smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c[nH+]cc1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001648644232 1092242274 /nfs/dbraw/zinc/24/22/74/1092242274.db2.gz DKPGGMUTZSAZBM-UHFFFAOYSA-N 2 2 330.388 2.587 10 5 EFBELP CCO[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000926960772 1108294562 /nfs/dbraw/zinc/29/45/62/1108294562.db2.gz NEAROXUMPNVPBC-RHSMWYFYSA-N 2 2 335.448 2.874 10 5 EFBELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548374 296312269 /nfs/dbraw/zinc/31/22/69/296312269.db2.gz HGHLSTOKPVXFAU-BZUAXINKSA-N 2 2 335.452 2.739 10 5 EFBELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548374 296312271 /nfs/dbraw/zinc/31/22/71/296312271.db2.gz HGHLSTOKPVXFAU-BZUAXINKSA-N 2 2 335.452 2.739 10 5 EFBELP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000249054857 274303264 /nfs/dbraw/zinc/30/32/64/274303264.db2.gz YLBYNYSZTYMVPE-MLGOLLRUSA-N 2 2 345.359 2.783 10 5 EFBELP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000249054857 274303265 /nfs/dbraw/zinc/30/32/65/274303265.db2.gz YLBYNYSZTYMVPE-MLGOLLRUSA-N 2 2 345.359 2.783 10 5 EFBELP Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301232790 311125998 /nfs/dbraw/zinc/12/59/98/311125998.db2.gz KGFGIRDVGPGZDJ-AWEZNQCLSA-N 2 2 341.415 2.748 10 5 EFBELP Cc1cc(N(C)C[C@H]2CC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301232790 311125999 /nfs/dbraw/zinc/12/59/99/311125999.db2.gz KGFGIRDVGPGZDJ-AWEZNQCLSA-N 2 2 341.415 2.748 10 5 EFBELP CC[NH+](CC)[C@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480564805 313281943 /nfs/dbraw/zinc/28/19/43/313281943.db2.gz SHQJZBSVTXHRRH-CQSZACIVSA-N 2 2 343.431 2.924 10 5 EFBELP O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000056494421 472328411 /nfs/dbraw/zinc/32/84/11/472328411.db2.gz KYJOINFKUGTGJK-UHFFFAOYSA-N 2 2 333.432 2.924 10 5 EFBELP Cc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000092657961 472954567 /nfs/dbraw/zinc/95/45/67/472954567.db2.gz RSIUIXAQTRAMGS-UHFFFAOYSA-N 2 2 347.463 2.660 10 5 EFBELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147169 473052741 /nfs/dbraw/zinc/05/27/41/473052741.db2.gz LLXIDVWDZOVVTE-SFHVURJKSA-N 2 2 346.475 2.505 10 5 EFBELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147169 473052747 /nfs/dbraw/zinc/05/27/47/473052747.db2.gz LLXIDVWDZOVVTE-SFHVURJKSA-N 2 2 346.475 2.505 10 5 EFBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137050245 473192622 /nfs/dbraw/zinc/19/26/22/473192622.db2.gz XQQGMZHNAXQTKC-IRXDYDNUSA-N 2 2 344.415 2.724 10 5 EFBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163282932 473429336 /nfs/dbraw/zinc/42/93/36/473429336.db2.gz MGBMMFWEVIRUEZ-ROUUACIJSA-N 2 2 347.459 2.616 10 5 EFBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163282932 473429344 /nfs/dbraw/zinc/42/93/44/473429344.db2.gz MGBMMFWEVIRUEZ-ROUUACIJSA-N 2 2 347.459 2.616 10 5 EFBELP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000366279781 476939513 /nfs/dbraw/zinc/93/95/13/476939513.db2.gz HTVRLONBYPESEI-UHFFFAOYSA-N 2 2 349.431 2.719 10 5 EFBELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423233057 476970392 /nfs/dbraw/zinc/97/03/92/476970392.db2.gz NRLAEOUPZJDNFT-CYBMUJFWSA-N 2 2 327.388 2.573 10 5 EFBELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000423238526 476971782 /nfs/dbraw/zinc/97/17/82/476971782.db2.gz VLAHGDMCUUEJLD-ZDUSSCGKSA-N 2 2 327.388 2.573 10 5 EFBELP CC[NH+](CC)CC[C@@H](CO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413276022 477603977 /nfs/dbraw/zinc/60/39/77/477603977.db2.gz VTUMMSDQLZGDDR-AWEZNQCLSA-N 2 2 332.404 2.648 10 5 EFBELP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000459656647 478025990 /nfs/dbraw/zinc/02/59/90/478025990.db2.gz GZRRTVNAYQEFLW-YOEHRIQHSA-N 2 2 328.416 2.872 10 5 EFBELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145722 478520788 /nfs/dbraw/zinc/52/07/88/478520788.db2.gz SDDJHVZEVPZTKF-KZULUSFZSA-N 2 2 328.416 2.691 10 5 EFBELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145722 478520795 /nfs/dbraw/zinc/52/07/95/478520795.db2.gz SDDJHVZEVPZTKF-KZULUSFZSA-N 2 2 328.416 2.691 10 5 EFBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000595052795 478642952 /nfs/dbraw/zinc/64/29/52/478642952.db2.gz AFXTWSBMZPQTSW-CJNGLKHVSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000595052795 478642964 /nfs/dbraw/zinc/64/29/64/478642964.db2.gz AFXTWSBMZPQTSW-CJNGLKHVSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000595052796 478644372 /nfs/dbraw/zinc/64/43/72/478644372.db2.gz AFXTWSBMZPQTSW-CZUORRHYSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000595052796 478644377 /nfs/dbraw/zinc/64/43/77/478644377.db2.gz AFXTWSBMZPQTSW-CZUORRHYSA-N 2 2 348.447 2.774 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478615 478908850 /nfs/dbraw/zinc/90/88/50/478908850.db2.gz GBNUAWSYJGVETJ-TZMCWYRMSA-N 2 2 330.388 2.700 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478615 478908857 /nfs/dbraw/zinc/90/88/57/478908857.db2.gz GBNUAWSYJGVETJ-TZMCWYRMSA-N 2 2 330.388 2.700 10 5 EFBELP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000573402757 479058200 /nfs/dbraw/zinc/05/82/00/479058200.db2.gz OOGQJDFUXZTWRQ-OCCSQVGLSA-N 2 2 328.416 2.833 10 5 EFBELP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1C1CC1 ZINC000573402757 479058206 /nfs/dbraw/zinc/05/82/06/479058206.db2.gz OOGQJDFUXZTWRQ-OCCSQVGLSA-N 2 2 328.416 2.833 10 5 EFBELP CC(C)C[N@@H+]1CCO[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599015353 479126123 /nfs/dbraw/zinc/12/61/23/479126123.db2.gz LEVFAMZVOJGACG-OAHLLOKOSA-N 2 2 344.415 2.912 10 5 EFBELP CC(C)C[N@H+]1CCO[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599015353 479126131 /nfs/dbraw/zinc/12/61/31/479126131.db2.gz LEVFAMZVOJGACG-OAHLLOKOSA-N 2 2 344.415 2.912 10 5 EFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585717001 479315769 /nfs/dbraw/zinc/31/57/69/479315769.db2.gz SQMMAJGOJAUPRW-DOTOQJQBSA-N 2 2 333.432 2.843 10 5 EFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585717001 479315773 /nfs/dbraw/zinc/31/57/73/479315773.db2.gz SQMMAJGOJAUPRW-DOTOQJQBSA-N 2 2 333.432 2.843 10 5 EFBELP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597248027 479643355 /nfs/dbraw/zinc/64/33/55/479643355.db2.gz JOVJUODMGLRAFB-ZGRWHYIRSA-N 2 2 333.432 2.651 10 5 EFBELP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597248027 479643362 /nfs/dbraw/zinc/64/33/62/479643362.db2.gz JOVJUODMGLRAFB-ZGRWHYIRSA-N 2 2 333.432 2.651 10 5 EFBELP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597248025 479643533 /nfs/dbraw/zinc/64/35/33/479643533.db2.gz JOVJUODMGLRAFB-CTEOGUNLSA-N 2 2 333.432 2.651 10 5 EFBELP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597248025 479643538 /nfs/dbraw/zinc/64/35/38/479643538.db2.gz JOVJUODMGLRAFB-CTEOGUNLSA-N 2 2 333.432 2.651 10 5 EFBELP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733329412 1265172300 /nfs/dbraw/zinc/17/23/00/1265172300.db2.gz SOOPTMODLYQTGO-QGZVFWFLSA-N 2 2 333.432 2.636 10 5 EFBELP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733329411 1265173067 /nfs/dbraw/zinc/17/30/67/1265173067.db2.gz SOOPTMODLYQTGO-KRWDZBQOSA-N 2 2 333.432 2.636 10 5 EFBELP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000903967370 1313509818 /nfs/dbraw/zinc/50/98/18/1313509818.db2.gz IQAZSPFBZJAWLW-YPMHNXCESA-N 2 2 332.429 2.663 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183331613 235012194 /nfs/dbraw/zinc/01/21/94/235012194.db2.gz KOXJYDXPOWAOCY-LJQANCHMSA-N 2 2 346.475 2.505 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000183331613 235012198 /nfs/dbraw/zinc/01/21/98/235012198.db2.gz KOXJYDXPOWAOCY-LJQANCHMSA-N 2 2 346.475 2.505 10 5 EFBELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414943849 244397049 /nfs/dbraw/zinc/39/70/49/244397049.db2.gz OLEWIGDODIRBGR-IAQYHMDHSA-N 2 2 332.429 2.806 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461282 217227541 /nfs/dbraw/zinc/22/75/41/217227541.db2.gz JWHNRUZRJFNWGH-DYVFJYSZSA-N 2 2 349.431 2.623 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461282 217227544 /nfs/dbraw/zinc/22/75/44/217227544.db2.gz JWHNRUZRJFNWGH-DYVFJYSZSA-N 2 2 349.431 2.623 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461282 217227548 /nfs/dbraw/zinc/22/75/48/217227548.db2.gz JWHNRUZRJFNWGH-DYVFJYSZSA-N 2 2 349.431 2.623 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461282 217227551 /nfs/dbraw/zinc/22/75/51/217227551.db2.gz JWHNRUZRJFNWGH-DYVFJYSZSA-N 2 2 349.431 2.623 10 5 EFBELP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000349966450 142384250 /nfs/dbraw/zinc/38/42/50/142384250.db2.gz MQGXMJJTGQEHFX-UHFFFAOYSA-N 2 2 326.400 2.929 10 5 EFBELP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374213795 151302390 /nfs/dbraw/zinc/30/23/90/151302390.db2.gz WCDDHKDQZVIPQR-GFCCVEGCSA-N 2 2 343.387 2.525 10 5 EFBELP Cc1nc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000301667041 311151122 /nfs/dbraw/zinc/15/11/22/311151122.db2.gz OVQXLKNDAHMDKT-UHFFFAOYSA-N 2 2 347.463 2.660 10 5 EFBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826326 312054819 /nfs/dbraw/zinc/05/48/19/312054819.db2.gz FMMOPTYJCXUMDA-CXAGYDPISA-N 2 2 342.399 2.602 10 5 EFBELP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423494183 312424714 /nfs/dbraw/zinc/42/47/14/312424714.db2.gz RXCWZCSUNKDZQD-OALUTQOASA-N 2 2 341.411 2.652 10 5 EFBELP CC[NH+]1CCC([N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 ZINC000057105496 472382154 /nfs/dbraw/zinc/38/21/54/472382154.db2.gz QCUBPMOSHALUKG-UHFFFAOYSA-N 2 2 343.431 2.851 10 5 EFBELP CC[NH+]1CCC([N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 ZINC000057105496 472382161 /nfs/dbraw/zinc/38/21/61/472382161.db2.gz QCUBPMOSHALUKG-UHFFFAOYSA-N 2 2 343.431 2.851 10 5 EFBELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171600081 473419475 /nfs/dbraw/zinc/41/94/75/473419475.db2.gz YZHKIHTVRSQRFP-UHFFFAOYSA-N 2 2 332.379 2.922 10 5 EFBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247011600 474035027 /nfs/dbraw/zinc/03/50/27/474035027.db2.gz MGBMMFWEVIRUEZ-QZTJIDSGSA-N 2 2 347.459 2.616 10 5 EFBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247011600 474035032 /nfs/dbraw/zinc/03/50/32/474035032.db2.gz MGBMMFWEVIRUEZ-QZTJIDSGSA-N 2 2 347.459 2.616 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262777 474492501 /nfs/dbraw/zinc/49/25/01/474492501.db2.gz MVIVXIBHTRUGFP-IUODEOHRSA-N 2 2 339.411 2.905 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262777 474492505 /nfs/dbraw/zinc/49/25/05/474492505.db2.gz MVIVXIBHTRUGFP-IUODEOHRSA-N 2 2 339.411 2.905 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262777 474492511 /nfs/dbraw/zinc/49/25/11/474492511.db2.gz MVIVXIBHTRUGFP-IUODEOHRSA-N 2 2 339.411 2.905 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262777 474492518 /nfs/dbraw/zinc/49/25/18/474492518.db2.gz MVIVXIBHTRUGFP-IUODEOHRSA-N 2 2 339.411 2.905 10 5 EFBELP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541315 475394969 /nfs/dbraw/zinc/39/49/69/475394969.db2.gz WIWIQBDQCQFUCC-MRXNPFEDSA-N 2 2 333.432 2.767 10 5 EFBELP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541315 475394972 /nfs/dbraw/zinc/39/49/72/475394972.db2.gz WIWIQBDQCQFUCC-MRXNPFEDSA-N 2 2 333.432 2.767 10 5 EFBELP COc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541315 475394977 /nfs/dbraw/zinc/39/49/77/475394977.db2.gz WIWIQBDQCQFUCC-MRXNPFEDSA-N 2 2 333.432 2.767 10 5 EFBELP COc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541315 475394986 /nfs/dbraw/zinc/39/49/86/475394986.db2.gz