbraw/zinc/52/36/77/459523677.db2.gz YEJDOCFDCOTQFR-GOSISDBHSA-N 2 2 325.412 3.304 20 5 EGBDLP CC[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000592427767 459598949 /nfs/dbraw/zinc/59/89/49/459598949.db2.gz ZPVAIOXJHSZGAC-WBMJQRKESA-N 2 2 346.456 3.278 20 5 EGBDLP CC[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000592427767 459598953 /nfs/dbraw/zinc/59/89/53/459598953.db2.gz ZPVAIOXJHSZGAC-WBMJQRKESA-N 2 2 346.456 3.278 20 5 EGBDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602515470 459978209 /nfs/dbraw/zinc/97/82/09/459978209.db2.gz WALNIIBDOGWWEU-OKILXGFUSA-N 2 2 346.431 3.194 20 5 EGBDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602515470 459978215 /nfs/dbraw/zinc/97/82/15/459978215.db2.gz WALNIIBDOGWWEU-OKILXGFUSA-N 2 2 346.431 3.194 20 5 EGBDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169043809 1384099078 /nfs/dbraw/zinc/09/90/78/1384099078.db2.gz HUWBZRZXYOVAMU-MAUKXSAKSA-N 2 2 349.450 3.167 20 5 EGBDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169043809 1384099080 /nfs/dbraw/zinc/09/90/80/1384099080.db2.gz HUWBZRZXYOVAMU-MAUKXSAKSA-N 2 2 349.450 3.167 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000344633080 144202438 /nfs/dbraw/zinc/20/24/38/144202438.db2.gz QSBVAVYWRILRAS-ZFWWWQNUSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000344633080 144202439 /nfs/dbraw/zinc/20/24/39/144202439.db2.gz QSBVAVYWRILRAS-ZFWWWQNUSA-N 2 2 329.400 3.427 20 5 EGBDLP CCN(CCC[NH+](C)C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344793318 144225770 /nfs/dbraw/zinc/22/57/70/144225770.db2.gz WPMIXCMIWIYMAI-UHFFFAOYSA-N 2 2 343.431 3.138 20 5 EGBDLP O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000119382303 152200143 /nfs/dbraw/zinc/20/01/43/152200143.db2.gz QWBNCFAHAWTDPI-ZDUSSCGKSA-N 2 2 333.775 3.297 20 5 EGBDLP O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000119382303 152200145 /nfs/dbraw/zinc/20/01/45/152200145.db2.gz QWBNCFAHAWTDPI-ZDUSSCGKSA-N 2 2 333.775 3.297 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000366637494 168126037 /nfs/dbraw/zinc/12/60/37/168126037.db2.gz QYNPIPZUWLBRGO-INIZCTEOSA-N 2 2 333.432 3.054 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000366637494 168126040 /nfs/dbraw/zinc/12/60/40/168126040.db2.gz QYNPIPZUWLBRGO-INIZCTEOSA-N 2 2 333.432 3.054 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)o2)c(Cl)c1 ZINC000414841803 309105083 /nfs/dbraw/zinc/10/50/83/309105083.db2.gz HZLAZFINFUNAAF-NSHDSACASA-N 2 2 335.791 3.350 20 5 EGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000415064771 309117980 /nfs/dbraw/zinc/11/79/80/309117980.db2.gz LPYWHHDLCRXIMC-MRXNPFEDSA-N 2 2 329.400 3.462 20 5 EGBDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449151638 310040719 /nfs/dbraw/zinc/04/07/19/310040719.db2.gz AZNZMEZGMIYUDP-HNNXBMFYSA-N 2 2 349.475 3.005 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000449254230 310047717 /nfs/dbraw/zinc/04/77/17/310047717.db2.gz WUUPJXVSVIJITR-KXBFYZLASA-N 2 2 327.428 3.418 20 5 EGBDLP C[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000601130580 460722371 /nfs/dbraw/zinc/72/23/71/460722371.db2.gz WRGBPEMCXLUSOH-FZKQIMNGSA-N 2 2 337.383 3.427 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000283311503 456756349 /nfs/dbraw/zinc/75/63/49/456756349.db2.gz ZAOMKWDAQBHOGE-PBHICJAKSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000283311503 456756357 /nfs/dbraw/zinc/75/63/57/456756357.db2.gz ZAOMKWDAQBHOGE-PBHICJAKSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000283311503 456756364 /nfs/dbraw/zinc/75/63/64/456756364.db2.gz ZAOMKWDAQBHOGE-PBHICJAKSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000283311503 456756374 /nfs/dbraw/zinc/75/63/74/456756374.db2.gz ZAOMKWDAQBHOGE-PBHICJAKSA-N 2 2 333.407 3.183 20 5 EGBDLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356522692 457033931 /nfs/dbraw/zinc/03/39/31/457033931.db2.gz LSGJDOLMGWBKAD-UHFFFAOYSA-N 2 2 327.384 3.125 20 5 EGBDLP Cc1cc[nH+]cc1CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356522692 457033937 /nfs/dbraw/zinc/03/39/37/457033937.db2.gz LSGJDOLMGWBKAD-UHFFFAOYSA-N 2 2 327.384 3.125 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361089898 457576576 /nfs/dbraw/zinc/57/65/76/457576576.db2.gz YULUFCWZAZHKSL-UHFFFAOYSA-N 2 2 328.416 3.484 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)o2)c(Cl)c1 ZINC000435375717 458125027 /nfs/dbraw/zinc/12/50/27/458125027.db2.gz NWOWZMHUZPIIJD-UHFFFAOYSA-N 2 2 335.791 3.304 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)o2)c(Cl)c1 ZINC000435375717 458125034 /nfs/dbraw/zinc/12/50/34/458125034.db2.gz NWOWZMHUZPIIJD-UHFFFAOYSA-N 2 2 335.791 3.304 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373113177 458400490 /nfs/dbraw/zinc/40/04/90/458400490.db2.gz SGKMQKLTVWTGEY-AWEZNQCLSA-N 2 2 344.415 3.107 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373113177 458400493 /nfs/dbraw/zinc/40/04/93/458400493.db2.gz SGKMQKLTVWTGEY-AWEZNQCLSA-N 2 2 344.415 3.107 20 5 EGBDLP Cc1cccn2cc(CC[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])[nH+]c12 ZINC000594496903 459061904 /nfs/dbraw/zinc/06/19/04/459061904.db2.gz ZPHNYZCQVRRFKF-KRWDZBQOSA-N 2 2 336.395 3.371 20 5 EGBDLP CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154856062 528213284 /nfs/dbraw/zinc/21/32/84/528213284.db2.gz VPLYAYWVNSKDPL-SFHVURJKSA-N 2 2 335.448 3.136 20 5 EGBDLP Cc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001155052366 1380399292 /nfs/dbraw/zinc/39/92/92/1380399292.db2.gz BFGIOSATZOUESU-UHFFFAOYSA-N 2 2 337.383 3.104 20 5 EGBDLP C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169010028 1384088922 /nfs/dbraw/zinc/08/89/22/1384088922.db2.gz AIISPEMYWOAUOT-MJGOQNOKSA-N 2 2 331.460 3.028 20 5 EGBDLP C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169010028 1384088926 /nfs/dbraw/zinc/08/89/26/1384088926.db2.gz AIISPEMYWOAUOT-MJGOQNOKSA-N 2 2 331.460 3.028 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001172903822 1384874805 /nfs/dbraw/zinc/87/48/05/1384874805.db2.gz JMYBYVWOPHKEDB-IRXDYDNUSA-N 2 2 329.444 3.059 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001172903822 1384874810 /nfs/dbraw/zinc/87/48/10/1384874810.db2.gz JMYBYVWOPHKEDB-IRXDYDNUSA-N 2 2 329.444 3.059 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000237424478 141002318 /nfs/dbraw/zinc/00/23/18/141002318.db2.gz OXLVQCGPFHMSDD-UHFFFAOYSA-N 2 2 345.399 3.047 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000344815496 144227421 /nfs/dbraw/zinc/22/74/21/144227421.db2.gz BPOFNLVTGWYNBA-JOQXAKKRSA-N 2 2 347.459 3.087 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000344815496 144227423 /nfs/dbraw/zinc/22/74/23/144227423.db2.gz BPOFNLVTGWYNBA-JOQXAKKRSA-N 2 2 347.459 3.087 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000131257884 162395913 /nfs/dbraw/zinc/39/59/13/162395913.db2.gz QPXIBGCMGRMTAT-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000131257884 162395918 /nfs/dbraw/zinc/39/59/18/162395918.db2.gz QPXIBGCMGRMTAT-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000192937530 265998017 /nfs/dbraw/zinc/99/80/17/265998017.db2.gz WIZBFBHCOAENET-KRWDZBQOSA-N 2 2 326.400 3.459 20 5 EGBDLP COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414653275 309093722 /nfs/dbraw/zinc/09/37/22/309093722.db2.gz HVAPIVOIGQSUSY-ZDUSSCGKSA-N 2 2 345.399 3.177 20 5 EGBDLP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414653275 309093723 /nfs/dbraw/zinc/09/37/23/309093723.db2.gz HVAPIVOIGQSUSY-ZDUSSCGKSA-N 2 2 345.399 3.177 20 5 EGBDLP Cc1cc(NCC(C)(C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301107906 308688541 /nfs/dbraw/zinc/68/85/41/308688541.db2.gz MGIRRWRRHJHIMA-UHFFFAOYSA-N 2 2 329.404 3.112 20 5 EGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414959544 309111603 /nfs/dbraw/zinc/11/16/03/309111603.db2.gz SKILWAXNFPKGIG-DNVCBOLYSA-N 2 2 339.439 3.393 20 5 EGBDLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000415072021 309118249 /nfs/dbraw/zinc/11/82/49/309118249.db2.gz XJYNEBOYQOUGJV-INIZCTEOSA-N 2 2 346.456 3.325 20 5 EGBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310291 309201244 /nfs/dbraw/zinc/20/12/44/309201244.db2.gz LATYINBAHCGQAF-BEFAXECRSA-N 2 2 347.459 3.063 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420311734 309281245 /nfs/dbraw/zinc/28/12/45/309281245.db2.gz HPGLXKRXMGFPBJ-ZOCIIQOWSA-N 2 2 325.412 3.391 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420311734 309281246 /nfs/dbraw/zinc/28/12/46/309281246.db2.gz HPGLXKRXMGFPBJ-ZOCIIQOWSA-N 2 2 325.412 3.391 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000449088666 310036197 /nfs/dbraw/zinc/03/61/97/310036197.db2.gz BPIUGDQCEQSLNL-INIZCTEOSA-N 2 2 327.428 3.247 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000449088666 310036198 /nfs/dbraw/zinc/03/61/98/310036198.db2.gz BPIUGDQCEQSLNL-INIZCTEOSA-N 2 2 327.428 3.247 20 5 EGBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908298 454232431 /nfs/dbraw/zinc/23/24/31/454232431.db2.gz MXESYTRGEMHYGI-AWEZNQCLSA-N 2 2 344.415 3.023 20 5 EGBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908298 454232435 /nfs/dbraw/zinc/23/24/35/454232435.db2.gz MXESYTRGEMHYGI-AWEZNQCLSA-N 2 2 344.415 3.023 20 5 EGBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908298 454232436 /nfs/dbraw/zinc/23/24/36/454232436.db2.gz MXESYTRGEMHYGI-AWEZNQCLSA-N 2 2 344.415 3.023 20 5 EGBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908298 454232438 /nfs/dbraw/zinc/23/24/38/454232438.db2.gz MXESYTRGEMHYGI-AWEZNQCLSA-N 2 2 344.415 3.023 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000246861589 455531396 /nfs/dbraw/zinc/53/13/96/455531396.db2.gz CMYQWAHTNSWSIP-MZMPZRCHSA-N 2 2 329.444 3.131 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@H+]1C1CC1 ZINC000246861589 455531400 /nfs/dbraw/zinc/53/14/00/455531400.db2.gz CMYQWAHTNSWSIP-MZMPZRCHSA-N 2 2 329.444 3.131 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cs1 ZINC000343150378 456436520 /nfs/dbraw/zinc/43/65/20/456436520.db2.gz DSEJMGYDGSJJIJ-UHFFFAOYSA-N 2 2 328.397 3.191 20 5 EGBDLP C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)C[NH3+] ZINC000435374124 458125354 /nfs/dbraw/zinc/12/53/54/458125354.db2.gz WJNYPOJNWOIXEX-UHFFFAOYSA-N 2 2 334.445 3.135 20 5 EGBDLP C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)C[NH3+] ZINC000435374124 458125360 /nfs/dbraw/zinc/12/53/60/458125360.db2.gz WJNYPOJNWOIXEX-UHFFFAOYSA-N 2 2 334.445 3.135 20 5 EGBDLP Cc1c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000423506515 458446037 /nfs/dbraw/zinc/44/60/37/458446037.db2.gz HXVYKDMFIUZQIN-FHLIZLRMSA-N 2 2 325.412 3.309 20 5 EGBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087711 458796727 /nfs/dbraw/zinc/79/67/27/458796727.db2.gz KXWMKZNMUWQWEB-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087711 458796732 /nfs/dbraw/zinc/79/67/32/458796732.db2.gz KXWMKZNMUWQWEB-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087711 458796735 /nfs/dbraw/zinc/79/67/35/458796735.db2.gz KXWMKZNMUWQWEB-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087711 458796740 /nfs/dbraw/zinc/79/67/40/458796740.db2.gz KXWMKZNMUWQWEB-RDTXWAMCSA-N 2 2 341.411 3.381 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560092297 459300478 /nfs/dbraw/zinc/30/04/78/459300478.db2.gz NNBJIXGFUYBTSM-NTEUORMPSA-N 2 2 326.400 3.321 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000596058116 459504259 /nfs/dbraw/zinc/50/42/59/459504259.db2.gz CULRNOHZFGEEQU-CQSZACIVSA-N 2 2 337.851 3.460 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000596058116 459504265 /nfs/dbraw/zinc/50/42/65/459504265.db2.gz CULRNOHZFGEEQU-CQSZACIVSA-N 2 2 337.851 3.460 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718689 459836842 /nfs/dbraw/zinc/83/68/42/459836842.db2.gz SYODIWYHFWZRAZ-IRXDYDNUSA-N 2 2 347.459 3.151 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718689 459836846 /nfs/dbraw/zinc/83/68/46/459836846.db2.gz SYODIWYHFWZRAZ-IRXDYDNUSA-N 2 2 347.459 3.151 20 5 EGBDLP CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154856160 529003413 /nfs/dbraw/zinc/00/34/13/529003413.db2.gz VPLYAYWVNSKDPL-GOSISDBHSA-N 2 2 335.448 3.136 20 5 EGBDLP Cc1[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)[nH+]c1C ZINC000886665851 1303544959 /nfs/dbraw/zinc/54/49/59/1303544959.db2.gz IBGNHTALXLGVQY-UHFFFAOYSA-N 2 2 332.379 3.453 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000895479693 1309360947 /nfs/dbraw/zinc/36/09/47/1309360947.db2.gz SMSRCNKWLCPKRV-AWEZNQCLSA-N 2 2 337.851 3.460 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479693 1309360955 /nfs/dbraw/zinc/36/09/55/1309360955.db2.gz SMSRCNKWLCPKRV-AWEZNQCLSA-N 2 2 337.851 3.460 20 5 EGBDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850495017 1322257765 /nfs/dbraw/zinc/25/77/65/1322257765.db2.gz VBBFTCAEOAPDMD-MRXNPFEDSA-N 2 2 346.475 3.026 20 5 EGBDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850495017 1322257768 /nfs/dbraw/zinc/25/77/68/1322257768.db2.gz VBBFTCAEOAPDMD-MRXNPFEDSA-N 2 2 346.475 3.026 20 5 EGBDLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000865731170 1329733728 /nfs/dbraw/zinc/73/37/28/1329733728.db2.gz FBQITJLBUBVABH-CYBMUJFWSA-N 2 2 337.383 3.261 20 5 EGBDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264937946 247063707 /nfs/dbraw/zinc/06/37/07/247063707.db2.gz DXZNPGGUSRLXTN-GFCCVEGCSA-N 2 2 334.445 3.148 20 5 EGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246572559 141016052 /nfs/dbraw/zinc/01/60/52/141016052.db2.gz BXOAWVKUPJIYSO-CABCVRRESA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246572559 141016053 /nfs/dbraw/zinc/01/60/53/141016053.db2.gz BXOAWVKUPJIYSO-CABCVRRESA-N 2 2 328.416 3.344 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175253394 144061164 /nfs/dbraw/zinc/06/11/64/144061164.db2.gz UUPJQSSZKWRWPY-KRWDZBQOSA-N 2 2 347.459 3.444 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175253394 144061165 /nfs/dbraw/zinc/06/11/65/144061165.db2.gz UUPJQSSZKWRWPY-KRWDZBQOSA-N 2 2 347.459 3.444 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000276898972 275253892 /nfs/dbraw/zinc/25/38/92/275253892.db2.gz LJDVGZPAWZJEQS-YOEHRIQHSA-N 2 2 344.415 3.273 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000276898972 275253893 /nfs/dbraw/zinc/25/38/93/275253893.db2.gz LJDVGZPAWZJEQS-YOEHRIQHSA-N 2 2 344.415 3.273 20 5 EGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000415066324 309117827 /nfs/dbraw/zinc/11/78/27/309117827.db2.gz OJJWNRBDNSZZDH-KRWDZBQOSA-N 2 2 329.400 3.462 20 5 EGBDLP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423085957 309385192 /nfs/dbraw/zinc/38/51/92/309385192.db2.gz LAASQCJPFSXGMA-HZMBPMFUSA-N 2 2 331.338 3.234 20 5 EGBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424372272 309440753 /nfs/dbraw/zinc/44/07/53/309440753.db2.gz WHDQCIYXLLRXBP-HUUCEWRRSA-N 2 2 332.429 3.078 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000482516227 310933448 /nfs/dbraw/zinc/93/34/48/310933448.db2.gz WVRYMASAOGZYCZ-UHFFFAOYSA-N 2 2 347.459 3.490 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628659 311273638 /nfs/dbraw/zinc/27/36/38/311273638.db2.gz HLKPMPMBDHSPGO-QGZVFWFLSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628659 311273640 /nfs/dbraw/zinc/27/36/40/311273640.db2.gz HLKPMPMBDHSPGO-QGZVFWFLSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628659 311273641 /nfs/dbraw/zinc/27/36/41/311273641.db2.gz HLKPMPMBDHSPGO-QGZVFWFLSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628659 311273643 /nfs/dbraw/zinc/27/36/43/311273643.db2.gz HLKPMPMBDHSPGO-QGZVFWFLSA-N 2 2 347.459 3.157 20 5 EGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516290 453880926 /nfs/dbraw/zinc/88/09/26/453880926.db2.gz JVMIFZDSRSLPIA-HNNXBMFYSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516290 453880930 /nfs/dbraw/zinc/88/09/30/453880930.db2.gz JVMIFZDSRSLPIA-HNNXBMFYSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516290 453880931 /nfs/dbraw/zinc/88/09/31/453880931.db2.gz JVMIFZDSRSLPIA-HNNXBMFYSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516290 453880934 /nfs/dbraw/zinc/88/09/34/453880934.db2.gz JVMIFZDSRSLPIA-HNNXBMFYSA-N 2 2 335.448 3.157 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000179435532 455047159 /nfs/dbraw/zinc/04/71/59/455047159.db2.gz QOJDXPIZZJPBMM-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000179435532 455047164 /nfs/dbraw/zinc/04/71/64/455047164.db2.gz QOJDXPIZZJPBMM-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000255288370 455863697 /nfs/dbraw/zinc/86/36/97/455863697.db2.gz QXCFVDDCZXEJEN-CLUARGJDSA-N 2 2 326.400 3.388 20 5 EGBDLP C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000285579786 455874913 /nfs/dbraw/zinc/87/49/13/455874913.db2.gz KEELKQUAHXQGBT-BZNIZROVSA-N 2 2 336.342 3.153 20 5 EGBDLP C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000285579786 455874918 /nfs/dbraw/zinc/87/49/18/455874918.db2.gz KEELKQUAHXQGBT-BZNIZROVSA-N 2 2 336.342 3.153 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000348185253 456523085 /nfs/dbraw/zinc/52/30/85/456523085.db2.gz JEBZXUSJRCTTNE-UHFFFAOYSA-N 2 2 340.358 3.269 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000305216381 456538593 /nfs/dbraw/zinc/53/85/93/456538593.db2.gz IXUKKKHQIJZABW-VQIMIIECSA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000305216381 456538594 /nfs/dbraw/zinc/53/85/94/456538594.db2.gz IXUKKKHQIJZABW-VQIMIIECSA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381917 458130774 /nfs/dbraw/zinc/13/07/74/458130774.db2.gz YQQBUZUJYNOARS-GXTWGEPZSA-N 2 2 346.456 3.278 20 5 EGBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381917 458130776 /nfs/dbraw/zinc/13/07/76/458130776.db2.gz YQQBUZUJYNOARS-GXTWGEPZSA-N 2 2 346.456 3.278 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423430163 458431646 /nfs/dbraw/zinc/43/16/46/458431646.db2.gz POCIXDQLGHPFJH-KDOFPFPSSA-N 2 2 325.412 3.002 20 5 EGBDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602548033 459992564 /nfs/dbraw/zinc/99/25/64/459992564.db2.gz LFAHMSMMQUYDOW-NSHDSACASA-N 2 2 331.338 3.045 20 5 EGBDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602548033 459992569 /nfs/dbraw/zinc/99/25/69/459992569.db2.gz LFAHMSMMQUYDOW-NSHDSACASA-N 2 2 331.338 3.045 20 5 EGBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598994796 460120079 /nfs/dbraw/zinc/12/00/79/460120079.db2.gz SBHDWELMCVPCGV-GFCCVEGCSA-N 2 2 343.374 3.018 20 5 EGBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598994796 460120084 /nfs/dbraw/zinc/12/00/84/460120084.db2.gz SBHDWELMCVPCGV-GFCCVEGCSA-N 2 2 343.374 3.018 20 5 EGBDLP COC1CC[NH+](CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618984864 460241732 /nfs/dbraw/zinc/24/17/32/460241732.db2.gz BINHIKBDWMDFAX-SFHVURJKSA-N 2 2 347.459 3.018 20 5 EGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000872063691 1296711015 /nfs/dbraw/zinc/71/10/15/1296711015.db2.gz RZPKKRCBVVZUGK-NWDGAFQWSA-N 2 2 332.429 3.179 20 5 EGBDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892944339 1305619371 /nfs/dbraw/zinc/61/93/71/1305619371.db2.gz OZBQHFILUUQUSG-CYBMUJFWSA-N 2 2 325.840 3.458 20 5 EGBDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892944339 1305619375 /nfs/dbraw/zinc/61/93/75/1305619375.db2.gz OZBQHFILUUQUSG-CYBMUJFWSA-N 2 2 325.840 3.458 20 5 EGBDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638446 1305988641 /nfs/dbraw/zinc/98/86/41/1305988641.db2.gz GWIXQZFBPPCTAF-ZDUSSCGKSA-N 2 2 337.383 3.214 20 5 EGBDLP CC(C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000791011352 1308910597 /nfs/dbraw/zinc/91/05/97/1308910597.db2.gz PYVLESRXPJYIIQ-UHFFFAOYSA-N 2 2 325.840 3.460 20 5 EGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000811492234 1318184554 /nfs/dbraw/zinc/18/45/54/1318184554.db2.gz YTESBRFGVPNPEW-NSHDSACASA-N 2 2 341.198 3.203 20 5 EGBDLP COc1ccc(C[C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327216 1384292080 /nfs/dbraw/zinc/29/20/80/1384292080.db2.gz FXJBJGCKJODXMO-HNNXBMFYSA-N 2 2 347.459 3.095 20 5 EGBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173334973 144039833 /nfs/dbraw/zinc/03/98/33/144039833.db2.gz ZXJIOWYUYNLYNJ-ZDUSSCGKSA-N 2 2 337.383 3.335 20 5 EGBDLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121349135 278336189 /nfs/dbraw/zinc/33/61/89/278336189.db2.gz AATRVLNQIUTLEY-CQSZACIVSA-N 2 2 326.400 3.309 20 5 EGBDLP [NH3+]C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000414875080 309106670 /nfs/dbraw/zinc/10/66/70/309106670.db2.gz JFGLGIUXSFHSDC-UHFFFAOYSA-N 2 2 345.374 3.497 20 5 EGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000415064770 309117962 /nfs/dbraw/zinc/11/79/62/309117962.db2.gz LPYWHHDLCRXIMC-INIZCTEOSA-N 2 2 329.400 3.462 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423535803 309405502 /nfs/dbraw/zinc/40/55/02/309405502.db2.gz YJQKWUWESHRWNA-XUVXKRRUSA-N 2 2 337.423 3.317 20 5 EGBDLP CC(C)C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000480532786 310896044 /nfs/dbraw/zinc/89/60/44/310896044.db2.gz ADVBLGVCEPYMMG-ROUUACIJSA-N 2 2 333.476 3.482 20 5 EGBDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493312182 311358057 /nfs/dbraw/zinc/35/80/57/311358057.db2.gz WYCHWVNCASAVHV-UHFFFAOYSA-N 2 2 348.834 3.436 20 5 EGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)c1 ZINC000494444968 311478567 /nfs/dbraw/zinc/47/85/67/311478567.db2.gz OJXYXLQSKXTIEH-AWEZNQCLSA-N 2 2 338.367 3.156 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000504911524 312012478 /nfs/dbraw/zinc/01/24/78/312012478.db2.gz HUGKBCBSOBQIRG-GOEBONIOSA-N 2 2 337.489 3.395 20 5 EGBDLP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600778212 460599891 /nfs/dbraw/zinc/59/98/91/460599891.db2.gz WSZULTBBCXOUBI-FJDWXNHUSA-N 2 2 343.349 3.067 20 5 EGBDLP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600778212 460599895 /nfs/dbraw/zinc/59/98/95/460599895.db2.gz WSZULTBBCXOUBI-FJDWXNHUSA-N 2 2 343.349 3.067 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157258459 455177088 /nfs/dbraw/zinc/17/70/88/455177088.db2.gz ZILDHGHCLTZCAR-MRXNPFEDSA-N 2 2 333.432 3.054 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157258459 455177091 /nfs/dbraw/zinc/17/70/91/455177091.db2.gz ZILDHGHCLTZCAR-MRXNPFEDSA-N 2 2 333.432 3.054 20 5 EGBDLP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158937524 455339005 /nfs/dbraw/zinc/33/90/05/455339005.db2.gz KIVKAFADOIDNGN-OALUTQOASA-N 2 2 349.475 3.118 20 5 EGBDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285712769 455902897 /nfs/dbraw/zinc/90/28/97/455902897.db2.gz PRUCFBBWSBJBIJ-UHFFFAOYSA-N 2 2 335.379 3.281 20 5 EGBDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285712769 455902903 /nfs/dbraw/zinc/90/29/03/455902903.db2.gz PRUCFBBWSBJBIJ-UHFFFAOYSA-N 2 2 335.379 3.281 20 5 EGBDLP C[NH+](CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccco1 ZINC000285712769 455902908 /nfs/dbraw/zinc/90/29/08/455902908.db2.gz PRUCFBBWSBJBIJ-UHFFFAOYSA-N 2 2 335.379 3.281 20 5 EGBDLP C[NH+](CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccco1 ZINC000285712769 455902912 /nfs/dbraw/zinc/90/29/12/455902912.db2.gz PRUCFBBWSBJBIJ-UHFFFAOYSA-N 2 2 335.379 3.281 20 5 EGBDLP C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000406033183 457554370 /nfs/dbraw/zinc/55/43/70/457554370.db2.gz OMEVPYMXTWJCOR-LJQANCHMSA-N 2 2 325.412 3.349 20 5 EGBDLP C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406033183 457554373 /nfs/dbraw/zinc/55/43/73/457554373.db2.gz OMEVPYMXTWJCOR-LJQANCHMSA-N 2 2 325.412 3.349 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430220459 458424256 /nfs/dbraw/zinc/42/42/56/458424256.db2.gz QDPCSQIURGGXOU-GOEBONIOSA-N 2 2 347.459 3.346 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000430220459 458424259 /nfs/dbraw/zinc/42/42/59/458424259.db2.gz QDPCSQIURGGXOU-GOEBONIOSA-N 2 2 347.459 3.346 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000595386658 459288050 /nfs/dbraw/zinc/28/80/50/459288050.db2.gz KCQVFWHXQZEVEJ-DYVFJYSZSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000595386658 459288053 /nfs/dbraw/zinc/28/80/53/459288053.db2.gz KCQVFWHXQZEVEJ-DYVFJYSZSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000595386658 459288056 /nfs/dbraw/zinc/28/80/56/459288056.db2.gz KCQVFWHXQZEVEJ-DYVFJYSZSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000595386658 459288059 /nfs/dbraw/zinc/28/80/59/459288059.db2.gz KCQVFWHXQZEVEJ-DYVFJYSZSA-N 2 2 333.407 3.183 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000534329399 459315902 /nfs/dbraw/zinc/31/59/02/459315902.db2.gz QPRIWOYTEZUGQQ-CABCVRRESA-N 2 2 337.489 3.397 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000534329399 459315907 /nfs/dbraw/zinc/31/59/07/459315907.db2.gz QPRIWOYTEZUGQQ-CABCVRRESA-N 2 2 337.489 3.397 20 5 EGBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173334986 144039596 /nfs/dbraw/zinc/03/95/96/144039596.db2.gz ZXJIOWYUYNLYNJ-CYBMUJFWSA-N 2 2 337.383 3.335 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000344633075 144202456 /nfs/dbraw/zinc/20/24/56/144202456.db2.gz QSBVAVYWRILRAS-DZGCQCFKSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000344633075 144202457 /nfs/dbraw/zinc/20/24/57/144202457.db2.gz QSBVAVYWRILRAS-DZGCQCFKSA-N 2 2 329.400 3.427 20 5 EGBDLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000248066384 288040297 /nfs/dbraw/zinc/04/02/97/288040297.db2.gz ZOIYPBFYGVFJHD-MPGHIAIKSA-N 2 2 335.448 3.135 20 5 EGBDLP COc1ccc(-c2ccc(C[N@H+](C)C3(C[NH3+])CCC3)o2)c([N+](=O)[O-])c1 ZINC000414775865 309100257 /nfs/dbraw/zinc/10/02/57/309100257.db2.gz CIPAZZUSTNEGOL-UHFFFAOYSA-N 2 2 345.399 3.177 20 5 EGBDLP COc1ccc(-c2ccc(C[N@@H+](C)C3(C[NH3+])CCC3)o2)c([N+](=O)[O-])c1 ZINC000414775865 309100258 /nfs/dbraw/zinc/10/02/58/309100258.db2.gz CIPAZZUSTNEGOL-UHFFFAOYSA-N 2 2 345.399 3.177 20 5 EGBDLP Cc1cc(NCC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301828883 308717274 /nfs/dbraw/zinc/71/72/74/308717274.db2.gz OQIFRBVVTNROFV-UHFFFAOYSA-N 2 2 341.415 3.114 20 5 EGBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414977446 309112453 /nfs/dbraw/zinc/11/24/53/309112453.db2.gz KCOTZARMMLWWSM-OAHLLOKOSA-N 2 2 328.416 3.190 20 5 EGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000415043670 309116195 /nfs/dbraw/zinc/11/61/95/309116195.db2.gz AWBNZHCHCIEVLQ-QGZVFWFLSA-N 2 2 329.400 3.462 20 5 EGBDLP C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000415128458 309122346 /nfs/dbraw/zinc/12/23/46/309122346.db2.gz NYJWRSWRLIKHQU-OCCSQVGLSA-N 2 2 346.456 3.135 20 5 EGBDLP C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000415128458 309122347 /nfs/dbraw/zinc/12/23/47/309122347.db2.gz NYJWRSWRLIKHQU-OCCSQVGLSA-N 2 2 346.456 3.135 20 5 EGBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310293 309201176 /nfs/dbraw/zinc/20/11/76/309201176.db2.gz LATYINBAHCGQAF-HNAYVOBHSA-N 2 2 347.459 3.063 20 5 EGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824378 324279915 /nfs/dbraw/zinc/27/99/15/324279915.db2.gz NYGXLZKQEXKXGL-OXQOHEQNSA-N 2 2 339.439 3.247 20 5 EGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824378 324279920 /nfs/dbraw/zinc/27/99/20/324279920.db2.gz NYGXLZKQEXKXGL-OXQOHEQNSA-N 2 2 339.439 3.247 20 5 EGBDLP Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000075758127 453924235 /nfs/dbraw/zinc/92/42/35/453924235.db2.gz NQHKYPOFYVDGBC-UHFFFAOYSA-N 2 2 336.395 3.438 20 5 EGBDLP Cc1c[nH+]ccc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090846823 454345226 /nfs/dbraw/zinc/34/52/26/454345226.db2.gz JDJLIEXGUFZXEX-GOSISDBHSA-N 2 2 325.412 3.452 20 5 EGBDLP Cc1c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000152778399 454725126 /nfs/dbraw/zinc/72/51/26/454725126.db2.gz KOGIMPWMLYIQSC-CQSZACIVSA-N 2 2 328.416 3.329 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000175280841 455433953 /nfs/dbraw/zinc/43/39/53/455433953.db2.gz GRYXSATVYNCKEF-OAHLLOKOSA-N 2 2 335.448 3.157 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000175280841 455433956 /nfs/dbraw/zinc/43/39/56/455433956.db2.gz GRYXSATVYNCKEF-OAHLLOKOSA-N 2 2 335.448 3.157 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cc[nH+]c1 ZINC000271115543 456130507 /nfs/dbraw/zinc/13/05/07/456130507.db2.gz IHGCDSVOOXVXPV-AWEZNQCLSA-N 2 2 334.445 3.342 20 5 EGBDLP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276841316 456596644 /nfs/dbraw/zinc/59/66/44/456596644.db2.gz CKHDXJOEQKBVPP-QGZVFWFLSA-N 2 2 347.459 3.444 20 5 EGBDLP CCOc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276841316 456596652 /nfs/dbraw/zinc/59/66/52/456596652.db2.gz CKHDXJOEQKBVPP-QGZVFWFLSA-N 2 2 347.459 3.444 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000277133552 456693727 /nfs/dbraw/zinc/69/37/27/456693727.db2.gz IOIWAVIGWVNMPX-UHFFFAOYSA-N 2 2 334.395 3.405 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000277133552 456693733 /nfs/dbraw/zinc/69/37/33/456693733.db2.gz IOIWAVIGWVNMPX-UHFFFAOYSA-N 2 2 334.395 3.405 20 5 EGBDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502879 458444859 /nfs/dbraw/zinc/44/48/59/458444859.db2.gz FJMVDCYDOLKRKY-IPMKNSEASA-N 2 2 325.412 3.391 20 5 EGBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203028 458811640 /nfs/dbraw/zinc/81/16/40/458811640.db2.gz UOTNQQOPKSAIEV-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203028 458811642 /nfs/dbraw/zinc/81/16/42/458811642.db2.gz UOTNQQOPKSAIEV-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203028 458811644 /nfs/dbraw/zinc/81/16/44/458811644.db2.gz UOTNQQOPKSAIEV-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203028 458811646 /nfs/dbraw/zinc/81/16/46/458811646.db2.gz UOTNQQOPKSAIEV-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000595008281 459213862 /nfs/dbraw/zinc/21/38/62/459213862.db2.gz UGXIRBFAWXNGAF-ZDUSSCGKSA-N 2 2 344.415 3.030 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506480 459329217 /nfs/dbraw/zinc/32/92/17/459329217.db2.gz CYZLZSCVYGVEFU-IBGZPJMESA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506480 459329218 /nfs/dbraw/zinc/32/92/18/459329218.db2.gz CYZLZSCVYGVEFU-IBGZPJMESA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506480 459329220 /nfs/dbraw/zinc/32/92/20/459329220.db2.gz CYZLZSCVYGVEFU-IBGZPJMESA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506480 459329221 /nfs/dbraw/zinc/32/92/21/459329221.db2.gz CYZLZSCVYGVEFU-IBGZPJMESA-N 2 2 347.459 3.300 20 5 EGBDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000596104570 459522247 /nfs/dbraw/zinc/52/22/47/459522247.db2.gz GHHDSNNIPJKVRC-AWEZNQCLSA-N 2 2 328.416 3.060 20 5 EGBDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997104 1384081607 /nfs/dbraw/zinc/08/16/07/1384081607.db2.gz XSZVTYUGSZEPRS-DNVCBOLYSA-N 2 2 349.450 3.134 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001172921784 1384879983 /nfs/dbraw/zinc/87/99/83/1384879983.db2.gz SZVWOGMJDVBBIG-IAGOWNOFSA-N 2 2 340.427 3.378 20 5 EGBDLP C[C@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC[NH2+]C1 ZINC000414905527 309108516 /nfs/dbraw/zinc/10/85/16/309108516.db2.gz LKNCXBZSEKZMNY-KRWDZBQOSA-N 2 2 346.456 3.198 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000449087184 310036056 /nfs/dbraw/zinc/03/60/56/310036056.db2.gz UTBIQSNSZGOSAZ-VQIMIIECSA-N 2 2 341.455 3.288 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000504911525 312012651 /nfs/dbraw/zinc/01/26/51/312012651.db2.gz HUGKBCBSOBQIRG-HOCLYGCPSA-N 2 2 337.489 3.395 20 5 EGBDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000380041309 324242957 /nfs/dbraw/zinc/24/29/57/324242957.db2.gz SBIIBTROYVRIFR-BEFAXECRSA-N 2 2 325.412 3.347 20 5 EGBDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000380041309 324242962 /nfs/dbraw/zinc/24/29/62/324242962.db2.gz SBIIBTROYVRIFR-BEFAXECRSA-N 2 2 325.412 3.347 20 5 EGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCn3cc[nH+]c3)cs2)c1 ZINC000113311846 454922261 /nfs/dbraw/zinc/92/22/61/454922261.db2.gz LVKNLPUKIQCWEY-UHFFFAOYSA-N 2 2 343.412 3.095 20 5 EGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285126338 455793028 /nfs/dbraw/zinc/79/30/28/455793028.db2.gz LHIGNAJWRVOQLM-LBPRGKRZSA-N 2 2 339.399 3.186 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000353746306 456885057 /nfs/dbraw/zinc/88/50/57/456885057.db2.gz JVJUTMWABRUJJG-HOCLYGCPSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000353746306 456885061 /nfs/dbraw/zinc/88/50/61/456885061.db2.gz JVJUTMWABRUJJG-HOCLYGCPSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000353746306 456885064 /nfs/dbraw/zinc/88/50/64/456885064.db2.gz JVJUTMWABRUJJG-HOCLYGCPSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000353746306 456885069 /nfs/dbraw/zinc/88/50/69/456885069.db2.gz JVJUTMWABRUJJG-HOCLYGCPSA-N 2 2 335.448 3.298 20 5 EGBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346691772 457114506 /nfs/dbraw/zinc/11/45/06/457114506.db2.gz WFMZWMZVLGXDEJ-ZDUSSCGKSA-N 2 2 331.363 3.001 20 5 EGBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346691772 457114507 /nfs/dbraw/zinc/11/45/07/457114507.db2.gz WFMZWMZVLGXDEJ-ZDUSSCGKSA-N 2 2 331.363 3.001 20 5 EGBDLP CCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000373114961 458401685 /nfs/dbraw/zinc/40/16/85/458401685.db2.gz FXPULLDVBXFLGZ-OAHLLOKOSA-N 2 2 344.415 3.107 20 5 EGBDLP CCOc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000373114961 458401688 /nfs/dbraw/zinc/40/16/88/458401688.db2.gz FXPULLDVBXFLGZ-OAHLLOKOSA-N 2 2 344.415 3.107 20 5 EGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436220 458676444 /nfs/dbraw/zinc/67/64/44/458676444.db2.gz PQTPQFXGGPTEEM-MEBBXXQBSA-N 2 2 343.349 3.186 20 5 EGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436220 458676451 /nfs/dbraw/zinc/67/64/51/458676451.db2.gz PQTPQFXGGPTEEM-MEBBXXQBSA-N 2 2 343.349 3.186 20 5 EGBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057459 459230149 /nfs/dbraw/zinc/23/01/49/459230149.db2.gz XIEBDHSLLRNVKE-IRXDYDNUSA-N 2 2 331.460 3.378 20 5 EGBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057459 459230157 /nfs/dbraw/zinc/23/01/57/459230157.db2.gz XIEBDHSLLRNVKE-IRXDYDNUSA-N 2 2 331.460 3.378 20 5 EGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595460990 459310048 /nfs/dbraw/zinc/31/00/48/459310048.db2.gz JMZXYXQFJRWNGL-UHFFFAOYSA-N 2 2 345.374 3.481 20 5 EGBDLP CCCC[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602534593 459986741 /nfs/dbraw/zinc/98/67/41/459986741.db2.gz KBMNQEXDFADZHF-UHFFFAOYSA-N 2 2 332.404 3.090 20 5 EGBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719954 460004994 /nfs/dbraw/zinc/00/49/94/460004994.db2.gz OUPFVWVMXLOAOO-KBXCAEBGSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719954 460005000 /nfs/dbraw/zinc/00/50/00/460005000.db2.gz OUPFVWVMXLOAOO-KBXCAEBGSA-N 2 2 327.384 3.168 20 5 EGBDLP O[C@@H]1C[NH2+]CC[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475813 1372362470 /nfs/dbraw/zinc/36/24/70/1372362470.db2.gz PFSPTQZLZMUZQG-CQSZACIVSA-N 2 2 340.854 3.413 20 5 EGBDLP O[C@@H]1C[NH2+]CC[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475813 1372362475 /nfs/dbraw/zinc/36/24/75/1372362475.db2.gz PFSPTQZLZMUZQG-CQSZACIVSA-N 2 2 340.854 3.413 20 5 EGBDLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319779 1384289864 /nfs/dbraw/zinc/28/98/64/1384289864.db2.gz YZHWSENDKGYIGM-GOEBONIOSA-N 2 2 347.459 3.141 20 5 EGBDLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319779 1384289865 /nfs/dbraw/zinc/28/98/65/1384289865.db2.gz YZHWSENDKGYIGM-GOEBONIOSA-N 2 2 347.459 3.141 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001172906960 1384875495 /nfs/dbraw/zinc/87/54/95/1384875495.db2.gz ZKTGVZBVMNSXGR-MOPGFXCFSA-N 2 2 343.471 3.306 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001172906960 1384875496 /nfs/dbraw/zinc/87/54/96/1384875496.db2.gz ZKTGVZBVMNSXGR-MOPGFXCFSA-N 2 2 343.471 3.306 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000344815494 144227327 /nfs/dbraw/zinc/22/73/27/144227327.db2.gz BPOFNLVTGWYNBA-DAPLNWGVSA-N 2 2 347.459 3.087 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000192924837 153266950 /nfs/dbraw/zinc/26/69/50/153266950.db2.gz KSVBLTLZAHZDRV-HNNXBMFYSA-N 2 2 331.441 3.268 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000192924837 153266956 /nfs/dbraw/zinc/26/69/56/153266956.db2.gz KSVBLTLZAHZDRV-HNNXBMFYSA-N 2 2 331.441 3.268 20 5 EGBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489078266 311091897 /nfs/dbraw/zinc/09/18/97/311091897.db2.gz QKMIGAIOAMEMJU-UHFFFAOYSA-N 2 2 345.365 3.443 20 5 EGBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489078266 311091899 /nfs/dbraw/zinc/09/18/99/311091899.db2.gz QKMIGAIOAMEMJU-UHFFFAOYSA-N 2 2 345.365 3.443 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509619458 312121505 /nfs/dbraw/zinc/12/15/05/312121505.db2.gz PCOSSSQCEHUAGN-IYBDPMFKSA-N 2 2 349.475 3.451 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509619458 312121507 /nfs/dbraw/zinc/12/15/07/312121507.db2.gz PCOSSSQCEHUAGN-IYBDPMFKSA-N 2 2 349.475 3.451 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000532198479 313767852 /nfs/dbraw/zinc/76/78/52/313767852.db2.gz BLGQPBMDCMWURF-JYJNAYRXSA-N 2 2 335.448 3.053 20 5 EGBDLP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1[N+](=O)[O-] ZINC000285426197 455844035 /nfs/dbraw/zinc/84/40/35/455844035.db2.gz HAMIBVKJYJOYNM-XYPWUTKMSA-N 2 2 333.432 3.051 20 5 EGBDLP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1[N+](=O)[O-] ZINC000285426197 455844039 /nfs/dbraw/zinc/84/40/39/455844039.db2.gz HAMIBVKJYJOYNM-XYPWUTKMSA-N 2 2 333.432 3.051 20 5 EGBDLP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000285426197 455844045 /nfs/dbraw/zinc/84/40/45/455844045.db2.gz HAMIBVKJYJOYNM-XYPWUTKMSA-N 2 2 333.432 3.051 20 5 EGBDLP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000285426197 455844048 /nfs/dbraw/zinc/84/40/48/455844048.db2.gz HAMIBVKJYJOYNM-XYPWUTKMSA-N 2 2 333.432 3.051 20 5 EGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCc3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000601101900 460710725 /nfs/dbraw/zinc/71/07/25/460710725.db2.gz XFZWIXJJLMOQBR-UHFFFAOYSA-N 2 2 349.394 3.172 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000305216379 456538071 /nfs/dbraw/zinc/53/80/71/456538071.db2.gz IXUKKKHQIJZABW-QFBILLFUSA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000305216379 456538078 /nfs/dbraw/zinc/53/80/78/456538078.db2.gz IXUKKKHQIJZABW-QFBILLFUSA-N 2 2 339.439 3.390 20 5 EGBDLP CCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000276960325 456631440 /nfs/dbraw/zinc/63/14/40/456631440.db2.gz VKICTQSTTCLYAN-CQSZACIVSA-N 2 2 330.388 3.096 20 5 EGBDLP CCOc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000276960325 456631449 /nfs/dbraw/zinc/63/14/49/456631449.db2.gz VKICTQSTTCLYAN-CQSZACIVSA-N 2 2 330.388 3.096 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277201699 456722085 /nfs/dbraw/zinc/72/20/85/456722085.db2.gz MQJBLJKJJKFGIQ-INIZCTEOSA-N 2 2 335.448 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277201699 456722091 /nfs/dbraw/zinc/72/20/91/456722091.db2.gz MQJBLJKJJKFGIQ-INIZCTEOSA-N 2 2 335.448 3.298 20 5 EGBDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339095047 456938203 /nfs/dbraw/zinc/93/82/03/456938203.db2.gz FXMPIWYBGLQZDJ-PBHICJAKSA-N 2 2 335.448 3.291 20 5 EGBDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000347581804 457525330 /nfs/dbraw/zinc/52/53/30/457525330.db2.gz HIZSVCULSKFRIB-UHFFFAOYSA-N 2 2 340.427 3.053 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+]CC3([NH3+])CCCC3)o2)c([N+](=O)[O-])c1 ZINC000594739236 459147512 /nfs/dbraw/zinc/14/75/12/459147512.db2.gz PPORYIFYWVSEPK-UHFFFAOYSA-N 2 2 345.399 3.225 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000595017758 459217437 /nfs/dbraw/zinc/21/74/37/459217437.db2.gz OENUITCNTNUSOQ-GJZGRUSLSA-N 2 2 335.448 3.376 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000595045541 459226833 /nfs/dbraw/zinc/22/68/33/459226833.db2.gz NLRCXAYLOKQNKK-CQSZACIVSA-N 2 2 335.448 3.376 20 5 EGBDLP CC(C)[NH+](CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602566472 459999355 /nfs/dbraw/zinc/99/93/55/459999355.db2.gz ICDVPHZXOIARSW-UHFFFAOYSA-N 2 2 334.420 3.335 20 5 EGBDLP Cc1[nH]c(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000886659849 1303543043 /nfs/dbraw/zinc/54/30/43/1303543043.db2.gz WZESGXCMZXMZAW-UHFFFAOYSA-N 2 2 332.379 3.453 20 5 EGBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC001318605900 1385791265 /nfs/dbraw/zinc/79/12/65/1385791265.db2.gz WHFKSKSMSVSCGB-UHFFFAOYSA-N 2 2 337.339 3.045 20 5 EGBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000126458673 162304453 /nfs/dbraw/zinc/30/44/53/162304453.db2.gz TVJOHOOEZLGJLQ-ZDUSSCGKSA-N 2 2 337.383 3.335 20 5 EGBDLP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000350222624 165019671 /nfs/dbraw/zinc/01/96/71/165019671.db2.gz QGRPXACABRYARO-UHFFFAOYSA-N 2 2 335.448 3.244 20 5 EGBDLP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000350222624 165019672 /nfs/dbraw/zinc/01/96/72/165019672.db2.gz QGRPXACABRYARO-UHFFFAOYSA-N 2 2 335.448 3.244 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000365197303 275037952 /nfs/dbraw/zinc/03/79/52/275037952.db2.gz NHRGIICNWUPYLY-SFHVURJKSA-N 2 2 340.427 3.337 20 5 EGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415063980 309117767 /nfs/dbraw/zinc/11/77/67/309117767.db2.gz JMQBOGPNBNZOPT-IEODJVTJSA-N 2 2 325.412 3.460 20 5 EGBDLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091489 309385408 /nfs/dbraw/zinc/38/54/08/309385408.db2.gz XFHHUJVWSFKHAS-UONOGXRCSA-N 2 2 331.338 3.363 20 5 EGBDLP CC[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCC1 ZINC000151660673 455014197 /nfs/dbraw/zinc/01/41/97/455014197.db2.gz FEWOMJXJFKKKIL-QZTJIDSGSA-N 2 2 331.460 3.380 20 5 EGBDLP Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1[N+](=O)[O-] ZINC000352761147 456284155 /nfs/dbraw/zinc/28/41/55/456284155.db2.gz UZJTYGMQYKUMLF-GFCCVEGCSA-N 2 2 334.445 3.272 20 5 EGBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000352540515 457451317 /nfs/dbraw/zinc/45/13/17/457451317.db2.gz MDQNIOUYXWKGGU-OAHLLOKOSA-N 2 2 346.456 3.422 20 5 EGBDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000352540515 457451321 /nfs/dbraw/zinc/45/13/21/457451321.db2.gz MDQNIOUYXWKGGU-OAHLLOKOSA-N 2 2 346.456 3.422 20 5 EGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436216 458676756 /nfs/dbraw/zinc/67/67/56/458676756.db2.gz PQTPQFXGGPTEEM-BMIGLBTASA-N 2 2 343.349 3.186 20 5 EGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436216 458676760 /nfs/dbraw/zinc/67/67/60/458676760.db2.gz PQTPQFXGGPTEEM-BMIGLBTASA-N 2 2 343.349 3.186 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000595009701 459213882 /nfs/dbraw/zinc/21/38/82/459213882.db2.gz CXNOUDRERYLRBS-GJZGRUSLSA-N 2 2 335.448 3.374 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000595009701 459213889 /nfs/dbraw/zinc/21/38/89/459213889.db2.gz CXNOUDRERYLRBS-GJZGRUSLSA-N 2 2 335.448 3.374 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718690 459836275 /nfs/dbraw/zinc/83/62/75/459836275.db2.gz SYODIWYHFWZRAZ-SJORKVTESA-N 2 2 347.459 3.151 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718690 459836279 /nfs/dbraw/zinc/83/62/79/459836279.db2.gz SYODIWYHFWZRAZ-SJORKVTESA-N 2 2 347.459 3.151 20 5 EGBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717457 460005363 /nfs/dbraw/zinc/00/53/63/460005363.db2.gz FPNNDSOLBYFXSU-KBXCAEBGSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717457 460005367 /nfs/dbraw/zinc/00/53/67/460005367.db2.gz FPNNDSOLBYFXSU-KBXCAEBGSA-N 2 2 327.384 3.168 20 5 EGBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602725117 460088352 /nfs/dbraw/zinc/08/83/52/460088352.db2.gz XKFOJOSFPXLASQ-GFCCVEGCSA-N 2 2 345.365 3.435 20 5 EGBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602725117 460088361 /nfs/dbraw/zinc/08/83/61/460088361.db2.gz XKFOJOSFPXLASQ-GFCCVEGCSA-N 2 2 345.365 3.435 20 5 EGBDLP CCn1c[nH+]c2c1CCN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000896661015 1309962596 /nfs/dbraw/zinc/96/25/96/1309962596.db2.gz WYTHCELAXJDHFC-UHFFFAOYSA-N 2 2 337.383 3.231 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001172903823 1384874615 /nfs/dbraw/zinc/87/46/15/1384874615.db2.gz JMYBYVWOPHKEDB-SJORKVTESA-N 2 2 329.444 3.059 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001172903823 1384874620 /nfs/dbraw/zinc/87/46/20/1384874620.db2.gz JMYBYVWOPHKEDB-SJORKVTESA-N 2 2 329.444 3.059 20 5 EGBDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000119902553 152237531 /nfs/dbraw/zinc/23/75/31/152237531.db2.gz FFNHNMHOSCKPIV-OWCLPIDISA-N 2 2 335.448 3.053 20 5 EGBDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000119902553 152237534 /nfs/dbraw/zinc/23/75/34/152237534.db2.gz FFNHNMHOSCKPIV-OWCLPIDISA-N 2 2 335.448 3.053 20 5 EGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438606 168225754 /nfs/dbraw/zinc/22/57/54/168225754.db2.gz OEUCSRYGLHFJQK-CQSZACIVSA-N 2 2 328.416 3.239 20 5 EGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000278659271 275263066 /nfs/dbraw/zinc/26/30/66/275263066.db2.gz KLVRUIJTNXZPJV-UHFFFAOYSA-N 2 2 327.384 3.342 20 5 EGBDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000414362638 309075411 /nfs/dbraw/zinc/07/54/11/309075411.db2.gz FKQAVPAFVAPEEO-OAHLLOKOSA-N 2 2 340.427 3.305 20 5 EGBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489063869 311091425 /nfs/dbraw/zinc/09/14/25/311091425.db2.gz AYCGCPOOLOWDRS-UHFFFAOYSA-N 2 2 345.365 3.443 20 5 EGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000515433169 312283029 /nfs/dbraw/zinc/28/30/29/312283029.db2.gz QAZYTJJVWUPYKK-CZUORRHYSA-N 2 2 326.400 3.254 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119917094 454235649 /nfs/dbraw/zinc/23/56/49/454235649.db2.gz BLGQPBMDCMWURF-XHSDSOJGSA-N 2 2 335.448 3.053 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119917094 454235653 /nfs/dbraw/zinc/23/56/53/454235653.db2.gz BLGQPBMDCMWURF-XHSDSOJGSA-N 2 2 335.448 3.053 20 5 EGBDLP CCC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090046594 454265516 /nfs/dbraw/zinc/26/55/16/454265516.db2.gz XAPWDUINJQZYSZ-QAPCUYQASA-N 2 2 335.448 3.136 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961340 454658807 /nfs/dbraw/zinc/65/88/07/454658807.db2.gz BERUQNLXTMKSIX-CQSZACIVSA-N 2 2 344.415 3.485 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961340 454658811 /nfs/dbraw/zinc/65/88/11/454658811.db2.gz BERUQNLXTMKSIX-CQSZACIVSA-N 2 2 344.415 3.485 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000276860841 456602362 /nfs/dbraw/zinc/60/23/62/456602362.db2.gz GGVNKSBYFSOHTB-QGZVFWFLSA-N 2 2 347.459 3.301 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000276860841 456602367 /nfs/dbraw/zinc/60/23/67/456602367.db2.gz GGVNKSBYFSOHTB-QGZVFWFLSA-N 2 2 347.459 3.301 20 5 EGBDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000437074649 458425342 /nfs/dbraw/zinc/42/53/42/458425342.db2.gz JQLJVSDOOOGBBS-DOTOQJQBSA-N 2 2 331.460 3.380 20 5 EGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423517127 458448904 /nfs/dbraw/zinc/44/89/04/458448904.db2.gz YORNETTVBMTEKO-RDTXWAMCSA-N 2 2 327.428 3.378 20 5 EGBDLP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000556813540 459013757 /nfs/dbraw/zinc/01/37/57/459013757.db2.gz ZYGKSCWRKNEXQK-UHFFFAOYSA-N 2 2 341.402 3.425 20 5 EGBDLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000556813540 459013761 /nfs/dbraw/zinc/01/37/61/459013761.db2.gz ZYGKSCWRKNEXQK-UHFFFAOYSA-N 2 2 341.402 3.425 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000595007254 459212438 /nfs/dbraw/zinc/21/24/38/459212438.db2.gz LGSBKKIVXOCMFX-CYBMUJFWSA-N 2 2 340.383 3.144 20 5 EGBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717458 460004434 /nfs/dbraw/zinc/00/44/34/460004434.db2.gz FPNNDSOLBYFXSU-KDOFPFPSSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717458 460004441 /nfs/dbraw/zinc/00/44/41/460004441.db2.gz FPNNDSOLBYFXSU-KDOFPFPSSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719222 460004652 /nfs/dbraw/zinc/00/46/52/460004652.db2.gz MICWGGOGHPYHRN-FZKQIMNGSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719222 460004659 /nfs/dbraw/zinc/00/46/59/460004659.db2.gz MICWGGOGHPYHRN-FZKQIMNGSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985029 1384079477 /nfs/dbraw/zinc/07/94/77/1384079477.db2.gz CEUGXWKMYRNYNX-GEALJGNFSA-N 2 2 339.439 3.463 20 5 EGBDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001337033572 1389241490 /nfs/dbraw/zinc/24/14/90/1389241490.db2.gz ZLSDBOSXRKPONR-KRWDZBQOSA-N 2 2 326.400 3.375 20 5 EGBDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001337033572 1389241491 /nfs/dbraw/zinc/24/14/91/1389241491.db2.gz ZLSDBOSXRKPONR-KRWDZBQOSA-N 2 2 326.400 3.375 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674858 533222730 /nfs/dbraw/zinc/22/27/30/533222730.db2.gz JRAODSGCPIJFKM-CABCVRRESA-N 2 2 347.459 3.346 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674858 533222732 /nfs/dbraw/zinc/22/27/32/533222732.db2.gz JRAODSGCPIJFKM-CABCVRRESA-N 2 2 347.459 3.346 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000184731686 144098084 /nfs/dbraw/zinc/09/80/84/144098084.db2.gz UOZGWCGUFRWUIU-CDVVCGDMSA-N 2 2 340.427 3.296 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000184731686 144098085 /nfs/dbraw/zinc/09/80/85/144098085.db2.gz UOZGWCGUFRWUIU-CDVVCGDMSA-N 2 2 340.427 3.296 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000344610650 144198295 /nfs/dbraw/zinc/19/82/95/144198295.db2.gz AYRUXAOPTKYLDT-ZIAGYGMSSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000344610650 144198297 /nfs/dbraw/zinc/19/82/97/144198297.db2.gz AYRUXAOPTKYLDT-ZIAGYGMSSA-N 2 2 329.400 3.427 20 5 EGBDLP CC[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279418392 275329713 /nfs/dbraw/zinc/32/97/13/275329713.db2.gz FLCXNDGBRRIZCJ-UHFFFAOYSA-N 2 2 331.338 3.188 20 5 EGBDLP CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414809595 309102922 /nfs/dbraw/zinc/10/29/22/309102922.db2.gz VRBJXPYEJVTKDB-UHFFFAOYSA-N 2 2 328.416 3.190 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000332336348 308834450 /nfs/dbraw/zinc/83/44/50/308834450.db2.gz DATRIQJWLMZWBE-INIZCTEOSA-N 2 2 340.427 3.490 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000415052933 309116769 /nfs/dbraw/zinc/11/67/69/309116769.db2.gz JANGJOSBBYMPEP-QGZVFWFLSA-N 2 2 347.415 3.326 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000504911523 312012444 /nfs/dbraw/zinc/01/24/44/312012444.db2.gz HUGKBCBSOBQIRG-GDBMZVCRSA-N 2 2 337.489 3.395 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[NH+](C)C ZINC000504930984 312012768 /nfs/dbraw/zinc/01/27/68/312012768.db2.gz VCAFPCNOCURUCJ-CYBMUJFWSA-N 2 2 325.478 3.395 20 5 EGBDLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903556 454606401 /nfs/dbraw/zinc/60/64/01/454606401.db2.gz PTBNGIWJAGJKDN-WBVHZDCISA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903556 454606406 /nfs/dbraw/zinc/60/64/06/454606406.db2.gz PTBNGIWJAGJKDN-WBVHZDCISA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903556 454606412 /nfs/dbraw/zinc/60/64/12/454606412.db2.gz PTBNGIWJAGJKDN-WBVHZDCISA-N 2 2 345.443 3.052 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865776 454742127 /nfs/dbraw/zinc/74/21/27/454742127.db2.gz YTMZADSIYVJSSH-NJELEJDNSA-N 2 2 325.368 3.156 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865776 454742130 /nfs/dbraw/zinc/74/21/30/454742130.db2.gz YTMZADSIYVJSSH-NJELEJDNSA-N 2 2 325.368 3.156 20 5 EGBDLP CC[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000157494220 455200121 /nfs/dbraw/zinc/20/01/21/455200121.db2.gz XLENGMBJIFLBLQ-UHFFFAOYSA-N 2 2 335.448 3.298 20 5 EGBDLP CC[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000157494220 455200123 /nfs/dbraw/zinc/20/01/23/455200123.db2.gz XLENGMBJIFLBLQ-UHFFFAOYSA-N 2 2 335.448 3.298 20 5 EGBDLP C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738080 455611043 /nfs/dbraw/zinc/61/10/43/455611043.db2.gz BXLABLSQRYHUNK-KBPBESRZSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738080 455611047 /nfs/dbraw/zinc/61/10/47/455611047.db2.gz BXLABLSQRYHUNK-KBPBESRZSA-N 2 2 335.423 3.477 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285477631 455854101 /nfs/dbraw/zinc/85/41/01/455854101.db2.gz LAASPKADWXXYTO-FKEKPDDDSA-N 2 2 333.432 3.051 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285477631 455854104 /nfs/dbraw/zinc/85/41/04/455854104.db2.gz LAASPKADWXXYTO-FKEKPDDDSA-N 2 2 333.432 3.051 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285477631 455854110 /nfs/dbraw/zinc/85/41/10/455854110.db2.gz LAASPKADWXXYTO-FKEKPDDDSA-N 2 2 333.432 3.051 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285477631 455854114 /nfs/dbraw/zinc/85/41/14/455854114.db2.gz LAASPKADWXXYTO-FKEKPDDDSA-N 2 2 333.432 3.051 20 5 EGBDLP C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000285579799 455874706 /nfs/dbraw/zinc/87/47/06/455874706.db2.gz KEELKQUAHXQGBT-MEDUHNTESA-N 2 2 336.342 3.153 20 5 EGBDLP C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000285579799 455874709 /nfs/dbraw/zinc/87/47/09/455874709.db2.gz KEELKQUAHXQGBT-MEDUHNTESA-N 2 2 336.342 3.153 20 5 EGBDLP C[NH+](CCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000353571953 456771749 /nfs/dbraw/zinc/77/17/49/456771749.db2.gz JGPRMBIFSJVHRZ-UHFFFAOYSA-N 2 2 331.416 3.184 20 5 EGBDLP C[NH+](CCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000353571953 456771751 /nfs/dbraw/zinc/77/17/51/456771751.db2.gz JGPRMBIFSJVHRZ-UHFFFAOYSA-N 2 2 331.416 3.184 20 5 EGBDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCc1ccc([N+](=O)[O-])cc1 ZINC000353571953 456771757 /nfs/dbraw/zinc/77/17/57/456771757.db2.gz JGPRMBIFSJVHRZ-UHFFFAOYSA-N 2 2 331.416 3.184 20 5 EGBDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCc1ccc([N+](=O)[O-])cc1 ZINC000353571953 456771760 /nfs/dbraw/zinc/77/17/60/456771760.db2.gz JGPRMBIFSJVHRZ-UHFFFAOYSA-N 2 2 331.416 3.184 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366605458 457866901 /nfs/dbraw/zinc/86/69/01/457866901.db2.gz CHQALROUMFXTJB-RDTXWAMCSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366605458 457866912 /nfs/dbraw/zinc/86/69/12/457866912.db2.gz CHQALROUMFXTJB-RDTXWAMCSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366605458 457866918 /nfs/dbraw/zinc/86/69/18/457866918.db2.gz CHQALROUMFXTJB-RDTXWAMCSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366605458 457866922 /nfs/dbraw/zinc/86/69/22/457866922.db2.gz CHQALROUMFXTJB-RDTXWAMCSA-N 2 2 345.443 3.052 20 5 EGBDLP [NH3+]C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000435377191 458126557 /nfs/dbraw/zinc/12/65/57/458126557.db2.gz YZBDJKPGSKZBNT-UHFFFAOYSA-N 2 2 345.374 3.449 20 5 EGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377887650 458564642 /nfs/dbraw/zinc/56/46/42/458564642.db2.gz GLJMCLFPYFRCTL-HNNXBMFYSA-N 2 2 328.416 3.441 20 5 EGBDLP CC(C)c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377887650 458564648 /nfs/dbraw/zinc/56/46/48/458564648.db2.gz GLJMCLFPYFRCTL-HNNXBMFYSA-N 2 2 328.416 3.441 20 5 EGBDLP CCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CC[NH2+]C1 ZINC000469990568 458604778 /nfs/dbraw/zinc/60/47/78/458604778.db2.gz JOBAZWRPXHHKOP-AWEZNQCLSA-N 2 2 329.400 3.429 20 5 EGBDLP CCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CC[NH2+]C1 ZINC000469990568 458604781 /nfs/dbraw/zinc/60/47/81/458604781.db2.gz JOBAZWRPXHHKOP-AWEZNQCLSA-N 2 2 329.400 3.429 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602563386 459999973 /nfs/dbraw/zinc/99/99/73/459999973.db2.gz ZNFCUYJYFDVAOK-GWCFXTLKSA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000602563386 459999981 /nfs/dbraw/zinc/99/99/81/459999981.db2.gz ZNFCUYJYFDVAOK-GWCFXTLKSA-N 2 2 331.338 3.186 20 5 EGBDLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000184266513 533819833 /nfs/dbraw/zinc/81/98/33/533819833.db2.gz IRGYVUZAIPJAFK-WBMJQRKESA-N 2 2 348.378 3.022 20 5 EGBDLP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000184266513 533819841 /nfs/dbraw/zinc/81/98/41/533819841.db2.gz IRGYVUZAIPJAFK-WBMJQRKESA-N 2 2 348.378 3.022 20 5 EGBDLP c1cnc2c(c1)ccc1ccc(C[NH+]3CCC([NH+]4CCC4)CC3)nc12 ZINC001232229050 1376419057 /nfs/dbraw/zinc/41/90/57/1376419057.db2.gz YMBKQEAFHSGCLM-UHFFFAOYSA-N 2 2 332.451 3.453 20 5 EGBDLP C[NH+](C)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169003125 1384085208 /nfs/dbraw/zinc/08/52/08/1384085208.db2.gz NSBRQTXQHIBYBF-DQGUZYCYSA-N 2 2 349.519 3.168 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000276898969 275253912 /nfs/dbraw/zinc/25/39/12/275253912.db2.gz LJDVGZPAWZJEQS-WMLDXEAASA-N 2 2 344.415 3.273 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000276898969 275253913 /nfs/dbraw/zinc/25/39/13/275253913.db2.gz LJDVGZPAWZJEQS-WMLDXEAASA-N 2 2 344.415 3.273 20 5 EGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000289423204 276336754 /nfs/dbraw/zinc/33/67/54/276336754.db2.gz QTZCWVLTTGEIAH-UHFFFAOYSA-N 2 2 345.374 3.481 20 5 EGBDLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000332401374 308836430 /nfs/dbraw/zinc/83/64/30/308836430.db2.gz VPBXBPBSWHHROD-INIZCTEOSA-N 2 2 340.427 3.490 20 5 EGBDLP C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000415128459 309122354 /nfs/dbraw/zinc/12/23/54/309122354.db2.gz NYJWRSWRLIKHQU-TZMCWYRMSA-N 2 2 346.456 3.135 20 5 EGBDLP C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000415128459 309122355 /nfs/dbraw/zinc/12/23/55/309122355.db2.gz NYJWRSWRLIKHQU-TZMCWYRMSA-N 2 2 346.456 3.135 20 5 EGBDLP CCc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423205657 309390294 /nfs/dbraw/zinc/39/02/94/309390294.db2.gz FJTOKYXYEWRXOO-KUHUBIRLSA-N 2 2 343.427 3.429 20 5 EGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423517123 309404299 /nfs/dbraw/zinc/40/42/99/309404299.db2.gz YORNETTVBMTEKO-KBXCAEBGSA-N 2 2 327.428 3.378 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000449061247 310033858 /nfs/dbraw/zinc/03/38/58/310033858.db2.gz IASXKDPZADYPHQ-LPHOPBHVSA-N 2 2 341.455 3.288 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000449087181 310035954 /nfs/dbraw/zinc/03/59/54/310035954.db2.gz UTBIQSNSZGOSAZ-APWZRJJASA-N 2 2 341.455 3.288 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000514837219 312248081 /nfs/dbraw/zinc/24/80/81/312248081.db2.gz OAAAQAHFBNMFPQ-JKSUJKDBSA-N 2 2 347.459 3.149 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000514837219 312248082 /nfs/dbraw/zinc/24/80/82/312248082.db2.gz OAAAQAHFBNMFPQ-JKSUJKDBSA-N 2 2 347.459 3.149 20 5 EGBDLP C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000380041785 324243225 /nfs/dbraw/zinc/24/32/25/324243225.db2.gz SBIIBTROYVRIFR-DNVCBOLYSA-N 2 2 325.412 3.347 20 5 EGBDLP C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000380041785 324243228 /nfs/dbraw/zinc/24/32/28/324243228.db2.gz SBIIBTROYVRIFR-DNVCBOLYSA-N 2 2 325.412 3.347 20 5 EGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000237956107 455237359 /nfs/dbraw/zinc/23/73/59/455237359.db2.gz GHFOAWRBZQPUAY-UHFFFAOYSA-N 2 2 328.397 3.310 20 5 EGBDLP O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000056494705 454061685 /nfs/dbraw/zinc/06/16/85/454061685.db2.gz AUXOSQJAJRDXEC-UHFFFAOYSA-N 2 2 347.459 3.314 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000283311514 456756642 /nfs/dbraw/zinc/75/66/42/456756642.db2.gz ZAOMKWDAQBHOGE-RHSMWYFYSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000283311514 456756645 /nfs/dbraw/zinc/75/66/45/456756645.db2.gz ZAOMKWDAQBHOGE-RHSMWYFYSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000283311514 456756650 /nfs/dbraw/zinc/75/66/50/456756650.db2.gz ZAOMKWDAQBHOGE-RHSMWYFYSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000283311514 456756654 /nfs/dbraw/zinc/75/66/54/456756654.db2.gz ZAOMKWDAQBHOGE-RHSMWYFYSA-N 2 2 333.407 3.183 20 5 EGBDLP Cc1cc(N[C@@H](C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301109099 456800129 /nfs/dbraw/zinc/80/01/29/456800129.db2.gz MKMMVYSTUCGXCS-LBPRGKRZSA-N 2 2 329.404 3.112 20 5 EGBDLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517173 457091290 /nfs/dbraw/zinc/09/12/90/457091290.db2.gz MXVWVLOFACGGOP-MOPGFXCFSA-N 2 2 349.475 3.382 20 5 EGBDLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517173 457091297 /nfs/dbraw/zinc/09/12/97/457091297.db2.gz MXVWVLOFACGGOP-MOPGFXCFSA-N 2 2 349.475 3.382 20 5 EGBDLP C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406031154 457554710 /nfs/dbraw/zinc/55/47/10/457554710.db2.gz NBHNKWMHTQXSKN-LJQANCHMSA-N 2 2 325.412 3.349 20 5 EGBDLP C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406031154 457554719 /nfs/dbraw/zinc/55/47/19/457554719.db2.gz NBHNKWMHTQXSKN-LJQANCHMSA-N 2 2 325.412 3.349 20 5 EGBDLP Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cccc1[N+](=O)[O-] ZINC000370669854 457696361 /nfs/dbraw/zinc/69/63/61/457696361.db2.gz RTRHPRFKXDUXHA-CQSZACIVSA-N 2 2 337.383 3.335 20 5 EGBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281110 457797165 /nfs/dbraw/zinc/79/71/65/457797165.db2.gz HJDXZADDTWBSKU-RDTXWAMCSA-N 2 2 347.459 3.018 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000595015201 459216710 /nfs/dbraw/zinc/21/67/10/459216710.db2.gz YKPDTLOUAMGULT-ZDUSSCGKSA-N 2 2 330.388 3.151 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000595015199 459217227 /nfs/dbraw/zinc/21/72/27/459217227.db2.gz YKPDTLOUAMGULT-CYBMUJFWSA-N 2 2 330.388 3.151 20 5 EGBDLP CC[NH+](CC)CCC[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602662998 460052711 /nfs/dbraw/zinc/05/27/11/460052711.db2.gz QOMMWWONFSNONJ-UHFFFAOYSA-N 2 2 334.420 3.290 20 5 EGBDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602662998 460052717 /nfs/dbraw/zinc/05/27/17/460052717.db2.gz QOMMWWONFSNONJ-UHFFFAOYSA-N 2 2 334.420 3.290 20 5 EGBDLP C[NH+]1CCC([N@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccco2)CC1 ZINC000602668847 460056119 /nfs/dbraw/zinc/05/61/19/460056119.db2.gz VCTYBEUCXYBPBJ-UHFFFAOYSA-N 2 2 343.427 3.327 20 5 EGBDLP C[NH+]1CCC([N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccco2)CC1 ZINC000602668847 460056125 /nfs/dbraw/zinc/05/61/25/460056125.db2.gz VCTYBEUCXYBPBJ-UHFFFAOYSA-N 2 2 343.427 3.327 20 5 EGBDLP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCC1 ZINC000765254624 1302229321 /nfs/dbraw/zinc/22/93/21/1302229321.db2.gz ZPAIGMLDPCFAAS-INIZCTEOSA-N 2 2 346.475 3.028 20 5 EGBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000767757126 1302757833 /nfs/dbraw/zinc/75/78/33/1302757833.db2.gz WGWGJZTVHKGFLB-UHFFFAOYSA-N 2 2 347.400 3.048 20 5 EGBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000767757126 1302757837 /nfs/dbraw/zinc/75/78/37/1302757837.db2.gz WGWGJZTVHKGFLB-UHFFFAOYSA-N 2 2 347.400 3.048 20 5 EGBDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848522176 1321968669 /nfs/dbraw/zinc/96/86/69/1321968669.db2.gz VETABKKXRNOCPU-RDJZCZTQSA-N 2 2 328.416 3.483 20 5 EGBDLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211755549 1372612398 /nfs/dbraw/zinc/61/23/98/1372612398.db2.gz SDQXPXBQEIJGJZ-ROUUACIJSA-N 2 2 330.391 3.057 20 5 EGBDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992767 1384081196 /nfs/dbraw/zinc/08/11/96/1384081196.db2.gz KOAUDPPOFGMGMX-CRAIPNDOSA-N 2 2 349.450 3.134 20 5 EGBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC001322848398 1387245615 /nfs/dbraw/zinc/24/56/15/1387245615.db2.gz XSZUWVGIWFINFN-UHFFFAOYSA-N 2 2 337.339 3.045 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189355 224216491 /nfs/dbraw/zinc/21/64/91/224216491.db2.gz IDYUZBQOMZKJQI-YDHLFZDLSA-N 2 2 333.432 3.269 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189355 224216493 /nfs/dbraw/zinc/21/64/93/224216493.db2.gz IDYUZBQOMZKJQI-YDHLFZDLSA-N 2 2 333.432 3.269 20 5 EGBDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178646540 533340529 /nfs/dbraw/zinc/34/05/29/533340529.db2.gz PCGFEBMTWUZRLJ-OAHLLOKOSA-N 2 2 340.427 3.305 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000367438315 168225610 /nfs/dbraw/zinc/22/56/10/168225610.db2.gz MEOFCSTZFAPOOS-QGZVFWFLSA-N 2 2 340.427 3.239 20 5 EGBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270047007 266408137 /nfs/dbraw/zinc/40/81/37/266408137.db2.gz UCVBYYKERUZYBF-INMHGKMJSA-N 2 2 328.416 3.181 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CCC2 ZINC000373921241 275038475 /nfs/dbraw/zinc/03/84/75/275038475.db2.gz IHWZCGBDGXWZKI-GOSISDBHSA-N 2 2 349.394 3.343 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000279556969 275339886 /nfs/dbraw/zinc/33/98/86/275339886.db2.gz RKLAQOBEFPLHQX-UONOGXRCSA-N 2 2 343.349 3.330 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000279556969 275339888 /nfs/dbraw/zinc/33/98/88/275339888.db2.gz RKLAQOBEFPLHQX-UONOGXRCSA-N 2 2 343.349 3.330 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423430165 309400123 /nfs/dbraw/zinc/40/01/23/309400123.db2.gz POCIXDQLGHPFJH-KSSFIOAISA-N 2 2 325.412 3.002 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158961602 455341110 /nfs/dbraw/zinc/34/11/10/455341110.db2.gz XRPMQAXQOVAWDM-CRAIPNDOSA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158961602 455341114 /nfs/dbraw/zinc/34/11/14/455341114.db2.gz XRPMQAXQOVAWDM-CRAIPNDOSA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158961602 455341119 /nfs/dbraw/zinc/34/11/19/455341119.db2.gz XRPMQAXQOVAWDM-CRAIPNDOSA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158961602 455341122 /nfs/dbraw/zinc/34/11/22/455341122.db2.gz XRPMQAXQOVAWDM-CRAIPNDOSA-N 2 2 347.459 3.298 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600722876 460580536 /nfs/dbraw/zinc/58/05/36/460580536.db2.gz RNYFTDPWZIDKFU-HUBLWGQQSA-N 2 2 345.365 3.423 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600722876 460580541 /nfs/dbraw/zinc/58/05/41/460580541.db2.gz RNYFTDPWZIDKFU-HUBLWGQQSA-N 2 2 345.365 3.423 20 5 EGBDLP C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000089903804 454231269 /nfs/dbraw/zinc/23/12/69/454231269.db2.gz QDLSZQCRGUJTGI-AWEZNQCLSA-N 2 2 344.415 3.023 20 5 EGBDLP C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000089903804 454231272 /nfs/dbraw/zinc/23/12/72/454231272.db2.gz QDLSZQCRGUJTGI-AWEZNQCLSA-N 2 2 344.415 3.023 20 5 EGBDLP C[NH+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000089903804 454231274 /nfs/dbraw/zinc/23/12/74/454231274.db2.gz QDLSZQCRGUJTGI-AWEZNQCLSA-N 2 2 344.415 3.023 20 5 EGBDLP C[NH+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000089903804 454231276 /nfs/dbraw/zinc/23/12/76/454231276.db2.gz QDLSZQCRGUJTGI-AWEZNQCLSA-N 2 2 344.415 3.023 20 5 EGBDLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000267103408 455502216 /nfs/dbraw/zinc/50/22/16/455502216.db2.gz ZXXZMYVSIDVEFF-OAHLLOKOSA-N 2 2 335.448 3.135 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000179435539 455047821 /nfs/dbraw/zinc/04/78/21/455047821.db2.gz QOJDXPIZZJPBMM-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000179435539 455047823 /nfs/dbraw/zinc/04/78/23/455047823.db2.gz QOJDXPIZZJPBMM-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000285579812 455874864 /nfs/dbraw/zinc/87/48/64/455874864.db2.gz KEELKQUAHXQGBT-ZBEGNZNMSA-N 2 2 336.342 3.153 20 5 EGBDLP C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000285579812 455874869 /nfs/dbraw/zinc/87/48/69/455874869.db2.gz KEELKQUAHXQGBT-ZBEGNZNMSA-N 2 2 336.342 3.153 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000298063920 456356704 /nfs/dbraw/zinc/35/67/04/456356704.db2.gz KISHTFQWFCJXDC-UHFFFAOYSA-N 2 2 343.349 3.330 20 5 EGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339130911 456955362 /nfs/dbraw/zinc/95/53/62/456955362.db2.gz GEZAEXLLVLLWMY-UHFFFAOYSA-N 2 2 343.383 3.047 20 5 EGBDLP CCC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517174 457091348 /nfs/dbraw/zinc/09/13/48/457091348.db2.gz MXVWVLOFACGGOP-OALUTQOASA-N 2 2 349.475 3.382 20 5 EGBDLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517174 457091354 /nfs/dbraw/zinc/09/13/54/457091354.db2.gz MXVWVLOFACGGOP-OALUTQOASA-N 2 2 349.475 3.382 20 5 EGBDLP Cc1cc(NCc2cn3ccccc3[nH+]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360947801 457455998 /nfs/dbraw/zinc/45/59/98/457455998.db2.gz XQSBOHOTGGLOQV-UHFFFAOYSA-N 2 2 333.351 3.133 20 5 EGBDLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000594738695 459147644 /nfs/dbraw/zinc/14/76/44/459147644.db2.gz LULYWSFHXCLOJB-QZTJIDSGSA-N 2 2 343.402 3.278 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000595009705 459214549 /nfs/dbraw/zinc/21/45/49/459214549.db2.gz CXNOUDRERYLRBS-LSDHHAIUSA-N 2 2 335.448 3.374 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000595009705 459214552 /nfs/dbraw/zinc/21/45/52/459214552.db2.gz CXNOUDRERYLRBS-LSDHHAIUSA-N 2 2 335.448 3.374 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000534329402 459315797 /nfs/dbraw/zinc/31/57/97/459315797.db2.gz QPRIWOYTEZUGQQ-LSDHHAIUSA-N 2 2 337.489 3.397 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000534329402 459315800 /nfs/dbraw/zinc/31/58/00/459315800.db2.gz QPRIWOYTEZUGQQ-LSDHHAIUSA-N 2 2 337.489 3.397 20 5 EGBDLP O=[N+]([O-])c1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000595509988 459330702 /nfs/dbraw/zinc/33/07/02/459330702.db2.gz IMARSDZTGCHCQA-UHFFFAOYSA-N 2 2 325.412 3.349 20 5 EGBDLP O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000609222596 459927770 /nfs/dbraw/zinc/92/77/70/459927770.db2.gz SRRLWLOJEMQEKS-UHFFFAOYSA-N 2 2 340.358 3.252 20 5 EGBDLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562834 1319016282 /nfs/dbraw/zinc/01/62/82/1319016282.db2.gz NLPACURUUCZVPG-MLGOLLRUSA-N 2 2 331.420 3.139 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000131213242 162393923 /nfs/dbraw/zinc/39/39/23/162393923.db2.gz ZJONKRVTKCLRFB-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000131213242 162393925 /nfs/dbraw/zinc/39/39/25/162393925.db2.gz ZJONKRVTKCLRFB-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000375323178 275038505 /nfs/dbraw/zinc/03/85/05/275038505.db2.gz YOBAXVXFGNABMP-QGZVFWFLSA-N 2 2 326.400 3.295 20 5 EGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000278755754 275271987 /nfs/dbraw/zinc/27/19/87/275271987.db2.gz SOFSLKRYLKIIFI-UHFFFAOYSA-N 2 2 327.384 3.342 20 5 EGBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423365740 309397260 /nfs/dbraw/zinc/39/72/60/309397260.db2.gz POPQULUUHXLUNA-IEBWSBKVSA-N 2 2 325.412 3.416 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000449061250 310033973 /nfs/dbraw/zinc/03/39/73/310033973.db2.gz IASXKDPZADYPHQ-VQIMIIECSA-N 2 2 341.455 3.288 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000449061248 310033978 /nfs/dbraw/zinc/03/39/78/310033978.db2.gz IASXKDPZADYPHQ-QFBILLFUSA-N 2 2 341.455 3.288 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119576591 454205144 /nfs/dbraw/zinc/20/51/44/454205144.db2.gz UWBGKSTWQWVFAM-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119576591 454205149 /nfs/dbraw/zinc/20/51/49/454205149.db2.gz UWBGKSTWQWVFAM-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000271203324 456172365 /nfs/dbraw/zinc/17/23/65/456172365.db2.gz ZSHAHOBOKOVLOT-DVOMOZLQSA-N 2 2 333.432 3.127 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000271203324 456172370 /nfs/dbraw/zinc/17/23/70/456172370.db2.gz ZSHAHOBOKOVLOT-DVOMOZLQSA-N 2 2 333.432 3.127 20 5 EGBDLP Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301839006 456230095 /nfs/dbraw/zinc/23/00/95/456230095.db2.gz XFPDOPFROIGQMA-AWEZNQCLSA-N 2 2 341.415 3.114 20 5 EGBDLP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301839006 456230101 /nfs/dbraw/zinc/23/01/01/456230101.db2.gz XFPDOPFROIGQMA-AWEZNQCLSA-N 2 2 341.415 3.114 20 5 EGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000290836910 456442145 /nfs/dbraw/zinc/44/21/45/456442145.db2.gz INDBGRIREIJFHB-SNVBAGLBSA-N 2 2 344.242 3.476 20 5 EGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000290836910 456442152 /nfs/dbraw/zinc/44/21/52/456442152.db2.gz INDBGRIREIJFHB-SNVBAGLBSA-N 2 2 344.242 3.476 20 5 EGBDLP CCOc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000276987874 456642632 /nfs/dbraw/zinc/64/26/32/456642632.db2.gz ZNGZLBDPEOOKER-UHFFFAOYSA-N 2 2 330.388 3.027 20 5 EGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926564 457105247 /nfs/dbraw/zinc/10/52/47/457105247.db2.gz IWBFBKFXQFNPID-TZMCWYRMSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926564 457105253 /nfs/dbraw/zinc/10/52/53/457105253.db2.gz IWBFBKFXQFNPID-TZMCWYRMSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926564 457105256 /nfs/dbraw/zinc/10/52/56/457105256.db2.gz IWBFBKFXQFNPID-TZMCWYRMSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926564 457105261 /nfs/dbraw/zinc/10/52/61/457105261.db2.gz IWBFBKFXQFNPID-TZMCWYRMSA-N 2 2 339.411 3.047 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366605456 457867352 /nfs/dbraw/zinc/86/73/52/457867352.db2.gz CHQALROUMFXTJB-KDOFPFPSSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366605456 457867356 /nfs/dbraw/zinc/86/73/56/457867356.db2.gz CHQALROUMFXTJB-KDOFPFPSSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366605456 457867360 /nfs/dbraw/zinc/86/73/60/457867360.db2.gz CHQALROUMFXTJB-KDOFPFPSSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366605456 457867364 /nfs/dbraw/zinc/86/73/64/457867364.db2.gz CHQALROUMFXTJB-KDOFPFPSSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])o2)c([N+](=O)[O-])c1 ZINC000424365662 458626828 /nfs/dbraw/zinc/62/68/28/458626828.db2.gz HGSSQNKXCALBAW-HZPDHXFCSA-N 2 2 345.399 3.223 20 5 EGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)c1 ZINC000494444969 458678261 /nfs/dbraw/zinc/67/82/61/458678261.db2.gz OJXYXLQSKXTIEH-CQSZACIVSA-N 2 2 338.367 3.156 20 5 EGBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203026 458812124 /nfs/dbraw/zinc/81/21/24/458812124.db2.gz UOTNQQOPKSAIEV-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203026 458812129 /nfs/dbraw/zinc/81/21/29/458812129.db2.gz UOTNQQOPKSAIEV-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203026 458812133 /nfs/dbraw/zinc/81/21/33/458812133.db2.gz UOTNQQOPKSAIEV-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203026 458812135 /nfs/dbraw/zinc/81/21/35/458812135.db2.gz UOTNQQOPKSAIEV-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556924308 459033923 /nfs/dbraw/zinc/03/39/23/459033923.db2.gz QROBGEPSYXVTDA-ROUUACIJSA-N 2 2 331.460 3.380 20 5 EGBDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556924308 459033926 /nfs/dbraw/zinc/03/39/26/459033926.db2.gz QROBGEPSYXVTDA-ROUUACIJSA-N 2 2 331.460 3.380 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000480266348 459190776 /nfs/dbraw/zinc/19/07/76/459190776.db2.gz OULJHTGDFREAKM-SFHVURJKSA-N 2 2 331.460 3.382 20 5 EGBDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613963 459207856 /nfs/dbraw/zinc/20/78/56/459207856.db2.gz NMLFJYXBWOBZDM-CRAIPNDOSA-N 2 2 331.460 3.237 20 5 EGBDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613963 459207862 /nfs/dbraw/zinc/20/78/62/459207862.db2.gz NMLFJYXBWOBZDM-CRAIPNDOSA-N 2 2 331.460 3.237 20 5 EGBDLP O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000597138310 459849323 /nfs/dbraw/zinc/84/93/23/459849323.db2.gz PRCMAYSBQKZFSK-OAHLLOKOSA-N 2 2 326.400 3.117 20 5 EGBDLP O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000597138310 459849329 /nfs/dbraw/zinc/84/93/29/459849329.db2.gz PRCMAYSBQKZFSK-OAHLLOKOSA-N 2 2 326.400 3.117 20 5 EGBDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602519556 459979564 /nfs/dbraw/zinc/97/95/64/459979564.db2.gz HOECMBJWXUZBQG-NSHDSACASA-N 2 2 331.338 3.045 20 5 EGBDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602519556 459979571 /nfs/dbraw/zinc/97/95/71/459979571.db2.gz HOECMBJWXUZBQG-NSHDSACASA-N 2 2 331.338 3.045 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000602518189 459979633 /nfs/dbraw/zinc/97/96/33/459979633.db2.gz LSDPRHZRYBTPBY-UHFFFAOYSA-N 2 2 342.321 3.380 20 5 EGBDLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601164703 460737146 /nfs/dbraw/zinc/73/71/46/460737146.db2.gz FHZBPJCIDLZOEK-ZFWWWQNUSA-N 2 2 326.400 3.206 20 5 EGBDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589016 1305975653 /nfs/dbraw/zinc/97/56/53/1305975653.db2.gz POKFZTHSYBTIDT-ZDUSSCGKSA-N 2 2 329.404 3.115 20 5 EGBDLP [NH3+][C@H]1C[C@@H](O)C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957267 1370614944 /nfs/dbraw/zinc/61/49/44/1370614944.db2.gz QPJJZABVAHGXPQ-RBUKOAKNSA-N 2 2 330.431 3.478 20 5 EGBDLP [NH3+][C@H]1C[C@@H](O)C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957267 1370614951 /nfs/dbraw/zinc/61/49/51/1370614951.db2.gz QPJJZABVAHGXPQ-RBUKOAKNSA-N 2 2 330.431 3.478 20 5 EGBDLP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc[nH+]c1N ZINC001212405974 1372701177 /nfs/dbraw/zinc/70/11/77/1372701177.db2.gz PWNTUEHXXQAHMR-UHFFFAOYSA-N 2 2 345.406 3.221 20 5 EGBDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990715 1384080046 /nfs/dbraw/zinc/08/00/46/1384080046.db2.gz DRCWPYLLIRDZTI-DNVCBOLYSA-N 2 2 349.450 3.134 20 5 EGBDLP COc1ccc(C[C@H](C)n2cc[nH+]c2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170353094 1384299062 /nfs/dbraw/zinc/29/90/62/1384299062.db2.gz VQRRDNRIVBPPLI-ZFWWWQNUSA-N 2 2 344.415 3.071 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)cc1 ZINC000131009460 223196033 /nfs/dbraw/zinc/19/60/33/223196033.db2.gz WMKMIMLFARRYHM-UHFFFAOYSA-N 2 2 349.394 3.340 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)cc1 ZINC000131009460 223196036 /nfs/dbraw/zinc/19/60/36/223196036.db2.gz WMKMIMLFARRYHM-UHFFFAOYSA-N 2 2 349.394 3.340 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+][C@H](C[NH3+])CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000414840648 309104953 /nfs/dbraw/zinc/10/49/53/309104953.db2.gz MPMGONNFNRZUBD-ZDUSSCGKSA-N 2 2 347.415 3.326 20 5 EGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCCCCC[NH+]3CCCC3)c2c1 ZINC000413299861 309025799 /nfs/dbraw/zinc/02/57/99/309025799.db2.gz OZTIOHBKOQUPPD-UHFFFAOYSA-N 2 2 328.416 3.243 20 5 EGBDLP C[N@H+](CC[NH3+])Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000415100963 309120450 /nfs/dbraw/zinc/12/04/50/309120450.db2.gz BDCJAEWQMOHHSU-UHFFFAOYSA-N 2 2 335.791 3.431 20 5 EGBDLP C[N@@H+](CC[NH3+])Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000415100963 309120451 /nfs/dbraw/zinc/12/04/51/309120451.db2.gz BDCJAEWQMOHHSU-UHFFFAOYSA-N 2 2 335.791 3.431 20 5 EGBDLP CCc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423281091 309393828 /nfs/dbraw/zinc/39/38/28/309393828.db2.gz VKLQJOPWTZRGRT-UGSOOPFHSA-N 2 2 331.416 3.285 20 5 EGBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000264732836 455272508 /nfs/dbraw/zinc/27/25/08/455272508.db2.gz HWUABXCOLYGYPQ-LJQANCHMSA-N 2 2 333.479 3.328 20 5 EGBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000264732836 455272510 /nfs/dbraw/zinc/27/25/10/455272510.db2.gz HWUABXCOLYGYPQ-LJQANCHMSA-N 2 2 333.479 3.328 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150829877 454899075 /nfs/dbraw/zinc/89/90/75/454899075.db2.gz NUWMBGFZZKMHOX-INIZCTEOSA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150829877 454899076 /nfs/dbraw/zinc/89/90/76/454899076.db2.gz NUWMBGFZZKMHOX-INIZCTEOSA-N 2 2 347.459 3.300 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674823 455593652 /nfs/dbraw/zinc/59/36/52/455593652.db2.gz JRAODSGCPIJFKM-HUUCEWRRSA-N 2 2 347.459 3.346 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674823 455593654 /nfs/dbraw/zinc/59/36/54/455593654.db2.gz JRAODSGCPIJFKM-HUUCEWRRSA-N 2 2 347.459 3.346 20 5 EGBDLP C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738035 455610672 /nfs/dbraw/zinc/61/06/72/455610672.db2.gz BXLABLSQRYHUNK-UONOGXRCSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738035 455610676 /nfs/dbraw/zinc/61/06/76/455610676.db2.gz BXLABLSQRYHUNK-UONOGXRCSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270047003 455864299 /nfs/dbraw/zinc/86/42/99/455864299.db2.gz UCVBYYKERUZYBF-BFYDXBDKSA-N 2 2 328.416 3.181 20 5 EGBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270047008 455864326 /nfs/dbraw/zinc/86/43/26/455864326.db2.gz UCVBYYKERUZYBF-VYDXJSESSA-N 2 2 328.416 3.181 20 5 EGBDLP O=[N+]([O-])c1cccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272900282 456106442 /nfs/dbraw/zinc/10/64/42/456106442.db2.gz PRSIAFVXCYWFLC-UHFFFAOYSA-N 2 2 345.365 3.144 20 5 EGBDLP Cc1c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000358302981 457921589 /nfs/dbraw/zinc/92/15/89/457921589.db2.gz AFRBWIJBEJMING-UHFFFAOYSA-N 2 2 340.427 3.052 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435392029 458135425 /nfs/dbraw/zinc/13/54/25/458135425.db2.gz VKQSUEQYQVVRPQ-SFHVURJKSA-N 2 2 340.427 3.134 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435392029 458135430 /nfs/dbraw/zinc/13/54/30/458135430.db2.gz VKQSUEQYQVVRPQ-SFHVURJKSA-N 2 2 340.427 3.134 20 5 EGBDLP CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000480913390 459223742 /nfs/dbraw/zinc/22/37/42/459223742.db2.gz SVIWUMAHVANYRZ-UHFFFAOYSA-N 2 2 325.840 3.460 20 5 EGBDLP Cc1[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)[nH+]c1C ZINC000886662638 1303544113 /nfs/dbraw/zinc/54/41/13/1303544113.db2.gz IODZDAFSPCUOCP-UHFFFAOYSA-N 2 2 332.379 3.453 20 5 EGBDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990714 1384080257 /nfs/dbraw/zinc/08/02/57/1384080257.db2.gz DRCWPYLLIRDZTI-BEFAXECRSA-N 2 2 349.450 3.134 20 5 EGBDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903483 1384874747 /nfs/dbraw/zinc/87/47/47/1384874747.db2.gz GSGWHGVSDCRETF-MSOLQXFVSA-N 2 2 331.460 3.162 20 5 EGBDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903483 1384874754 /nfs/dbraw/zinc/87/47/54/1384874754.db2.gz GSGWHGVSDCRETF-MSOLQXFVSA-N 2 2 331.460 3.162 20 5 EGBDLP Cc1[nH+]cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1CSCC[NH3+] ZINC001173235456 1384941947 /nfs/dbraw/zinc/94/19/47/1384941947.db2.gz SWKCKAHFZSSSTN-LBPRGKRZSA-N 2 2 334.445 3.095 20 5 EGBDLP C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cn1cc[nH+]c1 ZINC000171051847 226858093 /nfs/dbraw/zinc/85/80/93/226858093.db2.gz DWRIKVJSAJFTER-CQSZACIVSA-N 2 2 340.383 3.477 20 5 EGBDLP CN(c1ccccc1)c1ccc(C[NH2+]CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414871132 309106519 /nfs/dbraw/zinc/10/65/19/309106519.db2.gz