WIWIQBDQCQFUCC-MRXNPFEDSA-N 2 2 333.432 2.767 10 5 EFBELP CC[NH+](CC)[C@H](C)CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353589511 476103820 /nfs/dbraw/zinc/10/38/20/476103820.db2.gz HELWJNJVRAWIOJ-RHSMWYFYSA-N 2 2 345.447 2.738 10 5 EFBELP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262207 477202880 /nfs/dbraw/zinc/20/28/80/477202880.db2.gz KMJJBGYIAIKKEV-QZTJIDSGSA-N 2 2 335.448 2.872 10 5 EFBELP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262207 477202885 /nfs/dbraw/zinc/20/28/85/477202885.db2.gz KMJJBGYIAIKKEV-QZTJIDSGSA-N 2 2 335.448 2.872 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600776738 478514416 /nfs/dbraw/zinc/51/44/16/478514416.db2.gz RMHSTFDJYZNKQS-OCCSQVGLSA-N 2 2 331.338 2.862 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600776738 478514423 /nfs/dbraw/zinc/51/44/23/478514423.db2.gz RMHSTFDJYZNKQS-OCCSQVGLSA-N 2 2 331.338 2.862 10 5 EFBELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145721 478521459 /nfs/dbraw/zinc/52/14/59/478521459.db2.gz SDDJHVZEVPZTKF-KPZWWZAWSA-N 2 2 328.416 2.691 10 5 EFBELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145721 478521464 /nfs/dbraw/zinc/52/14/64/478521464.db2.gz SDDJHVZEVPZTKF-KPZWWZAWSA-N 2 2 328.416 2.691 10 5 EFBELP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000594739271 478523420 /nfs/dbraw/zinc/52/34/20/478523420.db2.gz RQPYRHQQLAWSFI-IAGOWNOFSA-N 2 2 341.411 2.839 10 5 EFBELP Cc1ccc2[nH+]cc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)n2c1 ZINC000601149109 478689896 /nfs/dbraw/zinc/68/98/96/478689896.db2.gz IQBUKMYTQAXTQN-SFHVURJKSA-N 2 2 340.383 2.548 10 5 EFBELP Cc1ccc2[nH+]cc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)n2c1 ZINC000601149108 478689935 /nfs/dbraw/zinc/68/99/35/478689935.db2.gz IQBUKMYTQAXTQN-GOSISDBHSA-N 2 2 340.383 2.548 10 5 EFBELP COc1ccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)o2)c([N+](=O)[O-])c1 ZINC000596111410 479145121 /nfs/dbraw/zinc/14/51/21/479145121.db2.gz XQWUTOXKMNUVTN-UHFFFAOYSA-N 2 2 343.383 2.705 10 5 EFBELP C[NH+](C)CCC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599111267 479164696 /nfs/dbraw/zinc/16/46/96/479164696.db2.gz MUDMHXIICJZEET-OAHLLOKOSA-N 2 2 344.415 2.690 10 5 EFBELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000599668474 479379480 /nfs/dbraw/zinc/37/94/80/479379480.db2.gz FVDSGHXVHUYENM-UHFFFAOYSA-N 2 2 333.432 2.672 10 5 EFBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000589494287 479534175 /nfs/dbraw/zinc/53/41/75/479534175.db2.gz MQKPPIMIJBFIEO-UHFFFAOYSA-N 2 2 349.431 2.686 10 5 EFBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000589494287 479534179 /nfs/dbraw/zinc/53/41/79/479534179.db2.gz MQKPPIMIJBFIEO-UHFFFAOYSA-N 2 2 349.431 2.686 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443629 521720030 /nfs/dbraw/zinc/72/00/30/521720030.db2.gz XIYVBEZFRQNJGL-YOEHRIQHSA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443629 521720031 /nfs/dbraw/zinc/72/00/31/521720031.db2.gz XIYVBEZFRQNJGL-YOEHRIQHSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443629 521720032 /nfs/dbraw/zinc/72/00/32/521720032.db2.gz XIYVBEZFRQNJGL-YOEHRIQHSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443629 521720034 /nfs/dbraw/zinc/72/00/34/521720034.db2.gz XIYVBEZFRQNJGL-YOEHRIQHSA-N 2 2 348.447 2.504 10 5 EFBELP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001198768433 1295243037 /nfs/dbraw/zinc/24/30/37/1295243037.db2.gz HLPWPHNELUWOOT-UHFFFAOYSA-N 2 2 345.359 2.616 10 5 EFBELP O=[N+]([O-])c1ccccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000071792534 215828388 /nfs/dbraw/zinc/82/83/88/215828388.db2.gz YZFCHEBIEATJCP-UHFFFAOYSA-N 2 2 326.400 2.744 10 5 EFBELP CC[N@H+](C)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302741968 311198807 /nfs/dbraw/zinc/19/88/07/311198807.db2.gz DBCMEPDQRBLHHI-MRXNPFEDSA-N 