CZJPPZRTCJPCPY-UHFFFAOYSA-N 2 2 340.427 3.334 20 5 EGBDLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414892610 309107778 /nfs/dbraw/zinc/10/77/78/309107778.db2.gz QHCJBOPMWRISIS-KRWDZBQOSA-N 2 2 340.427 3.190 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449063785 310034143 /nfs/dbraw/zinc/03/41/43/310034143.db2.gz NUPRNBNDIGYYLI-APWZRJJASA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449063785 310034144 /nfs/dbraw/zinc/03/41/44/310034144.db2.gz NUPRNBNDIGYYLI-APWZRJJASA-N 2 2 339.439 3.390 20 5 EGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449166081 310041702 /nfs/dbraw/zinc/04/17/02/310041702.db2.gz BSILXJUIGSJUHE-BBRMVZONSA-N 2 2 328.416 3.198 20 5 EGBDLP CC1CC[NH+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000480608591 310897553 /nfs/dbraw/zinc/89/75/53/310897553.db2.gz KHSHZHCJCKGOQB-SFHVURJKSA-N 2 2 331.460 3.237 20 5 EGBDLP Cc1cc[nH+]c(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000510520614 312142215 /nfs/dbraw/zinc/14/22/15/312142215.db2.gz YTMLRTCKFHYMIB-XQRVVYSFSA-N 2 2 338.411 3.134 20 5 EGBDLP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600778210 460599485 /nfs/dbraw/zinc/59/94/85/460599485.db2.gz WSZULTBBCXOUBI-BDSSXFGHSA-N 2 2 343.349 3.067 20 5 EGBDLP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600778210 460599493 /nfs/dbraw/zinc/59/94/93/460599493.db2.gz WSZULTBBCXOUBI-BDSSXFGHSA-N 2 2 343.349 3.067 20 5 EGBDLP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600778214 460600129 /nfs/dbraw/zinc/60/01/29/460600129.db2.gz WSZULTBBCXOUBI-JRFBKZHLSA-N 2 2 343.349 3.067 20 5 EGBDLP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600778214 460600134 /nfs/dbraw/zinc/60/01/34/460600134.db2.gz WSZULTBBCXOUBI-JRFBKZHLSA-N 2 2 343.349 3.067 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000237288566 455168530 /nfs/dbraw/zinc/16/85/30/455168530.db2.gz OUAVZAMQYAAGAX-ZDUSSCGKSA-N 2 2 347.415 3.293 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000175280820 455433767 /nfs/dbraw/zinc/43/37/67/455433767.db2.gz GRYXSATVYNCKEF-HNNXBMFYSA-N 2 2 335.448 3.157 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000175280820 455433772 /nfs/dbraw/zinc/43/37/72/455433772.db2.gz GRYXSATVYNCKEF-HNNXBMFYSA-N 2 2 335.448 3.157 20 5 EGBDLP Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272788434 456070135 /nfs/dbraw/zinc/07/01/35/456070135.db2.gz BTKVNCWLGUXLPJ-UHFFFAOYSA-N 2 2 349.394 3.173 20 5 EGBDLP Cc1cc(NCC[N@@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301562192 456147542 /nfs/dbraw/zinc/14/75/42/456147542.db2.gz OYZWRCTVPUDSBL-UHFFFAOYSA-N 2 2 329.404 3.112 20 5 EGBDLP Cc1cc(NCC[N@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301562192 456147544 /nfs/dbraw/zinc/14/75/44/456147544.db2.gz OYZWRCTVPUDSBL-UHFFFAOYSA-N 2 2 329.404 3.112 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000271203327 456171574 /nfs/dbraw/zinc/17/15/74/456171574.db2.gz ZSHAHOBOKOVLOT-XEZPLFJOSA-N 2 2 333.432 3.127 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000271203327 456171580 /nfs/dbraw/zinc/17/15/80/456171580.db2.gz ZSHAHOBOKOVLOT-XEZPLFJOSA-N 2 2 333.432 3.127 20 5 EGBDLP Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301802068 456217954 /nfs/dbraw/zinc/21/79/54/456217954.db2.gz ADAACCDBEGYYSY-CYBMUJFWSA-N 2 2 341.415 3.255 20 5 EGBDLP Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301802068 456217959 /nfs/dbraw/zinc/21/79/59/456217959.db2.gz ADAACCDBEGYYSY-CYBMUJFWSA-N 2 2 341.415 3.255 20 5 EGBDLP CC1(C)C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433064481 457657595 /nfs/dbraw/zinc/65/75/95/457657595.db2.gz AZBPHBANXRKJGL-MLGOLLRUSA-N 2 2 326.400 3.118 20 5 EGBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087709 458796481 /nfs/dbraw/zinc/79/64/81/458796481.db2.gz KXWMKZNMUWQWEB-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087709 458796484 /nfs/dbraw/zinc/79/64/84/458796484.db2.gz KXWMKZNMUWQWEB-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087709 458796489 /nfs/dbraw/zinc/79/64/89/458796489.db2.gz KXWMKZNMUWQWEB-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087709 458796493 /nfs/dbraw/zinc/79/64/93/458796493.db2.gz KXWMKZNMUWQWEB-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000531684708 458960208 /nfs/dbraw/zinc/96/02/08/458960208.db2.gz RRYVQDVGBGHNOQ-KRWDZBQOSA-N 2 2 328.416 3.182 20 5 EGBDLP COc1ccc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000558415959 459155000 /nfs/dbraw/zinc/15/50/00/459155000.db2.gz FRYNSBRPSIIZCK-UHFFFAOYSA-N 2 2 347.415 3.247 20 5 EGBDLP COc1ccc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000558415959 459155005 /nfs/dbraw/zinc/15/50/05/459155005.db2.gz FRYNSBRPSIIZCK-UHFFFAOYSA-N 2 2 347.415 3.247 20 5 EGBDLP CC[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000592427765 459598299 /nfs/dbraw/zinc/59/82/99/459598299.db2.gz ZPVAIOXJHSZGAC-LRDDRELGSA-N 2 2 346.456 3.278 20 5 EGBDLP CC[C@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000592427765 459598301 /nfs/dbraw/zinc/59/83/01/459598301.db2.gz ZPVAIOXJHSZGAC-LRDDRELGSA-N 2 2 346.456 3.278 20 5 EGBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480863 459959330 /nfs/dbraw/zinc/95/93/30/459959330.db2.gz ZPXLWBITOJYJJN-GFCCVEGCSA-N 2 2 345.365 3.387 20 5 EGBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480863 459959337 /nfs/dbraw/zinc/95/93/37/459959337.db2.gz ZPXLWBITOJYJJN-GFCCVEGCSA-N 2 2 345.365 3.387 20 5 EGBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480863 459959342 /nfs/dbraw/zinc/95/93/42/459959342.db2.gz ZPXLWBITOJYJJN-GFCCVEGCSA-N 2 2 345.365 3.387 20 5 EGBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480863 459959350 /nfs/dbraw/zinc/95/93/50/459959350.db2.gz ZPXLWBITOJYJJN-GFCCVEGCSA-N 2 2 345.365 3.387 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000602593175 460014760 /nfs/dbraw/zinc/01/47/60/460014760.db2.gz MXNQUKGIFIHVLU-UHFFFAOYSA-N 2 2 331.338 3.189 20 5 EGBDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000902438876 1317579171 /nfs/dbraw/zinc/57/91/71/1317579171.db2.gz OABAQVYIAZSIDE-NLWGTHIKSA-N 2 2 337.423 3.130 20 5 EGBDLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956862 1384070304 /nfs/dbraw/zinc/07/03/04/1384070304.db2.gz CEUGXWKMYRNYNX-XWPNQZOQSA-N 2 2 339.439 3.463 20 5 EGBDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997106 1384081641 /nfs/dbraw/zinc/08/16/41/1384081641.db2.gz XSZVTYUGSZEPRS-KXBFYZLASA-N 2 2 349.450 3.134 20 5 EGBDLP Cc1[nH+]ccn1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264999305 247124306 /nfs/dbraw/zinc/12/43/06/247124306.db2.gz YXSRCVHILAOROK-UHFFFAOYSA-N 2 2 343.412 3.013 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000344634197 144202966 /nfs/dbraw/zinc/20/29/66/144202966.db2.gz RQUTVSXNEPGKME-JSGCOSHPSA-N 2 2 346.456 3.291 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000344634197 144202967 /nfs/dbraw/zinc/20/29/67/144202967.db2.gz RQUTVSXNEPGKME-JSGCOSHPSA-N 2 2 346.456 3.291 20 5 EGBDLP Cc1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000326244170 154182467 /nfs/dbraw/zinc/18/24/67/154182467.db2.gz YNYKNZPUSCPDBS-UHFFFAOYSA-N 2 2 326.400 3.057 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000367439879 168225894 /nfs/dbraw/zinc/22/58/94/168225894.db2.gz XZLLYFVXKHEBOF-ZDUSSCGKSA-N 2 2 344.415 3.377 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000279616039 275344202 /nfs/dbraw/zinc/34/42/02/275344202.db2.gz XTVOJSBKMPCBPV-ZWNOBZJWSA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000279616039 275344203 /nfs/dbraw/zinc/34/42/03/275344203.db2.gz XTVOJSBKMPCBPV-ZWNOBZJWSA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000414362635 309075349 /nfs/dbraw/zinc/07/53/49/309075349.db2.gz FKQAVPAFVAPEEO-HNNXBMFYSA-N 2 2 340.427 3.305 20 5 EGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415063981 309117659 /nfs/dbraw/zinc/11/76/59/309117659.db2.gz JMQBOGPNBNZOPT-RUJXFNLJSA-N 2 2 325.412 3.460 20 5 EGBDLP C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000095981735 454249524 /nfs/dbraw/zinc/24/95/24/454249524.db2.gz WSEHOJULVZVPFO-WFASDCNBSA-N 2 2 341.371 3.016 20 5 EGBDLP C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000095981735 454249531 /nfs/dbraw/zinc/24/95/31/454249531.db2.gz WSEHOJULVZVPFO-WFASDCNBSA-N 2 2 341.371 3.016 20 5 EGBDLP C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cn1cc[nH+]c1 ZINC000171051837 455022000 /nfs/dbraw/zinc/02/20/00/455022000.db2.gz HAMXRDLHXXTGLD-AWEZNQCLSA-N 2 2 340.383 3.477 20 5 EGBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985823 456428642 /nfs/dbraw/zinc/42/86/42/456428642.db2.gz LLLRZEDGVBWMFJ-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985823 456428646 /nfs/dbraw/zinc/42/86/46/456428646.db2.gz LLLRZEDGVBWMFJ-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985823 456428654 /nfs/dbraw/zinc/42/86/54/456428654.db2.gz LLLRZEDGVBWMFJ-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985823 456428658 /nfs/dbraw/zinc/42/86/58/456428658.db2.gz LLLRZEDGVBWMFJ-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP CC[NH+]1CCC(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299395940 456679778 /nfs/dbraw/zinc/67/97/78/456679778.db2.gz UIPWGGGPFKWLPX-UHFFFAOYSA-N 2 2 341.415 3.256 20 5 EGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926563 457105564 /nfs/dbraw/zinc/10/55/64/457105564.db2.gz IWBFBKFXQFNPID-OCCSQVGLSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926563 457105568 /nfs/dbraw/zinc/10/55/68/457105568.db2.gz IWBFBKFXQFNPID-OCCSQVGLSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926563 457105574 /nfs/dbraw/zinc/10/55/74/457105574.db2.gz IWBFBKFXQFNPID-OCCSQVGLSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926563 457105579 /nfs/dbraw/zinc/10/55/79/457105579.db2.gz IWBFBKFXQFNPID-OCCSQVGLSA-N 2 2 339.411 3.047 20 5 EGBDLP O=[N+]([O-])c1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361045971 457539777 /nfs/dbraw/zinc/53/97/77/457539777.db2.gz NASBUYDECKMXLI-UHFFFAOYSA-N 2 2 328.416 3.484 20 5 EGBDLP CC1(C)C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433064482 457657618 /nfs/dbraw/zinc/65/76/18/457657618.db2.gz AZBPHBANXRKJGL-WBMJQRKESA-N 2 2 326.400 3.118 20 5 EGBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281106 457797138 /nfs/dbraw/zinc/79/71/38/457797138.db2.gz HJDXZADDTWBSKU-KDOFPFPSSA-N 2 2 347.459 3.018 20 5 EGBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381924 458131217 /nfs/dbraw/zinc/13/12/17/458131217.db2.gz YQQBUZUJYNOARS-TZMCWYRMSA-N 2 2 346.456 3.278 20 5 EGBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381924 458131223 /nfs/dbraw/zinc/13/12/23/458131223.db2.gz YQQBUZUJYNOARS-TZMCWYRMSA-N 2 2 346.456 3.278 20 5 EGBDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057460 459230547 /nfs/dbraw/zinc/23/05/47/459230547.db2.gz XIEBDHSLLRNVKE-SJORKVTESA-N 2 2 331.460 3.378 20 5 EGBDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057460 459230551 /nfs/dbraw/zinc/23/05/51/459230551.db2.gz XIEBDHSLLRNVKE-SJORKVTESA-N 2 2 331.460 3.378 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718688 459836821 /nfs/dbraw/zinc/83/68/21/459836821.db2.gz SYODIWYHFWZRAZ-IAGOWNOFSA-N 2 2 347.459 3.151 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718688 459836824 /nfs/dbraw/zinc/83/68/24/459836824.db2.gz SYODIWYHFWZRAZ-IAGOWNOFSA-N 2 2 347.459 3.151 20 5 EGBDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602502168 459970468 /nfs/dbraw/zinc/97/04/68/459970468.db2.gz FBBWCGMCSBFGRR-UHFFFAOYSA-N 2 2 338.411 3.475 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610945181 460264350 /nfs/dbraw/zinc/26/43/50/460264350.db2.gz QZQXROOTDIGZOS-QGZVFWFLSA-N 2 2 344.415 3.416 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610945181 460264352 /nfs/dbraw/zinc/26/43/52/460264352.db2.gz QZQXROOTDIGZOS-QGZVFWFLSA-N 2 2 344.415 3.416 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000922482838 1322539324 /nfs/dbraw/zinc/53/93/24/1322539324.db2.gz NHPAIIMTPFMVKH-ZROIWOOFSA-N 2 2 326.400 3.249 20 5 EGBDLP [NH3+][C@@H]1C[C@@H](O)C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957268 1370614721 /nfs/dbraw/zinc/61/47/21/1370614721.db2.gz QPJJZABVAHGXPQ-RTBURBONSA-N 2 2 330.431 3.478 20 5 EGBDLP [NH3+][C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957268 1370614727 /nfs/dbraw/zinc/61/47/27/1370614727.db2.gz QPJJZABVAHGXPQ-RTBURBONSA-N 2 2 330.431 3.478 20 5 EGBDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414668019 309094755 /nfs/dbraw/zinc/09/47/55/309094755.db2.gz YKFVFJYDYFEXGS-GFCCVEGCSA-N 2 2 335.791 3.431 20 5 EGBDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414668019 309094756 /nfs/dbraw/zinc/09/47/56/309094756.db2.gz YKFVFJYDYFEXGS-GFCCVEGCSA-N 2 2 335.791 3.431 20 5 EGBDLP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000414882742 309107158 /nfs/dbraw/zinc/10/71/58/309107158.db2.gz CGYLTNLSLNYYRQ-OAHLLOKOSA-N 2 2 335.791 3.335 20 5 EGBDLP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423085960 309385188 /nfs/dbraw/zinc/38/51/88/309385188.db2.gz LAASQCJPFSXGMA-YGRLFVJLSA-N 2 2 331.338 3.234 20 5 EGBDLP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000423085959 309385240 /nfs/dbraw/zinc/38/52/40/309385240.db2.gz LAASQCJPFSXGMA-QMTHXVAHSA-N 2 2 331.338 3.234 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[NH+](C)C ZINC000504930986 312012986 /nfs/dbraw/zinc/01/29/86/312012986.db2.gz VCAFPCNOCURUCJ-ZDUSSCGKSA-N 2 2 325.478 3.395 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000535777308 314072961 /nfs/dbraw/zinc/07/29/61/314072961.db2.gz AGJSFOXTZVOBCL-AWEZNQCLSA-N 2 2 332.404 3.321 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152777936 454724547 /nfs/dbraw/zinc/72/45/47/454724547.db2.gz FOPXPDCZAVAHLF-CQSZACIVSA-N 2 2 328.416 3.329 20 5 EGBDLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000152786459 454725552 /nfs/dbraw/zinc/72/55/52/454725552.db2.gz AEXDYKRRINKJJG-QGZVFWFLSA-N 2 2 328.416 3.411 20 5 EGBDLP C[NH+](C)CC(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113311074 454922325 /nfs/dbraw/zinc/92/23/25/454922325.db2.gz GCPYOTNVASROOQ-UHFFFAOYSA-N 2 2 348.472 3.396 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674805 455593595 /nfs/dbraw/zinc/59/35/95/455593595.db2.gz JRAODSGCPIJFKM-LSDHHAIUSA-N 2 2 347.459 3.346 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674805 455593598 /nfs/dbraw/zinc/59/35/98/455593598.db2.gz JRAODSGCPIJFKM-LSDHHAIUSA-N 2 2 347.459 3.346 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248197949 455697180 /nfs/dbraw/zinc/69/71/80/455697180.db2.gz XRPMQAXQOVAWDM-YJBOKZPZSA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248197949 455697182 /nfs/dbraw/zinc/69/71/82/455697182.db2.gz XRPMQAXQOVAWDM-YJBOKZPZSA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248197949 455697186 /nfs/dbraw/zinc/69/71/86/455697186.db2.gz XRPMQAXQOVAWDM-YJBOKZPZSA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248197949 455697189 /nfs/dbraw/zinc/69/71/89/455697189.db2.gz XRPMQAXQOVAWDM-YJBOKZPZSA-N 2 2 347.459 3.298 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000336791740 456310266 /nfs/dbraw/zinc/31/02/66/456310266.db2.gz OTIRFPBJCDGLDQ-INIZCTEOSA-N 2 2 343.402 3.346 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000336791740 456310277 /nfs/dbraw/zinc/31/02/77/456310277.db2.gz OTIRFPBJCDGLDQ-INIZCTEOSA-N 2 2 343.402 3.346 20 5 EGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288041 457798765 /nfs/dbraw/zinc/79/87/65/457798765.db2.gz XYULPKKJTRRWMZ-NXOUGTEYSA-N 2 2 329.444 3.390 20 5 EGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288041 457798769 /nfs/dbraw/zinc/79/87/69/457798769.db2.gz XYULPKKJTRRWMZ-NXOUGTEYSA-N 2 2 329.444 3.390 20 5 EGBDLP O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470994460 458674969 /nfs/dbraw/zinc/67/49/69/458674969.db2.gz MVVDMQICKZHDGJ-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470994460 458674973 /nfs/dbraw/zinc/67/49/73/458674973.db2.gz MVVDMQICKZHDGJ-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470994460 458674978 /nfs/dbraw/zinc/67/49/78/458674978.db2.gz MVVDMQICKZHDGJ-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470994460 458674985 /nfs/dbraw/zinc/67/49/85/458674985.db2.gz MVVDMQICKZHDGJ-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000520499957 459064862 /nfs/dbraw/zinc/06/48/62/459064862.db2.gz UAUICFHBATYIID-VQHPVUNQSA-N 2 2 349.479 3.128 20 5 EGBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@H+]1CCCC[C@H]1C ZINC000520499957 459064869 /nfs/dbraw/zinc/06/48/69/459064869.db2.gz UAUICFHBATYIID-VQHPVUNQSA-N 2 2 349.479 3.128 20 5 EGBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534127655 459292970 /nfs/dbraw/zinc/29/29/70/459292970.db2.gz CYQLPVAXZISAOT-UHFFFAOYSA-N 2 2 326.400 3.109 20 5 EGBDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504052 459972205 /nfs/dbraw/zinc/97/22/05/459972205.db2.gz RKNDLHLJRQKUTD-ZDUSSCGKSA-N 2 2 332.404 3.090 20 5 EGBDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504052 459972211 /nfs/dbraw/zinc/97/22/11/459972211.db2.gz RKNDLHLJRQKUTD-ZDUSSCGKSA-N 2 2 332.404 3.090 20 5 EGBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000602564722 459999555 /nfs/dbraw/zinc/99/95/55/459999555.db2.gz CGAOMYQXQXCKKH-UHFFFAOYSA-N 2 2 344.415 3.233 20 5 EGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000872063692 1296710410 /nfs/dbraw/zinc/71/04/10/1296710410.db2.gz RZPKKRCBVVZUGK-RYUDHWBXSA-N 2 2 332.429 3.179 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588458036 1298067524 /nfs/dbraw/zinc/06/75/24/1298067524.db2.gz UOZGWCGUFRWUIU-KQQSKNTNSA-N 2 2 340.427 3.296 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588458036 1298067536 /nfs/dbraw/zinc/06/75/36/1298067536.db2.gz UOZGWCGUFRWUIU-KQQSKNTNSA-N 2 2 340.427 3.296 20 5 EGBDLP CC(C)CC[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000894056371 1306194735 /nfs/dbraw/zinc/19/47/35/1306194735.db2.gz FXLJAFMGCZEUAJ-UHFFFAOYSA-N 2 2 345.447 3.071 20 5 EGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000811492233 1318185065 /nfs/dbraw/zinc/18/50/65/1318185065.db2.gz YTESBRFGVPNPEW-LLVKDONJSA-N 2 2 341.198 3.203 20 5 EGBDLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985030 1384079155 /nfs/dbraw/zinc/07/91/55/1384079155.db2.gz CEUGXWKMYRNYNX-JOCLIGHLSA-N 2 2 339.439 3.463 20 5 EGBDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264937947 247063058 /nfs/dbraw/zinc/06/30/58/247063058.db2.gz DXZNPGGUSRLXTN-LBPRGKRZSA-N 2 2 334.445 3.148 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175253421 144061194 /nfs/dbraw/zinc/06/11/94/144061194.db2.gz UUPJQSSZKWRWPY-QGZVFWFLSA-N 2 2 347.459 3.444 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175253421 144061195 /nfs/dbraw/zinc/06/11/95/144061195.db2.gz UUPJQSSZKWRWPY-QGZVFWFLSA-N 2 2 347.459 3.444 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349155595 156370286 /nfs/dbraw/zinc/37/02/86/156370286.db2.gz WBVXVLYRAKDHSO-DKGMDFAASA-N 2 2 326.400 3.221 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255037037 308038071 /nfs/dbraw/zinc/03/80/71/308038071.db2.gz XFSDLNDYMANMIW-QLBOMPFWSA-N 2 2 329.444 3.416 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255037037 308038073 /nfs/dbraw/zinc/03/80/73/308038073.db2.gz XFSDLNDYMANMIW-QLBOMPFWSA-N 2 2 329.444 3.416 20 5 EGBDLP CC[NH2+]CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414829384 309104331 /nfs/dbraw/zinc/10/43/31/309104331.db2.gz MOHALCLHSWVUGU-UHFFFAOYSA-N 2 2 328.416 3.062 20 5 EGBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414973448 309112395 /nfs/dbraw/zinc/11/23/95/309112395.db2.gz CCLYGVCABPIGPF-AWEZNQCLSA-N 2 2 333.363 3.353 20 5 EGBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000415019172 309114738 /nfs/dbraw/zinc/11/47/38/309114738.db2.gz RPULTQNCJGRMNR-KGLIPLIRSA-N 2 2 328.416 3.188 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725801 460580819 /nfs/dbraw/zinc/58/08/19/460580819.db2.gz KFIBQPZZSKMNAI-NTZNESFSSA-N 2 2 331.338 3.115 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725801 460580823 /nfs/dbraw/zinc/58/08/23/460580823.db2.gz KFIBQPZZSKMNAI-NTZNESFSSA-N 2 2 331.338 3.115 20 5 EGBDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083213713 453943870 /nfs/dbraw/zinc/94/38/70/453943870.db2.gz WOEXDTBQPOSOQD-CYBMUJFWSA-N 2 2 332.404 3.042 20 5 EGBDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083213713 453943872 /nfs/dbraw/zinc/94/38/72/453943872.db2.gz WOEXDTBQPOSOQD-CYBMUJFWSA-N 2 2 332.404 3.042 20 5 EGBDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083213713 453943873 /nfs/dbraw/zinc/94/38/73/453943873.db2.gz WOEXDTBQPOSOQD-CYBMUJFWSA-N 2 2 332.404 3.042 20 5 EGBDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083213713 453943875 /nfs/dbraw/zinc/94/38/75/453943875.db2.gz WOEXDTBQPOSOQD-CYBMUJFWSA-N 2 2 332.404 3.042 20 5 EGBDLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247890573 455652049 /nfs/dbraw/zinc/65/20/49/455652049.db2.gz FFNHNMHOSCKPIV-JYJNAYRXSA-N 2 2 335.448 3.053 20 5 EGBDLP O=[N+]([O-])c1ccccc1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000291105854 456530023 /nfs/dbraw/zinc/53/00/23/456530023.db2.gz JVKOMUBQAHZDOZ-UHFFFAOYSA-N 2 2 345.365 3.144 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427880542 458047014 /nfs/dbraw/zinc/04/70/14/458047014.db2.gz WNSSZRCBEKCGCH-UAGQMJEPSA-N 2 2 340.427 3.107 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423430161 458431373 /nfs/dbraw/zinc/43/13/73/458431373.db2.gz POCIXDQLGHPFJH-KBXCAEBGSA-N 2 2 325.412 3.002 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423535802 458453784 /nfs/dbraw/zinc/45/37/84/458453784.db2.gz YJQKWUWESHRWNA-SLFFLAALSA-N 2 2 337.423 3.317 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000595015467 459216412 /nfs/dbraw/zinc/21/64/12/459216412.db2.gz NSYKRWGXTHBRNL-ZDUSSCGKSA-N 2 2 333.432 3.271 20 5 EGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)s1 ZINC000591281842 459347472 /nfs/dbraw/zinc/34/74/72/459347472.db2.gz OMUXIRJNVSTIBQ-RYUDHWBXSA-N 2 2 335.404 3.113 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596060018 459505222 /nfs/dbraw/zinc/50/52/22/459505222.db2.gz XQKFCMQRDFVAGG-MRXNPFEDSA-N 2 2 347.459 3.205 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596060018 459505230 /nfs/dbraw/zinc/50/52/30/459505230.db2.gz XQKFCMQRDFVAGG-MRXNPFEDSA-N 2 2 347.459 3.205 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094377 459518536 /nfs/dbraw/zinc/51/85/36/459518536.db2.gz LRRHAQZIPTZROK-GOEBONIOSA-N 2 2 347.459 3.376 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094377 459518541 /nfs/dbraw/zinc/51/85/41/459518541.db2.gz LRRHAQZIPTZROK-GOEBONIOSA-N 2 2 347.459 3.376 20 5 EGBDLP Cn1c2ccccc2[nH+]c1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602595569 460016485 /nfs/dbraw/zinc/01/64/85/460016485.db2.gz YXOVKCTWXZLBPC-UHFFFAOYSA-N 2 2 338.411 3.246 20 5 EGBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189050 528596316 /nfs/dbraw/zinc/59/63/16/528596316.db2.gz IDYUZBQOMZKJQI-GZBFAFLISA-N 2 2 333.432 3.269 20 5 EGBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189050 528596318 /nfs/dbraw/zinc/59/63/18/528596318.db2.gz IDYUZBQOMZKJQI-GZBFAFLISA-N 2 2 333.432 3.269 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588458037 1298067311 /nfs/dbraw/zinc/06/73/11/1298067311.db2.gz UOZGWCGUFRWUIU-SBSDFTTDSA-N 2 2 340.427 3.296 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588458037 1298067321 /nfs/dbraw/zinc/06/73/21/1298067321.db2.gz UOZGWCGUFRWUIU-SBSDFTTDSA-N 2 2 340.427 3.296 20 5 EGBDLP O[C@H]1C[NH2+]CC[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475812 1372362392 /nfs/dbraw/zinc/36/23/92/1372362392.db2.gz PFSPTQZLZMUZQG-AWEZNQCLSA-N 2 2 340.854 3.413 20 5 EGBDLP O[C@H]1C[NH2+]CC[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475812 1372362393 /nfs/dbraw/zinc/36/23/93/1372362393.db2.gz PFSPTQZLZMUZQG-AWEZNQCLSA-N 2 2 340.854 3.413 20 5 EGBDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055826 1384101396 /nfs/dbraw/zinc/10/13/96/1384101396.db2.gz QQZOHDLLBDNWKU-VQIMIIECSA-N 2 2 349.450 3.167 20 5 EGBDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055826 1384101397 /nfs/dbraw/zinc/10/13/97/1384101397.db2.gz QQZOHDLLBDNWKU-VQIMIIECSA-N 2 2 349.450 3.167 20 5 EGBDLP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170306401 1384287270 /nfs/dbraw/zinc/28/72/70/1384287270.db2.gz UOILWNUKQGQDNJ-JKSUJKDBSA-N 2 2 349.475 3.244 20 5 EGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278797390 275275757 /nfs/dbraw/zinc/27/57/57/275275757.db2.gz XGGHPOHCEBHTRN-UHFFFAOYSA-N 2 2 327.384 3.342 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000279616036 275344149 /nfs/dbraw/zinc/34/41/49/275344149.db2.gz XTVOJSBKMPCBPV-GWCFXTLKSA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000279616036 275344151 /nfs/dbraw/zinc/34/41/51/275344151.db2.gz XTVOJSBKMPCBPV-GWCFXTLKSA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414665967 309094542 /nfs/dbraw/zinc/09/45/42/309094542.db2.gz VYLFSQAMXGNHHV-AWEZNQCLSA-N 2 2 328.416 3.142 20 5 EGBDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414665967 309094543 /nfs/dbraw/zinc/09/45/43/309094543.db2.gz VYLFSQAMXGNHHV-AWEZNQCLSA-N 2 2 328.416 3.142 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000414840644 309105028 /nfs/dbraw/zinc/10/50/28/309105028.db2.gz MPMGONNFNRZUBD-CYBMUJFWSA-N 2 2 347.415 3.326 20 5 EGBDLP C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]C1 ZINC000414848299 309105295 /nfs/dbraw/zinc/10/52/95/309105295.db2.gz GKYDKSXXDAHRPJ-JSGCOSHPSA-N 2 2 346.456 3.196 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+][C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414951543 309110864 /nfs/dbraw/zinc/11/08/64/309110864.db2.gz JFLVCBXJWINORN-MLGOLLRUSA-N 2 2 345.399 3.094 20 5 EGBDLP CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423088682 309385286 /nfs/dbraw/zinc/38/52/86/309385286.db2.gz QRGFKBCWZANYNY-KBPBESRZSA-N 2 2 331.338 3.234 20 5 EGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449166083 310041742 /nfs/dbraw/zinc/04/17/42/310041742.db2.gz BSILXJUIGSJUHE-CZUORRHYSA-N 2 2 328.416 3.198 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000449254227 310047771 /nfs/dbraw/zinc/04/77/71/310047771.db2.gz WUUPJXVSVIJITR-BEFAXECRSA-N 2 2 327.428 3.418 20 5 EGBDLP CC(C)C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000480532782 310896130 /nfs/dbraw/zinc/89/61/30/310896130.db2.gz ADVBLGVCEPYMMG-MSOLQXFVSA-N 2 2 333.476 3.482 20 5 EGBDLP Cc1ccn2cc(CNc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)[nH+]c2c1 ZINC000541160161 314439271 /nfs/dbraw/zinc/43/92/71/314439271.db2.gz POBFTBXAHSCGPB-UHFFFAOYSA-N 2 2 347.378 3.442 20 5 EGBDLP C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000242147482 455270270 /nfs/dbraw/zinc/27/02/70/455270270.db2.gz WSEHOJULVZVPFO-IUODEOHRSA-N 2 2 341.371 3.016 20 5 EGBDLP C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000242147482 455270272 /nfs/dbraw/zinc/27/02/72/455270272.db2.gz WSEHOJULVZVPFO-IUODEOHRSA-N 2 2 341.371 3.016 20 5 EGBDLP C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cn1cc[nH+]c1 ZINC000171051844 455021917 /nfs/dbraw/zinc/02/19/17/455021917.db2.gz DWRIKVJSAJFTER-AWEZNQCLSA-N 2 2 340.383 3.477 20 5 EGBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952881 456630760 /nfs/dbraw/zinc/63/07/60/456630760.db2.gz UPHBOPIIDPIMHB-MRXNPFEDSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952881 456630764 /nfs/dbraw/zinc/63/07/64/456630764.db2.gz UPHBOPIIDPIMHB-MRXNPFEDSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952881 456630767 /nfs/dbraw/zinc/63/07/67/456630767.db2.gz UPHBOPIIDPIMHB-MRXNPFEDSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952881 456630769 /nfs/dbraw/zinc/63/07/69/456630769.db2.gz UPHBOPIIDPIMHB-MRXNPFEDSA-N 2 2 335.448 3.157 20 5 EGBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000339004551 456895721 /nfs/dbraw/zinc/89/57/21/456895721.db2.gz FRNQSMYUDVCSRL-GFCCVEGCSA-N 2 2 345.365 3.387 20 5 EGBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000339004551 456895726 /nfs/dbraw/zinc/89/57/26/456895726.db2.gz FRNQSMYUDVCSRL-GFCCVEGCSA-N 2 2 345.365 3.387 20 5 EGBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000339004551 456895729 /nfs/dbraw/zinc/89/57/29/456895729.db2.gz FRNQSMYUDVCSRL-GFCCVEGCSA-N 2 2 345.365 3.387 20 5 EGBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000339004551 456895732 /nfs/dbraw/zinc/89/57/32/456895732.db2.gz FRNQSMYUDVCSRL-GFCCVEGCSA-N 2 2 345.365 3.387 20 5 EGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377887651 458563702 /nfs/dbraw/zinc/56/37/02/458563702.db2.gz GLJMCLFPYFRCTL-OAHLLOKOSA-N 2 2 328.416 3.441 20 5 EGBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377887651 458563708 /nfs/dbraw/zinc/56/37/08/458563708.db2.gz GLJMCLFPYFRCTL-OAHLLOKOSA-N 2 2 328.416 3.441 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc(C(F)(F)F)c1 ZINC000594940528 459185468 /nfs/dbraw/zinc/18/54/68/459185468.db2.gz ZPYVQDPMPMDFDM-UHFFFAOYSA-N 2 2 340.305 3.046 20 5 EGBDLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613968 459207632 /nfs/dbraw/zinc/20/76/32/459207632.db2.gz NMLFJYXBWOBZDM-YJBOKZPZSA-N 2 2 331.460 3.237 20 5 EGBDLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613968 459207640 /nfs/dbraw/zinc/20/76/40/459207640.db2.gz NMLFJYXBWOBZDM-YJBOKZPZSA-N 2 2 331.460 3.237 20 5 EGBDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602575903 460004637 /nfs/dbraw/zinc/00/46/37/460004637.db2.gz YIYMGZKEWDIEBX-CQSZACIVSA-N 2 2 346.431 3.194 20 5 EGBDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602575903 460004645 /nfs/dbraw/zinc/00/46/45/460004645.db2.gz YIYMGZKEWDIEBX-CQSZACIVSA-N 2 2 346.431 3.194 20 5 EGBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611254610 460317812 /nfs/dbraw/zinc/31/78/12/460317812.db2.gz IUGQXCLQKNRMGQ-UHFFFAOYSA-N 2 2 347.459 3.388 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000130388529 528209959 /nfs/dbraw/zinc/20/99/59/528209959.db2.gz SMHGEURYUOJTHX-UHFFFAOYSA-N 2 2 332.404 3.101 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130388529 528209965 /nfs/dbraw/zinc/20/99/65/528209965.db2.gz SMHGEURYUOJTHX-UHFFFAOYSA-N 2 2 332.404 3.101 20 5 EGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000872063693 1296710888 /nfs/dbraw/zinc/71/08/88/1296710888.db2.gz RZPKKRCBVVZUGK-VXGBXAGGSA-N 2 2 332.429 3.179 20 5 EGBDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000876956272 1299086502 /nfs/dbraw/zinc/08/65/02/1299086502.db2.gz IPELHCMNSIOJKA-HNNXBMFYSA-N 2 2 343.387 3.137 20 5 EGBDLP CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000367439878 168226043 /nfs/dbraw/zinc/22/60/43/168226043.db2.gz XZLLYFVXKHEBOF-CYBMUJFWSA-N 2 2 344.415 3.377 20 5 EGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415063982 309117725 /nfs/dbraw/zinc/11/77/25/309117725.db2.gz JMQBOGPNBNZOPT-VOCYLRNQSA-N 2 2 325.412 3.460 20 5 EGBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310294 309201235 /nfs/dbraw/zinc/20/12/35/309201235.db2.gz LATYINBAHCGQAF-KXBFYZLASA-N 2 2 347.459 3.063 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628656 311273527 /nfs/dbraw/zinc/27/35/27/311273527.db2.gz HLKPMPMBDHSPGO-KRWDZBQOSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628656 311273529 /nfs/dbraw/zinc/27/35/29/311273529.db2.gz HLKPMPMBDHSPGO-KRWDZBQOSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628656 311273531 /nfs/dbraw/zinc/27/35/31/311273531.db2.gz HLKPMPMBDHSPGO-KRWDZBQOSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628656 311273533 /nfs/dbraw/zinc/27/35/33/311273533.db2.gz HLKPMPMBDHSPGO-KRWDZBQOSA-N 2 2 347.459 3.157 20 5 EGBDLP CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353123873 456505233 /nfs/dbraw/zinc/50/52/33/456505233.db2.gz IWSSMJQIOYNTAD-DHDCSXOGSA-N 2 2 349.394 3.172 20 5 EGBDLP CCOc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276841304 456596209 /nfs/dbraw/zinc/59/62/09/456596209.db2.gz CKHDXJOEQKBVPP-KRWDZBQOSA-N 2 2 347.459 3.444 20 5 EGBDLP CCOc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276841304 456596216 /nfs/dbraw/zinc/59/62/16/456596216.db2.gz CKHDXJOEQKBVPP-KRWDZBQOSA-N 2 2 347.459 3.444 20 5 EGBDLP CC(C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447512059 458301901 /nfs/dbraw/zinc/30/19/01/458301901.db2.gz OFZVBBHWCZELHU-JKSUJKDBSA-N 2 2 349.479 3.129 20 5 EGBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491054 458687961 /nfs/dbraw/zinc/68/79/61/458687961.db2.gz ZLPNKNZEFQTRQW-IINYFYTJSA-N 2 2 331.338 3.043 20 5 EGBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491054 458687966 /nfs/dbraw/zinc/68/79/66/458687966.db2.gz ZLPNKNZEFQTRQW-IINYFYTJSA-N 2 2 331.338 3.043 20 5 EGBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801699 459148722 /nfs/dbraw/zinc/14/87/22/459148722.db2.gz GQKITJSUUUZPFL-SOLBZPMBSA-N 2 2 331.460 3.237 20 5 EGBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801699 459148726 /nfs/dbraw/zinc/14/87/26/459148726.db2.gz GQKITJSUUUZPFL-SOLBZPMBSA-N 2 2 331.460 3.237 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000534329401 459315121 /nfs/dbraw/zinc/31/51/21/459315121.db2.gz QPRIWOYTEZUGQQ-HUUCEWRRSA-N 2 2 337.489 3.397 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000534329401 459315125 /nfs/dbraw/zinc/31/51/25/459315125.db2.gz QPRIWOYTEZUGQQ-HUUCEWRRSA-N 2 2 337.489 3.397 20 5 EGBDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899780 459330248 /nfs/dbraw/zinc/33/02/48/459330248.db2.gz KPYUGPHPYXQEIO-ZWKOTPCHSA-N 2 2 331.460 3.380 20 5 EGBDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899780 459330250 /nfs/dbraw/zinc/33/02/50/459330250.db2.gz KPYUGPHPYXQEIO-ZWKOTPCHSA-N 2 2 331.460 3.380 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602516980 459978632 /nfs/dbraw/zinc/97/86/32/459978632.db2.gz UWAWRLKQUFTICN-KBPBESRZSA-N 2 2 343.349 3.330 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602516980 459978635 /nfs/dbraw/zinc/97/86/35/459978635.db2.gz UWAWRLKQUFTICN-KBPBESRZSA-N 2 2 343.349 3.330 20 5 EGBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602662396 460052531 /nfs/dbraw/zinc/05/25/31/460052531.db2.gz NKMSWBLACKMILZ-UHFFFAOYSA-N 2 2 342.321 3.332 20 5 EGBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602662396 460052537 /nfs/dbraw/zinc/05/25/37/460052537.db2.gz NKMSWBLACKMILZ-UHFFFAOYSA-N 2 2 342.321 3.332 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924955512 1323227627 /nfs/dbraw/zinc/22/76/27/1323227627.db2.gz RUSNCGXOOCEGGA-UHFFFAOYSA-N 2 2 335.448 3.204 20 5 EGBDLP COc1ccc(C[C@@H](C)n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170353093 1384299178 /nfs/dbraw/zinc/29/91/78/1384299178.db2.gz VQRRDNRIVBPPLI-UKRRQHHQSA-N 2 2 344.415 3.071 20 5 EGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001173233660 1384941621 /nfs/dbraw/zinc/94/16/21/1384941621.db2.gz XSTHBTRCNMELAC-OAHLLOKOSA-N 2 2 340.427 3.179 20 5 EGBDLP CC[NH+]1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113314521 220523671 /nfs/dbraw/zinc/52/36/71/220523671.db2.gz XUHKYECSGSODAR-UHFFFAOYSA-N 2 2 346.456 3.292 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000345043591 155908924 /nfs/dbraw/zinc/90/89/24/155908924.db2.gz IXXBOIYSDXMWJV-ZGUWOUCSSA-N 2 2 335.473 3.025 20 5 EGBDLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000248615842 163021772 /nfs/dbraw/zinc/02/17/72/163021772.db2.gz IRGYVUZAIPJAFK-MLGOLLRUSA-N 2 2 348.378 3.022 20 5 EGBDLP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000248615842 163021776 /nfs/dbraw/zinc/02/17/76/163021776.db2.gz IRGYVUZAIPJAFK-MLGOLLRUSA-N 2 2 348.378 3.022 20 5 EGBDLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091490 309385384 /nfs/dbraw/zinc/38/53/84/309385384.db2.gz XFHHUJVWSFKHAS-ZIAGYGMSSA-N 2 2 331.338 3.363 20 5 EGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059613 310033685 /nfs/dbraw/zinc/03/36/85/310033685.db2.gz CAGFVMNOVQHDLA-CQSZACIVSA-N 2 2 338.411 3.474 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449076756 310035201 /nfs/dbraw/zinc/03/52/01/310035201.db2.gz HXFONCPSBSCSRD-OAHLLOKOSA-N 2 2 340.427 3.179 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000449087182 310035957 /nfs/dbraw/zinc/03/59/57/310035957.db2.gz UTBIQSNSZGOSAZ-LPHOPBHVSA-N 2 2 341.455 3.288 20 5 EGBDLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630531 311273724 /nfs/dbraw/zinc/27/37/24/311273724.db2.gz NHUUOTMPRKVRKL-HOCLYGCPSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630531 311273725 /nfs/dbraw/zinc/27/37/25/311273725.db2.gz NHUUOTMPRKVRKL-HOCLYGCPSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630531 311273726 /nfs/dbraw/zinc/27/37/26/311273726.db2.gz NHUUOTMPRKVRKL-HOCLYGCPSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630531 311273728 /nfs/dbraw/zinc/27/37/28/311273728.db2.gz NHUUOTMPRKVRKL-HOCLYGCPSA-N 2 2 335.448 3.298 20 5 EGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000515433167 312283069 /nfs/dbraw/zinc/28/30/69/312283069.db2.gz QAZYTJJVWUPYKK-BBRMVZONSA-N 2 2 326.400 3.254 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312482 314040295 /nfs/dbraw/zinc/04/02/95/314040295.db2.gz GNHRSDPLURTUDF-AWEZNQCLSA-N 2 2 344.415 3.105 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312482 314040296 /nfs/dbraw/zinc/04/02/96/314040296.db2.gz GNHRSDPLURTUDF-AWEZNQCLSA-N 2 2 344.415 3.105 20 5 EGBDLP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600778216 460599429 /nfs/dbraw/zinc/59/94/29/460599429.db2.gz WSZULTBBCXOUBI-KBUVRSHFSA-N 2 2 343.349 3.067 20 5 EGBDLP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600778216 460599434 /nfs/dbraw/zinc/59/94/34/460599434.db2.gz WSZULTBBCXOUBI-KBUVRSHFSA-N 2 2 343.349 3.067 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119917408 454235963 /nfs/dbraw/zinc/23/59/63/454235963.db2.gz BLGQPBMDCMWURF-OAGGEKHMSA-N 2 2 335.448 3.053 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961338 454659468 /nfs/dbraw/zinc/65/94/68/454659468.db2.gz BERUQNLXTMKSIX-AWEZNQCLSA-N 2 2 344.415 3.485 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961338 454659474 /nfs/dbraw/zinc/65/94/74/454659474.db2.gz BERUQNLXTMKSIX-AWEZNQCLSA-N 2 2 344.415 3.485 20 5 EGBDLP Cc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000152768851 454723852 /nfs/dbraw/zinc/72/38/52/454723852.db2.gz NXISQJRPJPDGQM-AWEZNQCLSA-N 2 2 328.416 3.329 20 5 EGBDLP CCC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000163692985 454861252 /nfs/dbraw/zinc/86/12/52/454861252.db2.gz XBRVWDNTNPZFTD-GOSISDBHSA-N 2 2 335.448 3.136 20 5 EGBDLP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158937677 455338594 /nfs/dbraw/zinc/33/85/94/455338594.db2.gz KIVKAFADOIDNGN-RBUKOAKNSA-N 2 2 349.475 3.118 20 5 EGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288043 457799171 /nfs/dbraw/zinc/79/91/71/457799171.db2.gz XYULPKKJTRRWMZ-OCBCSQNSSA-N 2 2 329.444 3.390 20 5 EGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288043 457799176 /nfs/dbraw/zinc/79/91/76/457799176.db2.gz XYULPKKJTRRWMZ-OCBCSQNSSA-N 2 2 329.444 3.390 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430220457 458423724 /nfs/dbraw/zinc/42/37/24/458423724.db2.gz QDPCSQIURGGXOU-GDBMZVCRSA-N 2 2 347.459 3.346 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000430220457 458423728 /nfs/dbraw/zinc/42/37/28/458423728.db2.gz QDPCSQIURGGXOU-GDBMZVCRSA-N 2 2 347.459 3.346 20 5 EGBDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719224 460005093 /nfs/dbraw/zinc/00/50/93/460005093.db2.gz MICWGGOGHPYHRN-SCLBCKFNSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719224 460005096 /nfs/dbraw/zinc/00/50/96/460005096.db2.gz MICWGGOGHPYHRN-SCLBCKFNSA-N 2 2 327.384 3.168 20 5 EGBDLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601164700 460737204 /nfs/dbraw/zinc/73/72/04/460737204.db2.gz FHZBPJCIDLZOEK-DZGCQCFKSA-N 2 2 326.400 3.206 20 5 EGBDLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCCC1 ZINC000765256591 1302230840 /nfs/dbraw/zinc/23/08/40/1302230840.db2.gz UQIBRQYGXNBMMY-YJBOKZPZSA-N 2 2 331.460 3.380 20 5 EGBDLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956864 1384070609 /nfs/dbraw/zinc/07/06/09/1384070609.db2.gz CEUGXWKMYRNYNX-YGWPLHOASA-N 2 2 339.439 3.463 20 5 EGBDLP COc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170297560 1384285429 /nfs/dbraw/zinc/28/54/29/1384285429.db2.gz PJWOYFDIZZKTOH-OAHLLOKOSA-N 2 2 335.448 3.000 20 5 EGBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860622 216320445 /nfs/dbraw/zinc/32/04/45/216320445.db2.gz HNMNPVIGIOJUHP-HNNXBMFYSA-N 2 2 335.448 3.156 20 5 EGBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860622 216320448 /nfs/dbraw/zinc/32/04/48/216320448.db2.gz HNMNPVIGIOJUHP-HNNXBMFYSA-N 2 2 335.448 3.156 20 5 EGBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860622 216320451 /nfs/dbraw/zinc/32/04/51/216320451.db2.gz HNMNPVIGIOJUHP-HNNXBMFYSA-N 2 2 335.448 3.156 20 5 EGBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860622 216320455 /nfs/dbraw/zinc/32/04/55/216320455.db2.gz HNMNPVIGIOJUHP-HNNXBMFYSA-N 2 2 335.448 3.156 20 5 EGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000414813522 309103246 /nfs/dbraw/zinc/10/32/46/309103246.db2.gz YLAUAEJYVMNVDU-MRXNPFEDSA-N 2 2 345.374 3.353 20 5 EGBDLP C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000415128456 309122466 /nfs/dbraw/zinc/12/24/66/309122466.db2.gz NYJWRSWRLIKHQU-GXTWGEPZSA-N 2 2 346.456 3.135 20 5 EGBDLP C[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000415128456 309122467 /nfs/dbraw/zinc/12/24/67/309122467.db2.gz NYJWRSWRLIKHQU-GXTWGEPZSA-N 2 2 346.456 3.135 20 5 EGBDLP CC(C)C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000480532784 310896080 /nfs/dbraw/zinc/89/60/80/310896080.db2.gz ADVBLGVCEPYMMG-QZTJIDSGSA-N 2 2 333.476 3.482 20 5 EGBDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824377 324279637 /nfs/dbraw/zinc/27/96/37/324279637.db2.gz NYGXLZKQEXKXGL-OXJNMPFZSA-N 2 2 339.439 3.247 20 5 EGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824377 324279638 /nfs/dbraw/zinc/27/96/38/324279638.db2.gz NYGXLZKQEXKXGL-OXJNMPFZSA-N 2 2 339.439 3.247 20 5 EGBDLP Cc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000152768735 454723417 /nfs/dbraw/zinc/72/34/17/454723417.db2.gz NXISQJRPJPDGQM-CQSZACIVSA-N 2 2 328.416 3.329 20 5 EGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000601116666 460715448 /nfs/dbraw/zinc/71/54/48/460715448.db2.gz WMFZAABWOPDZFF-HNNXBMFYSA-N 2 2 326.400 3.208 20 5 EGBDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000277175816 456709684 /nfs/dbraw/zinc/70/96/84/456709684.db2.gz KXVKTUHCBPAOSP-INIZCTEOSA-N 2 2 344.415 3.166 20 5 EGBDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000277175816 456709688 /nfs/dbraw/zinc/70/96/88/456709688.db2.gz KXVKTUHCBPAOSP-INIZCTEOSA-N 2 2 344.415 3.166 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340892700 456744959 /nfs/dbraw/zinc/74/49/59/456744959.db2.gz BTNZOCGSVDROOV-CABCVRRESA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340892700 456744967 /nfs/dbraw/zinc/74/49/67/456744967.db2.gz BTNZOCGSVDROOV-CABCVRRESA-N 2 2 328.416 3.344 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000283311526 456756680 /nfs/dbraw/zinc/75/66/80/456756680.db2.gz ZAOMKWDAQBHOGE-WMLDXEAASA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000283311526 456756681 /nfs/dbraw/zinc/75/66/81/456756681.db2.gz ZAOMKWDAQBHOGE-WMLDXEAASA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000283311526 456756682 /nfs/dbraw/zinc/75/66/82/456756682.db2.gz ZAOMKWDAQBHOGE-WMLDXEAASA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000283311526 456756688 /nfs/dbraw/zinc/75/66/88/456756688.db2.gz ZAOMKWDAQBHOGE-WMLDXEAASA-N 2 2 333.407 3.183 20 5 EGBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000339004554 456895106 /nfs/dbraw/zinc/89/51/06/456895106.db2.gz FRNQSMYUDVCSRL-LBPRGKRZSA-N 2 2 345.365 3.387 20 5 EGBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000339004554 456895109 /nfs/dbraw/zinc/89/51/09/456895109.db2.gz FRNQSMYUDVCSRL-LBPRGKRZSA-N 2 2 345.365 3.387 20 5 EGBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000339004554 456895112 /nfs/dbraw/zinc/89/51/12/456895112.db2.gz FRNQSMYUDVCSRL-LBPRGKRZSA-N 2 2 345.365 3.387 20 5 EGBDLP C[NH+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000339004554 456895115 /nfs/dbraw/zinc/89/51/15/456895115.db2.gz FRNQSMYUDVCSRL-LBPRGKRZSA-N 2 2 345.365 3.387 20 5 EGBDLP C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406031151 457555481 /nfs/dbraw/zinc/55/54/81/457555481.db2.gz NBHNKWMHTQXSKN-IBGZPJMESA-N 2 2 325.412 3.349 20 5 EGBDLP C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406031151 457555488 /nfs/dbraw/zinc/55/54/88/457555488.db2.gz NBHNKWMHTQXSKN-IBGZPJMESA-N 2 2 325.412 3.349 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427884971 458046491 /nfs/dbraw/zinc/04/64/91/458046491.db2.gz VDVIMYZGIZWOBX-KGLIPLIRSA-N 2 2 346.456 3.267 20 5 EGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)o1 ZINC000494422191 458673628 /nfs/dbraw/zinc/67/36/28/458673628.db2.gz BKFPOXJRHBNGMA-ZDUSSCGKSA-N 2 2 338.367 3.156 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000595031429 459222272 /nfs/dbraw/zinc/22/22/72/459222272.db2.gz GOTWXOSJVDELOC-AWEZNQCLSA-N 2 2 335.448 3.376 20 5 EGBDLP C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595431291 459299848 /nfs/dbraw/zinc/29/98/48/459299848.db2.gz ONMCMNBFDBXBRD-DZGCQCFKSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000595431291 459299852 /nfs/dbraw/zinc/29/98/52/459299852.db2.gz ONMCMNBFDBXBRD-DZGCQCFKSA-N 2 2 335.423 3.477 20 5 EGBDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717460 460005380 /nfs/dbraw/zinc/00/53/80/460005380.db2.gz FPNNDSOLBYFXSU-RDTXWAMCSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717460 460005382 /nfs/dbraw/zinc/00/53/82/460005382.db2.gz FPNNDSOLBYFXSU-RDTXWAMCSA-N 2 2 327.384 3.168 20 5 EGBDLP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCC1 ZINC000765254627 1302230552 /nfs/dbraw/zinc/23/05/52/1302230552.db2.gz ZPAIGMLDPCFAAS-MRXNPFEDSA-N 2 2 346.475 3.028 20 5 EGBDLP [NH3+]C1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000904451527 1317849408 /nfs/dbraw/zinc/84/94/08/1317849408.db2.gz YXLKZJSEPPOHRV-UHFFFAOYSA-N 2 2 331.347 3.107 20 5 EGBDLP O[C@H]1C[NH2+]CC[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001210400305 1372343095 /nfs/dbraw/zinc/34/30/95/1372343095.db2.gz TYQZEFYZDKPTQC-IBGZPJMESA-N 2 2 330.431 3.350 20 5 EGBDLP O[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001210400305 1372343100 /nfs/dbraw/zinc/34/31/00/1372343100.db2.gz TYQZEFYZDKPTQC-IBGZPJMESA-N 2 2 330.431 3.350 20 5 EGBDLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119926543 152238663 /nfs/dbraw/zinc/23/86/63/152238663.db2.gz ZOIYPBFYGVFJHD-RVKKMQEKSA-N 2 2 335.448 3.135 20 5 EGBDLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119926543 152238665 /nfs/dbraw/zinc/23/86/65/152238665.db2.gz ZOIYPBFYGVFJHD-RVKKMQEKSA-N 2 2 335.448 3.135 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245528201 292295008 /nfs/dbraw/zinc/29/50/08/292295008.db2.gz QKFUOYQHTAIGCH-SJORKVTESA-N 2 2 347.459 3.008 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245528201 292295010 /nfs/dbraw/zinc/29/50/10/292295010.db2.gz QKFUOYQHTAIGCH-SJORKVTESA-N 2 2 347.459 3.008 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CCC2 ZINC000373921243 275037960 /nfs/dbraw/zinc/03/79/60/275037960.db2.gz IHWZCGBDGXWZKI-SFHVURJKSA-N 2 2 349.394 3.343 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000332336350 308834469 /nfs/dbraw/zinc/83/44/69/308834469.db2.gz DATRIQJWLMZWBE-MRXNPFEDSA-N 2 2 340.427 3.490 20 5 EGBDLP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413173666 309019604 /nfs/dbraw/zinc/01/96/04/309019604.db2.gz RDYUWTJOEWSQJE-AWEZNQCLSA-N 2 2 328.416 3.311 20 5 EGBDLP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413173666 309019605 /nfs/dbraw/zinc/01/96/05/309019605.db2.gz RDYUWTJOEWSQJE-AWEZNQCLSA-N 2 2 328.416 3.311 20 5 EGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449166084 310041770 /nfs/dbraw/zinc/04/17/70/310041770.db2.gz BSILXJUIGSJUHE-XJKSGUPXSA-N 2 2 328.416 3.198 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000509619456 312121496 /nfs/dbraw/zinc/12/14/96/312121496.db2.gz PCOSSSQCEHUAGN-HOTGVXAUSA-N 2 2 349.475 3.451 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600722890 460580500 /nfs/dbraw/zinc/58/05/00/460580500.db2.gz RNYFTDPWZIDKFU-SLEUVZQESA-N 2 2 345.365 3.423 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600722890 460580510 /nfs/dbraw/zinc/58/05/10/460580510.db2.gz RNYFTDPWZIDKFU-SLEUVZQESA-N 2 2 345.365 3.423 20 5 EGBDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113340159 454924425 /nfs/dbraw/zinc/92/44/25/454924425.db2.gz GNTARUKWJPNTDY-ZDUSSCGKSA-N 2 2 346.456 3.150 20 5 EGBDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113340159 454924428 /nfs/dbraw/zinc/92/44/28/454924428.db2.gz GNTARUKWJPNTDY-ZDUSSCGKSA-N 2 2 346.456 3.150 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509698 455503451 /nfs/dbraw/zinc/50/34/51/455503451.db2.gz IDXFKWKLMBJHQQ-GUYCJALGSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509698 455503454 /nfs/dbraw/zinc/50/34/54/455503454.db2.gz IDXFKWKLMBJHQQ-GUYCJALGSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509698 455503458 /nfs/dbraw/zinc/50/34/58/455503458.db2.gz IDXFKWKLMBJHQQ-GUYCJALGSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246509698 455503464 /nfs/dbraw/zinc/50/34/64/455503464.db2.gz IDXFKWKLMBJHQQ-GUYCJALGSA-N 2 2 333.407 3.183 20 5 EGBDLP C[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000601130579 460722655 /nfs/dbraw/zinc/72/26/55/460722655.db2.gz WRGBPEMCXLUSOH-ACJLOTCBSA-N 2 2 337.383 3.427 20 5 EGBDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339095049 456938443 /nfs/dbraw/zinc/93/84/43/456938443.db2.gz FXMPIWYBGLQZDJ-WMLDXEAASA-N 2 2 335.448 3.291 20 5 EGBDLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000361689069 457822346 /nfs/dbraw/zinc/82/23/46/457822346.db2.gz FSFKZVFQXBUORT-OAHLLOKOSA-N 2 2 326.400 3.181 20 5 EGBDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064321 458925312 /nfs/dbraw/zinc/92/53/12/458925312.db2.gz YKBRRDUQAGBPTK-IKGGRYGDSA-N 2 2 349.479 3.129 20 5 EGBDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064321 458925316 /nfs/dbraw/zinc/92/53/16/458925316.db2.gz YKBRRDUQAGBPTK-IKGGRYGDSA-N 2 2 349.479 3.129 20 5 EGBDLP CC(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594992586 459209275 /nfs/dbraw/zinc/20/92/75/459209275.db2.gz GYUFQPFJHGRESL-QGZVFWFLSA-N 2 2 347.459 3.061 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000595017759 459216762 /nfs/dbraw/zinc/21/67/62/459216762.db2.gz OENUITCNTNUSOQ-HUUCEWRRSA-N 2 2 335.448 3.376 20 5 EGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000866229769 1330081076 /nfs/dbraw/zinc/08/10/76/1330081076.db2.gz TZUALJOXWKQHBZ-CYBMUJFWSA-N 2 2 346.406 3.030 20 5 EGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCNc1cccc[nH+]1 ZINC000866282330 1330090423 /nfs/dbraw/zinc/09/04/23/1330090423.db2.gz NCYDEMAUJLLONA-CYBMUJFWSA-N 2 2 332.379 3.152 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000279616037 275344178 /nfs/dbraw/zinc/34/41/78/275344178.db2.gz XTVOJSBKMPCBPV-GXFFZTMASA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000279616037 275344181 /nfs/dbraw/zinc/34/41/81/275344181.db2.gz XTVOJSBKMPCBPV-GXFFZTMASA-N 2 2 331.338 3.186 20 5 EGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000414813519 309103265 /nfs/dbraw/zinc/10/32/65/309103265.db2.gz YLAUAEJYVMNVDU-INIZCTEOSA-N 2 2 345.374 3.353 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000417342324 309202333 /nfs/dbraw/zinc/20/23/33/309202333.db2.gz MMVACXRRAVBADU-YOEHRIQHSA-N 2 2 326.400 3.163 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000449087183 310035968 /nfs/dbraw/zinc/03/59/68/310035968.db2.gz UTBIQSNSZGOSAZ-QFBILLFUSA-N 2 2 341.455 3.288 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000514837218 312248311 /nfs/dbraw/zinc/24/83/11/312248311.db2.gz OAAAQAHFBNMFPQ-HZPDHXFCSA-N 2 2 347.459 3.149 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000514837218 312248314 /nfs/dbraw/zinc/24/83/14/312248314.db2.gz OAAAQAHFBNMFPQ-HZPDHXFCSA-N 2 2 347.459 3.149 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000514837216 312248454 /nfs/dbraw/zinc/24/84/54/312248454.db2.gz OAAAQAHFBNMFPQ-CVEARBPZSA-N 2 2 347.459 3.149 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000514837216 312248456 /nfs/dbraw/zinc/24/84/56/312248456.db2.gz OAAAQAHFBNMFPQ-CVEARBPZSA-N 2 2 347.459 3.149 20 5 EGBDLP CC[NH2+]CCC[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000566732069 316519404 /nfs/dbraw/zinc/51/94/04/316519404.db2.gz XENPEXHQLFSNLG-SFHVURJKSA-N 2 2 331.416 3.429 20 5 EGBDLP Cc1c([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917947 454235415 /nfs/dbraw/zinc/23/54/15/454235415.db2.gz DRFVMXBQJXHBTQ-FMKPAKJESA-N 2 2 335.448 3.053 20 5 EGBDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090846822 454345385 /nfs/dbraw/zinc/34/53/85/454345385.db2.gz JDJLIEXGUFZXEX-SFHVURJKSA-N 2 2 325.412 3.452 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134936511 454612408 /nfs/dbraw/zinc/61/24/08/454612408.db2.gz YZQHMXINYVPCGE-RDTXWAMCSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134936511 454612415 /nfs/dbraw/zinc/61/24/15/454612415.db2.gz YZQHMXINYVPCGE-RDTXWAMCSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000134936511 454612417 /nfs/dbraw/zinc/61/24/17/454612417.db2.gz YZQHMXINYVPCGE-RDTXWAMCSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000134936511 454612423 /nfs/dbraw/zinc/61/24/23/454612423.db2.gz YZQHMXINYVPCGE-RDTXWAMCSA-N 2 2 333.407 3.183 20 5 EGBDLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000182091372 455434399 /nfs/dbraw/zinc/43/43/99/455434399.db2.gz PYUMJTHMVLPJJH-HNNXBMFYSA-N 2 2 328.416 3.091 20 5 EGBDLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000182091372 455434402 /nfs/dbraw/zinc/43/44/02/455434402.db2.gz PYUMJTHMVLPJJH-HNNXBMFYSA-N 2 2 328.416 3.091 20 5 EGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000601116667 460716106 /nfs/dbraw/zinc/71/61/06/460716106.db2.gz WMFZAABWOPDZFF-OAHLLOKOSA-N 2 2 326.400 3.208 20 5 EGBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346691771 457115296 /nfs/dbraw/zinc/11/52/96/457115296.db2.gz WFMZWMZVLGXDEJ-CYBMUJFWSA-N 2 2 331.363 3.001 20 5 EGBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346691771 457115302 /nfs/dbraw/zinc/11/53/02/457115302.db2.gz WFMZWMZVLGXDEJ-CYBMUJFWSA-N 2 2 331.363 3.001 20 5 EGBDLP Cc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000371733213 458052816 /nfs/dbraw/zinc/05/28/16/458052816.db2.gz AXWOJFKMEFTBTL-ZDUSSCGKSA-N 2 2 337.383 3.179 20 5 EGBDLP CCOc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000373114960 458401455 /nfs/dbraw/zinc/40/14/55/458401455.db2.gz FXPULLDVBXFLGZ-HNNXBMFYSA-N 2 2 344.415 3.107 20 5 EGBDLP CCOc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000373114960 458401459 /nfs/dbraw/zinc/40/14/59/458401459.db2.gz FXPULLDVBXFLGZ-HNNXBMFYSA-N 2 2 344.415 3.107 20 5 EGBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000520499956 459065184 /nfs/dbraw/zinc/06/51/84/459065184.db2.gz UAUICFHBATYIID-QBPKDAKJSA-N 2 2 349.479 3.128 20 5 EGBDLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@H+]1CCCC[C@H]1C ZINC000520499956 459065188 /nfs/dbraw/zinc/06/51/88/459065188.db2.gz UAUICFHBATYIID-QBPKDAKJSA-N 2 2 349.479 3.128 20 5 EGBDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602662947 460052302 /nfs/dbraw/zinc/05/23/02/460052302.db2.gz OVIYIIFYQRNSAY-UHFFFAOYSA-N 2 2 332.404 3.044 20 5 EGBDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602662947 460052308 /nfs/dbraw/zinc/05/23/08/460052308.db2.gz OVIYIIFYQRNSAY-UHFFFAOYSA-N 2 2 332.404 3.044 20 5 EGBDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892944340 1305619351 /nfs/dbraw/zinc/61/93/51/1305619351.db2.gz OZBQHFILUUQUSG-ZDUSSCGKSA-N 2 2 325.840 3.458 20 5 EGBDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892944340 1305619355 /nfs/dbraw/zinc/61/93/55/1305619355.db2.gz OZBQHFILUUQUSG-ZDUSSCGKSA-N 2 2 325.840 3.458 20 5 EGBDLP c1[nH+]cn(-c2ccc3ccc4cccnc4c3n2)c1C1CC[NH2+]CC1 ZINC001155054249 1380399361 /nfs/dbraw/zinc/39/93/61/1380399361.db2.gz VXBUJCLKDNVJOL-UHFFFAOYSA-N 2 2 329.407 3.436 20 5 EGBDLP COc1ccc(C[C@@H](C)n2cc[nH+]c2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170353092 1384299007 /nfs/dbraw/zinc/29/90/07/1384299007.db2.gz VQRRDNRIVBPPLI-HIFRSBDPSA-N 2 2 344.415 3.071 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001172921785 1384879930 /nfs/dbraw/zinc/87/99/30/1384879930.db2.gz SZVWOGMJDVBBIG-IRXDYDNUSA-N 2 2 340.427 3.378 20 5 EGBDLP Cn1c[nH+]cc1C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001336900871 1389201752 /nfs/dbraw/zinc/20/17/52/1389201752.db2.gz VOXVLRMEZAWYJE-UHFFFAOYSA-N 2 2 337.383 3.261 20 5 EGBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860624 203249674 /nfs/dbraw/zinc/24/96/74/203249674.db2.gz HNMNPVIGIOJUHP-OAHLLOKOSA-N 2 2 335.448 3.156 20 5 EGBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860624 203249677 /nfs/dbraw/zinc/24/96/77/203249677.db2.gz HNMNPVIGIOJUHP-OAHLLOKOSA-N 2 2 335.448 3.156 20 5 EGBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860624 203249680 /nfs/dbraw/zinc/24/96/80/203249680.db2.gz HNMNPVIGIOJUHP-OAHLLOKOSA-N 2 2 335.448 3.156 20 5 EGBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860624 203249683 /nfs/dbraw/zinc/24/96/83/203249683.db2.gz HNMNPVIGIOJUHP-OAHLLOKOSA-N 2 2 335.448 3.156 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000276898966 275253897 /nfs/dbraw/zinc/25/38/97/275253897.db2.gz LJDVGZPAWZJEQS-RHSMWYFYSA-N 2 2 344.415 3.273 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000276898966 275253898 /nfs/dbraw/zinc/25/38/98/275253898.db2.gz LJDVGZPAWZJEQS-RHSMWYFYSA-N 2 2 344.415 3.273 20 5 EGBDLP COc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414653273 309093642 /nfs/dbraw/zinc/09/36/42/309093642.db2.gz HVAPIVOIGQSUSY-CYBMUJFWSA-N 2 2 345.399 3.177 20 5 EGBDLP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414653273 309093643 /nfs/dbraw/zinc/09/36/43/309093643.db2.gz HVAPIVOIGQSUSY-CYBMUJFWSA-N 2 2 345.399 3.177 20 5 EGBDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414808991 309102688 /nfs/dbraw/zinc/10/26/88/309102688.db2.gz FWASDKFGHCLGCY-ZDUSSCGKSA-N 2 2 334.445 3.325 20 5 EGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000429716389 309588181 /nfs/dbraw/zinc/58/81/81/309588181.db2.gz AELHCMLIKSICQW-UHFFFAOYSA-N 2 2 345.374 3.481 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931821 454611614 /nfs/dbraw/zinc/61/16/14/454611614.db2.gz IDXFKWKLMBJHQQ-CXAGYDPISA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931821 454611617 /nfs/dbraw/zinc/61/16/17/454611617.db2.gz IDXFKWKLMBJHQQ-CXAGYDPISA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931821 454611620 /nfs/dbraw/zinc/61/16/20/454611620.db2.gz IDXFKWKLMBJHQQ-CXAGYDPISA-N 2 2 333.407 3.183 20 5 EGBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000352540514 457450441 /nfs/dbraw/zinc/45/04/41/457450441.db2.gz MDQNIOUYXWKGGU-HNNXBMFYSA-N 2 2 346.456 3.422 20 5 EGBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000352540514 457450444 /nfs/dbraw/zinc/45/04/44/457450444.db2.gz MDQNIOUYXWKGGU-HNNXBMFYSA-N 2 2 346.456 3.422 20 5 EGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000494422190 458673867 /nfs/dbraw/zinc/67/38/67/458673867.db2.gz BKFPOXJRHBNGMA-CYBMUJFWSA-N 2 2 338.367 3.156 20 5 EGBDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064320 458924868 /nfs/dbraw/zinc/92/48/68/458924868.db2.gz YKBRRDUQAGBPTK-BRWVUGGUSA-N 2 2 349.479 3.129 20 5 EGBDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064320 458924872 /nfs/dbraw/zinc/92/48/72/458924872.db2.gz YKBRRDUQAGBPTK-BRWVUGGUSA-N 2 2 349.479 3.129 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000595008275 459214142 /nfs/dbraw/zinc/21/41/42/459214142.db2.gz UGXIRBFAWXNGAF-CYBMUJFWSA-N 2 2 344.415 3.030 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000595018905 459217941 /nfs/dbraw/zinc/21/79/41/459217941.db2.gz UNJLIKDSCIOFBD-CYBMUJFWSA-N 2 2 333.432 3.128 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000179432449 1294794651 /nfs/dbraw/zinc/79/46/51/1294794651.db2.gz OBFKVIMXEZVEAB-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000179432449 1294794659 /nfs/dbraw/zinc/79/46/59/1294794659.db2.gz OBFKVIMXEZVEAB-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055824 1384101520 /nfs/dbraw/zinc/10/15/20/1384101520.db2.gz QQZOHDLLBDNWKU-LPHOPBHVSA-N 2 2 349.450 3.167 20 5 EGBDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055824 1384101521 /nfs/dbraw/zinc/10/15/21/1384101521.db2.gz QQZOHDLLBDNWKU-LPHOPBHVSA-N 2 2 349.450 3.167 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001172921787 1384879498 /nfs/dbraw/zinc/87/94/98/1384879498.db2.gz SZVWOGMJDVBBIG-SJORKVTESA-N 2 2 340.427 3.378 20 5 EGBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232356 1384941605 /nfs/dbraw/zinc/94/16/05/1384941605.db2.gz AXHBWEUNVJAKPS-CRAIPNDOSA-N 2 2 341.411 3.383 20 5 EGBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232356 1384941609 /nfs/dbraw/zinc/94/16/09/1384941609.db2.gz AXHBWEUNVJAKPS-CRAIPNDOSA-N 2 2 341.411 3.383 20 5 EGBDLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000119903041 152237332 /nfs/dbraw/zinc/23/73/32/152237332.db2.gz FFNHNMHOSCKPIV-OAGGEKHMSA-N 2 2 335.448 3.053 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000166246846 226152341 /nfs/dbraw/zinc/15/23/41/226152341.db2.gz CMYQWAHTNSWSIP-XCRHUMRWSA-N 2 2 329.444 3.131 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@H+]1C1CC1 ZINC000166246846 226152347 /nfs/dbraw/zinc/15/23/47/226152347.db2.gz CMYQWAHTNSWSIP-XCRHUMRWSA-N 2 2 329.444 3.131 20 5 EGBDLP COCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097799 275303529 /nfs/dbraw/zinc/30/35/29/275303529.db2.gz NZEGRHDPUIEAJQ-GOSISDBHSA-N 2 2 347.459 3.018 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000449254228 310047737 /nfs/dbraw/zinc/04/77/37/310047737.db2.gz WUUPJXVSVIJITR-DNVCBOLYSA-N 2 2 327.428 3.418 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158961743 455341178 /nfs/dbraw/zinc/34/11/78/455341178.db2.gz XRPMQAXQOVAWDM-QAPCUYQASA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158961743 455341183 /nfs/dbraw/zinc/34/11/83/455341183.db2.gz XRPMQAXQOVAWDM-QAPCUYQASA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158961743 455341186 /nfs/dbraw/zinc/34/11/86/455341186.db2.gz XRPMQAXQOVAWDM-QAPCUYQASA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158961743 455341190 /nfs/dbraw/zinc/34/11/90/455341190.db2.gz XRPMQAXQOVAWDM-QAPCUYQASA-N 2 2 347.459 3.298 20 5 EGBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516291 453881427 /nfs/dbraw/zinc/88/14/27/453881427.db2.gz JVMIFZDSRSLPIA-OAHLLOKOSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516291 453881431 /nfs/dbraw/zinc/88/14/31/453881431.db2.gz JVMIFZDSRSLPIA-OAHLLOKOSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516291 453881435 /nfs/dbraw/zinc/88/14/35/453881435.db2.gz JVMIFZDSRSLPIA-OAHLLOKOSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516291 453881437 /nfs/dbraw/zinc/88/14/37/453881437.db2.gz JVMIFZDSRSLPIA-OAHLLOKOSA-N 2 2 335.448 3.157 20 5 EGBDLP Cc1cc(N2CCC(n3cc[nH+]c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000096008440 454261030 /nfs/dbraw/zinc/26/10/30/454261030.db2.gz HZSKNRQZHWLKGC-UHFFFAOYSA-N 2 2 337.383 3.489 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245586275 455336096 /nfs/dbraw/zinc/33/60/96/455336096.db2.gz JWRPICUVZNOMMD-YOEHRIQHSA-N 2 2 344.415 3.273 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245586275 455336101 /nfs/dbraw/zinc/33/61/01/455336101.db2.gz JWRPICUVZNOMMD-YOEHRIQHSA-N 2 2 344.415 3.273 20 5 EGBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000249040626 455742739 /nfs/dbraw/zinc/74/27/39/455742739.db2.gz UTVDLZZZBFDSMV-KHYOSLBOSA-N 2 2 347.459 3.061 20 5 EGBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000249040626 455742742 /nfs/dbraw/zinc/74/27/42/455742742.db2.gz UTVDLZZZBFDSMV-KHYOSLBOSA-N 2 2 347.459 3.061 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNc1cccc[nH+]1 ZINC000345042967 456907721 /nfs/dbraw/zinc/90/77/21/456907721.db2.gz DLHPWKMFQPBCKI-NTCAYCPXSA-N 2 2 326.400 3.485 20 5 EGBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801697 459148155 /nfs/dbraw/zinc/14/81/55/459148155.db2.gz GQKITJSUUUZPFL-NUJGCVRESA-N 2 2 331.460 3.237 20 5 EGBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801697 459148158 /nfs/dbraw/zinc/14/81/58/459148158.db2.gz GQKITJSUUUZPFL-NUJGCVRESA-N 2 2 331.460 3.237 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000595017757 459216300 /nfs/dbraw/zinc/21/63/00/459216300.db2.gz OENUITCNTNUSOQ-CABCVRRESA-N 2 2 335.448 3.376 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602516982 459977589 /nfs/dbraw/zinc/97/75/89/459977589.db2.gz UWAWRLKQUFTICN-UONOGXRCSA-N 2 2 343.349 3.330 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602516982 459977598 /nfs/dbraw/zinc/97/75/98/459977598.db2.gz UWAWRLKQUFTICN-UONOGXRCSA-N 2 2 343.349 3.330 20 5 EGBDLP COC1CC[NH+](CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618984863 460241912 /nfs/dbraw/zinc/24/19/12/460241912.db2.gz BINHIKBDWMDFAX-GOSISDBHSA-N 2 2 347.459 3.018 20 5 EGBDLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601164702 460736993 /nfs/dbraw/zinc/73/69/93/460736993.db2.gz FHZBPJCIDLZOEK-UKRRQHHQSA-N 2 2 326.400 3.206 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662959 1303544531 /nfs/dbraw/zinc/54/45/31/1303544531.db2.gz QJZQZGIPPLRNKH-UHFFFAOYSA-N 2 2 344.415 3.323 20 5 EGBDLP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000865731171 1329733752 /nfs/dbraw/zinc/73/37/52/1329733752.db2.gz FBQITJLBUBVABH-ZDUSSCGKSA-N 2 2 337.383 3.261 20 5 EGBDLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206363657 1371034214 /nfs/dbraw/zinc/03/42/14/1371034214.db2.gz ZBHWRSZGQUAOPZ-HXUWFJFHSA-N 2 2 338.430 3.436 20 5 EGBDLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206363657 1371034215 /nfs/dbraw/zinc/03/42/15/1371034215.db2.gz ZBHWRSZGQUAOPZ-HXUWFJFHSA-N 2 2 338.430 3.436 20 5 EGBDLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000157223320 206122907 /nfs/dbraw/zinc/12/29/07/206122907.db2.gz UDMIHKNMFRAQAG-INIZCTEOSA-N 2 2 333.432 3.054 20 5 EGBDLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000157223320 206122910 /nfs/dbraw/zinc/12/29/10/206122910.db2.gz UDMIHKNMFRAQAG-INIZCTEOSA-N 2 2 333.432 3.054 20 5 EGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266820884 286064779 /nfs/dbraw/zinc/06/47/79/286064779.db2.gz YZYKTRCQRRAJHJ-JZXOWHBKSA-N 2 2 349.475 3.382 20 5 EGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266820884 286064780 /nfs/dbraw/zinc/06/47/80/286064780.db2.gz YZYKTRCQRRAJHJ-JZXOWHBKSA-N 2 2 349.475 3.382 20 5 EGBDLP C[C@@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000310321917 154142052 /nfs/dbraw/zinc/14/20/52/154142052.db2.gz VFPANPQNDCAHDT-BEFAXECRSA-N 2 2 325.412 3.347 20 5 EGBDLP C[C@@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000310321917 154142054 /nfs/dbraw/zinc/14/20/54/154142054.db2.gz VFPANPQNDCAHDT-BEFAXECRSA-N 2 2 325.412 3.347 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349155596 156369820 /nfs/dbraw/zinc/36/98/20/156369820.db2.gz WBVXVLYRAKDHSO-DNXIFWLFSA-N 2 2 326.400 3.221 20 5 EGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000414794887 309101835 /nfs/dbraw/zinc/10/18/35/309101835.db2.gz GBJKKSTVFSZYJW-OAHLLOKOSA-N 2 2 335.791 3.335 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449076754 310035145 /nfs/dbraw/zinc/03/51/45/310035145.db2.gz HXFONCPSBSCSRD-HNNXBMFYSA-N 2 2 340.427 3.179 20 5 EGBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489829244 311121982 /nfs/dbraw/zinc/12/19/82/311121982.db2.gz IUGQUZGBACVYLA-UHFFFAOYSA-N 2 2 345.365 3.443 20 5 EGBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489829244 311121983 /nfs/dbraw/zinc/12/19/83/311121983.db2.gz IUGQUZGBACVYLA-UHFFFAOYSA-N 2 2 345.365 3.443 20 5 EGBDLP Cc1c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000536370237 314109621 /nfs/dbraw/zinc/10/96/21/314109621.db2.gz LAXDJCAHHQGODD-UHFFFAOYSA-N 2 2 326.400 3.375 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725806 460581172 /nfs/dbraw/zinc/58/11/72/460581172.db2.gz KFIBQPZZSKMNAI-WZRBSPASSA-N 2 2 331.338 3.115 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725806 460581178 /nfs/dbraw/zinc/58/11/78/460581178.db2.gz KFIBQPZZSKMNAI-WZRBSPASSA-N 2 2 331.338 3.115 20 5 EGBDLP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cn1cc[nH+]c1 ZINC000072082438 454271545 /nfs/dbraw/zinc/27/15/45/454271545.db2.gz JEBJAVCIBAZHFS-CQSZACIVSA-N 2 2 340.383 3.477 20 5 EGBDLP Cn1c(CCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH+]c2ccccc21 ZINC000124378782 454726325 /nfs/dbraw/zinc/72/63/25/454726325.db2.gz ILTONGRGZZLVOG-UHFFFAOYSA-N 2 2 330.413 3.265 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182377851 455501218 /nfs/dbraw/zinc/50/12/18/455501218.db2.gz YXMZMRKMWLTLMB-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182377851 455501221 /nfs/dbraw/zinc/50/12/21/455501221.db2.gz YXMZMRKMWLTLMB-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000192627810 455656929 /nfs/dbraw/zinc/65/69/29/455656929.db2.gz UTVDLZZZBFDSMV-SPYBWZPUSA-N 2 2 347.459 3.061 20 5 EGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000290836906 456442609 /nfs/dbraw/zinc/44/26/09/456442609.db2.gz INDBGRIREIJFHB-JTQLQIEISA-N 2 2 344.242 3.476 20 5 EGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000290836906 456442613 /nfs/dbraw/zinc/44/26/13/456442613.db2.gz INDBGRIREIJFHB-JTQLQIEISA-N 2 2 344.242 3.476 20 5 EGBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000352549926 457459590 /nfs/dbraw/zinc/45/95/90/457459590.db2.gz JGALOQGFYNYWHG-UHFFFAOYSA-N 2 2 336.395 3.455 20 5 EGBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000352549926 457459599 /nfs/dbraw/zinc/45/95/99/457459599.db2.gz JGALOQGFYNYWHG-UHFFFAOYSA-N 2 2 336.395 3.455 20 5 EGBDLP CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435615730 458173578 /nfs/dbraw/zinc/17/35/78/458173578.db2.gz IUHIWHATLUWTAW-MRXNPFEDSA-N 2 2 335.448 3.346 20 5 EGBDLP CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435615730 458173585 /nfs/dbraw/zinc/17/35/85/458173585.db2.gz IUHIWHATLUWTAW-MRXNPFEDSA-N 2 2 335.448 3.346 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000595403677 459292272 /nfs/dbraw/zinc/29/22/72/459292272.db2.gz HUPGKTYGYHBEOW-UHFFFAOYSA-N 2 2 330.363 3.205 20 5 EGBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595511466 459330583 /nfs/dbraw/zinc/33/05/83/459330583.db2.gz QYLSQXXDEYKAMZ-UHFFFAOYSA-N 2 2 339.439 3.392 20 5 EGBDLP C[N@H+](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000569868434 459522970 /nfs/dbraw/zinc/52/29/70/459522970.db2.gz YEJDOCFDCOTQFR-SFHVURJKSA-N 2 2 325.412 3.304 20 5 EGBDLP C[N@@H+](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000569868434 459522973 /nfs/dbraw/zinc/52/29/73/459522973.db2.gz YEJDOCFDCOTQFR-SFHVURJKSA-N 2 2 325.412 3.304 20 5 EGBDLP C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611585360 460410075 /nfs/dbraw/zinc/41/00/75/460410075.db2.gz CUQIHLPVMFQNJO-UONOGXRCSA-N 2 2 333.432 3.043 20 5 EGBDLP C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611585360 460410081 /nfs/dbraw/zinc/41/00/81/460410081.db2.gz CUQIHLPVMFQNJO-UONOGXRCSA-N 2 2 333.432 3.043 20 5 EGBDLP Cc1cc(N2CCCC[C@@H]2CC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601980527 460968187 /nfs/dbraw/zinc/96/81/87/460968187.db2.gz MNWGNXDAEIHRQF-OAHLLOKOSA-N 2 2 341.415 3.068 20 5 EGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000811471976 1318180287 /nfs/dbraw/zinc/18/02/87/1318180287.db2.gz QADLRYYYDVYLHU-UHFFFAOYSA-N 2 2 329.187 3.278 20 5 EGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000922482837 1322539252 /nfs/dbraw/zinc/53/92/52/1322539252.db2.gz NHPAIIMTPFMVKH-NTEUORMPSA-N 2 2 326.400 3.249 20 5 EGBDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169043814 1384099531 /nfs/dbraw/zinc/09/95/31/1384099531.db2.gz HUWBZRZXYOVAMU-YJBOKZPZSA-N 2 2 349.450 3.167 20 5 EGBDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169043814 1384099538 /nfs/dbraw/zinc/09/95/38/1384099538.db2.gz HUWBZRZXYOVAMU-YJBOKZPZSA-N 2 2 349.450 3.167 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001172900039 1384874122 /nfs/dbraw/zinc/87/41/22/1384874122.db2.gz RTRVVVKNVXRLBZ-GOSISDBHSA-N 2 2 331.460 3.308 20 5 EGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266820881 286063648 /nfs/dbraw/zinc/06/36/48/286063648.db2.gz YZYKTRCQRRAJHJ-BQFCYCMXSA-N 2 2 349.475 3.382 20 5 EGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266820881 286063649 /nfs/dbraw/zinc/06/36/49/286063649.db2.gz YZYKTRCQRRAJHJ-BQFCYCMXSA-N 2 2 349.475 3.382 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000279556961 275339717 /nfs/dbraw/zinc/33/97/17/275339717.db2.gz RKLAQOBEFPLHQX-KBPBESRZSA-N 2 2 343.349 3.330 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000279556961 275339718 /nfs/dbraw/zinc/33/97/18/275339718.db2.gz RKLAQOBEFPLHQX-KBPBESRZSA-N 2 2 343.349 3.330 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1Oc1ccc(F)cc1 ZINC000414820053 309103599 /nfs/dbraw/zinc/10/35/99/309103599.db2.gz ABVBLOAXTPBEKA-OAHLLOKOSA-N 2 2 345.374 3.368 20 5 EGBDLP C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414848298 309105341 /nfs/dbraw/zinc/10/53/41/309105341.db2.gz GKYDKSXXDAHRPJ-GXTWGEPZSA-N 2 2 346.456 3.196 20 5 EGBDLP C[NH+]1CCC([C@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413208478 309021557 /nfs/dbraw/zinc/02/15/57/309021557.db2.gz STCXKZWLUFOWFF-INIZCTEOSA-N 2 2 340.427 3.311 20 5 EGBDLP CSC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000413317213 309026543 /nfs/dbraw/zinc/02/65/43/309026543.db2.gz YIGOFLSQCHKWGW-UHFFFAOYSA-N 2 2 346.456 3.382 20 5 EGBDLP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000414882740 309107110 /nfs/dbraw/zinc/10/71/10/309107110.db2.gz CGYLTNLSLNYYRQ-HNNXBMFYSA-N 2 2 335.791 3.335 20 5 EGBDLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091488 309385425 /nfs/dbraw/zinc/38/54/25/309385425.db2.gz XFHHUJVWSFKHAS-KGLIPLIRSA-N 2 2 331.338 3.363 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000449088667 310036257 /nfs/dbraw/zinc/03/62/57/310036257.db2.gz BPIUGDQCEQSLNL-MRXNPFEDSA-N 2 2 327.428 3.247 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000449088667 310036258 /nfs/dbraw/zinc/03/62/58/310036258.db2.gz BPIUGDQCEQSLNL-MRXNPFEDSA-N 2 2 327.428 3.247 20 5 EGBDLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630529 311273789 /nfs/dbraw/zinc/27/37/89/311273789.db2.gz NHUUOTMPRKVRKL-GOEBONIOSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630529 311273791 /nfs/dbraw/zinc/27/37/91/311273791.db2.gz NHUUOTMPRKVRKL-GOEBONIOSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630529 311273792 /nfs/dbraw/zinc/27/37/92/311273792.db2.gz NHUUOTMPRKVRKL-GOEBONIOSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630529 311273794 /nfs/dbraw/zinc/27/37/94/311273794.db2.gz NHUUOTMPRKVRKL-GOEBONIOSA-N 2 2 335.448 3.298 20 5 EGBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493136084 311332576 /nfs/dbraw/zinc/33/25/76/311332576.db2.gz XZMIEJUYLPTPJD-ZDUSSCGKSA-N 2 2 334.807 3.418 20 5 EGBDLP Cc1cc[nH+]c(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000120889984 454361831 /nfs/dbraw/zinc/36/18/31/454361831.db2.gz YTMLRTCKFHYMIB-GQCTYLIASA-N 2 2 338.411 3.134 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000245503494 455315391 /nfs/dbraw/zinc/31/53/91/455315391.db2.gz IDYUZBQOMZKJQI-VNHYZAJKSA-N 2 2 333.432 3.269 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000245503494 455315396 /nfs/dbraw/zinc/31/53/96/455315396.db2.gz IDYUZBQOMZKJQI-VNHYZAJKSA-N 2 2 333.432 3.269 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cc[nH+]c1 ZINC000271115545 456130108 /nfs/dbraw/zinc/13/01/08/456130108.db2.gz IHGCDSVOOXVXPV-CQSZACIVSA-N 2 2 334.445 3.342 20 5 EGBDLP Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cccc1[N+](=O)[O-] ZINC000370669853 457696472 /nfs/dbraw/zinc/69/64/72/457696472.db2.gz RTRHPRFKXDUXHA-AWEZNQCLSA-N 2 2 337.383 3.335 20 5 EGBDLP Cc1c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000361460298 457739583 /nfs/dbraw/zinc/73/95/83/457739583.db2.gz USTZLWFXJVYTRB-UHFFFAOYSA-N 2 2 345.365 3.410 20 5 EGBDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000437074662 458425443 /nfs/dbraw/zinc/42/54/43/458425443.db2.gz JQLJVSDOOOGBBS-WBVHZDCISA-N 2 2 331.460 3.380 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000480266347 459190656 /nfs/dbraw/zinc/19/06/56/459190656.db2.gz OULJHTGDFREAKM-GOSISDBHSA-N 2 2 331.460 3.382 20 5 EGBDLP C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595431302 459299703 /nfs/dbraw/zinc/29/97/03/459299703.db2.gz ONMCMNBFDBXBRD-ZFWWWQNUSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000595431302 459299709 /nfs/dbraw/zinc/29/97/09/459299709.db2.gz ONMCMNBFDBXBRD-ZFWWWQNUSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562835 1319016029 /nfs/dbraw/zinc/01/60/29/1319016029.db2.gz NLPACURUUCZVPG-WBMJQRKESA-N 2 2 331.420 3.139 20 5 EGBDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001340938627 1390408970 /nfs/dbraw/zinc/40/89/70/1390408970.db2.gz AINBVRGTCLHVHT-QGZVFWFLSA-N 2 2 326.400 3.375 20 5 EGBDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001340938627 1390408971 /nfs/dbraw/zinc/40/89/71/1390408971.db2.gz AINBVRGTCLHVHT-QGZVFWFLSA-N 2 2 326.400 3.375 20 5 EGBDLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000157223476 206123415 /nfs/dbraw/zinc/12/34/15/206123415.db2.gz UDMIHKNMFRAQAG-MRXNPFEDSA-N 2 2 333.432 3.054 20 5 EGBDLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000157223476 206123418 /nfs/dbraw/zinc/12/34/18/206123418.db2.gz UDMIHKNMFRAQAG-MRXNPFEDSA-N 2 2 333.432 3.054 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000271198954 266620388 /nfs/dbraw/zinc/62/03/88/266620388.db2.gz YUNSZXFXPHUKPC-ZIAGYGMSSA-N 2 2 334.445 3.340 20 5 EGBDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414838955 309104821 /nfs/dbraw/zinc/10/48/21/309104821.db2.gz LBHAARPVSASJMU-CYBMUJFWSA-N 2 2 334.445 3.181 20 5 EGBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000415019176 309114718 /nfs/dbraw/zinc/11/47/18/309114718.db2.gz RPULTQNCJGRMNR-ZIAGYGMSSA-N 2 2 328.416 3.188 20 5 EGBDLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423317261 309394930 /nfs/dbraw/zinc/39/49/30/309394930.db2.gz KDYQVBCBTVJIRW-ZDUSSCGKSA-N 2 2 349.456 3.210 20 5 EGBDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423533225 309405286 /nfs/dbraw/zinc/40/52/86/309405286.db2.gz SQFOMKRDLMXGCX-FHLIZLRMSA-N 2 2 325.412 3.309 20 5 EGBDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000437074653 309786402 /nfs/dbraw/zinc/78/64/02/309786402.db2.gz JQLJVSDOOOGBBS-NVXWUHKLSA-N 2 2 331.460 3.380 20 5 EGBDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449151639 310040710 /nfs/dbraw/zinc/04/07/10/310040710.db2.gz AZNZMEZGMIYUDP-OAHLLOKOSA-N 2 2 349.475 3.005 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931843 454611588 /nfs/dbraw/zinc/61/15/88/454611588.db2.gz IDXFKWKLMBJHQQ-DYVFJYSZSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931843 454611591 /nfs/dbraw/zinc/61/15/91/454611591.db2.gz IDXFKWKLMBJHQQ-DYVFJYSZSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931843 454611594 /nfs/dbraw/zinc/61/15/94/454611594.db2.gz IDXFKWKLMBJHQQ-DYVFJYSZSA-N 2 2 333.407 3.183 20 5 EGBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1[NH3+] ZINC000261686176 455927148 /nfs/dbraw/zinc/92/71/48/455927148.db2.gz AQYUMHLPGATVFN-BONVTDFDSA-N 2 2 335.791 3.287 20 5 EGBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1[NH3+] ZINC000261686176 455927152 /nfs/dbraw/zinc/92/71/52/455927152.db2.gz AQYUMHLPGATVFN-BONVTDFDSA-N 2 2 335.791 3.287 20 5 EGBDLP Cc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1[N+](=O)[O-] ZINC000352761148 456284007 /nfs/dbraw/zinc/28/40/07/456284007.db2.gz UZJTYGMQYKUMLF-LBPRGKRZSA-N 2 2 334.445 3.272 20 5 EGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952878 456629772 /nfs/dbraw/zinc/62/97/72/456629772.db2.gz UPHBOPIIDPIMHB-INIZCTEOSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952878 456629781 /nfs/dbraw/zinc/62/97/81/456629781.db2.gz UPHBOPIIDPIMHB-INIZCTEOSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952878 456629790 /nfs/dbraw/zinc/62/97/90/456629790.db2.gz UPHBOPIIDPIMHB-INIZCTEOSA-N 2 2 335.448 3.157 20 5 EGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952878 456629795 /nfs/dbraw/zinc/62/97/95/456629795.db2.gz UPHBOPIIDPIMHB-INIZCTEOSA-N 2 2 335.448 3.157 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000283311540 456755989 /nfs/dbraw/zinc/75/59/89/456755989.db2.gz ZAOMKWDAQBHOGE-YOEHRIQHSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000283311540 456755999 /nfs/dbraw/zinc/75/59/99/456755999.db2.gz ZAOMKWDAQBHOGE-YOEHRIQHSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000283311540 456756002 /nfs/dbraw/zinc/75/60/02/456756002.db2.gz ZAOMKWDAQBHOGE-YOEHRIQHSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000283311540 456756009 /nfs/dbraw/zinc/75/60/09/456756009.db2.gz ZAOMKWDAQBHOGE-YOEHRIQHSA-N 2 2 333.407 3.183 20 5 EGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288047 457798700 /nfs/dbraw/zinc/79/87/00/457798700.db2.gz XYULPKKJTRRWMZ-UUWFMWQGSA-N 2 2 329.444 3.390 20 5 EGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288047 457798703 /nfs/dbraw/zinc/79/87/03/457798703.db2.gz XYULPKKJTRRWMZ-UUWFMWQGSA-N 2 2 329.444 3.390 20 5 EGBDLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000361689068 457821116 /nfs/dbraw/zinc/82/11/16/457821116.db2.gz FSFKZVFQXBUORT-HNNXBMFYSA-N 2 2 326.400 3.181 20 5 EGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377189942 458485488 /nfs/dbraw/zinc/48/54/88/458485488.db2.gz SDHWPBLWTOXYNT-CYBMUJFWSA-N 2 2 334.807 3.361 20 5 EGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377189942 458485491 /nfs/dbraw/zinc/48/54/91/458485491.db2.gz SDHWPBLWTOXYNT-CYBMUJFWSA-N 2 2 334.807 3.361 20 5 EGBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000583277789 459513488 /nfs/dbraw/zinc/51/34/88/459513488.db2.gz MGMNVMAVVOSFOC-GFCCVEGCSA-N 2 2 343.374 3.016 20 5 EGBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000583277789 459513493 /nfs/dbraw/zinc/51/34/93/459513493.db2.gz MGMNVMAVVOSFOC-GFCCVEGCSA-N 2 2 343.374 3.016 20 5 EGBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719221 460005126 /nfs/dbraw/zinc/00/51/26/460005126.db2.gz MICWGGOGHPYHRN-ACJLOTCBSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719221 460005133 /nfs/dbraw/zinc/00/51/33/460005133.db2.gz MICWGGOGHPYHRN-ACJLOTCBSA-N 2 2 327.384 3.168 20 5 EGBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602725118 460087509 /nfs/dbraw/zinc/08/75/09/460087509.db2.gz XKFOJOSFPXLASQ-LBPRGKRZSA-N 2 2 345.365 3.435 20 5 EGBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602725118 460087520 /nfs/dbraw/zinc/08/75/20/460087520.db2.gz XKFOJOSFPXLASQ-LBPRGKRZSA-N 2 2 345.365 3.435 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853094085 1323278706 /nfs/dbraw/zinc/27/87/06/1323278706.db2.gz XWFHFHRRKPRSTG-AWEZNQCLSA-N 2 2 337.851 3.460 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853094085 1323278712 /nfs/dbraw/zinc/27/87/12/1323278712.db2.gz XWFHFHRRKPRSTG-AWEZNQCLSA-N 2 2 337.851 3.460 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157258319 206124954 /nfs/dbraw/zinc/12/49/54/206124954.db2.gz ZILDHGHCLTZCAR-INIZCTEOSA-N 2 2 333.432 3.054 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157258319 206124959 /nfs/dbraw/zinc/12/49/59/206124959.db2.gz ZILDHGHCLTZCAR-INIZCTEOSA-N 2 2 333.432 3.054 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000269703139 141060112 /nfs/dbraw/zinc/06/01/12/141060112.db2.gz YZQHMXINYVPCGE-KSSFIOAISA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000269703139 141060113 /nfs/dbraw/zinc/06/01/13/141060113.db2.gz YZQHMXINYVPCGE-KSSFIOAISA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000269703139 141060115 /nfs/dbraw/zinc/06/01/15/141060115.db2.gz YZQHMXINYVPCGE-KSSFIOAISA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000269703139 141060116 /nfs/dbraw/zinc/06/01/16/141060116.db2.gz YZQHMXINYVPCGE-KSSFIOAISA-N 2 2 333.407 3.183 20 5 EGBDLP Cc1ccc(CCC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c[nH+]1 ZINC000353444679 141296976 /nfs/dbraw/zinc/29/69/76/141296976.db2.gz ZYYIFHCNKQWBEF-UHFFFAOYSA-N 2 2 340.427 3.053 20 5 EGBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293932947 308175137 /nfs/dbraw/zinc/17/51/37/308175137.db2.gz YZBVGFKREXRARN-UHFFFAOYSA-N 2 2 342.321 3.332 20 5 EGBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293932947 308175139 /nfs/dbraw/zinc/17/51/39/308175139.db2.gz YZBVGFKREXRARN-UHFFFAOYSA-N 2 2 342.321 3.332 20 5 EGBDLP COCCC[NH+]1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413108208 309016595 /nfs/dbraw/zinc/01/65/95/309016595.db2.gz DMEBUKLGYIOMQO-UHFFFAOYSA-N 2 2 344.415 3.056 20 5 EGBDLP O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000554225037 315303682 /nfs/dbraw/zinc/30/36/82/315303682.db2.gz SVRZENUXQRBGRK-UHFFFAOYSA-N 2 2 348.406 3.465 20 5 EGBDLP CC[NH+]1CCC([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089907954 454231717 /nfs/dbraw/zinc/23/17/17/454231717.db2.gz JSFRWPZTEPRUKC-UHFFFAOYSA-N 2 2 344.415 3.166 20 5 EGBDLP CC[NH+]1CCC([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089907954 454231722 /nfs/dbraw/zinc/23/17/22/454231722.db2.gz JSFRWPZTEPRUKC-UHFFFAOYSA-N 2 2 344.415 3.166 20 5 EGBDLP CCC[NH+]1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000079051043 454360776 /nfs/dbraw/zinc/36/07/76/454360776.db2.gz ISWYIQOTBSFEJC-UHFFFAOYSA-N 2 2 332.404 3.042 20 5 EGBDLP CCC[NH+]1CCC([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000079051043 454360781 /nfs/dbraw/zinc/36/07/81/454360781.db2.gz ISWYIQOTBSFEJC-UHFFFAOYSA-N 2 2 332.404 3.042 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000246861608 455531716 /nfs/dbraw/zinc/53/17/16/455531716.db2.gz CMYQWAHTNSWSIP-RPVQJOFSSA-N 2 2 329.444 3.131 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@H+]1C1CC1 ZINC000246861608 455531719 /nfs/dbraw/zinc/53/17/19/455531719.db2.gz CMYQWAHTNSWSIP-RPVQJOFSSA-N 2 2 329.444 3.131 20 5 EGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCc3ccc(N4CCCC4)[nH+]c3)c2c1 ZINC000601102847 460711314 /nfs/dbraw/zinc/71/13/14/460711314.db2.gz HHNFCGOPVWBFGI-UHFFFAOYSA-N 2 2 349.394 3.172 20 5 EGBDLP CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353123874 456505428 /nfs/dbraw/zinc/50/54/28/456505428.db2.gz IWSSMJQIOYNTAD-OQLLNIDSSA-N 2 2 349.394 3.172 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000360029044 457213228 /nfs/dbraw/zinc/21/32/28/457213228.db2.gz ZOYSFEUNIAAGHK-OAHLLOKOSA-N 2 2 333.775 3.297 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000360029044 457213233 /nfs/dbraw/zinc/21/32/33/457213233.db2.gz ZOYSFEUNIAAGHK-OAHLLOKOSA-N 2 2 333.775 3.297 20 5 EGBDLP C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435431636 458144505 /nfs/dbraw/zinc/14/45/05/458144505.db2.gz JQZIESXOYAEHPI-HNNXBMFYSA-N 2 2 346.456 3.292 20 5 EGBDLP C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435431636 458144512 /nfs/dbraw/zinc/14/45/12/458144512.db2.gz JQZIESXOYAEHPI-HNNXBMFYSA-N 2 2 346.456 3.292 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000595386659 459288538 /nfs/dbraw/zinc/28/85/38/459288538.db2.gz KCQVFWHXQZEVEJ-GUYCJALGSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000595386659 459288543 /nfs/dbraw/zinc/28/85/43/459288543.db2.gz KCQVFWHXQZEVEJ-GUYCJALGSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000595386659 459288548 /nfs/dbraw/zinc/28/85/48/459288548.db2.gz KCQVFWHXQZEVEJ-GUYCJALGSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000595386659 459288552 /nfs/dbraw/zinc/28/85/52/459288552.db2.gz KCQVFWHXQZEVEJ-GUYCJALGSA-N 2 2 333.407 3.183 20 5 EGBDLP CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602497590 459970143 /nfs/dbraw/zinc/97/01/43/459970143.db2.gz CLQHLHNANKZKNV-UHFFFAOYSA-N 2 2 331.338 3.188 20 5 EGBDLP C[C@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000602606177 460018958 /nfs/dbraw/zinc/01/89/58/460018958.db2.gz BKTQIOXZQFMXPN-CYBMUJFWSA-N 2 2 332.404 3.090 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610945180 460263890 /nfs/dbraw/zinc/26/38/90/460263890.db2.gz QZQXROOTDIGZOS-KRWDZBQOSA-N 2 2 344.415 3.416 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610945180 460263893 /nfs/dbraw/zinc/26/38/93/460263893.db2.gz QZQXROOTDIGZOS-KRWDZBQOSA-N 2 2 344.415 3.416 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000166246731 533658392 /nfs/dbraw/zinc/65/83/92/533658392.db2.gz CMYQWAHTNSWSIP-QBIMZIAESA-N 2 2 329.444 3.131 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@H+]1C1CC1 ZINC000166246731 533658398 /nfs/dbraw/zinc/65/83/98/533658398.db2.gz CMYQWAHTNSWSIP-QBIMZIAESA-N 2 2 329.444 3.131 20 5 EGBDLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000119902728 152236767 /nfs/dbraw/zinc/23/67/67/152236767.db2.gz FFNHNMHOSCKPIV-XHSDSOJGSA-N 2 2 335.448 3.053 20 5 EGBDLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000119902728 152236772 /nfs/dbraw/zinc/23/67/72/152236772.db2.gz FFNHNMHOSCKPIV-XHSDSOJGSA-N 2 2 335.448 3.053 20 5 EGBDLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119926640 152238921 /nfs/dbraw/zinc/23/89/21/152238921.db2.gz ZOIYPBFYGVFJHD-RKVPGOIHSA-N 2 2 335.448 3.135 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000131258087 162395768 /nfs/dbraw/zinc/39/57/68/162395768.db2.gz QPXIBGCMGRMTAT-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000131258087 162395773 /nfs/dbraw/zinc/39/57/73/162395773.db2.gz QPXIBGCMGRMTAT-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000166246473 226153497 /nfs/dbraw/zinc/15/34/97/226153497.db2.gz CMYQWAHTNSWSIP-SKDZVZGDSA-N 2 2 329.444 3.131 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@H+]1C1CC1 ZINC000166246473 226153502 /nfs/dbraw/zinc/15/35/02/226153502.db2.gz CMYQWAHTNSWSIP-SKDZVZGDSA-N 2 2 329.444 3.131 20 5 EGBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414926547 309109679 /nfs/dbraw/zinc/10/96/79/309109679.db2.gz JTHBXKAAVXEYSA-LLVKDONJSA-N 2 2 335.791 3.477 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427884972 309537685 /nfs/dbraw/zinc/53/76/85/309537685.db2.gz VDVIMYZGIZWOBX-UONOGXRCSA-N 2 2 346.456 3.267 20 5 EGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059612 310033668 /nfs/dbraw/zinc/03/36/68/310033668.db2.gz CAGFVMNOVQHDLA-AWEZNQCLSA-N 2 2 338.411 3.474 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000135227905 454650475 /nfs/dbraw/zinc/65/04/75/454650475.db2.gz QQUVGNXIRNHEFU-UHFFFAOYSA-N 2 2 349.394 3.340 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000135227905 454650480 /nfs/dbraw/zinc/65/04/80/454650480.db2.gz QQUVGNXIRNHEFU-UHFFFAOYSA-N 2 2 349.394 3.340 20 5 EGBDLP Cc1c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000152778514 454724820 /nfs/dbraw/zinc/72/48/20/454724820.db2.gz KOGIMPWMLYIQSC-AWEZNQCLSA-N 2 2 328.416 3.329 20 5 EGBDLP CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189256 454873195 /nfs/dbraw/zinc/87/31/95/454873195.db2.gz IDYUZBQOMZKJQI-GUTXKFCHSA-N 2 2 333.432 3.269 20 5 EGBDLP CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189256 454873198 /nfs/dbraw/zinc/87/31/98/454873198.db2.gz IDYUZBQOMZKJQI-GUTXKFCHSA-N 2 2 333.432 3.269 20 5 EGBDLP Cc1c([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247888514 455652741 /nfs/dbraw/zinc/65/27/41/455652741.db2.gz DRFVMXBQJXHBTQ-DZKIICNBSA-N 2 2 335.448 3.053 20 5 EGBDLP Cc1cc[nH+]c(N2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000601131094 460724032 /nfs/dbraw/zinc/72/40/32/460724032.db2.gz SKJNBMSLGRBMIQ-UHFFFAOYSA-N 2 2 349.394 3.173 20 5 EGBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310209411 456579433 /nfs/dbraw/zinc/57/94/33/456579433.db2.gz AQPXVMDFWPCTDT-IBGZPJMESA-N 2 2 339.439 3.392 20 5 EGBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310209411 456579439 /nfs/dbraw/zinc/57/94/39/456579439.db2.gz AQPXVMDFWPCTDT-IBGZPJMESA-N 2 2 339.439 3.392 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428702 457111376 /nfs/dbraw/zinc/11/13/76/457111376.db2.gz UXEMMIJOJZBLMS-IBGZPJMESA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428702 457111381 /nfs/dbraw/zinc/11/13/81/457111381.db2.gz UXEMMIJOJZBLMS-IBGZPJMESA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428702 457111385 /nfs/dbraw/zinc/11/13/85/457111385.db2.gz UXEMMIJOJZBLMS-IBGZPJMESA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428702 457111390 /nfs/dbraw/zinc/11/13/90/457111390.db2.gz UXEMMIJOJZBLMS-IBGZPJMESA-N 2 2 347.459 3.300 20 5 EGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000376041057 458173395 /nfs/dbraw/zinc/17/33/95/458173395.db2.gz DPQOIGMTCLVYRL-RRGWEWPQSA-N 2 2 326.400 3.221 20 5 EGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000376041057 458173399 /nfs/dbraw/zinc/17/33/99/458173399.db2.gz DPQOIGMTCLVYRL-RRGWEWPQSA-N 2 2 326.400 3.221 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)s2)cc1 ZINC000591281662 459346845 /nfs/dbraw/zinc/34/68/45/459346845.db2.gz JPJYOWNYJCGSKN-STQMWFEESA-N 2 2 335.404 3.113 20 5 EGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000872063690 1296710512 /nfs/dbraw/zinc/71/05/12/1296710512.db2.gz RZPKKRCBVVZUGK-NEPJUHHUSA-N 2 2 332.429 3.179 20 5 EGBDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811480284 1318181743 /nfs/dbraw/zinc/18/17/43/1318181743.db2.gz SMJSAXXUUKKQLX-JTQLQIEISA-N 2 2 332.231 3.333 20 5 EGBDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811480284 1318181747 /nfs/dbraw/zinc/18/17/47/1318181747.db2.gz SMJSAXXUUKKQLX-JTQLQIEISA-N 2 2 332.231 3.333 20 5 EGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCNc1cccc[nH+]1 ZINC000866282331 1330090486 /nfs/dbraw/zinc/09/04/86/1330090486.db2.gz NCYDEMAUJLLONA-ZDUSSCGKSA-N 2 2 332.379 3.152 20 5 EGBDLP C[NH+](C)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169003126 1384085319 /nfs/dbraw/zinc/08/53/19/1384085319.db2.gz NSBRQTXQHIBYBF-HDFHTSGDSA-N 2 2 349.519 3.168 20 5 EGBDLP C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169010023 1384088284 /nfs/dbraw/zinc/08/82/84/1384088284.db2.gz AIISPEMYWOAUOT-HKUYNNGSSA-N 2 2 331.460 3.028 20 5 EGBDLP C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169010023 1384088287 /nfs/dbraw/zinc/08/82/87/1384088287.db2.gz AIISPEMYWOAUOT-HKUYNNGSSA-N 2 2 331.460 3.028 20 5 EGBDLP COc1ccc(C[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC001170351765 1384298110 /nfs/dbraw/zinc/29/81/10/1384298110.db2.gz IHFCKGACXFCOBX-CQSZACIVSA-N 2 2 344.415 3.068 20 5 EGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000377294112 169007045 /nfs/dbraw/zinc/00/70/45/169007045.db2.gz REAVFMWSTHTATD-CYBMUJFWSA-N 2 2 334.807 3.361 20 5 EGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000377294112 169007048 /nfs/dbraw/zinc/00/70/48/169007048.db2.gz REAVFMWSTHTATD-CYBMUJFWSA-N 2 2 334.807 3.361 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000344610643 144198232 /nfs/dbraw/zinc/19/82/32/144198232.db2.gz AYRUXAOPTKYLDT-UONOGXRCSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000344610643 144198234 /nfs/dbraw/zinc/19/82/34/144198234.db2.gz AYRUXAOPTKYLDT-UONOGXRCSA-N 2 2 329.400 3.427 20 5 EGBDLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414892611 309107812 /nfs/dbraw/zinc/10/78/12/309107812.db2.gz QHCJBOPMWRISIS-QGZVFWFLSA-N 2 2 340.427 3.190 20 5 EGBDLP C[C@@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC[NH2+]C1 ZINC000414905530 309108571 /nfs/dbraw/zinc/10/85/71/309108571.db2.gz LKNCXBZSEKZMNY-QGZVFWFLSA-N 2 2 346.456 3.198 20 5 EGBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414939452 309110357 /nfs/dbraw/zinc/11/03/57/309110357.db2.gz GFIHZNRSTNCOED-NSHDSACASA-N 2 2 335.791 3.477 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000415063035 309117820 /nfs/dbraw/zinc/11/78/20/309117820.db2.gz GQMIXUCYJBATLL-SFHVURJKSA-N 2 2 343.427 3.346 20 5 EGBDLP CCC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090046595 454265739 /nfs/dbraw/zinc/26/57/39/454265739.db2.gz XAPWDUINJQZYSZ-CRAIPNDOSA-N 2 2 335.448 3.136 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360167217 457285233 /nfs/dbraw/zinc/28/52/33/457285233.db2.gz VZIYFWUJRCEHJY-UHFFFAOYSA-N 2 2 335.448 3.205 20 5 EGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288045 457798979 /nfs/dbraw/zinc/79/89/79/457798979.db2.gz XYULPKKJTRRWMZ-PJSAGSTRSA-N 2 2 329.444 3.390 20 5 EGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288045 457798984 /nfs/dbraw/zinc/79/89/84/457798984.db2.gz XYULPKKJTRRWMZ-PJSAGSTRSA-N 2 2 329.444 3.390 20 5 EGBDLP CN(c1ccccc1)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000435397843 458137144 /nfs/dbraw/zinc/13/71/44/458137144.db2.gz LCOMVCXHPBOBQF-UHFFFAOYSA-N 2 2 340.427 3.286 20 5 EGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373105065 458398521 /nfs/dbraw/zinc/39/85/21/458398521.db2.gz ULXOVQQSAXDIJD-LBPRGKRZSA-N 2 2 334.807 3.361 20 5 EGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373105065 458398526 /nfs/dbraw/zinc/39/85/26/458398526.db2.gz ULXOVQQSAXDIJD-LBPRGKRZSA-N 2 2 334.807 3.361 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442756449 459031946 /nfs/dbraw/zinc/03/19/46/459031946.db2.gz KLBSLXXOWCMXJK-FKEKPDDDSA-N 2 2 333.432 3.097 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442756449 459031949 /nfs/dbraw/zinc/03/19/49/459031949.db2.gz KLBSLXXOWCMXJK-FKEKPDDDSA-N 2 2 333.432 3.097 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000559295932 459249502 /nfs/dbraw/zinc/24/95/02/459249502.db2.gz QTLXXYXTEXMLID-UHFFFAOYSA-N 2 2 342.399 3.075 20 5 EGBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)cc1 ZINC000124010262 1293464013 /nfs/dbraw/zinc/46/40/13/1293464013.db2.gz BEGVLLCYDIJVMS-UHFFFAOYSA-N 2 2 346.475 3.029 20 5 EGBDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992774 1384080701 /nfs/dbraw/zinc/08/07/01/1384080701.db2.gz KOAUDPPOFGMGMX-QAPCUYQASA-N 2 2 349.450 3.134 20 5 EGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001173214573 1384936974 /nfs/dbraw/zinc/93/69/74/1384936974.db2.gz PICQZHONCPPCKV-MRXNPFEDSA-N 2 2 339.439 3.247 20 5 EGBDLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414808988 309102815 /nfs/dbraw/zinc/10/28/15/309102815.db2.gz FWASDKFGHCLGCY-CYBMUJFWSA-N 2 2 334.445 3.325 20 5 EGBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000414870750 309106548 /nfs/dbraw/zinc/10/65/48/309106548.db2.gz CHRUODGHZGPMHT-UHFFFAOYSA-N 2 2 335.791 3.479 20 5 EGBDLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414874794 309106706 /nfs/dbraw/zinc/10/67/06/309106706.db2.gz ZFTURGNUSSKSFI-INIZCTEOSA-N 2 2 340.427 3.204 20 5 EGBDLP COc1c(C)c[nH+]c(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1C ZINC000451374318 310174901 /nfs/dbraw/zinc/17/49/01/310174901.db2.gz KIGIYKWJAPZHFM-UHFFFAOYSA-N 2 2 345.399 3.126 20 5 EGBDLP COc1c(C)c[nH+]c(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c1C ZINC000451374318 310174902 /nfs/dbraw/zinc/17/49/02/310174902.db2.gz KIGIYKWJAPZHFM-UHFFFAOYSA-N 2 2 345.399 3.126 20 5 EGBDLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630533 311273753 /nfs/dbraw/zinc/27/37/53/311273753.db2.gz NHUUOTMPRKVRKL-ZBFHGGJFSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630533 311273754 /nfs/dbraw/zinc/27/37/54/311273754.db2.gz NHUUOTMPRKVRKL-ZBFHGGJFSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630533 311273756 /nfs/dbraw/zinc/27/37/56/311273756.db2.gz NHUUOTMPRKVRKL-ZBFHGGJFSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630533 311273757 /nfs/dbraw/zinc/27/37/57/311273757.db2.gz NHUUOTMPRKVRKL-ZBFHGGJFSA-N 2 2 335.448 3.298 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000504911526 312012360 /nfs/dbraw/zinc/01/23/60/312012360.db2.gz HUGKBCBSOBQIRG-ZBFHGGJFSA-N 2 2 337.489 3.395 20 5 EGBDLP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917545 454235472 /nfs/dbraw/zinc/23/54/72/454235472.db2.gz DRFVMXBQJXHBTQ-IJEWVQPXSA-N 2 2 335.448 3.053 20 5 EGBDLP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917545 454235478 /nfs/dbraw/zinc/23/54/78/454235478.db2.gz DRFVMXBQJXHBTQ-IJEWVQPXSA-N 2 2 335.448 3.053 20 5 EGBDLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903527 454607184 /nfs/dbraw/zinc/60/71/84/454607184.db2.gz PTBNGIWJAGJKDN-NVXWUHKLSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903527 454607188 /nfs/dbraw/zinc/60/71/88/454607188.db2.gz PTBNGIWJAGJKDN-NVXWUHKLSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903527 454607193 /nfs/dbraw/zinc/60/71/93/454607193.db2.gz PTBNGIWJAGJKDN-NVXWUHKLSA-N 2 2 345.443 3.052 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000245503493 455316246 /nfs/dbraw/zinc/31/62/46/455316246.db2.gz IDYUZBQOMZKJQI-IPYPFGDCSA-N 2 2 333.432 3.269 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000245503493 455316249 /nfs/dbraw/zinc/31/62/49/455316249.db2.gz IDYUZBQOMZKJQI-IPYPFGDCSA-N 2 2 333.432 3.269 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000191518291 455492833 /nfs/dbraw/zinc/49/28/33/455492833.db2.gz IQLSIJATKDYPDI-UHFFFAOYSA-N 2 2 334.395 3.405 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000191518291 455492839 /nfs/dbraw/zinc/49/28/39/455492839.db2.gz IQLSIJATKDYPDI-UHFFFAOYSA-N 2 2 334.395 3.405 20 5 EGBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000192627779 455657340 /nfs/dbraw/zinc/65/73/40/455657340.db2.gz UTVDLZZZBFDSMV-ZRGWGRIASA-N 2 2 347.459 3.061 20 5 EGBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000192627779 455657346 /nfs/dbraw/zinc/65/73/46/455657346.db2.gz UTVDLZZZBFDSMV-ZRGWGRIASA-N 2 2 347.459 3.061 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNc1cccc[nH+]1 ZINC000345042968 456908091 /nfs/dbraw/zinc/90/80/91/456908091.db2.gz DLHPWKMFQPBCKI-QINSGFPZSA-N 2 2 326.400 3.485 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000367438314 457953637 /nfs/dbraw/zinc/95/36/37/457953637.db2.gz MEOFCSTZFAPOOS-KRWDZBQOSA-N 2 2 340.427 3.239 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423430167 458431011 /nfs/dbraw/zinc/43/10/11/458431011.db2.gz POCIXDQLGHPFJH-RDTXWAMCSA-N 2 2 325.412 3.002 20 5 EGBDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556924309 459033850 /nfs/dbraw/zinc/03/38/50/459033850.db2.gz QROBGEPSYXVTDA-ZWKOTPCHSA-N 2 2 331.460 3.380 20 5 EGBDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556924309 459033854 /nfs/dbraw/zinc/03/38/54/459033854.db2.gz QROBGEPSYXVTDA-ZWKOTPCHSA-N 2 2 331.460 3.380 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001172900040 1384874381 /nfs/dbraw/zinc/87/43/81/1384874381.db2.gz RTRVVVKNVXRLBZ-SFHVURJKSA-N 2 2 331.460 3.308 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001172920927 1384878930 /nfs/dbraw/zinc/87/89/30/1384878930.db2.gz MKKMUEYPSFZIFB-QGZVFWFLSA-N 2 2 340.427 3.376 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000344815495 144227557 /nfs/dbraw/zinc/22/75/57/144227557.db2.gz BPOFNLVTGWYNBA-GNBKXHOFSA-N 2 2 347.459 3.087 20 5 EGBDLP CCOc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000365192224 168033075 /nfs/dbraw/zinc/03/30/75/168033075.db2.gz PIJCQGHVFQPGQT-UHFFFAOYSA-N 2 2 333.432 3.054 20 5 EGBDLP CCOc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000365192224 168033077 /nfs/dbraw/zinc/03/30/77/168033077.db2.gz PIJCQGHVFQPGQT-UHFFFAOYSA-N 2 2 333.432 3.054 20 5 EGBDLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414883382 309107169 /nfs/dbraw/zinc/10/71/69/309107169.db2.gz ADJBMZXOFDGZNN-QZTJIDSGSA-N 2 2 343.402 3.278 20 5 EGBDLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000415072023 309118319 /nfs/dbraw/zinc/11/83/19/309118319.db2.gz XJYNEBOYQOUGJV-MRXNPFEDSA-N 2 2 346.456 3.325 20 5 EGBDLP Cc1cc(NCCCn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000091424702 454432987 /nfs/dbraw/zinc/43/29/87/454432987.db2.gz SNYWLJJEFWFPFN-UHFFFAOYSA-N 2 2 338.371 3.059 20 5 EGBDLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000152786343 454726000 /nfs/dbraw/zinc/72/60/00/454726000.db2.gz AEXDYKRRINKJJG-KRWDZBQOSA-N 2 2 328.416 3.411 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354082579 457049677 /nfs/dbraw/zinc/04/96/77/457049677.db2.gz KYMBHWFVJCZEKT-MRXNPFEDSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354082579 457049681 /nfs/dbraw/zinc/04/96/81/457049681.db2.gz KYMBHWFVJCZEKT-MRXNPFEDSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354082579 457049686 /nfs/dbraw/zinc/04/96/86/457049686.db2.gz KYMBHWFVJCZEKT-MRXNPFEDSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354082579 457049692 /nfs/dbraw/zinc/04/96/92/457049692.db2.gz KYMBHWFVJCZEKT-MRXNPFEDSA-N 2 2 347.459 3.157 20 5 EGBDLP CCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[NH2+]C1 ZINC000470008307 458605990 /nfs/dbraw/zinc/60/59/90/458605990.db2.gz JYKQIPFCGLEBQH-INIZCTEOSA-N 2 2 329.400 3.429 20 5 EGBDLP CCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[NH2+]C1 ZINC000470008307 458605992 /nfs/dbraw/zinc/60/59/92/458605992.db2.gz JYKQIPFCGLEBQH-INIZCTEOSA-N 2 2 329.400 3.429 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595453311 459308383 /nfs/dbraw/zinc/30/83/83/459308383.db2.gz CHCQLAHAVQRQSM-UHFFFAOYSA-N 2 2 334.395 3.405 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595453311 459308387 /nfs/dbraw/zinc/30/83/87/459308387.db2.gz CHCQLAHAVQRQSM-UHFFFAOYSA-N 2 2 334.395 3.405 20 5 EGBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480864 459958968 /nfs/dbraw/zinc/95/89/68/459958968.db2.gz ZPXLWBITOJYJJN-LBPRGKRZSA-N 2 2 345.365 3.387 20 5 EGBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480864 459958975 /nfs/dbraw/zinc/95/89/75/459958975.db2.gz ZPXLWBITOJYJJN-LBPRGKRZSA-N 2 2 345.365 3.387 20 5 EGBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480864 459958979 /nfs/dbraw/zinc/95/89/79/459958979.db2.gz ZPXLWBITOJYJJN-LBPRGKRZSA-N 2 2 345.365 3.387 20 5 EGBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480864 459958985 /nfs/dbraw/zinc/95/89/85/459958985.db2.gz ZPXLWBITOJYJJN-LBPRGKRZSA-N 2 2 345.365 3.387 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000179432453 1294793386 /nfs/dbraw/zinc/79/33/86/1294793386.db2.gz OBFKVIMXEZVEAB-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000179432453 1294793394 /nfs/dbraw/zinc/79/33/94/1294793394.db2.gz OBFKVIMXEZVEAB-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP Cc1[nH]c(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000886666312 1303546243 /nfs/dbraw/zinc/54/62/43/1303546243.db2.gz QTMQGMCVYIPXDN-UHFFFAOYSA-N 2 2 332.379 3.453 20 5 EGBDLP COc1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000886668711 1303548959 /nfs/dbraw/zinc/54/89/59/1303548959.db2.gz YHCNODJSPJIGLT-UHFFFAOYSA-N 2 2 344.415 3.323 20 5 EGBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848521292 1321968538 /nfs/dbraw/zinc/96/85/38/1321968538.db2.gz MMMISXRTPYSTOQ-QGZVFWFLSA-N 2 2 349.394 3.261 20 5 EGBDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC001324297113 1387586395 /nfs/dbraw/zinc/58/63/95/1387586395.db2.gz HFJSZBBUWQXKCM-MRXNPFEDSA-N 2 2 326.400 3.375 20 5 EGBDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC001324297113 1387586399 /nfs/dbraw/zinc/58/63/99/1387586399.db2.gz HFJSZBBUWQXKCM-MRXNPFEDSA-N 2 2 326.400 3.375 20 5 EGBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)C1C[NH+](C)C1 ZINC001142598772 1378463455 /nfs/dbraw/zinc/46/34/55/1378463455.db2.gz FCADPVOYJKCUKQ-UHFFFAOYSA-N 2 2 348.450 3.263 20 5 EGBDLP C[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000310321918 154142331 /nfs/dbraw/zinc/14/23/31/154142331.db2.gz VFPANPQNDCAHDT-DNVCBOLYSA-N 2 2 325.412 3.347 20 5 EGBDLP C[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000310321918 154142335 /nfs/dbraw/zinc/14/23/35/154142335.db2.gz VFPANPQNDCAHDT-DNVCBOLYSA-N 2 2 325.412 3.347 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000267057921 266278046 /nfs/dbraw/zinc/27/80/46/266278046.db2.gz SFSSTYWFUQECEP-UHFFFAOYSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000267057921 266278051 /nfs/dbraw/zinc/27/80/51/266278051.db2.gz SFSSTYWFUQECEP-UHFFFAOYSA-N 2 2 335.448 3.298 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000449061245 310033946 /nfs/dbraw/zinc/03/39/46/310033946.db2.gz IASXKDPZADYPHQ-APWZRJJASA-N 2 2 341.455 3.288 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494444448 311478600 /nfs/dbraw/zinc/47/86/00/311478600.db2.gz LZUNGMMBWJLSMA-CQSZACIVSA-N 2 2 338.367 3.156 20 5 EGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824379 324279825 /nfs/dbraw/zinc/27/98/25/324279825.db2.gz NYGXLZKQEXKXGL-UZLBHIALSA-N 2 2 339.439 3.247 20 5 EGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824379 324279828 /nfs/dbraw/zinc/27/98/28/324279828.db2.gz NYGXLZKQEXKXGL-UZLBHIALSA-N 2 2 339.439 3.247 20 5 EGBDLP COc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000285568959 455872326 /nfs/dbraw/zinc/87/23/26/455872326.db2.gz HTLHVOIUGOUUQV-UHFFFAOYSA-N 2 2 347.415 3.150 20 5 EGBDLP COc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000285568959 455872331 /nfs/dbraw/zinc/87/23/31/455872331.db2.gz HTLHVOIUGOUUQV-UHFFFAOYSA-N 2 2 347.415 3.150 20 5 EGBDLP COc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000285568959 455872342 /nfs/dbraw/zinc/87/23/42/455872342.db2.gz HTLHVOIUGOUUQV-UHFFFAOYSA-N 2 2 347.415 3.150 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000271203325 456171905 /nfs/dbraw/zinc/17/19/05/456171905.db2.gz ZSHAHOBOKOVLOT-HEHGZKQESA-N 2 2 333.432 3.127 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000271203325 456171909 /nfs/dbraw/zinc/17/19/09/456171909.db2.gz ZSHAHOBOKOVLOT-HEHGZKQESA-N 2 2 333.432 3.127 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000336791741 456310480 /nfs/dbraw/zinc/31/04/80/456310480.db2.gz OTIRFPBJCDGLDQ-MRXNPFEDSA-N 2 2 343.402 3.346 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000336791741 456310483 /nfs/dbraw/zinc/31/04/83/456310483.db2.gz OTIRFPBJCDGLDQ-MRXNPFEDSA-N 2 2 343.402 3.346 20 5 EGBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985821 456429522 /nfs/dbraw/zinc/42/95/22/456429522.db2.gz LLLRZEDGVBWMFJ-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985821 456429526 /nfs/dbraw/zinc/42/95/26/456429526.db2.gz LLLRZEDGVBWMFJ-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985821 456429530 /nfs/dbraw/zinc/42/95/30/456429530.db2.gz LLLRZEDGVBWMFJ-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985821 456429532 /nfs/dbraw/zinc/42/95/32/456429532.db2.gz LLLRZEDGVBWMFJ-KBXCAEBGSA-N 2 2 341.411 3.381 20 5 EGBDLP CCOc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276878752 456607797 /nfs/dbraw/zinc/60/77/97/456607797.db2.gz IPWMTYITSOBXOM-UHFFFAOYSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276878752 456607801 /nfs/dbraw/zinc/60/78/01/456607801.db2.gz IPWMTYITSOBXOM-UHFFFAOYSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353658503 456838271 /nfs/dbraw/zinc/83/82/71/456838271.db2.gz WARLUNMGEXHHIT-INIZCTEOSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353658503 456838276 /nfs/dbraw/zinc/83/82/76/456838276.db2.gz WARLUNMGEXHHIT-INIZCTEOSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000353658503 456838282 /nfs/dbraw/zinc/83/82/82/456838282.db2.gz WARLUNMGEXHHIT-INIZCTEOSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000353658503 456838287 /nfs/dbraw/zinc/83/82/87/456838287.db2.gz WARLUNMGEXHHIT-INIZCTEOSA-N 2 2 335.448 3.300 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471003205 458674171 /nfs/dbraw/zinc/67/41/71/458674171.db2.gz CNYXJUBXZMREKV-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471003205 458674178 /nfs/dbraw/zinc/67/41/78/458674178.db2.gz CNYXJUBXZMREKV-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471003205 458674180 /nfs/dbraw/zinc/67/41/80/458674180.db2.gz CNYXJUBXZMREKV-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471003205 458674186 /nfs/dbraw/zinc/67/41/86/458674186.db2.gz CNYXJUBXZMREKV-KDURUIRLSA-N 2 2 337.423 3.159 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000595031430 459221682 /nfs/dbraw/zinc/22/16/82/459221682.db2.gz GOTWXOSJVDELOC-CQSZACIVSA-N 2 2 335.448 3.376 20 5 EGBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057457 459231020 /nfs/dbraw/zinc/23/10/20/459231020.db2.gz XIEBDHSLLRNVKE-DLBZAZTESA-N 2 2 331.460 3.378 20 5 EGBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057457 459231025 /nfs/dbraw/zinc/23/10/25/459231025.db2.gz XIEBDHSLLRNVKE-DLBZAZTESA-N 2 2 331.460 3.378 20 5 EGBDLP C[C@@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000602606178 460018849 /nfs/dbraw/zinc/01/88/49/460018849.db2.gz BKTQIOXZQFMXPN-ZDUSSCGKSA-N 2 2 332.404 3.090 20 5 EGBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602657937 460046868 /nfs/dbraw/zinc/04/68/68/460046868.db2.gz UPSOLSWFPRLSTK-GFCCVEGCSA-N 2 2 345.365 3.434 20 5 EGBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602657937 460046873 /nfs/dbraw/zinc/04/68/73/460046873.db2.gz UPSOLSWFPRLSTK-GFCCVEGCSA-N 2 2 345.365 3.434 20 5 EGBDLP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000184266532 533821639 /nfs/dbraw/zinc/82/16/39/533821639.db2.gz IRGYVUZAIPJAFK-LRDDRELGSA-N 2 2 348.378 3.022 20 5 EGBDLP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000184266532 533821643 /nfs/dbraw/zinc/82/16/43/533821643.db2.gz IRGYVUZAIPJAFK-LRDDRELGSA-N 2 2 348.378 3.022 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903127106 1317659012 /nfs/dbraw/zinc/65/90/12/1317659012.db2.gz VVVNIXBMVOCMGU-LQDVMPOASA-N 2 2 335.835 3.496 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903127106 1317659018 /nfs/dbraw/zinc/65/90/18/1317659018.db2.gz VVVNIXBMVOCMGU-LQDVMPOASA-N 2 2 335.835 3.496 20 5 EGBDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169043805 1384099707 /nfs/dbraw/zinc/09/97/07/1384099707.db2.gz HUWBZRZXYOVAMU-CRAIPNDOSA-N 2 2 349.450 3.167 20 5 EGBDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169043805 1384099718 /nfs/dbraw/zinc/09/97/18/1384099718.db2.gz HUWBZRZXYOVAMU-CRAIPNDOSA-N 2 2 349.450 3.167 20 5 EGBDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055825 1384101281 /nfs/dbraw/zinc/10/12/81/1384101281.db2.gz QQZOHDLLBDNWKU-QFBILLFUSA-N 2 2 349.450 3.167 20 5 EGBDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055825 1384101283 /nfs/dbraw/zinc/10/12/83/1384101283.db2.gz QQZOHDLLBDNWKU-QFBILLFUSA-N 2 2 349.450 3.167 20 5 EGBDLP Cc1ccc(CCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000353362159 274739499 /nfs/dbraw/zinc/73/94/99/274739499.db2.gz DXGOHOFGKUDLGG-UHFFFAOYSA-N 2 2 340.427 3.053 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414889094 309107382 /nfs/dbraw/zinc/10/73/82/309107382.db2.gz SPPAZWZDLGPLAW-AWEZNQCLSA-N 2 2 347.802 3.492 20 5 EGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414959546 309111767 /nfs/dbraw/zinc/11/17/67/309111767.db2.gz SKILWAXNFPKGIG-KXBFYZLASA-N 2 2 339.439 3.393 20 5 EGBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414983282 309112754 /nfs/dbraw/zinc/11/27/54/309112754.db2.gz ZHWCYCZBRYRLBL-HNNXBMFYSA-N 2 2 346.456 3.196 20 5 EGBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000264732833 455272573 /nfs/dbraw/zinc/27/25/73/455272573.db2.gz HWUABXCOLYGYPQ-IBGZPJMESA-N 2 2 333.479 3.328 20 5 EGBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000264732833 455272574 /nfs/dbraw/zinc/27/25/74/455272574.db2.gz HWUABXCOLYGYPQ-IBGZPJMESA-N 2 2 333.479 3.328 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150829849 454898676 /nfs/dbraw/zinc/89/86/76/454898676.db2.gz NUWMBGFZZKMHOX-MRXNPFEDSA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150829849 454898680 /nfs/dbraw/zinc/89/86/80/454898680.db2.gz NUWMBGFZZKMHOX-MRXNPFEDSA-N 2 2 347.459 3.300 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000182782344 455586316 /nfs/dbraw/zinc/58/63/16/455586316.db2.gz QKFUOYQHTAIGCH-DLBZAZTESA-N 2 2 347.459 3.008 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000182782344 455586317 /nfs/dbraw/zinc/58/63/17/455586317.db2.gz QKFUOYQHTAIGCH-DLBZAZTESA-N 2 2 347.459 3.008 20 5 EGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](Cc4ccco4)CC3)c2c1 ZINC000601101008 460709269 /nfs/dbraw/zinc/70/92/69/460709269.db2.gz KDWFEUTXZIPYEA-UHFFFAOYSA-N 2 2 338.367 3.058 20 5 EGBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310209412 456579485 /nfs/dbraw/zinc/57/94/85/456579485.db2.gz AQPXVMDFWPCTDT-LJQANCHMSA-N 2 2 339.439 3.392 20 5 EGBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310209412 456579490 /nfs/dbraw/zinc/57/94/90/456579490.db2.gz AQPXVMDFWPCTDT-LJQANCHMSA-N 2 2 339.439 3.392 20 5 EGBDLP CCOc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000276960320 456631904 /nfs/dbraw/zinc/63/19/04/456631904.db2.gz VKICTQSTTCLYAN-AWEZNQCLSA-N 2 2 330.388 3.096 20 5 EGBDLP CCOc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000276960320 456631910 /nfs/dbraw/zinc/63/19/10/456631910.db2.gz VKICTQSTTCLYAN-AWEZNQCLSA-N 2 2 330.388 3.096 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000361044848 457539666 /nfs/dbraw/zinc/53/96/66/457539666.db2.gz JWAUBSQUTCQKKG-UHFFFAOYSA-N 2 2 328.416 3.484 20 5 EGBDLP CC1(C)C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433064480 457656688 /nfs/dbraw/zinc/65/66/88/457656688.db2.gz AZBPHBANXRKJGL-LRDDRELGSA-N 2 2 326.400 3.118 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000468632008 458529496 /nfs/dbraw/zinc/52/94/96/458529496.db2.gz UOEZVTYVGZMUAQ-PTNGSMBKSA-N 2 2 336.395 3.478 20 5 EGBDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436217 458676901 /nfs/dbraw/zinc/67/69/01/458676901.db2.gz PQTPQFXGGPTEEM-BONVTDFDSA-N 2 2 343.349 3.186 20 5 EGBDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436217 458676905 /nfs/dbraw/zinc/67/69/05/458676905.db2.gz PQTPQFXGGPTEEM-BONVTDFDSA-N 2 2 343.349 3.186 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000595018906 459218116 /nfs/dbraw/zinc/21/81/16/459218116.db2.gz UNJLIKDSCIOFBD-ZDUSSCGKSA-N 2 2 333.432 3.128 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595509230 459328716 /nfs/dbraw/zinc/32/87/16/459328716.db2.gz DQBPSQUHVYWHFF-UHFFFAOYSA-N 2 2 325.412 3.349 20 5 EGBDLP COC1CC[NH+](CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347954 459358375 /nfs/dbraw/zinc/35/83/75/459358375.db2.gz JOFBAZDCHKIUGF-IBGZPJMESA-N 2 2 347.459 3.063 20 5 EGBDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602515471 459978294 /nfs/dbraw/zinc/97/82/94/459978294.db2.gz WALNIIBDOGWWEU-ZIAGYGMSSA-N 2 2 346.431 3.194 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602563389 459999054 /nfs/dbraw/zinc/99/90/54/459999054.db2.gz ZNFCUYJYFDVAOK-ZWNOBZJWSA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000602563389 459999057 /nfs/dbraw/zinc/99/90/57/459999057.db2.gz ZNFCUYJYFDVAOK-ZWNOBZJWSA-N 2 2 331.338 3.186 20 5 EGBDLP CCOc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000617196452 460772839 /nfs/dbraw/zinc/77/28/39/460772839.db2.gz LCQPORPULLNLIC-OAHLLOKOSA-N 2 2 330.388 3.027 20 5 EGBDLP CCOc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000617196452 460772849 /nfs/dbraw/zinc/77/28/49/460772849.db2.gz LCQPORPULLNLIC-OAHLLOKOSA-N 2 2 330.388 3.027 20 5 EGBDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178647350 533811740 /nfs/dbraw/zinc/81/17/40/533811740.db2.gz QXBXJADPZVYKNC-HNNXBMFYSA-N 2 2 340.427 3.305 20 5 EGBDLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000809739144 1317884375 /nfs/dbraw/zinc/88/43/75/1317884375.db2.gz YXINRQOUYIRTGW-UHFFFAOYSA-N 2 2 331.391 3.428 20 5 EGBDLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000809739144 1317884383 /nfs/dbraw/zinc/88/43/83/1317884383.db2.gz YXINRQOUYIRTGW-UHFFFAOYSA-N 2 2 331.391 3.428 20 5 EGBDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997103 1384082155 /nfs/dbraw/zinc/08/21/55/1384082155.db2.gz XSZVTYUGSZEPRS-BEFAXECRSA-N 2 2 349.450 3.134 20 5 EGBDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169043813 1384099551 /nfs/dbraw/zinc/09/95/51/1384099551.db2.gz HUWBZRZXYOVAMU-QAPCUYQASA-N 2 2 349.450 3.167 20 5 EGBDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169043813 1384099556 /nfs/dbraw/zinc/09/95/56/1384099556.db2.gz HUWBZRZXYOVAMU-QAPCUYQASA-N 2 2 349.450 3.167 20 5 EGBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317681 1384289710 /nfs/dbraw/zinc/28/97/10/1384289710.db2.gz JFGXNPXDSXMUBD-ZBFHGGJFSA-N 2 2 349.475 3.244 20 5 EGBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317681 1384289712 /nfs/dbraw/zinc/28/97/12/1384289712.db2.gz JFGXNPXDSXMUBD-ZBFHGGJFSA-N 2 2 349.475 3.244 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246831112 141037141 /nfs/dbraw/zinc/03/71/41/141037141.db2.gz OCWITYOQGKNKHN-KBXCAEBGSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246831112 141037142 /nfs/dbraw/zinc/03/71/42/141037142.db2.gz OCWITYOQGKNKHN-KBXCAEBGSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246831112 141037143 /nfs/dbraw/zinc/03/71/43/141037143.db2.gz OCWITYOQGKNKHN-KBXCAEBGSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246831112 141037144 /nfs/dbraw/zinc/03/71/44/141037144.db2.gz OCWITYOQGKNKHN-KBXCAEBGSA-N 2 2 345.443 3.052 20 5 EGBDLP CCc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346454748 141197899 /nfs/dbraw/zinc/19/78/99/141197899.db2.gz IQHVZKIEMCBIPU-GOSISDBHSA-N 2 2 340.383 3.326 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000344610632 144198023 /nfs/dbraw/zinc/19/80/23/144198023.db2.gz AYRUXAOPTKYLDT-KBPBESRZSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000344610632 144198024 /nfs/dbraw/zinc/19/80/24/144198024.db2.gz AYRUXAOPTKYLDT-KBPBESRZSA-N 2 2 329.400 3.427 20 5 EGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266820887 286064649 /nfs/dbraw/zinc/06/46/49/286064649.db2.gz YZYKTRCQRRAJHJ-NUJGCVRESA-N 2 2 349.475 3.382 20 5 EGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266820887 286064651 /nfs/dbraw/zinc/06/46/51/286064651.db2.gz YZYKTRCQRRAJHJ-NUJGCVRESA-N 2 2 349.475 3.382 20 5 EGBDLP C[C@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000310321920 154141652 /nfs/dbraw/zinc/14/16/52/154141652.db2.gz VFPANPQNDCAHDT-KXBFYZLASA-N 2 2 325.412 3.347 20 5 EGBDLP C[C@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000310321920 154141658 /nfs/dbraw/zinc/14/16/58/154141658.db2.gz VFPANPQNDCAHDT-KXBFYZLASA-N 2 2 325.412 3.347 20 5 EGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438605 168226096 /nfs/dbraw/zinc/22/60/96/168226096.db2.gz OEUCSRYGLHFJQK-AWEZNQCLSA-N 2 2 328.416 3.239 20 5 EGBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000278587521 275256678 /nfs/dbraw/zinc/25/66/78/275256678.db2.gz DRPPULINRBRPGA-UHFFFAOYSA-N 2 2 345.374 3.481 20 5 EGBDLP CCC([NH3+])(CC)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414805556 309102572 /nfs/dbraw/zinc/10/25/72/309102572.db2.gz GMABYZIPWFXCFN-UHFFFAOYSA-N 2 2 334.445 3.325 20 5 EGBDLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414874795 309106658 /nfs/dbraw/zinc/10/66/58/309106658.db2.gz