2 2 341.415 2.891 10 5 EFBELP CC[N@@H+](C)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302741968 311198809 /nfs/dbraw/zinc/19/88/09/311198809.db2.gz DBCMEPDQRBLHHI-MRXNPFEDSA-N 2 2 341.415 2.891 10 5 EFBELP COc1ccc(-c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414930752 312065771 /nfs/dbraw/zinc/06/57/71/312065771.db2.gz PEYXJLAVNVXJJE-BLLLJJGKSA-N 2 2 345.399 2.951 10 5 EFBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCCC2 ZINC000417349427 312212721 /nfs/dbraw/zinc/21/27/21/312212721.db2.gz LDGCRFVXEYVCII-MJGOQNOKSA-N 2 2 347.459 2.799 10 5 EFBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCCC2 ZINC000417349427 312212723 /nfs/dbraw/zinc/21/27/23/312212723.db2.gz LDGCRFVXEYVCII-MJGOQNOKSA-N 2 2 347.459 2.799 10 5 EFBELP COc1cc[nH+]c(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000183329174 323329868 /nfs/dbraw/zinc/32/98/68/323329868.db2.gz KJIKUCUZLISBFY-UHFFFAOYSA-N 2 2 342.399 2.629 10 5 EFBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483564 473290779 /nfs/dbraw/zinc/29/07/79/473290779.db2.gz JDJFGBBIKGFJCQ-GOSISDBHSA-N 2 2 340.427 2.944 10 5 EFBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483564 473290791 /nfs/dbraw/zinc/29/07/91/473290791.db2.gz JDJFGBBIKGFJCQ-GOSISDBHSA-N 2 2 340.427 2.944 10 5 EFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483564 473290798 /nfs/dbraw/zinc/29/07/98/473290798.db2.gz JDJFGBBIKGFJCQ-GOSISDBHSA-N 2 2 340.427 2.944 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998543 473826564 /nfs/dbraw/zinc/82/65/64/473826564.db2.gz WXWPMBFHKXKPMB-IUODEOHRSA-N 2 2 336.392 2.665 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998543 473826574 /nfs/dbraw/zinc/82/65/74/473826574.db2.gz WXWPMBFHKXKPMB-IUODEOHRSA-N 2 2 336.392 2.665 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998543 473826581 /nfs/dbraw/zinc/82/65/81/473826581.db2.gz WXWPMBFHKXKPMB-IUODEOHRSA-N 2 2 336.392 2.665 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998543 473826589 /nfs/dbraw/zinc/82/65/89/473826589.db2.gz WXWPMBFHKXKPMB-IUODEOHRSA-N 2 2 336.392 2.665 10 5 EFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194042803 473832539 /nfs/dbraw/zinc/83/25/39/473832539.db2.gz UGQZNWORCGBVFI-OAHLLOKOSA-N 2 2 345.359 2.673 10 5 EFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194042803 473832548 /nfs/dbraw/zinc/83/25/48/473832548.db2.gz UGQZNWORCGBVFI-OAHLLOKOSA-N 2 2 345.359 2.673 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779400 474095263 /nfs/dbraw/zinc/09/52/63/474095263.db2.gz QNEKLPRETOXPBT-PBHICJAKSA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779400 474095268 /nfs/dbraw/zinc/09/52/68/474095268.db2.gz QNEKLPRETOXPBT-PBHICJAKSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779400 474095276 /nfs/dbraw/zinc/09/52/76/474095276.db2.gz QNEKLPRETOXPBT-PBHICJAKSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779400 474095285 /nfs/dbraw/zinc/09/52/85/474095285.db2.gz QNEKLPRETOXPBT-PBHICJAKSA-N 2 2 348.447 2.504 10 5 EFBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248742854 474422882 /nfs/dbraw/zinc/42/28/82/474422882.db2.gz AKROKAOSKGUWTJ-WMZOPIPTSA-N 2 2 333.432 2.673 10 5 EFBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248742854 474422891 /nfs/dbraw/zinc/42/28/91/474422891.db2.gz AKROKAOSKGUWTJ-WMZOPIPTSA-N 2 2 333.432 2.673 10 5 EFBELP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541314 475396161 /nfs/dbraw/zinc/39/61/61/475396161.db2.gz WIWIQBDQCQFUCC-INIZCTEOSA-N 2 2 333.432 2.767 10 5 EFBELP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541314 475396165 /nfs/dbraw/zinc/39/61/65/475396165.db2.gz WIWIQBDQCQFUCC-INIZCTEOSA-N 2 2 333.432 2.767 10 5 EFBELP COc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541314 475396170 /nfs/dbraw/zinc/39/61/70/475396170.db2.gz WIWIQBDQCQFUCC-INIZCTEOSA-N 2 2 333.432 2.767 10 5 EFBELP COc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000352541314 475396173 /nfs/dbraw/zinc/39/61/73/475396173.db2.gz WIWIQBDQCQFUCC-INIZCTEOSA-N 2 2 333.432 2.767 10 5 EFBELP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000352776295 475612437 /nfs/dbraw/zinc/61/24/37/475612437.db2.gz BPAIOZUMTDNHCQ-BBRMVZONSA-N 2 2 330.388 2.883 10 5 EFBELP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000352776295 475612442 /nfs/dbraw/zinc/61/24/42/475612442.db2.gz BPAIOZUMTDNHCQ-BBRMVZONSA-N 2 2 330.388 2.883 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707208 475827413 /nfs/dbraw/zinc/82/74/13/475827413.db2.gz RJEQRHKYOCFJND-CABCVRRESA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707208 475827418 /nfs/dbraw/zinc/82/74/18/475827418.db2.gz RJEQRHKYOCFJND-CABCVRRESA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707208 475827424 /nfs/dbraw/zinc/82/74/24/475827424.db2.gz RJEQRHKYOCFJND-CABCVRRESA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707208 475827431 /nfs/dbraw/zinc/82/74/31/475827431.db2.gz RJEQRHKYOCFJND-CABCVRRESA-N 2 2 348.447 2.504 10 5 EFBELP Cc1cc[nH+]cc1N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000340600804 476141938 /nfs/dbraw/zinc/14/19/38/476141938.db2.gz OTYQHDKGXSTWQX-UHFFFAOYSA-N 2 2 326.400 2.663 10 5 EFBELP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378060428 476680946 /nfs/dbraw/zinc/68/09/46/476680946.db2.gz OYUDPAUYYRVBDH-LBPRGKRZSA-N 2 2 343.387 2.525 10 5 EFBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423237000 476972899 /nfs/dbraw/zinc/97/28/99/476972899.db2.gz HTRIOZXQOHPGCU-CXAGYDPISA-N 2 2 342.399 2.602 10 5 EFBELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548376 477010725 /nfs/dbraw/zinc/01/07/25/477010725.db2.gz HGHLSTOKPVXFAU-OAGGEKHMSA-N 2 2 335.452 2.739 10 5 EFBELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548376 477010729 /nfs/dbraw/zinc/01/07/29/477010729.db2.gz HGHLSTOKPVXFAU-OAGGEKHMSA-N 2 2 335.452 2.739 10 5 EFBELP O=[N+]([O-])c1c(NCCCC[NH+]2CCOCC2)ccc2c[nH+]ccc21 ZINC000599020529 479128116 /nfs/dbraw/zinc/12/81/16/479128116.db2.gz UUCUKDJLKPOUON-UHFFFAOYSA-N 2 2 330.388 2.667 10 5 EFBELP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614771465 479506740 /nfs/dbraw/zinc/50/67/40/479506740.db2.gz KUHRHLIFKVNZPO-CQSZACIVSA-N 2 2 342.399 2.823 10 5 EFBELP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614771465 479506746 /nfs/dbraw/zinc/50/67/46/479506746.db2.gz KUHRHLIFKVNZPO-CQSZACIVSA-N 2 2 342.399 2.823 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502348 479532908 /nfs/dbraw/zinc/53/29/08/479532908.db2.gz VCBDVLPJZFGJDZ-CJNGLKHVSA-N 2 2 349.431 2.544 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502348 479532915 /nfs/dbraw/zinc/53/29/15/479532915.db2.gz VCBDVLPJZFGJDZ-CJNGLKHVSA-N 2 2 349.431 2.544 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502348 479532923 /nfs/dbraw/zinc/53/29/23/479532923.db2.gz VCBDVLPJZFGJDZ-CJNGLKHVSA-N 2 2 349.431 2.544 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502348 479532930 /nfs/dbraw/zinc/53/29/30/479532930.db2.gz VCBDVLPJZFGJDZ-CJNGLKHVSA-N 2 2 349.431 2.544 10 5 EFBELP CCC[NH+]1CCC([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589497408 479533348 /nfs/dbraw/zinc/53/33/48/479533348.db2.gz TYSZRHQZTWNDIP-UHFFFAOYSA-N 2 2 349.431 2.688 10 5 EFBELP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589497408 479533356 /nfs/dbraw/zinc/53/33/56/479533356.db2.gz TYSZRHQZTWNDIP-UHFFFAOYSA-N 2 2 349.431 2.688 10 5 EFBELP COc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000610368697 480291563 /nfs/dbraw/zinc/29/15/63/480291563.db2.gz CUNJIWSMJHWERY-CQSZACIVSA-N 2 2 346.387 2.516 10 5 EFBELP COc1ccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000610368697 480291568 /nfs/dbraw/zinc/29/15/68/480291568.db2.gz