ZFTURGNUSSKSFI-MRXNPFEDSA-N 2 2 340.427 3.204 20 5 EGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414959545 309111702 /nfs/dbraw/zinc/11/17/02/309111702.db2.gz SKILWAXNFPKGIG-HNAYVOBHSA-N 2 2 339.439 3.393 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000417342322 309202321 /nfs/dbraw/zinc/20/23/21/309202321.db2.gz MMVACXRRAVBADU-RHSMWYFYSA-N 2 2 326.400 3.163 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427884970 309537619 /nfs/dbraw/zinc/53/76/19/309537619.db2.gz VDVIMYZGIZWOBX-KBPBESRZSA-N 2 2 346.456 3.267 20 5 EGBDLP CCOc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000492652385 311276853 /nfs/dbraw/zinc/27/68/53/311276853.db2.gz LHOURTQBZXBZNI-INIZCTEOSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000492652385 311276854 /nfs/dbraw/zinc/27/68/54/311276854.db2.gz LHOURTQBZXBZNI-INIZCTEOSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000492652385 311276855 /nfs/dbraw/zinc/27/68/55/311276855.db2.gz LHOURTQBZXBZNI-INIZCTEOSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000492652385 311276856 /nfs/dbraw/zinc/27/68/56/311276856.db2.gz LHOURTQBZXBZNI-INIZCTEOSA-N 2 2 335.448 3.300 20 5 EGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123832979 454679760 /nfs/dbraw/zinc/67/97/60/454679760.db2.gz BXOAWVKUPJIYSO-HUUCEWRRSA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123832979 454679763 /nfs/dbraw/zinc/67/97/63/454679763.db2.gz BXOAWVKUPJIYSO-HUUCEWRRSA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000285579775 455875200 /nfs/dbraw/zinc/87/52/00/455875200.db2.gz KEELKQUAHXQGBT-BDJLRTHQSA-N 2 2 336.342 3.153 20 5 EGBDLP C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000285579775 455875205 /nfs/dbraw/zinc/87/52/05/455875205.db2.gz KEELKQUAHXQGBT-BDJLRTHQSA-N 2 2 336.342 3.153 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000276989153 456642251 /nfs/dbraw/zinc/64/22/51/456642251.db2.gz ZQIIQLMPMHUVOP-INIZCTEOSA-N 2 2 335.448 3.157 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000276989153 456642258 /nfs/dbraw/zinc/64/22/58/456642258.db2.gz ZQIIQLMPMHUVOP-INIZCTEOSA-N 2 2 335.448 3.157 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000353746304 456885738 /nfs/dbraw/zinc/88/57/38/456885738.db2.gz JVJUTMWABRUJJG-GDBMZVCRSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000353746304 456885743 /nfs/dbraw/zinc/88/57/43/456885743.db2.gz JVJUTMWABRUJJG-GDBMZVCRSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000353746304 456885747 /nfs/dbraw/zinc/88/57/47/456885747.db2.gz JVJUTMWABRUJJG-GDBMZVCRSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000353746304 456885749 /nfs/dbraw/zinc/88/57/49/456885749.db2.gz JVJUTMWABRUJJG-GDBMZVCRSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000360141140 457272036 /nfs/dbraw/zinc/27/20/36/457272036.db2.gz OFKZVRGCBCEYKS-AWEZNQCLSA-N 2 2 344.415 3.166 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000595510908 459330571 /nfs/dbraw/zinc/33/05/71/459330571.db2.gz DWVUWVDXTYGCEQ-MRXNPFEDSA-N 2 2 349.475 3.037 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718687 459836516 /nfs/dbraw/zinc/83/65/16/459836516.db2.gz SYODIWYHFWZRAZ-DLBZAZTESA-N 2 2 347.459 3.151 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718687 459836517 /nfs/dbraw/zinc/83/65/17/459836517.db2.gz SYODIWYHFWZRAZ-DLBZAZTESA-N 2 2 347.459 3.151 20 5 EGBDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602515469 459978678 /nfs/dbraw/zinc/97/86/78/459978678.db2.gz WALNIIBDOGWWEU-KBPBESRZSA-N 2 2 346.431 3.194 20 5 EGBDLP C[NH+](C)CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602544743 459990899 /nfs/dbraw/zinc/99/08/99/459990899.db2.gz KJDBRGDSZQNQTJ-OAHLLOKOSA-N 2 2 334.420 3.192 20 5 EGBDLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911681 1384876090 /nfs/dbraw/zinc/87/60/90/1384876090.db2.gz DWHGRQNKRSPRKQ-KRWDZBQOSA-N 2 2 328.416 3.061 20 5 EGBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911681 1384876093 /nfs/dbraw/zinc/87/60/93/1384876093.db2.gz DWHGRQNKRSPRKQ-KRWDZBQOSA-N 2 2 328.416 3.061 20 5 EGBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232360 1384941733 /nfs/dbraw/zinc/94/17/33/1384941733.db2.gz AXHBWEUNVJAKPS-MAUKXSAKSA-N 2 2 341.411 3.383 20 5 EGBDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232360 1384941735 /nfs/dbraw/zinc/94/17/35/1384941735.db2.gz AXHBWEUNVJAKPS-MAUKXSAKSA-N 2 2 341.411 3.383 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267415754 251038893 /nfs/dbraw/zinc/03/88/93/251038893.db2.gz JHPVQPZVHDYPDM-ZDUSSCGKSA-N 2 2 330.388 3.096 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267415754 251038898 /nfs/dbraw/zinc/03/88/98/251038898.db2.gz JHPVQPZVHDYPDM-ZDUSSCGKSA-N 2 2 330.388 3.096 20 5 EGBDLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799702 141034912 /nfs/dbraw/zinc/03/49/12/141034912.db2.gz QSHAKTOSSYRQOZ-WMZOPIPTSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799702 141034915 /nfs/dbraw/zinc/03/49/15/141034915.db2.gz QSHAKTOSSYRQOZ-WMZOPIPTSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799702 141034917 /nfs/dbraw/zinc/03/49/17/141034917.db2.gz QSHAKTOSSYRQOZ-WMZOPIPTSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799702 141034920 /nfs/dbraw/zinc/03/49/20/141034920.db2.gz QSHAKTOSSYRQOZ-WMZOPIPTSA-N 2 2 329.444 3.352 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000344691232 144210613 /nfs/dbraw/zinc/21/06/13/144210613.db2.gz YFUCSSHKSGZAQT-DZGCQCFKSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000344691232 144210615 /nfs/dbraw/zinc/21/06/15/144210615.db2.gz YFUCSSHKSGZAQT-DZGCQCFKSA-N 2 2 329.400 3.427 20 5 EGBDLP [NH3+][C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000414891558 309107658 /nfs/dbraw/zinc/10/76/58/309107658.db2.gz OIWOKEYRTZPGLE-INIZCTEOSA-N 2 2 345.374 3.353 20 5 EGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000415066326 309117988 /nfs/dbraw/zinc/11/79/88/309117988.db2.gz OJJWNRBDNSZZDH-QGZVFWFLSA-N 2 2 329.400 3.462 20 5 EGBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697833 314140265 /nfs/dbraw/zinc/14/02/65/314140265.db2.gz RRYJCBPKVOWXHL-YXMMZVCTSA-N 2 2 329.444 3.272 20 5 EGBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697833 314140270 /nfs/dbraw/zinc/14/02/70/314140270.db2.gz RRYJCBPKVOWXHL-YXMMZVCTSA-N 2 2 329.444 3.272 20 5 EGBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697833 314140272 /nfs/dbraw/zinc/14/02/72/314140272.db2.gz RRYJCBPKVOWXHL-YXMMZVCTSA-N 2 2 329.444 3.272 20 5 EGBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697833 314140275 /nfs/dbraw/zinc/14/02/75/314140275.db2.gz RRYJCBPKVOWXHL-YXMMZVCTSA-N 2 2 329.444 3.272 20 5 EGBDLP CC[NH2+]CCC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000566732068 316519799 /nfs/dbraw/zinc/51/97/99/316519799.db2.gz XENPEXHQLFSNLG-GOSISDBHSA-N 2 2 331.416 3.429 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000175269697 323317375 /nfs/dbraw/zinc/31/73/75/323317375.db2.gz DTEKVVRFZRERQP-INIZCTEOSA-N 2 2 347.459 3.301 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000175269697 323317376 /nfs/dbraw/zinc/31/73/76/323317376.db2.gz DTEKVVRFZRERQP-INIZCTEOSA-N 2 2 347.459 3.301 20 5 EGBDLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121348960 454424252 /nfs/dbraw/zinc/42/42/52/454424252.db2.gz AATRVLNQIUTLEY-AWEZNQCLSA-N 2 2 326.400 3.309 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000152691814 454713049 /nfs/dbraw/zinc/71/30/49/454713049.db2.gz NIGMEVSTYKHQFT-ZDUSSCGKSA-N 2 2 333.432 3.271 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152778044 454724534 /nfs/dbraw/zinc/72/45/34/454724534.db2.gz FOPXPDCZAVAHLF-AWEZNQCLSA-N 2 2 328.416 3.329 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000182782331 455586267 /nfs/dbraw/zinc/58/62/67/455586267.db2.gz QKFUOYQHTAIGCH-IAGOWNOFSA-N 2 2 347.459 3.008 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000182782331 455586270 /nfs/dbraw/zinc/58/62/70/455586270.db2.gz QKFUOYQHTAIGCH-IAGOWNOFSA-N 2 2 347.459 3.008 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000271198952 456167943 /nfs/dbraw/zinc/16/79/43/456167943.db2.gz YUNSZXFXPHUKPC-KGLIPLIRSA-N 2 2 334.445 3.340 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340892708 456744678 /nfs/dbraw/zinc/74/46/78/456744678.db2.gz BTNZOCGSVDROOV-HUUCEWRRSA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340892708 456744682 /nfs/dbraw/zinc/74/46/82/456744682.db2.gz BTNZOCGSVDROOV-HUUCEWRRSA-N 2 2 328.416 3.344 20 5 EGBDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064322 458925388 /nfs/dbraw/zinc/92/53/88/458925388.db2.gz YKBRRDUQAGBPTK-IXDOHACOSA-N 2 2 349.479 3.129 20 5 EGBDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064322 458925389 /nfs/dbraw/zinc/92/53/89/458925389.db2.gz YKBRRDUQAGBPTK-IXDOHACOSA-N 2 2 349.479 3.129 20 5 EGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cn21 ZINC000594507689 459067795 /nfs/dbraw/zinc/06/77/95/459067795.db2.gz PLVDDSZRILBAML-KRWDZBQOSA-N 2 2 336.395 3.371 20 5 EGBDLP CC(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594992585 459209181 /nfs/dbraw/zinc/20/91/81/459209181.db2.gz GYUFQPFJHGRESL-KRWDZBQOSA-N 2 2 347.459 3.061 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602563388 459999750 /nfs/dbraw/zinc/99/97/50/459999750.db2.gz ZNFCUYJYFDVAOK-MFKMUULPSA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000602563388 459999759 /nfs/dbraw/zinc/99/97/59/459999759.db2.gz ZNFCUYJYFDVAOK-MFKMUULPSA-N 2 2 331.338 3.186 20 5 EGBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717459 460004886 /nfs/dbraw/zinc/00/48/86/460004886.db2.gz FPNNDSOLBYFXSU-KSSFIOAISA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717459 460004894 /nfs/dbraw/zinc/00/48/94/460004894.db2.gz FPNNDSOLBYFXSU-KSSFIOAISA-N 2 2 327.384 3.168 20 5 EGBDLP CC(C)C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000131902895 1293703986 /nfs/dbraw/zinc/70/39/86/1293703986.db2.gz ZXKFVQXJQXMNFK-LJQANCHMSA-N 2 2 348.491 3.130 20 5 EGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436592 1317579164 /nfs/dbraw/zinc/57/91/64/1317579164.db2.gz CEFDDMZXMGKFAI-OMWUSAIZSA-N 2 2 325.412 3.130 20 5 EGBDLP [NH3+][C@H]1C[C@H](O)C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957266 1370614923 /nfs/dbraw/zinc/61/49/23/1370614923.db2.gz QPJJZABVAHGXPQ-OALUTQOASA-N 2 2 330.431 3.478 20 5 EGBDLP [NH3+][C@H]1C[C@H](O)C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957266 1370614929 /nfs/dbraw/zinc/61/49/29/1370614929.db2.gz QPJJZABVAHGXPQ-OALUTQOASA-N 2 2 330.431 3.478 20 5 EGBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1(F)F ZINC001205781724 1370867706 /nfs/dbraw/zinc/86/77/06/1370867706.db2.gz YFHULMUXDHKUOU-OAHLLOKOSA-N 2 2 342.393 3.199 20 5 EGBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1(F)F ZINC001205781724 1370867722 /nfs/dbraw/zinc/86/77/22/1370867722.db2.gz YFHULMUXDHKUOU-OAHLLOKOSA-N 2 2 342.393 3.199 20 5 EGBDLP COc1ccc(C[C@@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170351456 1384298438 /nfs/dbraw/zinc/29/84/38/1384298438.db2.gz CJJXPVTYDVYASU-OAHLLOKOSA-N 2 2 349.475 3.339 20 5 EGBDLP COc1ccc(C[C@@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170351456 1384298446 /nfs/dbraw/zinc/29/84/46/1384298446.db2.gz CJJXPVTYDVYASU-OAHLLOKOSA-N 2 2 349.475 3.339 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001172920925 1384879179 /nfs/dbraw/zinc/87/91/79/1384879179.db2.gz MKKMUEYPSFZIFB-KRWDZBQOSA-N 2 2 340.427 3.376 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001172921783 1384879507 /nfs/dbraw/zinc/87/95/07/1384879507.db2.gz SZVWOGMJDVBBIG-DLBZAZTESA-N 2 2 340.427 3.378 20 5 EGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001173221531 1384938252 /nfs/dbraw/zinc/93/82/52/1384938252.db2.gz JLJJRVOOAANTIO-OAHLLOKOSA-N 2 2 341.411 3.464 20 5 EGBDLP Cc1[nH+]cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1CSCC[NH3+] ZINC001173235453 1384942200 /nfs/dbraw/zinc/94/22/00/1384942200.db2.gz SWKCKAHFZSSSTN-GFCCVEGCSA-N 2 2 334.445 3.095 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000279556965 275339705 /nfs/dbraw/zinc/33/97/05/275339705.db2.gz RKLAQOBEFPLHQX-KGLIPLIRSA-N 2 2 343.349 3.330 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000279556965 275339707 /nfs/dbraw/zinc/33/97/07/275339707.db2.gz RKLAQOBEFPLHQX-KGLIPLIRSA-N 2 2 343.349 3.330 20 5 EGBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415056967 309117066 /nfs/dbraw/zinc/11/70/66/309117066.db2.gz RMBVYEJIQGNVEZ-AWEZNQCLSA-N 2 2 334.445 3.181 20 5 EGBDLP CCc1ccc([C@@H]([NH2+]C[C@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423281079 309393745 /nfs/dbraw/zinc/39/37/45/309393745.db2.gz VKLQJOPWTZRGRT-ACJLOTCBSA-N 2 2 331.416 3.285 20 5 EGBDLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423317260 309395039 /nfs/dbraw/zinc/39/50/39/309395039.db2.gz KDYQVBCBTVJIRW-CYBMUJFWSA-N 2 2 349.456 3.210 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000509619457 312121346 /nfs/dbraw/zinc/12/13/46/312121346.db2.gz PCOSSSQCEHUAGN-HZPDHXFCSA-N 2 2 349.475 3.451 20 5 EGBDLP CC(C)[NH+]1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169906 453940711 /nfs/dbraw/zinc/94/07/11/453940711.db2.gz MPFRTWCDZILYJK-UHFFFAOYSA-N 2 2 332.404 3.041 20 5 EGBDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169906 453940714 /nfs/dbraw/zinc/94/07/14/453940714.db2.gz MPFRTWCDZILYJK-UHFFFAOYSA-N 2 2 332.404 3.041 20 5 EGBDLP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cn1cc[nH+]c1 ZINC000072082437 454271187 /nfs/dbraw/zinc/27/11/87/454271187.db2.gz JEBJAVCIBAZHFS-AWEZNQCLSA-N 2 2 340.383 3.477 20 5 EGBDLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066434 454511825 /nfs/dbraw/zinc/51/18/25/454511825.db2.gz QSHAKTOSSYRQOZ-SJLPKXTDSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066434 454511831 /nfs/dbraw/zinc/51/18/31/454511831.db2.gz QSHAKTOSSYRQOZ-SJLPKXTDSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066434 454511834 /nfs/dbraw/zinc/51/18/34/454511834.db2.gz QSHAKTOSSYRQOZ-SJLPKXTDSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066434 454511839 /nfs/dbraw/zinc/51/18/39/454511839.db2.gz QSHAKTOSSYRQOZ-SJLPKXTDSA-N 2 2 329.444 3.352 20 5 EGBDLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000267103403 455502132 /nfs/dbraw/zinc/50/21/32/455502132.db2.gz ZXXZMYVSIDVEFF-HNNXBMFYSA-N 2 2 335.448 3.135 20 5 EGBDLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000182091348 455433842 /nfs/dbraw/zinc/43/38/42/455433842.db2.gz PYUMJTHMVLPJJH-OAHLLOKOSA-N 2 2 328.416 3.091 20 5 EGBDLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000182091348 455433847 /nfs/dbraw/zinc/43/38/47/455433847.db2.gz PYUMJTHMVLPJJH-OAHLLOKOSA-N 2 2 328.416 3.091 20 5 EGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285126333 455792601 /nfs/dbraw/zinc/79/26/01/455792601.db2.gz LHIGNAJWRVOQLM-GFCCVEGCSA-N 2 2 339.399 3.186 20 5 EGBDLP Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301839007 456229985 /nfs/dbraw/zinc/22/99/85/456229985.db2.gz XFPDOPFROIGQMA-CQSZACIVSA-N 2 2 341.415 3.114 20 5 EGBDLP Cc1cc(NC[C@H]2CCC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301839007 456229988 /nfs/dbraw/zinc/22/99/88/456229988.db2.gz XFPDOPFROIGQMA-CQSZACIVSA-N 2 2 341.415 3.114 20 5 EGBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC[NH+]3CCCC3)cs2)c1 ZINC000347715047 456321399 /nfs/dbraw/zinc/32/13/99/456321399.db2.gz GKDTVAQIQODOKB-UHFFFAOYSA-N 2 2 346.456 3.294 20 5 EGBDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339095048 456938673 /nfs/dbraw/zinc/93/86/73/456938673.db2.gz FXMPIWYBGLQZDJ-RHSMWYFYSA-N 2 2 335.448 3.291 20 5 EGBDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000347645307 457571858 /nfs/dbraw/zinc/57/18/58/457571858.db2.gz AYYJGEPIWIFQEF-UHFFFAOYSA-N 2 2 340.427 3.053 20 5 EGBDLP O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435396600 458138093 /nfs/dbraw/zinc/13/80/93/458138093.db2.gz ZLWTYNVHHZEHEN-GOSISDBHSA-N 2 2 340.427 3.134 20 5 EGBDLP O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435396600 458138098 /nfs/dbraw/zinc/13/80/98/458138098.db2.gz ZLWTYNVHHZEHEN-GOSISDBHSA-N 2 2 340.427 3.134 20 5 EGBDLP Cc1c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000423506516 458445990 /nfs/dbraw/zinc/44/59/90/458445990.db2.gz HXVYKDMFIUZQIN-JCGIZDLHSA-N 2 2 325.412 3.309 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000591275684 459346138 /nfs/dbraw/zinc/34/61/38/459346138.db2.gz XWZTVKWQHKUULY-ZDUSSCGKSA-N 2 2 345.399 3.095 20 5 EGBDLP C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611585361 460409926 /nfs/dbraw/zinc/40/99/26/460409926.db2.gz CUQIHLPVMFQNJO-ZIAGYGMSSA-N 2 2 333.432 3.043 20 5 EGBDLP C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611585361 460409928 /nfs/dbraw/zinc/40/99/28/460409928.db2.gz CUQIHLPVMFQNJO-ZIAGYGMSSA-N 2 2 333.432 3.043 20 5 EGBDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000902438879 1317578926 /nfs/dbraw/zinc/57/89/26/1317578926.db2.gz OABAQVYIAZSIDE-QWFCFKBJSA-N 2 2 337.423 3.130 20 5 EGBDLP [NH3+][C@@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@H]1O ZINC001205358656 1370731248 /nfs/dbraw/zinc/73/12/48/1370731248.db2.gz YSEDDZBHTHZSTD-RTBURBONSA-N 2 2 332.403 3.195 20 5 EGBDLP [NH3+][C@@H]1C[N@@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@H]1O ZINC001205358656 1370731251 /nfs/dbraw/zinc/73/12/51/1370731251.db2.gz YSEDDZBHTHZSTD-RTBURBONSA-N 2 2 332.403 3.195 20 5 EGBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1(F)F ZINC001205781723 1370868135 /nfs/dbraw/zinc/86/81/35/1370868135.db2.gz YFHULMUXDHKUOU-HNNXBMFYSA-N 2 2 342.393 3.199 20 5 EGBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CCC1(F)F ZINC001205781723 1370868136 /nfs/dbraw/zinc/86/81/36/1370868136.db2.gz YFHULMUXDHKUOU-HNNXBMFYSA-N 2 2 342.393 3.199 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000344610638 144198010 /nfs/dbraw/zinc/19/80/10/144198010.db2.gz AYRUXAOPTKYLDT-KGLIPLIRSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000344610638 144198011 /nfs/dbraw/zinc/19/80/11/144198011.db2.gz AYRUXAOPTKYLDT-KGLIPLIRSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000310321919 154143248 /nfs/dbraw/zinc/14/32/48/154143248.db2.gz VFPANPQNDCAHDT-HNAYVOBHSA-N 2 2 325.412 3.347 20 5 EGBDLP C[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000310321919 154143250 /nfs/dbraw/zinc/14/32/50/154143250.db2.gz VFPANPQNDCAHDT-HNAYVOBHSA-N 2 2 325.412 3.347 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1Oc1ccc(F)cc1 ZINC000414820052 309103619 /nfs/dbraw/zinc/10/36/19/309103619.db2.gz ABVBLOAXTPBEKA-HNNXBMFYSA-N 2 2 345.374 3.368 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955733 309111328 /nfs/dbraw/zinc/11/13/28/309111328.db2.gz UKZDOXVZWBTQNE-YJBOKZPZSA-N 2 2 347.365 3.108 20 5 EGBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414983285 309112769 /nfs/dbraw/zinc/11/27/69/309112769.db2.gz ZHWCYCZBRYRLBL-OAHLLOKOSA-N 2 2 346.456 3.196 20 5 EGBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000415019170 309114640 /nfs/dbraw/zinc/11/46/40/309114640.db2.gz RPULTQNCJGRMNR-KBPBESRZSA-N 2 2 328.416 3.188 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427880544 309537380 /nfs/dbraw/zinc/53/73/80/309537380.db2.gz WNSSZRCBEKCGCH-XIRDDKMYSA-N 2 2 340.427 3.107 20 5 EGBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281104 309684574 /nfs/dbraw/zinc/68/45/74/309684574.db2.gz HJDXZADDTWBSKU-KBXCAEBGSA-N 2 2 347.459 3.018 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000536371981 314109607 /nfs/dbraw/zinc/10/96/07/314109607.db2.gz YMZKYJSKRRMTNZ-UHFFFAOYSA-N 2 2 330.363 3.205 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)c(Cl)c1 ZINC000237816072 455222676 /nfs/dbraw/zinc/22/26/76/455222676.db2.gz QPYZLQFOVWCZBZ-UHFFFAOYSA-N 2 2 346.774 3.495 20 5 EGBDLP Cc1c([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917697 454236031 /nfs/dbraw/zinc/23/60/31/454236031.db2.gz DRFVMXBQJXHBTQ-LZWOXQAQSA-N 2 2 335.448 3.053 20 5 EGBDLP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917697 454236033 /nfs/dbraw/zinc/23/60/33/454236033.db2.gz DRFVMXBQJXHBTQ-LZWOXQAQSA-N 2 2 335.448 3.053 20 5 EGBDLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066436 454511776 /nfs/dbraw/zinc/51/17/76/454511776.db2.gz QSHAKTOSSYRQOZ-AEFFLSMTSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066436 454511783 /nfs/dbraw/zinc/51/17/83/454511783.db2.gz QSHAKTOSSYRQOZ-AEFFLSMTSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066436 454511785 /nfs/dbraw/zinc/51/17/85/454511785.db2.gz QSHAKTOSSYRQOZ-AEFFLSMTSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066436 454511793 /nfs/dbraw/zinc/51/17/93/454511793.db2.gz QSHAKTOSSYRQOZ-AEFFLSMTSA-N 2 2 329.444 3.352 20 5 EGBDLP O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)c1 ZINC000155732738 455037416 /nfs/dbraw/zinc/03/74/16/455037416.db2.gz HMZQKJLIDLBPAY-UHFFFAOYSA-N 2 2 349.394 3.340 20 5 EGBDLP O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)c1 ZINC000155732738 455037421 /nfs/dbraw/zinc/03/74/21/455037421.db2.gz HMZQKJLIDLBPAY-UHFFFAOYSA-N 2 2 349.394 3.340 20 5 EGBDLP C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738059 455610693 /nfs/dbraw/zinc/61/06/93/455610693.db2.gz BXLABLSQRYHUNK-ZIAGYGMSSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738059 455610700 /nfs/dbraw/zinc/61/07/00/455610700.db2.gz BXLABLSQRYHUNK-ZIAGYGMSSA-N 2 2 335.423 3.477 20 5 EGBDLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102120 459245452 /nfs/dbraw/zinc/24/54/52/459245452.db2.gz JVZHKFOFEVNUDR-RTBURBONSA-N 2 2 347.459 3.279 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094379 459519358 /nfs/dbraw/zinc/51/93/58/459519358.db2.gz LRRHAQZIPTZROK-ZBFHGGJFSA-N 2 2 347.459 3.376 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094379 459519363 /nfs/dbraw/zinc/51/93/63/459519363.db2.gz LRRHAQZIPTZROK-ZBFHGGJFSA-N 2 2 347.459 3.376 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000191492710 528862529 /nfs/dbraw/zinc/86/25/29/528862529.db2.gz VMASZKAEOBHQHU-UHFFFAOYSA-N 2 2 346.431 3.275 20 5 EGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000191492710 528862533 /nfs/dbraw/zinc/86/25/33/528862533.db2.gz VMASZKAEOBHQHU-UHFFFAOYSA-N 2 2 346.431 3.275 20 5 EGBDLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562832 1319015851 /nfs/dbraw/zinc/01/58/51/1319015851.db2.gz NLPACURUUCZVPG-BLLLJJGKSA-N 2 2 331.420 3.139 20 5 EGBDLP CN(Cc1c2ccccc2cc2ccccc21)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160737525 1382182053 /nfs/dbraw/zinc/18/20/53/1382182053.db2.gz GOOFYRHTJDMZLT-UHFFFAOYSA-N 2 2 347.462 3.032 20 5 EGBDLP C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]C1 ZINC000414848300 309105272 /nfs/dbraw/zinc/10/52/72/309105272.db2.gz GKYDKSXXDAHRPJ-OCCSQVGLSA-N 2 2 346.456 3.196 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955730 309111283 /nfs/dbraw/zinc/11/12/83/309111283.db2.gz UKZDOXVZWBTQNE-CRAIPNDOSA-N 2 2 347.365 3.108 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134863069 454599575 /nfs/dbraw/zinc/59/95/75/454599575.db2.gz OCWITYOQGKNKHN-KDOFPFPSSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134863069 454599581 /nfs/dbraw/zinc/59/95/81/454599581.db2.gz OCWITYOQGKNKHN-KDOFPFPSSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134863069 454599586 /nfs/dbraw/zinc/59/95/86/454599586.db2.gz OCWITYOQGKNKHN-KDOFPFPSSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134863069 454599593 /nfs/dbraw/zinc/59/95/93/454599593.db2.gz OCWITYOQGKNKHN-KDOFPFPSSA-N 2 2 345.443 3.052 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683440 454728355 /nfs/dbraw/zinc/72/83/55/454728355.db2.gz XFSDLNDYMANMIW-DBWMJRBXSA-N 2 2 329.444 3.416 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683440 454728357 /nfs/dbraw/zinc/72/83/57/454728357.db2.gz XFSDLNDYMANMIW-DBWMJRBXSA-N 2 2 329.444 3.416 20 5 EGBDLP CC[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000125289699 454811768 /nfs/dbraw/zinc/81/17/68/454811768.db2.gz RAUQPBARKWSORD-UHFFFAOYSA-N 2 2 343.374 3.112 20 5 EGBDLP CC[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000125289699 454811772 /nfs/dbraw/zinc/81/17/72/454811772.db2.gz RAUQPBARKWSORD-UHFFFAOYSA-N 2 2 343.374 3.112 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272529053 455984184 /nfs/dbraw/zinc/98/41/84/455984184.db2.gz IWIXLRYENOSXOH-UHFFFAOYSA-N 2 2 331.338 3.101 20 5 EGBDLP Cc1cc(N(C)CCCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272821001 456080073 /nfs/dbraw/zinc/08/00/73/456080073.db2.gz IWEJRTFRKKRARL-UHFFFAOYSA-N 2 2 325.372 3.174 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000271203326 456171526 /nfs/dbraw/zinc/17/15/26/456171526.db2.gz ZSHAHOBOKOVLOT-WWGRRREGSA-N 2 2 333.432 3.127 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000271203326 456171531 /nfs/dbraw/zinc/17/15/31/456171531.db2.gz ZSHAHOBOKOVLOT-WWGRRREGSA-N 2 2 333.432 3.127 20 5 EGBDLP Cc1c(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000358302880 457921267 /nfs/dbraw/zinc/92/12/67/457921267.db2.gz ACDRYCJDMJDQSX-UHFFFAOYSA-N 2 2 340.427 3.052 20 5 EGBDLP Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000371733212 458053475 /nfs/dbraw/zinc/05/34/75/458053475.db2.gz AXWOJFKMEFTBTL-CYBMUJFWSA-N 2 2 337.383 3.179 20 5 EGBDLP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000435372455 458122540 /nfs/dbraw/zinc/12/25/40/458122540.db2.gz RHNRPHVMJZQWJC-UHFFFAOYSA-N 2 2 345.399 3.047 20 5 EGBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381920 458130097 /nfs/dbraw/zinc/13/00/97/458130097.db2.gz YQQBUZUJYNOARS-JSGCOSHPSA-N 2 2 346.456 3.278 20 5 EGBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381920 458130105 /nfs/dbraw/zinc/13/01/05/458130105.db2.gz YQQBUZUJYNOARS-JSGCOSHPSA-N 2 2 346.456 3.278 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373113180 458400414 /nfs/dbraw/zinc/40/04/14/458400414.db2.gz SGKMQKLTVWTGEY-CQSZACIVSA-N 2 2 344.415 3.107 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373113180 458400418 /nfs/dbraw/zinc/40/04/18/458400418.db2.gz SGKMQKLTVWTGEY-CQSZACIVSA-N 2 2 344.415 3.107 20 5 EGBDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203030 458811879 /nfs/dbraw/zinc/81/18/79/458811879.db2.gz UOTNQQOPKSAIEV-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203030 458811882 /nfs/dbraw/zinc/81/18/82/458811882.db2.gz UOTNQQOPKSAIEV-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203030 458811890 /nfs/dbraw/zinc/81/18/90/458811890.db2.gz UOTNQQOPKSAIEV-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203030 458811898 /nfs/dbraw/zinc/81/18/98/458811898.db2.gz UOTNQQOPKSAIEV-KSSFIOAISA-N 2 2 341.411 3.381 20 5 EGBDLP Cc1cccn2cc(CC[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])[nH+]c12 ZINC000594496904 459062576 /nfs/dbraw/zinc/06/25/76/459062576.db2.gz ZPHNYZCQVRRFKF-QGZVFWFLSA-N 2 2 336.395 3.371 20 5 EGBDLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613967 459207589 /nfs/dbraw/zinc/20/75/89/459207589.db2.gz NMLFJYXBWOBZDM-QAPCUYQASA-N 2 2 331.460 3.237 20 5 EGBDLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613967 459207591 /nfs/dbraw/zinc/20/75/91/459207591.db2.gz NMLFJYXBWOBZDM-QAPCUYQASA-N 2 2 331.460 3.237 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000595045540 459227063 /nfs/dbraw/zinc/22/70/63/459227063.db2.gz NLRCXAYLOKQNKK-AWEZNQCLSA-N 2 2 335.448 3.376 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094378 459518509 /nfs/dbraw/zinc/51/85/09/459518509.db2.gz LRRHAQZIPTZROK-HOCLYGCPSA-N 2 2 347.459 3.376 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094378 459518515 /nfs/dbraw/zinc/51/85/15/459518515.db2.gz LRRHAQZIPTZROK-HOCLYGCPSA-N 2 2 347.459 3.376 20 5 EGBDLP O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000597138309 459849622 /nfs/dbraw/zinc/84/96/22/459849622.db2.gz PRCMAYSBQKZFSK-HNNXBMFYSA-N 2 2 326.400 3.117 20 5 EGBDLP O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000597138309 459849628 /nfs/dbraw/zinc/84/96/28/459849628.db2.gz PRCMAYSBQKZFSK-HNNXBMFYSA-N 2 2 326.400 3.117 20 5 EGBDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602527945 459983862 /nfs/dbraw/zinc/98/38/62/459983862.db2.gz NMAXWDLXKRLTPD-LBPRGKRZSA-N 2 2 345.365 3.435 20 5 EGBDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602527945 459983870 /nfs/dbraw/zinc/98/38/70/459983870.db2.gz NMAXWDLXKRLTPD-LBPRGKRZSA-N 2 2 345.365 3.435 20 5 EGBDLP C[NH+](C)CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602544742 459991067 /nfs/dbraw/zinc/99/10/67/459991067.db2.gz KJDBRGDSZQNQTJ-HNNXBMFYSA-N 2 2 334.420 3.192 20 5 EGBDLP C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611585354 460410287 /nfs/dbraw/zinc/41/02/87/460410287.db2.gz CUQIHLPVMFQNJO-KBPBESRZSA-N 2 2 333.432 3.043 20 5 EGBDLP C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611585354 460410293 /nfs/dbraw/zinc/41/02/93/460410293.db2.gz CUQIHLPVMFQNJO-KBPBESRZSA-N 2 2 333.432 3.043 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853093285 1323278321 /nfs/dbraw/zinc/27/83/21/1323278321.db2.gz HTAUWSIIHYRSGF-CQSZACIVSA-N 2 2 337.851 3.460 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853093285 1323278329 /nfs/dbraw/zinc/27/83/29/1323278329.db2.gz HTAUWSIIHYRSGF-CQSZACIVSA-N 2 2 337.851 3.460 20 5 EGBDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992771 1384080864 /nfs/dbraw/zinc/08/08/64/1384080864.db2.gz KOAUDPPOFGMGMX-MAUKXSAKSA-N 2 2 349.450 3.134 20 5 EGBDLP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170306399 1384287170 /nfs/dbraw/zinc/28/71/70/1384287170.db2.gz UOILWNUKQGQDNJ-HOTGVXAUSA-N 2 2 349.475 3.244 20 5 EGBDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903484 1384875204 /nfs/dbraw/zinc/87/52/04/1384875204.db2.gz GSGWHGVSDCRETF-ROUUACIJSA-N 2 2 331.460 3.162 20 5 EGBDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903484 1384875208 /nfs/dbraw/zinc/87/52/08/1384875208.db2.gz GSGWHGVSDCRETF-ROUUACIJSA-N 2 2 331.460 3.162 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001172907465 1384875514 /nfs/dbraw/zinc/87/55/14/1384875514.db2.gz FFZGOKLOZGFWSW-KRWDZBQOSA-N 2 2 336.395 3.280 20 5 EGBDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911683 1384875986 /nfs/dbraw/zinc/87/59/86/1384875986.db2.gz DWHGRQNKRSPRKQ-QGZVFWFLSA-N 2 2 328.416 3.061 20 5 EGBDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911683 1384875990 /nfs/dbraw/zinc/87/59/90/1384875990.db2.gz DWHGRQNKRSPRKQ-QGZVFWFLSA-N 2 2 328.416 3.061 20 5 EGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001173214572 1384937335 /nfs/dbraw/zinc/93/73/35/1384937335.db2.gz PICQZHONCPPCKV-INIZCTEOSA-N 2 2 339.439 3.247 20 5 EGBDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001340938626 1390408860 /nfs/dbraw/zinc/40/88/60/1390408860.db2.gz AINBVRGTCLHVHT-KRWDZBQOSA-N 2 2 326.400 3.375 20 5 EGBDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001340938626 1390408862 /nfs/dbraw/zinc/40/88/62/1390408862.db2.gz AINBVRGTCLHVHT-KRWDZBQOSA-N 2 2 326.400 3.375 20 5 EGBDLP C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000091959985 218094923 /nfs/dbraw/zinc/09/49/23/218094923.db2.gz QXCFVDDCZXEJEN-VVEVLUTRSA-N 2 2 326.400 3.388 20 5 EGBDLP C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000091959985 218094926 /nfs/dbraw/zinc/09/49/26/218094926.db2.gz QXCFVDDCZXEJEN-VVEVLUTRSA-N 2 2 326.400 3.388 20 5 EGBDLP C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415019174 309114665 /nfs/dbraw/zinc/11/46/65/309114665.db2.gz RPULTQNCJGRMNR-UONOGXRCSA-N 2 2 328.416 3.188 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427880539 309537518 /nfs/dbraw/zinc/53/75/18/309537518.db2.gz WNSSZRCBEKCGCH-BHYGNILZSA-N 2 2 340.427 3.107 20 5 EGBDLP CCOc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000492652390 311276778 /nfs/dbraw/zinc/27/67/78/311276778.db2.gz LHOURTQBZXBZNI-MRXNPFEDSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000492652390 311276780 /nfs/dbraw/zinc/27/67/80/311276780.db2.gz LHOURTQBZXBZNI-MRXNPFEDSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000492652390 311276783 /nfs/dbraw/zinc/27/67/83/311276783.db2.gz LHOURTQBZXBZNI-MRXNPFEDSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000492652390 311276784 /nfs/dbraw/zinc/27/67/84/311276784.db2.gz LHOURTQBZXBZNI-MRXNPFEDSA-N 2 2 335.448 3.300 20 5 EGBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697830 314140127 /nfs/dbraw/zinc/14/01/27/314140127.db2.gz RRYJCBPKVOWXHL-AATOQMJSSA-N 2 2 329.444 3.272 20 5 EGBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697830 314140132 /nfs/dbraw/zinc/14/01/32/314140132.db2.gz RRYJCBPKVOWXHL-AATOQMJSSA-N 2 2 329.444 3.272 20 5 EGBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697830 314140134 /nfs/dbraw/zinc/14/01/34/314140134.db2.gz RRYJCBPKVOWXHL-AATOQMJSSA-N 2 2 329.444 3.272 20 5 EGBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697830 314140138 /nfs/dbraw/zinc/14/01/38/314140138.db2.gz RRYJCBPKVOWXHL-AATOQMJSSA-N 2 2 329.444 3.272 20 5 EGBDLP C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000089903805 454230635 /nfs/dbraw/zinc/23/06/35/454230635.db2.gz QDLSZQCRGUJTGI-CQSZACIVSA-N 2 2 344.415 3.023 20 5 EGBDLP C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000089903805 454230641 /nfs/dbraw/zinc/23/06/41/454230641.db2.gz QDLSZQCRGUJTGI-CQSZACIVSA-N 2 2 344.415 3.023 20 5 EGBDLP C[NH+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000089903805 454230643 /nfs/dbraw/zinc/23/06/43/454230643.db2.gz QDLSZQCRGUJTGI-CQSZACIVSA-N 2 2 344.415 3.023 20 5 EGBDLP C[NH+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000089903805 454230649 /nfs/dbraw/zinc/23/06/49/454230649.db2.gz QDLSZQCRGUJTGI-CQSZACIVSA-N 2 2 344.415 3.023 20 5 EGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123832794 454680173 /nfs/dbraw/zinc/68/01/73/454680173.db2.gz BXOAWVKUPJIYSO-LSDHHAIUSA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123832794 454680176 /nfs/dbraw/zinc/68/01/76/454680176.db2.gz BXOAWVKUPJIYSO-LSDHHAIUSA-N 2 2 328.416 3.344 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865775 454742221 /nfs/dbraw/zinc/74/22/21/454742221.db2.gz YTMZADSIYVJSSH-RCFWFJCLSA-N 2 2 325.368 3.156 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865775 454742226 /nfs/dbraw/zinc/74/22/26/454742226.db2.gz YTMZADSIYVJSSH-RCFWFJCLSA-N 2 2 325.368 3.156 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841641 455113736 /nfs/dbraw/zinc/11/37/36/455113736.db2.gz YIBHYLJPWSCULD-HNNXBMFYSA-N 2 2 335.448 3.156 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841641 455113741 /nfs/dbraw/zinc/11/37/41/455113741.db2.gz YIBHYLJPWSCULD-HNNXBMFYSA-N 2 2 335.448 3.156 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841641 455113746 /nfs/dbraw/zinc/11/37/46/455113746.db2.gz YIBHYLJPWSCULD-HNNXBMFYSA-N 2 2 335.448 3.156 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841641 455113750 /nfs/dbraw/zinc/11/37/50/455113750.db2.gz YIBHYLJPWSCULD-HNNXBMFYSA-N 2 2 335.448 3.156 20 5 EGBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266820890 455457779 /nfs/dbraw/zinc/45/77/79/455457779.db2.gz YZYKTRCQRRAJHJ-RYRKJORJSA-N 2 2 349.475 3.382 20 5 EGBDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266820890 455457783 /nfs/dbraw/zinc/45/77/83/455457783.db2.gz YZYKTRCQRRAJHJ-RYRKJORJSA-N 2 2 349.475 3.382 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000305216375 456538561 /nfs/dbraw/zinc/53/85/61/456538561.db2.gz IXUKKKHQIJZABW-APWZRJJASA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000305216375 456538569 /nfs/dbraw/zinc/53/85/69/456538569.db2.gz IXUKKKHQIJZABW-APWZRJJASA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340892706 456744837 /nfs/dbraw/zinc/74/48/37/456744837.db2.gz BTNZOCGSVDROOV-GJZGRUSLSA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340892706 456744846 /nfs/dbraw/zinc/74/48/46/456744846.db2.gz BTNZOCGSVDROOV-GJZGRUSLSA-N 2 2 328.416 3.344 20 5 EGBDLP CCC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517175 457090887 /nfs/dbraw/zinc/09/08/87/457090887.db2.gz MXVWVLOFACGGOP-RBUKOAKNSA-N 2 2 349.475 3.382 20 5 EGBDLP CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517175 457090894 /nfs/dbraw/zinc/09/08/94/457090894.db2.gz MXVWVLOFACGGOP-RBUKOAKNSA-N 2 2 349.475 3.382 20 5 EGBDLP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447512058 458302060 /nfs/dbraw/zinc/30/20/60/458302060.db2.gz OFZVBBHWCZELHU-HZPDHXFCSA-N 2 2 349.479 3.129 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000376557477 458338034 /nfs/dbraw/zinc/33/80/34/458338034.db2.gz JYHDEACSTBKDIU-MRXNPFEDSA-N 2 2 343.383 3.042 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000376557477 458338038 /nfs/dbraw/zinc/33/80/38/458338038.db2.gz JYHDEACSTBKDIU-MRXNPFEDSA-N 2 2 343.383 3.042 20 5 EGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cn21 ZINC000594507690 459068207 /nfs/dbraw/zinc/06/82/07/459068207.db2.gz PLVDDSZRILBAML-QGZVFWFLSA-N 2 2 336.395 3.371 20 5 EGBDLP [NH3+]C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000594738767 459147532 /nfs/dbraw/zinc/14/75/32/459147532.db2.gz NCFOCJWMBSXHQS-UHFFFAOYSA-N 2 2 332.429 3.079 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000595007255 459212355 /nfs/dbraw/zinc/21/23/55/459212355.db2.gz LGSBKKIVXOCMFX-ZDUSSCGKSA-N 2 2 340.383 3.144 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000595009492 459214215 /nfs/dbraw/zinc/21/42/15/459214215.db2.gz ZNZSFXGWQWQHEL-CQSZACIVSA-N 2 2 335.448 3.374 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094376 459518749 /nfs/dbraw/zinc/51/87/49/459518749.db2.gz LRRHAQZIPTZROK-GDBMZVCRSA-N 2 2 347.459 3.376 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094376 459518753 /nfs/dbraw/zinc/51/87/53/459518753.db2.gz LRRHAQZIPTZROK-GDBMZVCRSA-N 2 2 347.459 3.376 20 5 EGBDLP CC1([NH3+])CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000592431586 459599684 /nfs/dbraw/zinc/59/96/84/459599684.db2.gz LMZWJWNUESHINT-UHFFFAOYSA-N 2 2 332.429 3.032 20 5 EGBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921410 460016895 /nfs/dbraw/zinc/01/68/95/460016895.db2.gz XOVLDACFAHIQBW-YPMHNXCESA-N 2 2 332.429 3.030 20 5 EGBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921410 460016899 /nfs/dbraw/zinc/01/68/99/460016899.db2.gz XOVLDACFAHIQBW-YPMHNXCESA-N 2 2 332.429 3.030 20 5 EGBDLP Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925886 460490842 /nfs/dbraw/zinc/49/08/42/460490842.db2.gz RUYWJLNOXSLXLC-HNNXBMFYSA-N 2 2 337.383 3.489 20 5 EGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436591 1317578362 /nfs/dbraw/zinc/57/83/62/1317578362.db2.gz CEFDDMZXMGKFAI-BOFPYLFWSA-N 2 2 325.412 3.130 20 5 EGBDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848522175 1321968450 /nfs/dbraw/zinc/96/84/50/1321968450.db2.gz VETABKKXRNOCPU-NVXWUHKLSA-N 2 2 328.416 3.483 20 5 EGBDLP C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169010030 1384088765 /nfs/dbraw/zinc/08/87/65/1384088765.db2.gz AIISPEMYWOAUOT-PKOBYXMFSA-N 2 2 331.460 3.028 20 5 EGBDLP C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169010030 1384088771 /nfs/dbraw/zinc/08/87/71/1384088771.db2.gz AIISPEMYWOAUOT-PKOBYXMFSA-N 2 2 331.460 3.028 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000344691233 144210403 /nfs/dbraw/zinc/21/04/03/144210403.db2.gz YFUCSSHKSGZAQT-HIFRSBDPSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000344691233 144210405 /nfs/dbraw/zinc/21/04/05/144210405.db2.gz YFUCSSHKSGZAQT-HIFRSBDPSA-N 2 2 329.400 3.427 20 5 EGBDLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119926423 152239156 /nfs/dbraw/zinc/23/91/56/152239156.db2.gz ZOIYPBFYGVFJHD-DAYGRLMNSA-N 2 2 335.448 3.135 20 5 EGBDLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119926423 152239158 /nfs/dbraw/zinc/23/91/58/152239158.db2.gz ZOIYPBFYGVFJHD-DAYGRLMNSA-N 2 2 335.448 3.135 20 5 EGBDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414668021 309094779 /nfs/dbraw/zinc/09/47/79/309094779.db2.gz YKFVFJYDYFEXGS-LBPRGKRZSA-N 2 2 335.791 3.431 20 5 EGBDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414668021 309094780 /nfs/dbraw/zinc/09/47/80/309094780.db2.gz YKFVFJYDYFEXGS-LBPRGKRZSA-N 2 2 335.791 3.431 20 5 EGBDLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414809122 309102705 /nfs/dbraw/zinc/10/27/05/309102705.db2.gz TYTKJXZDOZZEDQ-KRWDZBQOSA-N 2 2 340.427 3.190 20 5 EGBDLP [NH3+]C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000414845186 309105157 /nfs/dbraw/zinc/10/51/57/309105157.db2.gz QSVYXXQWZLCFAH-UHFFFAOYSA-N 2 2 346.456 3.470 20 5 EGBDLP C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414848301 309105251 /nfs/dbraw/zinc/10/52/51/309105251.db2.gz GKYDKSXXDAHRPJ-TZMCWYRMSA-N 2 2 346.456 3.196 20 5 EGBDLP O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414958216 309111420 /nfs/dbraw/zinc/11/14/20/309111420.db2.gz WJVCWLOHDZSKPO-YJBOKZPZSA-N 2 2 347.365 3.108 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494444447 311478506 /nfs/dbraw/zinc/47/85/06/311478506.db2.gz LZUNGMMBWJLSMA-AWEZNQCLSA-N 2 2 338.367 3.156 20 5 EGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000515433170 312282855 /nfs/dbraw/zinc/28/28/55/312282855.db2.gz QAZYTJJVWUPYKK-XJKSGUPXSA-N 2 2 326.400 3.254 20 5 EGBDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824376 324279998 /nfs/dbraw/zinc/27/99/98/324279998.db2.gz NYGXLZKQEXKXGL-JXFKEZNVSA-N 2 2 339.439 3.247 20 5 EGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824376 324280001 /nfs/dbraw/zinc/28/00/01/324280001.db2.gz NYGXLZKQEXKXGL-JXFKEZNVSA-N 2 2 339.439 3.247 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000237972190 455239259 /nfs/dbraw/zinc/23/92/59/455239259.db2.gz SYTNQLKHKBRSOL-UHFFFAOYSA-N 2 2 331.441 3.411 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119916931 454235298 /nfs/dbraw/zinc/23/52/98/454235298.db2.gz BLGQPBMDCMWURF-OWCLPIDISA-N 2 2 335.448 3.053 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119916931 454235302 /nfs/dbraw/zinc/23/53/02/454235302.db2.gz BLGQPBMDCMWURF-OWCLPIDISA-N 2 2 335.448 3.053 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000177678346 454890827 /nfs/dbraw/zinc/89/08/27/454890827.db2.gz KBACOAOOORXPRV-UHFFFAOYSA-N 2 2 330.388 3.027 20 5 EGBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1[NH3+] ZINC000261686171 455928006 /nfs/dbraw/zinc/92/80/06/455928006.db2.gz AQYUMHLPGATVFN-BMIGLBTASA-N 2 2 335.791 3.287 20 5 EGBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1[NH3+] ZINC000261686171 455928010 /nfs/dbraw/zinc/92/80/10/455928010.db2.gz AQYUMHLPGATVFN-BMIGLBTASA-N 2 2 335.791 3.287 20 5 EGBDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985822 456429460 /nfs/dbraw/zinc/42/94/60/456429460.db2.gz LLLRZEDGVBWMFJ-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985822 456429463 /nfs/dbraw/zinc/42/94/63/456429463.db2.gz LLLRZEDGVBWMFJ-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985822 456429467 /nfs/dbraw/zinc/42/94/67/456429467.db2.gz LLLRZEDGVBWMFJ-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985822 456429472 /nfs/dbraw/zinc/42/94/72/456429472.db2.gz LLLRZEDGVBWMFJ-KDOFPFPSSA-N 2 2 341.411 3.381 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000353746307 456884974 /nfs/dbraw/zinc/88/49/74/456884974.db2.gz JVJUTMWABRUJJG-ZBFHGGJFSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000353746307 456884980 /nfs/dbraw/zinc/88/49/80/456884980.db2.gz JVJUTMWABRUJJG-ZBFHGGJFSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000353746307 456884985 /nfs/dbraw/zinc/88/49/85/456884985.db2.gz JVJUTMWABRUJJG-ZBFHGGJFSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000353746307 456884991 /nfs/dbraw/zinc/88/49/91/456884991.db2.gz JVJUTMWABRUJJG-ZBFHGGJFSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000353746305 456885821 /nfs/dbraw/zinc/88/58/21/456885821.db2.gz JVJUTMWABRUJJG-GOEBONIOSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000353746305 456885825 /nfs/dbraw/zinc/88/58/25/456885825.db2.gz JVJUTMWABRUJJG-GOEBONIOSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000353746305 456885827 /nfs/dbraw/zinc/88/58/27/456885827.db2.gz JVJUTMWABRUJJG-GOEBONIOSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000353746305 456885832 /nfs/dbraw/zinc/88/58/32/456885832.db2.gz JVJUTMWABRUJJG-GOEBONIOSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CCC[NH+]1CCCC1 ZINC000349387875 456960848 /nfs/dbraw/zinc/96/08/48/456960848.db2.gz XIGPQYLUEYCVAD-UHFFFAOYSA-N 2 2 335.448 3.301 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCC[NH+]1CCCC1 ZINC000349387875 456960852 /nfs/dbraw/zinc/96/08/52/456960852.db2.gz XIGPQYLUEYCVAD-UHFFFAOYSA-N 2 2 335.448 3.301 20 5 EGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000376041056 458173527 /nfs/dbraw/zinc/17/35/27/458173527.db2.gz DPQOIGMTCLVYRL-IEXSPKMKSA-N 2 2 326.400 3.221 20 5 EGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000376041056 458173533 /nfs/dbraw/zinc/17/35/33/458173533.db2.gz DPQOIGMTCLVYRL-IEXSPKMKSA-N 2 2 326.400 3.221 20 5 EGBDLP Cc1noc(C[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000595373501 459286835 /nfs/dbraw/zinc/28/68/35/459286835.db2.gz QQOSYPDHDIBZGP-UHFFFAOYSA-N 2 2 341.371 3.147 20 5 EGBDLP C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595431300 459299870 /nfs/dbraw/zinc/29/98/70/459299870.db2.gz ONMCMNBFDBXBRD-HIFRSBDPSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000595431300 459299874 /nfs/dbraw/zinc/29/98/74/459299874.db2.gz ONMCMNBFDBXBRD-HIFRSBDPSA-N 2 2 335.423 3.477 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000595510907 459330650 /nfs/dbraw/zinc/33/06/50/459330650.db2.gz DWVUWVDXTYGCEQ-INIZCTEOSA-N 2 2 349.475 3.037 20 5 EGBDLP CC[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592427766 459598711 /nfs/dbraw/zinc/59/87/11/459598711.db2.gz ZPVAIOXJHSZGAC-MLGOLLRUSA-N 2 2 346.456 3.278 20 5 EGBDLP CC[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592427766 459598716 /nfs/dbraw/zinc/59/87/16/459598716.db2.gz ZPVAIOXJHSZGAC-MLGOLLRUSA-N 2 2 346.456 3.278 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659753 1303542909 /nfs/dbraw/zinc/54/29/09/1303542909.db2.gz UUCBMHDYJJNHDQ-UHFFFAOYSA-N 2 2 344.415 3.323 20 5 EGBDLP C[NH+](C)C1(CNc2ncnc3cc4ccccc4cc32)CC[NH+](C)CC1 ZINC001164210595 1383166378 /nfs/dbraw/zinc/16/63/78/1383166378.db2.gz FZILDDRMQWZLIL-UHFFFAOYSA-N 2 2 349.482 3.221 20 5 EGBDLP C[NH+](C)C1(CNc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164212849 1383166726 /nfs/dbraw/zinc/16/67/26/1383166726.db2.gz GWYHLIYVOLDWLF-UHFFFAOYSA-N 2 2 348.491 3.330 20 5 EGBDLP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170306398 1384287351 /nfs/dbraw/zinc/28/73/51/1384287351.db2.gz UOILWNUKQGQDNJ-CVEARBPZSA-N 2 2 349.475 3.244 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000269703138 141060143 /nfs/dbraw/zinc/06/01/43/141060143.db2.gz YZQHMXINYVPCGE-KBXCAEBGSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000269703138 141060145 /nfs/dbraw/zinc/06/01/45/141060145.db2.gz YZQHMXINYVPCGE-KBXCAEBGSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000269703138 141060147 /nfs/dbraw/zinc/06/01/47/141060147.db2.gz YZQHMXINYVPCGE-KBXCAEBGSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000269703138 141060149 /nfs/dbraw/zinc/06/01/49/141060149.db2.gz YZQHMXINYVPCGE-KBXCAEBGSA-N 2 2 333.407 3.183 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000344633078 144202199 /nfs/dbraw/zinc/20/21/99/144202199.db2.gz QSBVAVYWRILRAS-UKRRQHHQSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000344633078 144202202 /nfs/dbraw/zinc/20/22/02/144202202.db2.gz QSBVAVYWRILRAS-UKRRQHHQSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000344691235 144210366 /nfs/dbraw/zinc/21/03/66/144210366.db2.gz YFUCSSHKSGZAQT-ZFWWWQNUSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000344691235 144210367 /nfs/dbraw/zinc/21/03/67/144210367.db2.gz YFUCSSHKSGZAQT-ZFWWWQNUSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000343916533 164064844 /nfs/dbraw/zinc/06/48/44/164064844.db2.gz QZULRELGXLUDBB-OAHLLOKOSA-N 2 2 340.427 3.305 20 5 EGBDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000343916532 164064915 /nfs/dbraw/zinc/06/49/15/164064915.db2.gz QZULRELGXLUDBB-HNNXBMFYSA-N 2 2 340.427 3.305 20 5 EGBDLP C[N@H+](CC1CC1)C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413186439 309020379 /nfs/dbraw/zinc/02/03/79/309020379.db2.gz SPZBANKJZUHKNX-HNNXBMFYSA-N 2 2 340.427 3.311 20 5 EGBDLP C[N@@H+](CC1CC1)C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413186439 309020380 /nfs/dbraw/zinc/02/03/80/309020380.db2.gz SPZBANKJZUHKNX-HNNXBMFYSA-N 2 2 340.427 3.311 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955732 309111357 /nfs/dbraw/zinc/11/13/57/309111357.db2.gz UKZDOXVZWBTQNE-QAPCUYQASA-N 2 2 347.365 3.108 20 5 EGBDLP CCc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423205658 309390278 /nfs/dbraw/zinc/39/02/78/309390278.db2.gz FJTOKYXYEWRXOO-LIRRHRJNSA-N 2 2 343.427 3.429 20 5 EGBDLP CCC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090046592 454265958 /nfs/dbraw/zinc/26/59/58/454265958.db2.gz XAPWDUINJQZYSZ-YJBOKZPZSA-N 2 2 335.448 3.136 20 5 EGBDLP CC[NH+](CC)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000191801056 455520960 /nfs/dbraw/zinc/52/09/60/455520960.db2.gz YHHGHDLXTDUENP-UHFFFAOYSA-N 2 2 335.448 3.170 20 5 EGBDLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000249040625 455742493 /nfs/dbraw/zinc/74/24/93/455742493.db2.gz UTVDLZZZBFDSMV-CLCXKQKWSA-N 2 2 347.459 3.061 20 5 EGBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270047005 455864584 /nfs/dbraw/zinc/86/45/84/455864584.db2.gz UCVBYYKERUZYBF-HLLBOEOZSA-N 2 2 328.416 3.181 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000305216377 456538627 /nfs/dbraw/zinc/53/86/27/456538627.db2.gz IXUKKKHQIJZABW-LPHOPBHVSA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000305216377 456538630 /nfs/dbraw/zinc/53/86/30/456538630.db2.gz IXUKKKHQIJZABW-LPHOPBHVSA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340892715 456745070 /nfs/dbraw/zinc/74/50/70/456745070.db2.gz BTNZOCGSVDROOV-LSDHHAIUSA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340892715 456745076 /nfs/dbraw/zinc/74/50/76/456745076.db2.gz BTNZOCGSVDROOV-LSDHHAIUSA-N 2 2 328.416 3.344 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354045728 457031557 /nfs/dbraw/zinc/03/15/57/457031557.db2.gz YTMZADSIYVJSSH-MAVJXHJTSA-N 2 2 325.368 3.156 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354045728 457031563 /nfs/dbraw/zinc/03/15/63/457031563.db2.gz YTMZADSIYVJSSH-MAVJXHJTSA-N 2 2 325.368 3.156 20 5 EGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926561 457105526 /nfs/dbraw/zinc/10/55/26/457105526.db2.gz IWBFBKFXQFNPID-GXTWGEPZSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926561 457105528 /nfs/dbraw/zinc/10/55/28/457105528.db2.gz IWBFBKFXQFNPID-GXTWGEPZSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926561 457105531 /nfs/dbraw/zinc/10/55/31/457105531.db2.gz IWBFBKFXQFNPID-GXTWGEPZSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926561 457105534 /nfs/dbraw/zinc/10/55/34/457105534.db2.gz IWBFBKFXQFNPID-GXTWGEPZSA-N 2 2 339.411 3.047 20 5 EGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427884973 458047142 /nfs/dbraw/zinc/04/71/42/458047142.db2.gz VDVIMYZGIZWOBX-ZIAGYGMSSA-N 2 2 346.456 3.267 20 5 EGBDLP CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435615728 458172197 /nfs/dbraw/zinc/17/21/97/458172197.db2.gz IUHIWHATLUWTAW-INIZCTEOSA-N 2 2 335.448 3.346 20 5 EGBDLP CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435615728 458172199 /nfs/dbraw/zinc/17/21/99/458172199.db2.gz IUHIWHATLUWTAW-INIZCTEOSA-N 2 2 335.448 3.346 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430220462 458424204 /nfs/dbraw/zinc/42/42/04/458424204.db2.gz QDPCSQIURGGXOU-ZBFHGGJFSA-N 2 2 347.459 3.346 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000430220462 458424206 /nfs/dbraw/zinc/42/42/06/458424206.db2.gz QDPCSQIURGGXOU-ZBFHGGJFSA-N 2 2 347.459 3.346 20 5 EGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377189943 458485792 /nfs/dbraw/zinc/48/57/92/458485792.db2.gz SDHWPBLWTOXYNT-ZDUSSCGKSA-N 2 2 334.807 3.361 20 5 EGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377189943 458485794 /nfs/dbraw/zinc/48/57/94/458485794.db2.gz SDHWPBLWTOXYNT-ZDUSSCGKSA-N 2 2 334.807 3.361 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000595386660 459288573 /nfs/dbraw/zinc/28/85/73/459288573.db2.gz KCQVFWHXQZEVEJ-SUMWQHHRSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000595386660 459288580 /nfs/dbraw/zinc/28/85/80/459288580.db2.gz KCQVFWHXQZEVEJ-SUMWQHHRSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000595386660 459288586 /nfs/dbraw/zinc/28/85/86/459288586.db2.gz KCQVFWHXQZEVEJ-SUMWQHHRSA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000595386660 459288589 /nfs/dbraw/zinc/28/85/89/459288589.db2.gz KCQVFWHXQZEVEJ-SUMWQHHRSA-N 2 2 333.407 3.183 20 5 EGBDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848522174 1321968474 /nfs/dbraw/zinc/96/84/74/1321968474.db2.gz VETABKKXRNOCPU-DOTOQJQBSA-N 2 2 328.416 3.483 20 5 EGBDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848521289 1321968585 /nfs/dbraw/zinc/96/85/85/1321968585.db2.gz MMMISXRTPYSTOQ-KRWDZBQOSA-N 2 2 349.394 3.261 20 5 EGBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264968949 247095741 /nfs/dbraw/zinc/09/57/41/247095741.db2.gz QHUFSEYLFBMPKU-LBPRGKRZSA-N 2 2 343.412 3.093 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189154 224216340 /nfs/dbraw/zinc/21/63/40/224216340.db2.gz IDYUZBQOMZKJQI-KCQAQPDRSA-N 2 2 333.432 3.269 20 5 EGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189154 224216343 /nfs/dbraw/zinc/21/63/43/224216343.db2.gz IDYUZBQOMZKJQI-KCQAQPDRSA-N 2 2 333.432 3.269 20 5 EGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246572571 141016187 /nfs/dbraw/zinc/01/61/87/141016187.db2.gz BXOAWVKUPJIYSO-GJZGRUSLSA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246572571 141016190 /nfs/dbraw/zinc/01/61/90/141016190.db2.gz BXOAWVKUPJIYSO-GJZGRUSLSA-N 2 2 328.416 3.344 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000344634195 144203000 /nfs/dbraw/zinc/20/30/00/144203000.db2.gz RQUTVSXNEPGKME-GXTWGEPZSA-N 2 2 346.456 3.291 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000344634195 144203001 /nfs/dbraw/zinc/20/30/01/144203001.db2.gz RQUTVSXNEPGKME-GXTWGEPZSA-N 2 2 346.456 3.291 20 5 EGBDLP CC1CC[NH+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000480608590 310897629 /nfs/dbraw/zinc/89/76/29/310897629.db2.gz KHSHZHCJCKGOQB-GOSISDBHSA-N 2 2 331.460 3.237 20 5 EGBDLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630528 311273861 /nfs/dbraw/zinc/27/38/61/311273861.db2.gz NHUUOTMPRKVRKL-GDBMZVCRSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630528 311273862 /nfs/dbraw/zinc/27/38/62/311273862.db2.gz NHUUOTMPRKVRKL-GDBMZVCRSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630528 311273864 /nfs/dbraw/zinc/27/38/64/311273864.db2.gz NHUUOTMPRKVRKL-GDBMZVCRSA-N 2 2 335.448 3.298 20 5 EGBDLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630528 311273866 /nfs/dbraw/zinc/27/38/66/311273866.db2.gz NHUUOTMPRKVRKL-GDBMZVCRSA-N 2 2 335.448 3.298 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131651421 454273966 /nfs/dbraw/zinc/27/39/66/454273966.db2.gz NNYXBKOMLRFLBO-OAHLLOKOSA-N 2 2 333.775 3.297 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131651421 454273969 /nfs/dbraw/zinc/27/39/69/454273969.db2.gz NNYXBKOMLRFLBO-OAHLLOKOSA-N 2 2 333.775 3.297 20 5 EGBDLP CC[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCC1 ZINC000151660557 455014212 /nfs/dbraw/zinc/01/42/12/455014212.db2.gz FEWOMJXJFKKKIL-MSOLQXFVSA-N 2 2 331.460 3.380 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000192937518 455721683 /nfs/dbraw/zinc/72/16/83/455721683.db2.gz WIZBFBHCOAENET-QGZVFWFLSA-N 2 2 326.400 3.459 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354025717 457016758 /nfs/dbraw/zinc/01/67/58/457016758.db2.gz IFYILLYJSFZMJP-QGZVFWFLSA-N 2 2 343.383 3.042 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354025717 457016764 /nfs/dbraw/zinc/01/67/64/457016764.db2.gz IFYILLYJSFZMJP-QGZVFWFLSA-N 2 2 343.383 3.042 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354025716 457017729 /nfs/dbraw/zinc/01/77/29/457017729.db2.gz IFYILLYJSFZMJP-KRWDZBQOSA-N 2 2 343.383 3.042 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354025716 457017733 /nfs/dbraw/zinc/01/77/33/457017733.db2.gz IFYILLYJSFZMJP-KRWDZBQOSA-N 2 2 343.383 3.042 20 5 EGBDLP CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517176 457091211 /nfs/dbraw/zinc/09/12/11/457091211.db2.gz MXVWVLOFACGGOP-RTBURBONSA-N 2 2 349.475 3.382 20 5 EGBDLP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517176 457091215 /nfs/dbraw/zinc/09/12/15/457091215.db2.gz MXVWVLOFACGGOP-RTBURBONSA-N 2 2 349.475 3.382 20 5 EGBDLP O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435396602 458137303 /nfs/dbraw/zinc/13/73/03/458137303.db2.gz ZLWTYNVHHZEHEN-SFHVURJKSA-N 2 2 340.427 3.134 20 5 EGBDLP O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435396602 458137310 /nfs/dbraw/zinc/13/73/10/458137310.db2.gz ZLWTYNVHHZEHEN-SFHVURJKSA-N 2 2 340.427 3.134 20 5 EGBDLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102118 459245706 /nfs/dbraw/zinc/24/57/06/459245706.db2.gz JVZHKFOFEVNUDR-OALUTQOASA-N 2 2 347.459 3.279 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000595386657 459288101 /nfs/dbraw/zinc/28/81/01/459288101.db2.gz KCQVFWHXQZEVEJ-CXAGYDPISA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000595386657 459288103 /nfs/dbraw/zinc/28/81/03/459288103.db2.gz KCQVFWHXQZEVEJ-CXAGYDPISA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000595386657 459288106 /nfs/dbraw/zinc/28/81/06/459288106.db2.gz KCQVFWHXQZEVEJ-CXAGYDPISA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000595386657 459288110 /nfs/dbraw/zinc/28/81/10/459288110.db2.gz KCQVFWHXQZEVEJ-CXAGYDPISA-N 2 2 333.407 3.183 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602511311 459976965 /nfs/dbraw/zinc/97/69/65/459976965.db2.gz PTBDNSWQIOLAJA-NSHDSACASA-N 2 2 343.349 3.188 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602511311 459976970 /nfs/dbraw/zinc/97/69/70/459976970.db2.gz PTBDNSWQIOLAJA-NSHDSACASA-N 2 2 343.349 3.188 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602516984 459979022 /nfs/dbraw/zinc/97/90/22/459979022.db2.gz UWAWRLKQUFTICN-ZIAGYGMSSA-N 2 2 343.349 3.330 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602516984 459979033 /nfs/dbraw/zinc/97/90/33/459979033.db2.gz UWAWRLKQUFTICN-ZIAGYGMSSA-N 2 2 343.349 3.330 20 5 EGBDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602519555 459979617 /nfs/dbraw/zinc/97/96/17/459979617.db2.gz HOECMBJWXUZBQG-LLVKDONJSA-N 2 2 331.338 3.045 20 5 EGBDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602519555 459979622 /nfs/dbraw/zinc/97/96/22/459979622.db2.gz HOECMBJWXUZBQG-LLVKDONJSA-N 2 2 331.338 3.045 20 5 EGBDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602525118 459983803 /nfs/dbraw/zinc/98/38/03/459983803.db2.gz QYEMQZVGHQZWPW-LBPRGKRZSA-N 2 2 345.365 3.435 20 5 EGBDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602525118 459983810 /nfs/dbraw/zinc/98/38/10/459983810.db2.gz QYEMQZVGHQZWPW-LBPRGKRZSA-N 2 2 345.365 3.435 20 5 EGBDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602575901 460004151 /nfs/dbraw/zinc/00/41/51/460004151.db2.gz YIYMGZKEWDIEBX-AWEZNQCLSA-N 2 2 346.431 3.194 20 5 EGBDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602575901 460004154 /nfs/dbraw/zinc/00/41/54/460004154.db2.gz YIYMGZKEWDIEBX-AWEZNQCLSA-N 2 2 346.431 3.194 20 5 EGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582666 460188542 /nfs/dbraw/zinc/18/85/42/460188542.db2.gz IZCCXGBPURSYLP-QWHCGFSZSA-N 2 2 332.404 3.041 20 5 EGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582666 460188544 /nfs/dbraw/zinc/18/85/44/460188544.db2.gz IZCCXGBPURSYLP-QWHCGFSZSA-N 2 2 332.404 3.041 20 5 EGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582666 460188546 /nfs/dbraw/zinc/18/85/46/460188546.db2.gz IZCCXGBPURSYLP-QWHCGFSZSA-N 2 2 332.404 3.041 20 5 EGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582666 460188548 /nfs/dbraw/zinc/18/85/48/460188548.db2.gz IZCCXGBPURSYLP-QWHCGFSZSA-N 2 2 332.404 3.041 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853094087 1323279069 /nfs/dbraw/zinc/27/90/69/1323279069.db2.gz XWFHFHRRKPRSTG-CQSZACIVSA-N 2 2 337.851 3.460 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853094087 1323279079 /nfs/dbraw/zinc/27/90/79/1323279079.db2.gz XWFHFHRRKPRSTG-CQSZACIVSA-N 2 2 337.851 3.460 20 5 EGBDLP C[NH+](C)C1(CNc2ccc3ccc4cccnc4c3n2)CC[NH+](C)CC1 ZINC001156181942 1380537826 /nfs/dbraw/zinc/53/78/26/1380537826.db2.gz KAYAGAGHGOXFRO-UHFFFAOYSA-N 2 2 349.482 3.221 20 5 EGBDLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319775 1384289842 /nfs/dbraw/zinc/28/98/42/1384289842.db2.gz YZHWSENDKGYIGM-GDBMZVCRSA-N 2 2 347.459 3.141 20 5 EGBDLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319775 1384289845 /nfs/dbraw/zinc/28/98/45/1384289845.db2.gz YZHWSENDKGYIGM-GDBMZVCRSA-N 2 2 347.459 3.141 20 5 EGBDLP COc1ccc(C[C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327218 1384292048 /nfs/dbraw/zinc/29/20/48/1384292048.db2.gz FXJBJGCKJODXMO-OAHLLOKOSA-N 2 2 347.459 3.095 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)s2)cc1 ZINC000414791887 309101724 /nfs/dbraw/zinc/10/17/24/309101724.db2.gz RGLPRMZQSWJXKQ-CJNGLKHVSA-N 2 2 329.425 3.117 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)s2)cc1 ZINC000414791887 309101725 /nfs/dbraw/zinc/10/17/25/309101725.db2.gz RGLPRMZQSWJXKQ-CJNGLKHVSA-N 2 2 329.425 3.117 20 5 EGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000414794886 309101747 /nfs/dbraw/zinc/10/17/47/309101747.db2.gz GBJKKSTVFSZYJW-HNNXBMFYSA-N 2 2 335.791 3.335 20 5 EGBDLP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447512057 309980371 /nfs/dbraw/zinc/98/03/71/309980371.db2.gz OFZVBBHWCZELHU-HOTGVXAUSA-N 2 2 349.479 3.129 20 5 EGBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697831 314140178 /nfs/dbraw/zinc/14/01/78/314140178.db2.gz RRYJCBPKVOWXHL-UKINESCASA-N 2 2 329.444 3.272 20 5 EGBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697831 314140181 /nfs/dbraw/zinc/14/01/81/314140181.db2.gz RRYJCBPKVOWXHL-UKINESCASA-N 2 2 329.444 3.272 20 5 EGBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697831 314140183 /nfs/dbraw/zinc/14/01/83/314140183.db2.gz RRYJCBPKVOWXHL-UKINESCASA-N 2 2 329.444 3.272 20 5 EGBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697831 314140187 /nfs/dbraw/zinc/14/01/87/314140187.db2.gz RRYJCBPKVOWXHL-UKINESCASA-N 2 2 329.444 3.272 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600722895 460580748 /nfs/dbraw/zinc/58/07/48/460580748.db2.gz RNYFTDPWZIDKFU-ZOWXZIJZSA-N 2 2 345.365 3.423 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600722895 460580755 /nfs/dbraw/zinc/58/07/55/460580755.db2.gz RNYFTDPWZIDKFU-ZOWXZIJZSA-N 2 2 345.365 3.423 20 5 EGBDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083221341 453944541 /nfs/dbraw/zinc/94/45/41/453944541.db2.gz WOEXDTBQPOSOQD-ZDUSSCGKSA-N 2 2 332.404 3.042 20 5 EGBDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083221341 453944544 /nfs/dbraw/zinc/94/45/44/453944544.db2.gz WOEXDTBQPOSOQD-ZDUSSCGKSA-N 2 2 332.404 3.042 20 5 EGBDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083221341 453944546 /nfs/dbraw/zinc/94/45/46/453944546.db2.gz WOEXDTBQPOSOQD-ZDUSSCGKSA-N 2 2 332.404 3.042 20 5 EGBDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083221341 453944550 /nfs/dbraw/zinc/94/45/50/453944550.db2.gz WOEXDTBQPOSOQD-ZDUSSCGKSA-N 2 2 332.404 3.042 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131651214 454273410 /nfs/dbraw/zinc/27/34/10/454273410.db2.gz NNYXBKOMLRFLBO-HNNXBMFYSA-N 2 2 333.775 3.297 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131651214 454273415 /nfs/dbraw/zinc/27/34/15/454273415.db2.gz NNYXBKOMLRFLBO-HNNXBMFYSA-N 2 2 333.775 3.297 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285518868 455862283 /nfs/dbraw/zinc/86/22/83/455862283.db2.gz OCDMPRPFIVDWNP-BYICEURKSA-N 2 2 347.459 3.439 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285518868 455862287 /nfs/dbraw/zinc/86/22/87/455862287.db2.gz OCDMPRPFIVDWNP-BYICEURKSA-N 2 2 347.459 3.439 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285518868 455862289 /nfs/dbraw/zinc/86/22/89/455862289.db2.gz OCDMPRPFIVDWNP-BYICEURKSA-N 2 2 347.459 3.439 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285518868 455862293 /nfs/dbraw/zinc/86/22/93/455862293.db2.gz OCDMPRPFIVDWNP-BYICEURKSA-N 2 2 347.459 3.439 20 5 EGBDLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000352761641 456283725 /nfs/dbraw/zinc/28/37/25/456283725.db2.gz CVWIDMRWPYUGKL-UHFFFAOYSA-N 2 2 334.445 3.138 20 5 EGBDLP CC1(C)C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433064479 457656654 /nfs/dbraw/zinc/65/66/54/457656654.db2.gz AZBPHBANXRKJGL-BLLLJJGKSA-N 2 2 326.400 3.118 20 5 EGBDLP CCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[NH2+]C1 ZINC000470008308 458606392 /nfs/dbraw/zinc/60/63/92/458606392.db2.gz JYKQIPFCGLEBQH-MRXNPFEDSA-N 2 2 329.400 3.429 20 5 EGBDLP CCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[NH2+]C1 ZINC000470008308 458606400 /nfs/dbraw/zinc/60/64/00/458606400.db2.gz JYKQIPFCGLEBQH-MRXNPFEDSA-N 2 2 329.400 3.429 20 5 EGBDLP C[C@H]1CCC[N@H+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613965 459208246 /nfs/dbraw/zinc/20/82/46/459208246.db2.gz NMLFJYXBWOBZDM-MAUKXSAKSA-N 2 2 331.460 3.237 20 5 EGBDLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613965 459208253 /nfs/dbraw/zinc/20/82/53/459208253.db2.gz NMLFJYXBWOBZDM-MAUKXSAKSA-N 2 2 331.460 3.237 20 5 EGBDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602525117 459982685 /nfs/dbraw/zinc/98/26/85/459982685.db2.gz QYEMQZVGHQZWPW-GFCCVEGCSA-N 2 2 345.365 3.435 20 5 EGBDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602525117 459982693 /nfs/dbraw/zinc/98/26/93/459982693.db2.gz QYEMQZVGHQZWPW-GFCCVEGCSA-N 2 2 345.365 3.435 20 5 EGBDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719226 460004341 /nfs/dbraw/zinc/00/43/41/460004341.db2.gz MICWGGOGHPYHRN-UGSOOPFHSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719226 460004347 /nfs/dbraw/zinc/00/43/47/460004347.db2.gz MICWGGOGHPYHRN-UGSOOPFHSA-N 2 2 327.384 3.168 20 5 EGBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001116061692 1370829577 /nfs/dbraw/zinc/82/95/77/1370829577.db2.gz MRDSEUSNMGUWPG-UHFFFAOYSA-N 2 2 337.339 3.045 20 5 EGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001173231649 1384940762 /nfs/dbraw/zinc/94/07/62/1384940762.db2.gz BOILPMAYJNUCMU-OAHLLOKOSA-N 2 2 340.427 3.179 20 5 EGBDLP C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000246806921 141035862 /nfs/dbraw/zinc/03/58/62/141035862.db2.gz QXCFVDDCZXEJEN-WFEZPHLISA-N 2 2 326.400 3.388 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000344634202 144202913 /nfs/dbraw/zinc/20/29/13/144202913.db2.gz RQUTVSXNEPGKME-TZMCWYRMSA-N 2 2 346.456 3.291 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000344634202 144202915 /nfs/dbraw/zinc/20/29/15/144202915.db2.gz RQUTVSXNEPGKME-TZMCWYRMSA-N 2 2 346.456 3.291 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000344691234 144210497 /nfs/dbraw/zinc/21/04/97/144210497.db2.gz YFUCSSHKSGZAQT-UKRRQHHQSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000344691234 144210498 /nfs/dbraw/zinc/21/04/98/144210498.db2.gz YFUCSSHKSGZAQT-UKRRQHHQSA-N 2 2 329.400 3.427 20 5 EGBDLP C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000291806137 276693858 /nfs/dbraw/zinc/69/38/58/276693858.db2.gz XQKSLONNUZUTSZ-LBPRGKRZSA-N 2 2 334.445 3.006 20 5 EGBDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414665969 309094497 /nfs/dbraw/zinc/09/44/97/309094497.db2.gz VYLFSQAMXGNHHV-CQSZACIVSA-N 2 2 328.416 3.142 20 5 EGBDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414665969 309094498 /nfs/dbraw/zinc/09/44/98/309094498.db2.gz VYLFSQAMXGNHHV-CQSZACIVSA-N 2 2 328.416 3.142 20 5 EGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000413046524 309013301 /nfs/dbraw/zinc/01/33/01/309013301.db2.gz PUILMZWISCKVMV-UHFFFAOYSA-N 2 2 337.383 3.330 20 5 EGBDLP CC[NH+](CC)C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413167433 309019142 /nfs/dbraw/zinc/01/91/42/309019142.db2.gz KEENQVZAERDQIT-CQSZACIVSA-N 2 2 328.416 3.311 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414889095 309107481 /nfs/dbraw/zinc/10/74/81/309107481.db2.gz SPPAZWZDLGPLAW-CQSZACIVSA-N 2 2 347.802 3.492 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449063788 310034133 /nfs/dbraw/zinc/03/41/33/310034133.db2.gz NUPRNBNDIGYYLI-VQIMIIECSA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449063788 310034134 /nfs/dbraw/zinc/03/41/34/310034134.db2.gz NUPRNBNDIGYYLI-VQIMIIECSA-N 2 2 339.439 3.390 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312504 314040233 /nfs/dbraw/zinc/04/02/33/314040233.db2.gz GNHRSDPLURTUDF-CQSZACIVSA-N 2 2 344.415 3.105 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312504 314040234 /nfs/dbraw/zinc/04/02/34/314040234.db2.gz GNHRSDPLURTUDF-CQSZACIVSA-N 2 2 344.415 3.105 20 5 EGBDLP C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000242147483 455270764 /nfs/dbraw/zinc/27/07/64/455270764.db2.gz WSEHOJULVZVPFO-SWLSCSKDSA-N 2 2 341.371 3.016 20 5 EGBDLP C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000242147483 455270767 /nfs/dbraw/zinc/27/07/67/455270767.db2.gz WSEHOJULVZVPFO-SWLSCSKDSA-N 2 2 341.371 3.016 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600722893 460580730 /nfs/dbraw/zinc/58/07/30/460580730.db2.gz RNYFTDPWZIDKFU-YWPYICTPSA-N 2 2 345.365 3.423 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600722893 460580733 /nfs/dbraw/zinc/58/07/33/460580733.db2.gz RNYFTDPWZIDKFU-YWPYICTPSA-N 2 2 345.365 3.423 20 5 EGBDLP C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000095981734 454249078 /nfs/dbraw/zinc/24/90/78/454249078.db2.gz WSEHOJULVZVPFO-DOMZBBRYSA-N 2 2 341.371 3.016 20 5 EGBDLP C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000095981734 454249082 /nfs/dbraw/zinc/24/90/82/454249082.db2.gz WSEHOJULVZVPFO-DOMZBBRYSA-N 2 2 341.371 3.016 20 5 EGBDLP C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000601130582 460722739 /nfs/dbraw/zinc/72/27/39/460722739.db2.gz WRGBPEMCXLUSOH-UGSOOPFHSA-N 2 2 337.383 3.427 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277201703 456722311 /nfs/dbraw/zinc/72/23/11/456722311.db2.gz MQJBLJKJJKFGIQ-MRXNPFEDSA-N 2 2 335.448 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277201703 456722319 /nfs/dbraw/zinc/72/23/19/456722319.db2.gz MQJBLJKJJKFGIQ-MRXNPFEDSA-N 2 2 335.448 3.298 20 5 EGBDLP Cc1c(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000358342256 457945094 /nfs/dbraw/zinc/94/50/94/457945094.db2.gz UXRNXBVRQXEPTM-UHFFFAOYSA-N 2 2 340.427 3.052 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000531684709 458961585 /nfs/dbraw/zinc/96/15/85/458961585.db2.gz RRYVQDVGBGHNOQ-QGZVFWFLSA-N 2 2 328.416 3.182 20 5 EGBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801698 459148571 /nfs/dbraw/zinc/14/85/71/459148571.db2.gz GQKITJSUUUZPFL-RYRKJORJSA-N 2 2 331.460 3.237 20 5 EGBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801698 459148578 /nfs/dbraw/zinc/14/85/78/459148578.db2.gz GQKITJSUUUZPFL-RYRKJORJSA-N 2 2 331.460 3.237 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000534329400 459314915 /nfs/dbraw/zinc/31/49/15/459314915.db2.gz QPRIWOYTEZUGQQ-GJZGRUSLSA-N 2 2 337.489 3.397 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000534329400 459314924 /nfs/dbraw/zinc/31/49/24/459314924.db2.gz QPRIWOYTEZUGQQ-GJZGRUSLSA-N 2 2 337.489 3.397 20 5 EGBDLP C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCCC1 ZINC000765256589 1302230853 /nfs/dbraw/zinc/23/08/53/1302230853.db2.gz UQIBRQYGXNBMMY-MAUKXSAKSA-N 2 2 331.460 3.380 20 5 EGBDLP C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCCC1 ZINC000765256587 1302231672 /nfs/dbraw/zinc/23/16/72/1302231672.db2.gz UQIBRQYGXNBMMY-CRAIPNDOSA-N 2 2 331.460 3.380 20 5 EGBDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811480285 1318182412 /nfs/dbraw/zinc/18/24/12/1318182412.db2.gz SMJSAXXUUKKQLX-SNVBAGLBSA-N 2 2 332.231 3.333 20 5 EGBDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811480285 1318182418 /nfs/dbraw/zinc/18/24/18/1318182418.db2.gz SMJSAXXUUKKQLX-SNVBAGLBSA-N 2 2 332.231 3.333 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853093284 1323277668 /nfs/dbraw/zinc/27/76/68/1323277668.db2.gz HTAUWSIIHYRSGF-AWEZNQCLSA-N 2 2 337.851 3.460 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853093284 1323277677 /nfs/dbraw/zinc/27/76/77/1323277677.db2.gz HTAUWSIIHYRSGF-AWEZNQCLSA-N 2 2 337.851 3.460 20 5 EGBDLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896231 1384873748 /nfs/dbraw/zinc/87/37/48/1384873748.db2.gz NKZHSOXQBXAHQV-GOSISDBHSA-N 2 2 331.460 3.164 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000365197302 285145275 /nfs/dbraw/zinc/14/52/75/285145275.db2.gz NHRGIICNWUPYLY-GOSISDBHSA-N 2 2 340.427 3.337 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000131213050 162393811 /nfs/dbraw/zinc/39/38/11/162393811.db2.gz ZJONKRVTKCLRFB-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000131213050 162393814 /nfs/dbraw/zinc/39/38/14/162393814.db2.gz ZJONKRVTKCLRFB-ZDUSSCGKSA-N 2 2 348.834 3.436 20 5 EGBDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339095050 279121190 /nfs/dbraw/zinc/12/11/90/279121190.db2.gz FXMPIWYBGLQZDJ-YOEHRIQHSA-N 2 2 335.448 3.291 20 5 EGBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414957727 309111438 /nfs/dbraw/zinc/11/14/38/309111438.db2.gz WJVCWLOHDZSKPO-CRAIPNDOSA-N 2 2 347.365 3.108 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000175269675 323316346 /nfs/dbraw/zinc/31/63/46/323316346.db2.gz DTEKVVRFZRERQP-MRXNPFEDSA-N 2 2 347.459 3.301 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000175269675 323316351 /nfs/dbraw/zinc/31/63/51/323316351.db2.gz DTEKVVRFZRERQP-MRXNPFEDSA-N 2 2 347.459 3.301 20 5 EGBDLP Cc1c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000123642624 454661275 /nfs/dbraw/zinc/66/12/75/454661275.db2.gz XULCJBUUCAIJRL-OAHLLOKOSA-N 2 2 328.416 3.091 20 5 EGBDLP Cc1c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000123642624 454661280 /nfs/dbraw/zinc/66/12/80/454661280.db2.gz XULCJBUUCAIJRL-OAHLLOKOSA-N 2 2 328.416 3.091 20 5 EGBDLP CC[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCC1 ZINC000151660609 455014056 /nfs/dbraw/zinc/01/40/56/455014056.db2.gz FEWOMJXJFKKKIL-ZWKOTPCHSA-N 2 2 331.460 3.380 20 5 EGBDLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864102 455531258 /nfs/dbraw/zinc/53/12/58/455531258.db2.gz PTBNGIWJAGJKDN-RDJZCZTQSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864102 455531261 /nfs/dbraw/zinc/53/12/61/455531261.db2.gz PTBNGIWJAGJKDN-RDJZCZTQSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864102 455531262 /nfs/dbraw/zinc/53/12/62/455531262.db2.gz PTBNGIWJAGJKDN-RDJZCZTQSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864102 455531264 /nfs/dbraw/zinc/53/12/64/455531264.db2.gz PTBNGIWJAGJKDN-RDJZCZTQSA-N 2 2 345.443 3.052 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248197947 455696569 /nfs/dbraw/zinc/69/65/69/455696569.db2.gz XRPMQAXQOVAWDM-MAUKXSAKSA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248197947 455696572 /nfs/dbraw/zinc/69/65/72/455696572.db2.gz XRPMQAXQOVAWDM-MAUKXSAKSA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248197947 455696576 /nfs/dbraw/zinc/69/65/76/455696576.db2.gz XRPMQAXQOVAWDM-MAUKXSAKSA-N 2 2 347.459 3.298 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248197947 455696580 /nfs/dbraw/zinc/69/65/80/455696580.db2.gz XRPMQAXQOVAWDM-MAUKXSAKSA-N 2 2 347.459 3.298 20 5 EGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000271198950 456168986 /nfs/dbraw/zinc/16/89/86/456168986.db2.gz YUNSZXFXPHUKPC-KBPBESRZSA-N 2 2 334.445 3.340 20 5 EGBDLP C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000291806132 456764260 /nfs/dbraw/zinc/76/42/60/456764260.db2.gz XQKSLONNUZUTSZ-GFCCVEGCSA-N 2 2 334.445 3.006 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353658504 456837858 /nfs/dbraw/zinc/83/78/58/456837858.db2.gz WARLUNMGEXHHIT-MRXNPFEDSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353658504 456837862 /nfs/dbraw/zinc/83/78/62/456837862.db2.gz WARLUNMGEXHHIT-MRXNPFEDSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000353658504 456837868 /nfs/dbraw/zinc/83/78/68/456837868.db2.gz WARLUNMGEXHHIT-MRXNPFEDSA-N 2 2 335.448 3.300 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000353658504 456837875 /nfs/dbraw/zinc/83/78/75/456837875.db2.gz WARLUNMGEXHHIT-MRXNPFEDSA-N 2 2 335.448 3.300 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602516981 459977813 /nfs/dbraw/zinc/97/78/13/459977813.db2.gz UWAWRLKQUFTICN-KGLIPLIRSA-N 2 2 343.349 3.330 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602516981 459977820 /nfs/dbraw/zinc/97/78/20/459977820.db2.gz UWAWRLKQUFTICN-KGLIPLIRSA-N 2 2 343.349 3.330 20 5 EGBDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563421 1305972390 /nfs/dbraw/zinc/97/23/90/1305972390.db2.gz POMCXXYRLCACLZ-CYBMUJFWSA-N 2 2 337.383 3.214 20 5 EGBDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC001324297112 1387586459 /nfs/dbraw/zinc/58/64/59/1387586459.db2.gz HFJSZBBUWQXKCM-INIZCTEOSA-N 2 2 326.400 3.375 20 5 EGBDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC001324297112 1387586462 /nfs/dbraw/zinc/58/64/62/1387586462.db2.gz HFJSZBBUWQXKCM-INIZCTEOSA-N 2 2 326.400 3.375 20 5 EGBDLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206363656 1371034110 /nfs/dbraw/zinc/03/41/10/1371034110.db2.gz ZBHWRSZGQUAOPZ-FQEVSTJZSA-N 2 2 338.430 3.436 20 5 EGBDLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206363656 1371034116 /nfs/dbraw/zinc/03/41/16/1371034116.db2.gz ZBHWRSZGQUAOPZ-FQEVSTJZSA-N 2 2 338.430 3.436 20 5 EGBDLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985032 1384079686 /nfs/dbraw/zinc/07/96/86/1384079686.db2.gz CEUGXWKMYRNYNX-XFWGSAIBSA-N 2 2 339.439 3.463 20 5 EGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001173231648 1384940647 /nfs/dbraw/zinc/94/06/47/1384940647.db2.gz BOILPMAYJNUCMU-HNNXBMFYSA-N 2 2 340.427 3.179 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267415752 251039313 /nfs/dbraw/zinc/03/93/13/251039313.db2.gz JHPVQPZVHDYPDM-CYBMUJFWSA-N 2 2 330.388 3.096 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267415752 251039317 /nfs/dbraw/zinc/03/93/17/251039317.db2.gz JHPVQPZVHDYPDM-CYBMUJFWSA-N 2 2 330.388 3.096 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000375323177 285143613 /nfs/dbraw/zinc/14/36/13/285143613.db2.gz YOBAXVXFGNABMP-KRWDZBQOSA-N 2 2 326.400 3.295 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000184731667 144098360 /nfs/dbraw/zinc/09/83/60/144098360.db2.gz UOZGWCGUFRWUIU-WHWKNOJMSA-N 2 2 340.427 3.296 20 5 EGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000184731667 144098362 /nfs/dbraw/zinc/09/83/62/144098362.db2.gz UOZGWCGUFRWUIU-WHWKNOJMSA-N 2 2 340.427 3.296 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000344634199 144202983 /nfs/dbraw/zinc/20/29/83/144202983.db2.gz RQUTVSXNEPGKME-OCCSQVGLSA-N 2 2 346.456 3.291 20 5 EGBDLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000344634199 144202984 /nfs/dbraw/zinc/20/29/84/144202984.db2.gz RQUTVSXNEPGKME-OCCSQVGLSA-N 2 2 346.456 3.291 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000131300286 162397515 /nfs/dbraw/zinc/39/75/15/162397515.db2.gz RVHYDLJDXJXRDQ-UHFFFAOYSA-N 2 2 334.379 3.339 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000131300286 162397516 /nfs/dbraw/zinc/39/75/16/162397516.db2.gz RVHYDLJDXJXRDQ-UHFFFAOYSA-N 2 2 334.379 3.339 20 5 EGBDLP COCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097802 275303559 /nfs/dbraw/zinc/30/35/59/275303559.db2.gz NZEGRHDPUIEAJQ-SFHVURJKSA-N 2 2 347.459 3.018 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414871688 309106636 /nfs/dbraw/zinc/10/66/36/309106636.db2.gz VFYOBRLDZMMNIN-OAHLLOKOSA-N 2 2 345.374 3.368 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420311730 309281209 /nfs/dbraw/zinc/28/12/09/309281209.db2.gz HPGLXKRXMGFPBJ-MDASCCDHSA-N 2 2 325.412 3.391 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420311730 309281210 /nfs/dbraw/zinc/28/12/10/309281210.db2.gz HPGLXKRXMGFPBJ-MDASCCDHSA-N 2 2 325.412 3.391 20 5 EGBDLP CCc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423205655 309390306 /nfs/dbraw/zinc/39/03/06/309390306.db2.gz FJTOKYXYEWRXOO-AUUYWEPGSA-N 2 2 343.427 3.429 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725796 460581231 /nfs/dbraw/zinc/58/12/31/460581231.db2.gz KFIBQPZZSKMNAI-NQBHXWOUSA-N 2 2 331.338 3.115 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725796 460581236 /nfs/dbraw/zinc/58/12/36/460581236.db2.gz KFIBQPZZSKMNAI-NQBHXWOUSA-N 2 2 331.338 3.115 20 5 EGBDLP CCC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000163692888 454861328 /nfs/dbraw/zinc/86/13/28/454861328.db2.gz XBRVWDNTNPZFTD-SFHVURJKSA-N 2 2 335.448 3.136 20 5 EGBDLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000276989155 456642422 /nfs/dbraw/zinc/64/24/22/456642422.db2.gz ZQIIQLMPMHUVOP-MRXNPFEDSA-N 2 2 335.448 3.157 20 5 EGBDLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000276989155 456642429 /nfs/dbraw/zinc/64/24/29/456642429.db2.gz ZQIIQLMPMHUVOP-MRXNPFEDSA-N 2 2 335.448 3.157 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000345043588 456907963 /nfs/dbraw/zinc/90/79/63/456907963.db2.gz IXXBOIYSDXMWJV-CRPZLVSXSA-N 2 2 335.473 3.025 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000360029043 457213286 /nfs/dbraw/zinc/21/32/86/457213286.db2.gz ZOYSFEUNIAAGHK-HNNXBMFYSA-N 2 2 333.775 3.297 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000360029043 457213291 /nfs/dbraw/zinc/21/32/91/457213291.db2.gz ZOYSFEUNIAAGHK-HNNXBMFYSA-N 2 2 333.775 3.297 20 5 EGBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281108 457797442 /nfs/dbraw/zinc/79/74/42/457797442.db2.gz HJDXZADDTWBSKU-KSSFIOAISA-N 2 2 347.459 3.018 20 5 EGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423517125 