CUNJIWSMJHWERY-CQSZACIVSA-N 2 2 346.387 2.516 10 5 EFBELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230103 533793241 /nfs/dbraw/zinc/79/32/41/533793241.db2.gz NESYONRCNIJBOP-YPMHNXCESA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230103 533793249 /nfs/dbraw/zinc/79/32/49/533793249.db2.gz NESYONRCNIJBOP-YPMHNXCESA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230103 533793255 /nfs/dbraw/zinc/79/32/55/533793255.db2.gz NESYONRCNIJBOP-YPMHNXCESA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230103 533793261 /nfs/dbraw/zinc/79/32/61/533793261.db2.gz NESYONRCNIJBOP-YPMHNXCESA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c([N+](=O)[O-])cc1F ZINC001460965137 1396275322 /nfs/dbraw/zinc/27/53/22/1396275322.db2.gz MOAWAPCSWMPTPS-UHFFFAOYSA-N 2 2 348.378 2.856 10 5 EFBELP O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925761130 717232247 /nfs/dbraw/zinc/23/22/47/717232247.db2.gz AHIDBJHSRSYKFT-FUNVUKJBSA-N 2 2 340.221 2.730 10 5 EFBELP O=C(Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001598081145 1094655045 /nfs/dbraw/zinc/65/50/45/1094655045.db2.gz CZEOSWMFCYIEGL-UHFFFAOYSA-N 2 2 348.322 2.681 10 5 EFBELP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414943852 244397693 /nfs/dbraw/zinc/39/76/93/244397693.db2.gz OLEWIGDODIRBGR-XHDPSFHLSA-N 2 2 332.429 2.806 10 5 EFBELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344799731 142080418 /nfs/dbraw/zinc/08/04/18/142080418.db2.gz ZFTSEWRUUCFJHA-OTMARIDSSA-N 2 2 333.432 2.699 10 5 EFBELP COCC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344799731 142080419 /nfs/dbraw/zinc/08/04/19/142080419.db2.gz ZFTSEWRUUCFJHA-OTMARIDSSA-N 2 2 333.432 2.699 10 5 EFBELP [NH3+]CCN(Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1[N+](=O)[O-] ZINC000348918317 146024714 /nfs/dbraw/zinc/02/47/14/146024714.db2.gz BRSQHALGMQZHGV-UHFFFAOYSA-N 2 2 343.412 2.807 10 5 EFBELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374200160 151300035 /nfs/dbraw/zinc/30/00/35/151300035.db2.gz OTPULNAYWJJZRG-UHFFFAOYSA-N 2 2 343.387 2.526 10 5 EFBELP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641879 227192062 /nfs/dbraw/zinc/19/20/62/227192062.db2.gz KJLGQDLYGNEXPC-INIZCTEOSA-N 2 2 326.400 2.966 10 5 EFBELP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641879 227192068 /nfs/dbraw/zinc/19/20/68/227192068.db2.gz KJLGQDLYGNEXPC-INIZCTEOSA-N 2 2 326.400 2.966 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262762 276225547 /nfs/dbraw/zinc/22/55/47/276225547.db2.gz MVIVXIBHTRUGFP-DOMZBBRYSA-N 2 2 339.411 2.905 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262762 276225548 /nfs/dbraw/zinc/22/55/48/276225548.db2.gz MVIVXIBHTRUGFP-DOMZBBRYSA-N 2 2 339.411 2.905 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262762 276225549 /nfs/dbraw/zinc/22/55/49/276225549.db2.gz MVIVXIBHTRUGFP-DOMZBBRYSA-N 2 2 339.411 2.905 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000184262762 276225550 /nfs/dbraw/zinc/22/55/50/276225550.db2.gz MVIVXIBHTRUGFP-DOMZBBRYSA-N 2 2 339.411 2.905 10 5 EFBELP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301872115 311163948 /nfs/dbraw/zinc/16/39/48/311163948.db2.gz XAVHAZUJIQFFOX-BYICEURKSA-N 2 2 344.459 2.650 10 5 EFBELP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301872115 311163949 /nfs/dbraw/zinc/16/39/49/311163949.db2.gz XAVHAZUJIQFFOX-BYICEURKSA-N 2 2 344.459 2.650 10 5 EFBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483614 473290672 /nfs/dbraw/zinc/29/06/72/473290672.db2.gz XXNPJIDVIBFOFB-GOSISDBHSA-N 2 2 340.427 2.944 10 5 EFBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483614 473290678 /nfs/dbraw/zinc/29/06/78/473290678.db2.gz XXNPJIDVIBFOFB-GOSISDBHSA-N 2 2 340.427 2.944 10 5 EFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483614 473290690 /nfs/dbraw/zinc/29/06/90/473290690.db2.gz