458448886 /nfs/dbraw/zinc/44/88/86/458448886.db2.gz YORNETTVBMTEKO-KDOFPFPSSA-N 2 2 327.428 3.378 20 5 EGBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491056 458688060 /nfs/dbraw/zinc/68/80/60/458688060.db2.gz ZLPNKNZEFQTRQW-QMTHXVAHSA-N 2 2 331.338 3.043 20 5 EGBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491056 458688067 /nfs/dbraw/zinc/68/80/67/458688067.db2.gz ZLPNKNZEFQTRQW-QMTHXVAHSA-N 2 2 331.338 3.043 20 5 EGBDLP COc1ccc(-c2ccc(C[N@H+](C)CC(C)(C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000594736553 459145820 /nfs/dbraw/zinc/14/58/20/459145820.db2.gz ROEFVQBZVRUOHC-UHFFFAOYSA-N 2 2 333.388 3.033 20 5 EGBDLP COc1ccc(-c2ccc(C[N@@H+](C)CC(C)(C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000594736553 459145828 /nfs/dbraw/zinc/14/58/28/459145828.db2.gz ROEFVQBZVRUOHC-UHFFFAOYSA-N 2 2 333.388 3.033 20 5 EGBDLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102119 459246012 /nfs/dbraw/zinc/24/60/12/459246012.db2.gz JVZHKFOFEVNUDR-RBUKOAKNSA-N 2 2 347.459 3.279 20 5 EGBDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602548032 459992412 /nfs/dbraw/zinc/99/24/12/459992412.db2.gz LFAHMSMMQUYDOW-LLVKDONJSA-N 2 2 331.338 3.045 20 5 EGBDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602548032 459992415 /nfs/dbraw/zinc/99/24/15/459992415.db2.gz LFAHMSMMQUYDOW-LLVKDONJSA-N 2 2 331.338 3.045 20 5 EGBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921398 460017514 /nfs/dbraw/zinc/01/75/14/460017514.db2.gz XOVLDACFAHIQBW-AAEUAGOBSA-N 2 2 332.429 3.030 20 5 EGBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921398 460017522 /nfs/dbraw/zinc/01/75/22/460017522.db2.gz XOVLDACFAHIQBW-AAEUAGOBSA-N 2 2 332.429 3.030 20 5 EGBDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671786 460057602 /nfs/dbraw/zinc/05/76/02/460057602.db2.gz IKOJVKVZEZPYRG-OAHLLOKOSA-N 2 2 343.349 3.141 20 5 EGBDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671786 460057610 /nfs/dbraw/zinc/05/76/10/460057610.db2.gz IKOJVKVZEZPYRG-OAHLLOKOSA-N 2 2 343.349 3.141 20 5 EGBDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671786 460057617 /nfs/dbraw/zinc/05/76/17/460057617.db2.gz IKOJVKVZEZPYRG-OAHLLOKOSA-N 2 2 343.349 3.141 20 5 EGBDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671786 460057625 /nfs/dbraw/zinc/05/76/25/460057625.db2.gz IKOJVKVZEZPYRG-OAHLLOKOSA-N 2 2 343.349 3.141 20 5 EGBDLP Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925887 460490911 /nfs/dbraw/zinc/49/09/11/460490911.db2.gz RUYWJLNOXSLXLC-OAHLLOKOSA-N 2 2 337.383 3.489 20 5 EGBDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589014 1305976183 /nfs/dbraw/zinc/97/61/83/1305976183.db2.gz POKFZTHSYBTIDT-CYBMUJFWSA-N 2 2 329.404 3.115 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000895479694 1309359603 /nfs/dbraw/zinc/35/96/03/1309359603.db2.gz SMSRCNKWLCPKRV-CQSZACIVSA-N 2 2 337.851 3.460 20 5 EGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479694 1309359610 /nfs/dbraw/zinc/35/96/10/1309359610.db2.gz SMSRCNKWLCPKRV-CQSZACIVSA-N 2 2 337.851 3.460 20 5 EGBDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992776 1384080906 /nfs/dbraw/zinc/08/09/06/1384080906.db2.gz KOAUDPPOFGMGMX-YJBOKZPZSA-N 2 2 349.450 3.134 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000366049383 168075751 /nfs/dbraw/zinc/07/57/51/168075751.db2.gz LXKIUMKBNMMGFP-OAHLLOKOSA-N 2 2 333.775 3.297 20 5 EGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000366049383 168075753 /nfs/dbraw/zinc/07/57/53/168075753.db2.gz LXKIUMKBNMMGFP-OAHLLOKOSA-N 2 2 333.775 3.297 20 5 EGBDLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278504882 268027309 /nfs/dbraw/zinc/02/73/09/268027309.db2.gz ARMXAXZESLNSPQ-UHFFFAOYSA-N 2 2 341.411 3.384 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245528195 281021396 /nfs/dbraw/zinc/02/13/96/281021396.db2.gz QKFUOYQHTAIGCH-IRXDYDNUSA-N 2 2 347.459 3.008 20 5 EGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245528195 281021398 /nfs/dbraw/zinc/02/13/98/281021398.db2.gz QKFUOYQHTAIGCH-IRXDYDNUSA-N 2 2 347.459 3.008 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000415063034 309117806 /nfs/dbraw/zinc/11/78/06/309117806.db2.gz GQMIXUCYJBATLL-GOSISDBHSA-N 2 2 343.427 3.346 20 5 EGBDLP CCc1ccc([C@H]([NH2+]C[C@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423281083 309393727 /nfs/dbraw/zinc/39/37/27/309393727.db2.gz VKLQJOPWTZRGRT-FZKQIMNGSA-N 2 2 331.416 3.285 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449063787 310034109 /nfs/dbraw/zinc/03/41/09/310034109.db2.gz NUPRNBNDIGYYLI-QFBILLFUSA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449063787 310034110 /nfs/dbraw/zinc/03/41/10/310034110.db2.gz NUPRNBNDIGYYLI-QFBILLFUSA-N 2 2 339.439 3.390 20 5 EGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCNc1cccc[nH+]1 ZINC000449127005 310038951 /nfs/dbraw/zinc/03/89/51/310038951.db2.gz VKOOQKKRCKKKFK-HNNXBMFYSA-N 2 2 328.416 3.403 20 5 EGBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000564668840 316185850 /nfs/dbraw/zinc/18/58/50/316185850.db2.gz XFMXTOIFWAYVMN-MRXNPFEDSA-N 2 2 326.400 3.459 20 5 EGBDLP C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000380041791 324243005 /nfs/dbraw/zinc/24/30/05/324243005.db2.gz SBIIBTROYVRIFR-HNAYVOBHSA-N 2 2 325.412 3.347 20 5 EGBDLP C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000380041791 324243010 /nfs/dbraw/zinc/24/30/10/324243010.db2.gz SBIIBTROYVRIFR-HNAYVOBHSA-N 2 2 325.412 3.347 20 5 EGBDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113340157 454924050 /nfs/dbraw/zinc/92/40/50/454924050.db2.gz GNTARUKWJPNTDY-CYBMUJFWSA-N 2 2 346.456 3.150 20 5 EGBDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113340157 454924054 /nfs/dbraw/zinc/92/40/54/454924054.db2.gz GNTARUKWJPNTDY-CYBMUJFWSA-N 2 2 346.456 3.150 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000192645418 455661082 /nfs/dbraw/zinc/66/10/82/455661082.db2.gz UZTFQJPGFDVLCF-GOSISDBHSA-N 2 2 336.395 3.452 20 5 EGBDLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290880832 456455901 /nfs/dbraw/zinc/45/59/01/456455901.db2.gz MAHSQTNNUZCONE-UHFFFAOYSA-N 2 2 332.231 3.476 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354082575 457050285 /nfs/dbraw/zinc/05/02/85/457050285.db2.gz KYMBHWFVJCZEKT-INIZCTEOSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354082575 457050290 /nfs/dbraw/zinc/05/02/90/457050290.db2.gz KYMBHWFVJCZEKT-INIZCTEOSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354082575 457050293 /nfs/dbraw/zinc/05/02/93/457050293.db2.gz KYMBHWFVJCZEKT-INIZCTEOSA-N 2 2 347.459 3.157 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354082575 457050297 /nfs/dbraw/zinc/05/02/97/457050297.db2.gz KYMBHWFVJCZEKT-INIZCTEOSA-N 2 2 347.459 3.157 20 5 EGBDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000360494976 457317101 /nfs/dbraw/zinc/31/71/01/457317101.db2.gz IVMVKPFZXGJTSQ-OAHLLOKOSA-N 2 2 340.427 3.305 20 5 EGBDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000437074657 458425596 /nfs/dbraw/zinc/42/55/96/458425596.db2.gz JQLJVSDOOOGBBS-RDJZCZTQSA-N 2 2 331.460 3.380 20 5 EGBDLP CCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CC[NH2+]C1 ZINC000469990569 458604234 /nfs/dbraw/zinc/60/42/34/458604234.db2.gz JOBAZWRPXHHKOP-CQSZACIVSA-N 2 2 329.400 3.429 20 5 EGBDLP CCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CC[NH2+]C1 ZINC000469990569 458604240 /nfs/dbraw/zinc/60/42/40/458604240.db2.gz JOBAZWRPXHHKOP-CQSZACIVSA-N 2 2 329.400 3.429 20 5 EGBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000520499955 459065241 /nfs/dbraw/zinc/06/52/41/459065241.db2.gz UAUICFHBATYIID-NCOADZHNSA-N 2 2 349.479 3.128 20 5 EGBDLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@H+]1CCCC[C@H]1C ZINC000520499955 459065245 /nfs/dbraw/zinc/06/52/45/459065245.db2.gz UAUICFHBATYIID-NCOADZHNSA-N 2 2 349.479 3.128 20 5 EGBDLP C[N@H+](CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000602503409 459971344 /nfs/dbraw/zinc/97/13/44/459971344.db2.gz OKKMFOULZURLMH-UHFFFAOYSA-N 2 2 346.431 3.480 20 5 EGBDLP C[N@@H+](CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000602503409 459971350 /nfs/dbraw/zinc/97/13/50/459971350.db2.gz OKKMFOULZURLMH-UHFFFAOYSA-N 2 2 346.431 3.480 20 5 EGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000602506208 459973503 /nfs/dbraw/zinc/97/35/03/459973503.db2.gz IPQVERYGLHVYOG-UHFFFAOYSA-N 2 2 343.349 3.330 20 5 EGBDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178646521 533810523 /nfs/dbraw/zinc/81/05/23/533810523.db2.gz PCGFEBMTWUZRLJ-HNNXBMFYSA-N 2 2 340.427 3.305 20 5 EGBDLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956861 1384071009 /nfs/dbraw/zinc/07/10/09/1384071009.db2.gz CEUGXWKMYRNYNX-KCUHQSDYSA-N 2 2 339.439 3.463 20 5 EGBDLP C[NH+](C)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169003128 1384085242 /nfs/dbraw/zinc/08/52/42/1384085242.db2.gz NSBRQTXQHIBYBF-UDCIBNOJSA-N 2 2 349.519 3.168 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000163788777 307924543 /nfs/dbraw/zinc/92/45/43/307924543.db2.gz IGUOCUOBKXMOLF-KRWDZBQOSA-N 2 2 340.427 3.403 20 5 EGBDLP CN(c1ccccc1)c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414809124 309102888 /nfs/dbraw/zinc/10/28/88/309102888.db2.gz TYTKJXZDOZZEDQ-QGZVFWFLSA-N 2 2 340.427 3.190 20 5 EGBDLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414815844 309103357 /nfs/dbraw/zinc/10/33/57/309103357.db2.gz YKUFOJFUWYZMGG-UHFFFAOYSA-N 2 2 347.415 3.471 20 5 EGBDLP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413173668 309019617 /nfs/dbraw/zinc/01/96/17/309019617.db2.gz RDYUWTJOEWSQJE-CQSZACIVSA-N 2 2 328.416 3.311 20 5 EGBDLP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413173668 309019618 /nfs/dbraw/zinc/01/96/18/309019618.db2.gz RDYUWTJOEWSQJE-CQSZACIVSA-N 2 2 328.416 3.311 20 5 EGBDLP CCc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423205656 309390198 /nfs/dbraw/zinc/39/01/98/309390198.db2.gz FJTOKYXYEWRXOO-IFXJQAMLSA-N 2 2 343.427 3.429 20 5 EGBDLP CCOc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000535777309 314072918 /nfs/dbraw/zinc/07/29/18/314072918.db2.gz AGJSFOXTZVOBCL-CQSZACIVSA-N 2 2 332.404 3.321 20 5 EGBDLP CCC[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000177677857 454890608 /nfs/dbraw/zinc/89/06/08/454890608.db2.gz GQLJUGUEMFHWGR-UHFFFAOYSA-N 2 2 335.448 3.300 20 5 EGBDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000177677857 454890609 /nfs/dbraw/zinc/89/06/09/454890609.db2.gz GQLJUGUEMFHWGR-UHFFFAOYSA-N 2 2 335.448 3.300 20 5 EGBDLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864059 455531228 /nfs/dbraw/zinc/53/12/28/455531228.db2.gz PTBNGIWJAGJKDN-DOTOQJQBSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864059 455531231 /nfs/dbraw/zinc/53/12/31/455531231.db2.gz PTBNGIWJAGJKDN-DOTOQJQBSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864059 455531232 /nfs/dbraw/zinc/53/12/32/455531232.db2.gz PTBNGIWJAGJKDN-DOTOQJQBSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864059 455531235 /nfs/dbraw/zinc/53/12/35/455531235.db2.gz PTBNGIWJAGJKDN-DOTOQJQBSA-N 2 2 345.443 3.052 20 5 EGBDLP Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301802071 456217262 /nfs/dbraw/zinc/21/72/62/456217262.db2.gz ADAACCDBEGYYSY-ZDUSSCGKSA-N 2 2 341.415 3.255 20 5 EGBDLP Cc1cc(NC[C@H](C)[N@@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301802071 456217271 /nfs/dbraw/zinc/21/72/71/456217271.db2.gz ADAACCDBEGYYSY-ZDUSSCGKSA-N 2 2 341.415 3.255 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354045727 457031837 /nfs/dbraw/zinc/03/18/37/457031837.db2.gz YTMZADSIYVJSSH-IVZVJUQRSA-N 2 2 325.368 3.156 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354045727 457031842 /nfs/dbraw/zinc/03/18/42/457031842.db2.gz YTMZADSIYVJSSH-IVZVJUQRSA-N 2 2 325.368 3.156 20 5 EGBDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000360494975 457316426 /nfs/dbraw/zinc/31/64/26/457316426.db2.gz IVMVKPFZXGJTSQ-HNNXBMFYSA-N 2 2 340.427 3.305 20 5 EGBDLP Cc1cc(NCCCNc2cccc[nH+]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360953957 457462108 /nfs/dbraw/zinc/46/21/08/457462108.db2.gz NQCLLIHHEDISRP-UHFFFAOYSA-N 2 2 337.383 3.182 20 5 EGBDLP C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000406033181 457554471 /nfs/dbraw/zinc/55/44/71/457554471.db2.gz OMEVPYMXTWJCOR-IBGZPJMESA-N 2 2 325.412 3.349 20 5 EGBDLP C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406033181 457554479 /nfs/dbraw/zinc/55/44/79/457554479.db2.gz OMEVPYMXTWJCOR-IBGZPJMESA-N 2 2 325.412 3.349 20 5 EGBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427880543 458046726 /nfs/dbraw/zinc/04/67/26/458046726.db2.gz WNSSZRCBEKCGCH-USXIJHARSA-N 2 2 340.427 3.107 20 5 EGBDLP CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC[NH2+]CC1 ZINC000431096943 458528949 /nfs/dbraw/zinc/52/89/49/458528949.db2.gz CDTRRZPEDOUAKC-UHFFFAOYSA-N 2 2 335.448 3.346 20 5 EGBDLP CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC[NH2+]CC1 ZINC000431096943 458528953 /nfs/dbraw/zinc/52/89/53/458528953.db2.gz CDTRRZPEDOUAKC-UHFFFAOYSA-N 2 2 335.448 3.346 20 5 EGBDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719955 460004839 /nfs/dbraw/zinc/00/48/39/460004839.db2.gz OUPFVWVMXLOAOO-KDOFPFPSSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719955 460004845 /nfs/dbraw/zinc/00/48/45/460004845.db2.gz OUPFVWVMXLOAOO-KDOFPFPSSA-N 2 2 327.384 3.168 20 5 EGBDLP [NH3+][C@@H]1C[C@H](O)C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957265 1370614770 /nfs/dbraw/zinc/61/47/70/1370614770.db2.gz QPJJZABVAHGXPQ-MOPGFXCFSA-N 2 2 330.431 3.478 20 5 EGBDLP [NH3+][C@@H]1C[C@H](O)C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957265 1370614773 /nfs/dbraw/zinc/61/47/73/1370614773.db2.gz QPJJZABVAHGXPQ-MOPGFXCFSA-N 2 2 330.431 3.478 20 5 EGBDLP O=[N+]([O-])c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1-c1ccccc1 ZINC001155062527 1380401040 /nfs/dbraw/zinc/40/10/40/1380401040.db2.gz FCDGEIWREIABAO-UHFFFAOYSA-N 2 2 349.394 3.310 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001172907466 1384875378 /nfs/dbraw/zinc/87/53/78/1384875378.db2.gz FFZGOKLOZGFWSW-QGZVFWFLSA-N 2 2 336.395 3.280 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255037036 308038081 /nfs/dbraw/zinc/03/80/81/308038081.db2.gz XFSDLNDYMANMIW-BQLWYNFJSA-N 2 2 329.444 3.416 20 5 EGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255037036 308038082 /nfs/dbraw/zinc/03/80/82/308038082.db2.gz XFSDLNDYMANMIW-BQLWYNFJSA-N 2 2 329.444 3.416 20 5 EGBDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414838956 309104787 /nfs/dbraw/zinc/10/47/87/309104787.db2.gz LBHAARPVSASJMU-ZDUSSCGKSA-N 2 2 334.445 3.181 20 5 EGBDLP Cc1[nH+]ccn1CCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413195234 309020747 /nfs/dbraw/zinc/02/07/47/309020747.db2.gz CMTNNZFOUAPXBO-UHFFFAOYSA-N 2 2 325.372 3.174 20 5 EGBDLP O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414958211 309111573 /nfs/dbraw/zinc/11/15/73/309111573.db2.gz WJVCWLOHDZSKPO-QAPCUYQASA-N 2 2 347.365 3.108 20 5 EGBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414977445 309112467 /nfs/dbraw/zinc/11/24/67/309112467.db2.gz KCOTZARMMLWWSM-HNNXBMFYSA-N 2 2 328.416 3.190 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000415052932 309116737 /nfs/dbraw/zinc/11/67/37/309116737.db2.gz JANGJOSBBYMPEP-KRWDZBQOSA-N 2 2 347.415 3.326 20 5 EGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415063979 309117651 /nfs/dbraw/zinc/11/76/51/309117651.db2.gz JMQBOGPNBNZOPT-HKMNZKMDSA-N 2 2 325.412 3.460 20 5 EGBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310292 309201185 /nfs/dbraw/zinc/20/11/85/309201185.db2.gz LATYINBAHCGQAF-DNVCBOLYSA-N 2 2 347.459 3.063 20 5 EGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423517126 309404445 /nfs/dbraw/zinc/40/44/45/309404445.db2.gz YORNETTVBMTEKO-KSSFIOAISA-N 2 2 327.428 3.378 20 5 EGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCNc1cccc[nH+]1 ZINC000449127006 310038852 /nfs/dbraw/zinc/03/88/52/310038852.db2.gz VKOOQKKRCKKKFK-OAHLLOKOSA-N 2 2 328.416 3.403 20 5 EGBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1[NH3+] ZINC000261686181 455927422 /nfs/dbraw/zinc/92/74/22/455927422.db2.gz AQYUMHLPGATVFN-MEBBXXQBSA-N 2 2 335.791 3.287 20 5 EGBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1[NH3+] ZINC000261686181 455927424 /nfs/dbraw/zinc/92/74/24/455927424.db2.gz AQYUMHLPGATVFN-MEBBXXQBSA-N 2 2 335.791 3.287 20 5 EGBDLP C[NH+](C)CCC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285895026 455938264 /nfs/dbraw/zinc/93/82/64/455938264.db2.gz GJSDZAXGPBSUHS-UHFFFAOYSA-N 2 2 327.375 3.037 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366605457 457867709 /nfs/dbraw/zinc/86/77/09/457867709.db2.gz CHQALROUMFXTJB-KSSFIOAISA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366605457 457867713 /nfs/dbraw/zinc/86/77/13/457867713.db2.gz CHQALROUMFXTJB-KSSFIOAISA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366605457 457867718 /nfs/dbraw/zinc/86/77/18/457867718.db2.gz CHQALROUMFXTJB-KSSFIOAISA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366605457 457867722 /nfs/dbraw/zinc/86/77/22/457867722.db2.gz CHQALROUMFXTJB-KSSFIOAISA-N 2 2 345.443 3.052 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435392028 458135342 /nfs/dbraw/zinc/13/53/42/458135342.db2.gz VKQSUEQYQVVRPQ-GOSISDBHSA-N 2 2 340.427 3.134 20 5 EGBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435392028 458135350 /nfs/dbraw/zinc/13/53/50/458135350.db2.gz VKQSUEQYQVVRPQ-GOSISDBHSA-N 2 2 340.427 3.134 20 5 EGBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435398072 458138073 /nfs/dbraw/zinc/13/80/73/458138073.db2.gz MRBDYPPEDHYHQY-CYBMUJFWSA-N 2 2 346.456 3.150 20 5 EGBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435398072 458138079 /nfs/dbraw/zinc/13/80/79/458138079.db2.gz MRBDYPPEDHYHQY-CYBMUJFWSA-N 2 2 346.456 3.150 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000595017760 459217172 /nfs/dbraw/zinc/21/71/72/459217172.db2.gz OENUITCNTNUSOQ-LSDHHAIUSA-N 2 2 335.448 3.376 20 5 EGBDLP CC[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592427764 459598852 /nfs/dbraw/zinc/59/88/52/459598852.db2.gz ZPVAIOXJHSZGAC-BLLLJJGKSA-N 2 2 346.456 3.278 20 5 EGBDLP CC[C@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592427764 459598854 /nfs/dbraw/zinc/59/88/54/459598854.db2.gz ZPVAIOXJHSZGAC-BLLLJJGKSA-N 2 2 346.456 3.278 20 5 EGBDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504050 459973299 /nfs/dbraw/zinc/97/32/99/459973299.db2.gz RKNDLHLJRQKUTD-CYBMUJFWSA-N 2 2 332.404 3.090 20 5 EGBDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504050 459973306 /nfs/dbraw/zinc/97/33/06/459973306.db2.gz RKNDLHLJRQKUTD-CYBMUJFWSA-N 2 2 332.404 3.090 20 5 EGBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602657938 460047594 /nfs/dbraw/zinc/04/75/94/460047594.db2.gz UPSOLSWFPRLSTK-LBPRGKRZSA-N 2 2 345.365 3.434 20 5 EGBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602657938 460047599 /nfs/dbraw/zinc/04/75/99/460047599.db2.gz UPSOLSWFPRLSTK-LBPRGKRZSA-N 2 2 345.365 3.434 20 5 EGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCc3ccc[nH+]c3N3CCCC3)c2c1 ZINC000601190956 460746123 /nfs/dbraw/zinc/74/61/23/460746123.db2.gz HMOIKCLRNNDTFM-UHFFFAOYSA-N 2 2 349.394 3.172 20 5 EGBDLP CC(C)C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000131902691 1293704002 /nfs/dbraw/zinc/70/40/02/1293704002.db2.gz ZXKFVQXJQXMNFK-IBGZPJMESA-N 2 2 348.491 3.130 20 5 EGBDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638445 1305989055 /nfs/dbraw/zinc/98/90/55/1305989055.db2.gz GWIXQZFBPPCTAF-CYBMUJFWSA-N 2 2 337.383 3.214 20 5 EGBDLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562833 1319016544 /nfs/dbraw/zinc/01/65/44/1319016544.db2.gz NLPACURUUCZVPG-LRDDRELGSA-N 2 2 331.420 3.139 20 5 EGBDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848522178 1321968142 /nfs/dbraw/zinc/96/81/42/1321968142.db2.gz VETABKKXRNOCPU-WBVHZDCISA-N 2 2 328.416 3.483 20 5 EGBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317480 1384289888 /nfs/dbraw/zinc/28/98/88/1384289888.db2.gz JFGXNPXDSXMUBD-HOCLYGCPSA-N 2 2 349.475 3.244 20 5 EGBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317480 1384289892 /nfs/dbraw/zinc/28/98/92/1384289892.db2.gz JFGXNPXDSXMUBD-HOCLYGCPSA-N 2 2 349.475 3.244 20 5 EGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349155598 156368545 /nfs/dbraw/zinc/36/85/45/156368545.db2.gz WBVXVLYRAKDHSO-SCOADAFUSA-N 2 2 326.400 3.221 20 5 EGBDLP Cc1cc(NC[C@H](C2CC2)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301805332 308716069 /nfs/dbraw/zinc/71/60/69/308716069.db2.gz BLNOAPZCGJCYBC-MRXNPFEDSA-N 2 2 341.415 3.112 20 5 EGBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414942221 309110363 /nfs/dbraw/zinc/11/03/63/309110363.db2.gz JTHBXKAAVXEYSA-NSHDSACASA-N 2 2 335.791 3.477 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955731 309111222 /nfs/dbraw/zinc/11/12/22/309111222.db2.gz UKZDOXVZWBTQNE-MAUKXSAKSA-N 2 2 347.365 3.108 20 5 EGBDLP CCc1ccc([C@H]([NH2+]C[C@@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423281087 309393753 /nfs/dbraw/zinc/39/37/53/309393753.db2.gz VKLQJOPWTZRGRT-SCLBCKFNSA-N 2 2 331.416 3.285 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841639 455113222 /nfs/dbraw/zinc/11/32/22/455113222.db2.gz YIBHYLJPWSCULD-OAHLLOKOSA-N 2 2 335.448 3.156 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841639 455113224 /nfs/dbraw/zinc/11/32/24/455113224.db2.gz YIBHYLJPWSCULD-OAHLLOKOSA-N 2 2 335.448 3.156 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841639 455113226 /nfs/dbraw/zinc/11/32/26/455113226.db2.gz YIBHYLJPWSCULD-OAHLLOKOSA-N 2 2 335.448 3.156 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841639 455113228 /nfs/dbraw/zinc/11/32/28/455113228.db2.gz YIBHYLJPWSCULD-OAHLLOKOSA-N 2 2 335.448 3.156 20 5 EGBDLP Cc1[nH+]cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000174288636 455376278 /nfs/dbraw/zinc/37/62/78/455376278.db2.gz UACRZXHAHWRBJL-UHFFFAOYSA-N 2 2 336.395 3.421 20 5 EGBDLP Cc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000348811049 456866139 /nfs/dbraw/zinc/86/61/39/456866139.db2.gz AZEFKJXMJHKYST-UHFFFAOYSA-N 2 2 331.416 3.450 20 5 EGBDLP Cc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000348811049 456866143 /nfs/dbraw/zinc/86/61/43/456866143.db2.gz AZEFKJXMJHKYST-UHFFFAOYSA-N 2 2 331.416 3.450 20 5 EGBDLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000348811049 456866147 /nfs/dbraw/zinc/86/61/47/456866147.db2.gz AZEFKJXMJHKYST-UHFFFAOYSA-N 2 2 331.416 3.450 20 5 EGBDLP Cc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000348811049 456866152 /nfs/dbraw/zinc/86/61/52/456866152.db2.gz AZEFKJXMJHKYST-UHFFFAOYSA-N 2 2 331.416 3.450 20 5 EGBDLP Cc1cc(NCc2ccn3cc[nH+]c3c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357412957 457507749 /nfs/dbraw/zinc/50/77/49/457507749.db2.gz BTDBCBYSNABGLK-UHFFFAOYSA-N 2 2 333.351 3.133 20 5 EGBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435398073 458137889 /nfs/dbraw/zinc/13/78/89/458137889.db2.gz MRBDYPPEDHYHQY-ZDUSSCGKSA-N 2 2 346.456 3.150 20 5 EGBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435398073 458137893 /nfs/dbraw/zinc/13/78/93/458137893.db2.gz MRBDYPPEDHYHQY-ZDUSSCGKSA-N 2 2 346.456 3.150 20 5 EGBDLP C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435431637 458144573 /nfs/dbraw/zinc/14/45/73/458144573.db2.gz JQZIESXOYAEHPI-OAHLLOKOSA-N 2 2 346.456 3.292 20 5 EGBDLP C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435431637 458144579 /nfs/dbraw/zinc/14/45/79/458144579.db2.gz JQZIESXOYAEHPI-OAHLLOKOSA-N 2 2 346.456 3.292 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000595009699 459214565 /nfs/dbraw/zinc/21/45/65/459214565.db2.gz CXNOUDRERYLRBS-CABCVRRESA-N 2 2 335.448 3.374 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000595009699 459214569 /nfs/dbraw/zinc/21/45/69/459214569.db2.gz CXNOUDRERYLRBS-CABCVRRESA-N 2 2 335.448 3.374 20 5 EGBDLP C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595431301 459299145 /nfs/dbraw/zinc/29/91/45/459299145.db2.gz ONMCMNBFDBXBRD-UKRRQHHQSA-N 2 2 335.423 3.477 20 5 EGBDLP C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000595431301 459299148 /nfs/dbraw/zinc/29/91/48/459299148.db2.gz ONMCMNBFDBXBRD-UKRRQHHQSA-N 2 2 335.423 3.477 20 5 EGBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899778 459329422 /nfs/dbraw/zinc/32/94/22/459329422.db2.gz KPYUGPHPYXQEIO-QZTJIDSGSA-N 2 2 331.460 3.380 20 5 EGBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899778 459329426 /nfs/dbraw/zinc/32/94/26/459329426.db2.gz KPYUGPHPYXQEIO-QZTJIDSGSA-N 2 2 331.460 3.380 20 5 EGBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899777 459330440 /nfs/dbraw/zinc/33/04/40/459330440.db2.gz KPYUGPHPYXQEIO-MSOLQXFVSA-N 2 2 331.460 3.380 20 5 EGBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899777 459330445 /nfs/dbraw/zinc/33/04/45/459330445.db2.gz KPYUGPHPYXQEIO-MSOLQXFVSA-N 2 2 331.460 3.380 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596060014 459504842 /nfs/dbraw/zinc/50/48/42/459504842.db2.gz XQKFCMQRDFVAGG-INIZCTEOSA-N 2 2 347.459 3.205 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596060014 459504843 /nfs/dbraw/zinc/50/48/43/459504843.db2.gz XQKFCMQRDFVAGG-INIZCTEOSA-N 2 2 347.459 3.205 20 5 EGBDLP CCc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346454749 141197647 /nfs/dbraw/zinc/19/76/47/141197647.db2.gz IQHVZKIEMCBIPU-SFHVURJKSA-N 2 2 340.383 3.326 20 5 EGBDLP C[NH+](C)CCCC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351723630 144297291 /nfs/dbraw/zinc/29/72/91/144297291.db2.gz ZZXZUWLMVTYYRZ-UHFFFAOYSA-N 2 2 341.402 3.427 20 5 EGBDLP O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000119382423 152199964 /nfs/dbraw/zinc/19/99/64/152199964.db2.gz QWBNCFAHAWTDPI-CYBMUJFWSA-N 2 2 333.775 3.297 20 5 EGBDLP O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000119382423 152199966 /nfs/dbraw/zinc/19/99/66/152199966.db2.gz QWBNCFAHAWTDPI-CYBMUJFWSA-N 2 2 333.775 3.297 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000192645437 275037882 /nfs/dbraw/zinc/03/78/82/275037882.db2.gz UZTFQJPGFDVLCF-SFHVURJKSA-N 2 2 336.395 3.452 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000417342313 309202381 /nfs/dbraw/zinc/20/23/81/309202381.db2.gz MMVACXRRAVBADU-PBHICJAKSA-N 2 2 326.400 3.163 20 5 EGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000515433168 312282848 /nfs/dbraw/zinc/28/28/48/312282848.db2.gz QAZYTJJVWUPYKK-CJNGLKHVSA-N 2 2 326.400 3.254 20 5 EGBDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000352724236 457560907 /nfs/dbraw/zinc/56/09/07/457560907.db2.gz MQCHCOJFDIGBMF-UHFFFAOYSA-N 2 2 340.836 3.056 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725789 460580786 /nfs/dbraw/zinc/58/07/86/460580786.db2.gz KFIBQPZZSKMNAI-MDZLAQPJSA-N 2 2 331.338 3.115 20 5 EGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725789 460580793 /nfs/dbraw/zinc/58/07/93/460580793.db2.gz KFIBQPZZSKMNAI-MDZLAQPJSA-N 2 2 331.338 3.115 20 5 EGBDLP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158937786 455338157 /nfs/dbraw/zinc/33/81/57/455338157.db2.gz KIVKAFADOIDNGN-MOPGFXCFSA-N 2 2 349.475 3.118 20 5 EGBDLP Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301805331 456219160 /nfs/dbraw/zinc/21/91/60/456219160.db2.gz BLNOAPZCGJCYBC-INIZCTEOSA-N 2 2 341.415 3.112 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428703 457111432 /nfs/dbraw/zinc/11/14/32/457111432.db2.gz UXEMMIJOJZBLMS-LJQANCHMSA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428703 457111436 /nfs/dbraw/zinc/11/14/36/457111436.db2.gz UXEMMIJOJZBLMS-LJQANCHMSA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428703 457111440 /nfs/dbraw/zinc/11/14/40/457111440.db2.gz UXEMMIJOJZBLMS-LJQANCHMSA-N 2 2 347.459 3.300 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428703 457111445 /nfs/dbraw/zinc/11/14/45/457111445.db2.gz UXEMMIJOJZBLMS-LJQANCHMSA-N 2 2 347.459 3.300 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366605455 457867667 /nfs/dbraw/zinc/86/76/67/457867667.db2.gz CHQALROUMFXTJB-KBXCAEBGSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366605455 457867674 /nfs/dbraw/zinc/86/76/74/457867674.db2.gz CHQALROUMFXTJB-KBXCAEBGSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366605455 457867678 /nfs/dbraw/zinc/86/76/78/457867678.db2.gz CHQALROUMFXTJB-KBXCAEBGSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366605455 457867683 /nfs/dbraw/zinc/86/76/83/457867683.db2.gz CHQALROUMFXTJB-KBXCAEBGSA-N 2 2 345.443 3.052 20 5 EGBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435390240 458134474 /nfs/dbraw/zinc/13/44/74/458134474.db2.gz QQRLZWWEKJAOTB-AWEZNQCLSA-N 2 2 345.374 3.307 20 5 EGBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435390240 458134480 /nfs/dbraw/zinc/13/44/80/458134480.db2.gz QQRLZWWEKJAOTB-AWEZNQCLSA-N 2 2 345.374 3.307 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602563387 459999012 /nfs/dbraw/zinc/99/90/12/459999012.db2.gz ZNFCUYJYFDVAOK-GXFFZTMASA-N 2 2 331.338 3.186 20 5 EGBDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000602563387 459999014 /nfs/dbraw/zinc/99/90/14/459999014.db2.gz ZNFCUYJYFDVAOK-GXFFZTMASA-N 2 2 331.338 3.186 20 5 EGBDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000876956273 1299086105 /nfs/dbraw/zinc/08/61/05/1299086105.db2.gz IPELHCMNSIOJKA-OAHLLOKOSA-N 2 2 343.387 3.137 20 5 EGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001173233657 1384941588 /nfs/dbraw/zinc/94/15/88/1384941588.db2.gz XSTHBTRCNMELAC-HNNXBMFYSA-N 2 2 340.427 3.179 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129567076 223069241 /nfs/dbraw/zinc/06/92/41/223069241.db2.gz JWRPICUVZNOMMD-WMLDXEAASA-N 2 2 344.415 3.273 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129567076 223069244 /nfs/dbraw/zinc/06/92/44/223069244.db2.gz JWRPICUVZNOMMD-WMLDXEAASA-N 2 2 344.415 3.273 20 5 EGBDLP C[N@H+](CC1CC1)C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413186443 309020315 /nfs/dbraw/zinc/02/03/15/309020315.db2.gz SPZBANKJZUHKNX-OAHLLOKOSA-N 2 2 340.427 3.311 20 5 EGBDLP C[N@@H+](CC1CC1)C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413186443 309020316 /nfs/dbraw/zinc/02/03/16/309020316.db2.gz SPZBANKJZUHKNX-OAHLLOKOSA-N 2 2 340.427 3.311 20 5 EGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCC3CC[NH+](C4CC4)CC3)c2c1 ZINC000413269640 309024311 /nfs/dbraw/zinc/02/43/11/309024311.db2.gz SSXAPYPWJVDGNV-UHFFFAOYSA-N 2 2 326.400 3.429 20 5 EGBDLP CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423088683 309385325 /nfs/dbraw/zinc/38/53/25/309385325.db2.gz QRGFKBCWZANYNY-KGLIPLIRSA-N 2 2 331.338 3.234 20 5 EGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)s2)cc1 ZINC000237989331 455242150 /nfs/dbraw/zinc/24/21/50/455242150.db2.gz GYBCTUJLJKMGKQ-UHFFFAOYSA-N 2 2 328.397 3.310 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134863047 454599766 /nfs/dbraw/zinc/59/97/66/454599766.db2.gz OCWITYOQGKNKHN-RDTXWAMCSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134863047 454599774 /nfs/dbraw/zinc/59/97/74/454599774.db2.gz OCWITYOQGKNKHN-RDTXWAMCSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134863047 454599780 /nfs/dbraw/zinc/59/97/80/454599780.db2.gz OCWITYOQGKNKHN-RDTXWAMCSA-N 2 2 345.443 3.052 20 5 EGBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134863047 454599785 /nfs/dbraw/zinc/59/97/85/454599785.db2.gz OCWITYOQGKNKHN-RDTXWAMCSA-N 2 2 345.443 3.052 20 5 EGBDLP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000152691732 454713187 /nfs/dbraw/zinc/71/31/87/454713187.db2.gz NIGMEVSTYKHQFT-CYBMUJFWSA-N 2 2 333.432 3.271 20 5 EGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795168 454837593 /nfs/dbraw/zinc/83/75/93/454837593.db2.gz GUXHTTZEUKNTIZ-UHFFFAOYSA-N 2 2 344.415 3.416 20 5 EGBDLP COc1ccc(-c2ccc(C[NH2+][C@H](C)CC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000237288686 455168576 /nfs/dbraw/zinc/16/85/76/455168576.db2.gz OUAVZAMQYAAGAX-CYBMUJFWSA-N 2 2 347.415 3.293 20 5 EGBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1[NH3+] ZINC000261686184 455927518 /nfs/dbraw/zinc/92/75/18/455927518.db2.gz AQYUMHLPGATVFN-ZUZCIYMTSA-N 2 2 335.791 3.287 20 5 EGBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1[NH3+] ZINC000261686184 455927522 /nfs/dbraw/zinc/92/75/22/455927522.db2.gz AQYUMHLPGATVFN-ZUZCIYMTSA-N 2 2 335.791 3.287 20 5 EGBDLP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447512056 458301718 /nfs/dbraw/zinc/30/17/18/458301718.db2.gz OFZVBBHWCZELHU-CVEARBPZSA-N 2 2 349.479 3.129 20 5 EGBDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057458 459230843 /nfs/dbraw/zinc/23/08/43/459230843.db2.gz XIEBDHSLLRNVKE-IAGOWNOFSA-N 2 2 331.460 3.378 20 5 EGBDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057458 459230847 /nfs/dbraw/zinc/23/08/47/459230847.db2.gz XIEBDHSLLRNVKE-IAGOWNOFSA-N 2 2 331.460 3.378 20 5 EGBDLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102117 459246023 /nfs/dbraw/zinc/24/60/23/459246023.db2.gz JVZHKFOFEVNUDR-MOPGFXCFSA-N 2 2 347.459 3.279 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000596058104 459503974 /nfs/dbraw/zinc/50/39/74/459503974.db2.gz CULRNOHZFGEEQU-AWEZNQCLSA-N 2 2 337.851 3.460 20 5 EGBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000596058104 459503979 /nfs/dbraw/zinc/50/39/79/459503979.db2.gz CULRNOHZFGEEQU-AWEZNQCLSA-N 2 2 337.851 3.460 20 5 EGBDLP CCOc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000617196451 460773049 /nfs/dbraw/zinc/77/30/49/460773049.db2.gz LCQPORPULLNLIC-HNNXBMFYSA-N 2 2 330.388 3.027 20 5 EGBDLP CCOc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000617196451 460773056 /nfs/dbraw/zinc/77/30/56/460773056.db2.gz LCQPORPULLNLIC-HNNXBMFYSA-N 2 2 330.388 3.027 20 5 EGBDLP Cc1cc(N2CCCC[C@H]2CC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601980526 460968620 /nfs/dbraw/zinc/96/86/20/460968620.db2.gz MNWGNXDAEIHRQF-HNNXBMFYSA-N 2 2 341.415 3.068 20 5 EGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000811486630 1318184073 /nfs/dbraw/zinc/18/40/73/1318184073.db2.gz LRXNTFIPHGZKRR-UHFFFAOYSA-N 2 2 332.231 3.477 20 5 EGBDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990716 1384079858 /nfs/dbraw/zinc/07/98/58/1384079858.db2.gz DRCWPYLLIRDZTI-HNAYVOBHSA-N 2 2 349.450 3.134 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001172906962 1384875442 /nfs/dbraw/zinc/87/54/42/1384875442.db2.gz ZKTGVZBVMNSXGR-OALUTQOASA-N 2 2 343.471 3.306 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001172906962 1384875444 /nfs/dbraw/zinc/87/54/44/1384875444.db2.gz ZKTGVZBVMNSXGR-OALUTQOASA-N 2 2 343.471 3.306 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001172905936 1384875489 /nfs/dbraw/zinc/87/54/89/1384875489.db2.gz VDEJSEDWPHNRRR-QZTJIDSGSA-N 2 2 343.471 3.449 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001172905936 1384875490 /nfs/dbraw/zinc/87/54/90/1384875490.db2.gz VDEJSEDWPHNRRR-QZTJIDSGSA-N 2 2 343.471 3.449 20 5 EGBDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001337033573 1389241525 /nfs/dbraw/zinc/24/15/25/1389241525.db2.gz ZLSDBOSXRKPONR-QGZVFWFLSA-N 2 2 326.400 3.375 20 5 EGBDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001337033573 1389241528 /nfs/dbraw/zinc/24/15/28/1389241528.db2.gz ZLSDBOSXRKPONR-QGZVFWFLSA-N 2 2 326.400 3.375 20 5 EGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000377294114 169007397 /nfs/dbraw/zinc/00/73/97/169007397.db2.gz REAVFMWSTHTATD-ZDUSSCGKSA-N 2 2 334.807 3.361 20 5 EGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000377294114 169007399 /nfs/dbraw/zinc/00/73/99/169007399.db2.gz REAVFMWSTHTATD-ZDUSSCGKSA-N 2 2 334.807 3.361 20 5 EGBDLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799665 141034321 /nfs/dbraw/zinc/03/43/21/141034321.db2.gz QSHAKTOSSYRQOZ-FUHWJXTLSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799665 141034324 /nfs/dbraw/zinc/03/43/24/141034324.db2.gz QSHAKTOSSYRQOZ-FUHWJXTLSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799665 141034326 /nfs/dbraw/zinc/03/43/26/141034326.db2.gz QSHAKTOSSYRQOZ-FUHWJXTLSA-N 2 2 329.444 3.352 20 5 EGBDLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799665 141034328 /nfs/dbraw/zinc/03/43/28/141034328.db2.gz QSHAKTOSSYRQOZ-FUHWJXTLSA-N 2 2 329.444 3.352 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000192924824 153266928 /nfs/dbraw/zinc/26/69/28/153266928.db2.gz KSVBLTLZAHZDRV-OAHLLOKOSA-N 2 2 331.441 3.268 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000192924824 153266935 /nfs/dbraw/zinc/26/69/35/153266935.db2.gz KSVBLTLZAHZDRV-OAHLLOKOSA-N 2 2 331.441 3.268 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000366637495 168126189 /nfs/dbraw/zinc/12/61/89/168126189.db2.gz QYNPIPZUWLBRGO-MRXNPFEDSA-N 2 2 333.432 3.054 20 5 EGBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000366637495 168126191 /nfs/dbraw/zinc/12/61/91/168126191.db2.gz QYNPIPZUWLBRGO-MRXNPFEDSA-N 2 2 333.432 3.054 20 5 EGBDLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)n2c1 ZINC000183808955 265447060 /nfs/dbraw/zinc/44/70/60/265447060.db2.gz SNOKVPOEESADEB-UHFFFAOYSA-N 2 2 330.775 3.494 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000279556973 275339848 /nfs/dbraw/zinc/33/98/48/275339848.db2.gz RKLAQOBEFPLHQX-ZIAGYGMSSA-N 2 2 343.349 3.330 20 5 EGBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000279556973 275339850 /nfs/dbraw/zinc/33/98/50/275339850.db2.gz RKLAQOBEFPLHQX-ZIAGYGMSSA-N 2 2 343.349 3.330 20 5 EGBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414924072 309109625 /nfs/dbraw/zinc/10/96/25/309109625.db2.gz GFIHZNRSTNCOED-LLVKDONJSA-N 2 2 335.791 3.477 20 5 EGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000415043668 309116233 /nfs/dbraw/zinc/11/62/33/309116233.db2.gz AWBNZHCHCIEVLQ-KRWDZBQOSA-N 2 2 329.400 3.462 20 5 EGBDLP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000423085958 309385102 /nfs/dbraw/zinc/38/51/02/309385102.db2.gz LAASQCJPFSXGMA-IINYFYTJSA-N 2 2 331.338 3.234 20 5 EGBDLP CCC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090046593 454265909 /nfs/dbraw/zinc/26/59/09/454265909.db2.gz XAPWDUINJQZYSZ-MAUKXSAKSA-N 2 2 335.448 3.136 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245586272 455335768 /nfs/dbraw/zinc/33/57/68/455335768.db2.gz JWRPICUVZNOMMD-PBHICJAKSA-N 2 2 344.415 3.273 20 5 EGBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245586272 455335771 /nfs/dbraw/zinc/33/57/71/455335771.db2.gz JWRPICUVZNOMMD-PBHICJAKSA-N 2 2 344.415 3.273 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182377872 455500712 /nfs/dbraw/zinc/50/07/12/455500712.db2.gz YXMZMRKMWLTLMB-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182377872 455500714 /nfs/dbraw/zinc/50/07/14/455500714.db2.gz YXMZMRKMWLTLMB-CYBMUJFWSA-N 2 2 348.834 3.436 20 5 EGBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000339080590 456931617 /nfs/dbraw/zinc/93/16/17/456931617.db2.gz DKGMNVZBFGKBSY-UHFFFAOYSA-N 2 2 344.415 3.189 20 5 EGBDLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435390242 458133341 /nfs/dbraw/zinc/13/33/41/458133341.db2.gz QQRLZWWEKJAOTB-CQSZACIVSA-N 2 2 345.374 3.307 20 5 EGBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435390242 458133348 /nfs/dbraw/zinc/13/33/48/458133348.db2.gz QQRLZWWEKJAOTB-CQSZACIVSA-N 2 2 345.374 3.307 20 5 EGBDLP COC1CC[NH+](CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347955 459358638 /nfs/dbraw/zinc/35/86/38/459358638.db2.gz JOFBAZDCHKIUGF-LJQANCHMSA-N 2 2 347.459 3.063 20 5 EGBDLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000859213853 1328948037 /nfs/dbraw/zinc/94/80/37/1328948037.db2.gz KAFBXQHXUKSWCB-UHFFFAOYSA-N 2 2 331.391 3.428 20 5 EGBDLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000859213853 1328948041 /nfs/dbraw/zinc/94/80/41/1328948041.db2.gz KAFBXQHXUKSWCB-UHFFFAOYSA-N 2 2 331.391 3.428 20 5 EGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000866229770 1330080951 /nfs/dbraw/zinc/08/09/51/1330080951.db2.gz TZUALJOXWKQHBZ-ZDUSSCGKSA-N 2 2 346.406 3.030 20 5 EGBDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997105 1384082187 /nfs/dbraw/zinc/08/21/87/1384082187.db2.gz XSZVTYUGSZEPRS-HNAYVOBHSA-N 2 2 349.450 3.134 20 5 EGBDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055823 1384101246 /nfs/dbraw/zinc/10/12/46/1384101246.db2.gz QQZOHDLLBDNWKU-APWZRJJASA-N 2 2 349.450 3.167 20 5 EGBDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055823 1384101248 /nfs/dbraw/zinc/10/12/48/1384101248.db2.gz QQZOHDLLBDNWKU-APWZRJJASA-N 2 2 349.450 3.167 20 5 EGBDLP COc1ccc(C[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC001170351764 1384298664 /nfs/dbraw/zinc/29/86/64/1384298664.db2.gz IHFCKGACXFCOBX-AWEZNQCLSA-N 2 2 344.415 3.068 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001172905938 1384875360 /nfs/dbraw/zinc/87/53/60/1384875360.db2.gz VDEJSEDWPHNRRR-ZWKOTPCHSA-N 2 2 343.471 3.449 20 5 EGBDLP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001172905938 1384875362 /nfs/dbraw/zinc/87/53/62/1384875362.db2.gz VDEJSEDWPHNRRR-ZWKOTPCHSA-N 2 2 343.471 3.449 20 5 EGBDLP