XXNPJIDVIBFOFB-GOSISDBHSA-N 2 2 340.427 2.944 10 5 EFBELP Cc1c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000109751172 473117244 /nfs/dbraw/zinc/11/72/44/473117244.db2.gz ZYHVBMVMQJVVQI-SFHVURJKSA-N 2 2 346.475 2.505 10 5 EFBELP Cc1c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000109751172 473117249 /nfs/dbraw/zinc/11/72/49/473117249.db2.gz ZYHVBMVMQJVVQI-SFHVURJKSA-N 2 2 346.475 2.505 10 5 EFBELP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151300309 473440529 /nfs/dbraw/zinc/44/05/29/473440529.db2.gz YPHNVVDQEQZIOB-ZWKOTPCHSA-N 2 2 335.448 2.872 10 5 EFBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192813800 473730955 /nfs/dbraw/zinc/73/09/55/473730955.db2.gz AKROKAOSKGUWTJ-SJLPKXTDSA-N 2 2 333.432 2.673 10 5 EFBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192813800 473730963 /nfs/dbraw/zinc/73/09/63/473730963.db2.gz AKROKAOSKGUWTJ-SJLPKXTDSA-N 2 2 333.432 2.673 10 5 EFBELP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246340327 473833250 /nfs/dbraw/zinc/83/32/50/473833250.db2.gz USJKNQCICVDYKR-SJLPKXTDSA-N 2 2 333.432 2.579 10 5 EFBELP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246340327 473833260 /nfs/dbraw/zinc/83/32/60/473833260.db2.gz USJKNQCICVDYKR-SJLPKXTDSA-N 2 2 333.432 2.579 10 5 EFBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246363756 473840575 /nfs/dbraw/zinc/84/05/75/473840575.db2.gz XQQGMZHNAXQTKC-DLBZAZTESA-N 2 2 344.415 2.724 10 5 EFBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246363756 473840583 /nfs/dbraw/zinc/84/05/83/473840583.db2.gz XQQGMZHNAXQTKC-DLBZAZTESA-N 2 2 344.415 2.724 10 5 EFBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265553163 474250513 /nfs/dbraw/zinc/25/05/13/474250513.db2.gz ZBPTYWHFZDPVMA-GFCCVEGCSA-N 2 2 343.387 2.525 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292232210 474916564 /nfs/dbraw/zinc/91/65/64/474916564.db2.gz VYKKGTHJTMYNFU-GOSISDBHSA-N 2 2 333.432 2.910 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292232210 474916569 /nfs/dbraw/zinc/91/65/69/474916569.db2.gz VYKKGTHJTMYNFU-GOSISDBHSA-N 2 2 333.432 2.910 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292232210 474916578 /nfs/dbraw/zinc/91/65/78/474916578.db2.gz VYKKGTHJTMYNFU-GOSISDBHSA-N 2 2 333.432 2.910 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292232210 474916586 /nfs/dbraw/zinc/91/65/86/474916586.db2.gz VYKKGTHJTMYNFU-GOSISDBHSA-N 2 2 333.432 2.910 10 5 EFBELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000340597139 476137917 /nfs/dbraw/zinc/13/79/17/476137917.db2.gz UWYGAVLMLWMKGZ-UHFFFAOYSA-N 2 2 326.400 2.929 10 5 EFBELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000354097772 476423237 /nfs/dbraw/zinc/42/32/37/476423237.db2.gz SMEILDZANOIGBJ-AWEZNQCLSA-N 2 2 327.450 2.589 10 5 EFBELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000354097772 476423240 /nfs/dbraw/zinc/42/32/40/476423240.db2.gz SMEILDZANOIGBJ-AWEZNQCLSA-N 2 2 327.450 2.589 10 5 EFBELP CC1([NH+]2CCOCC2)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000600201318 478278893 /nfs/dbraw/zinc/27/88/93/478278893.db2.gz HIAKMJNJNWVTSV-GQCTYLIASA-N 2 2 345.443 2.795 10 5 EFBELP CC1([NH+]2CCOCC2)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000600201319 478279345 /nfs/dbraw/zinc/27/93/45/478279345.db2.gz HIAKMJNJNWVTSV-XQRVVYSFSA-N 2 2 345.443 2.795 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600776737 478514828 /nfs/dbraw/zinc/51/48/28/478514828.db2.gz RMHSTFDJYZNKQS-JSGCOSHPSA-N 2 2 331.338 2.862 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600776737 478514833 /nfs/dbraw/zinc/51/48/33/478514833.db2.gz RMHSTFDJYZNKQS-JSGCOSHPSA-N 2 2 331.338 2.862 10 5 EFBELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145724 478521840 /nfs/dbraw/zinc/52/18/40/478521840.db2.gz SDDJHVZEVPZTKF-XIKOKIGWSA-N 2 2 328.416 2.691 10 5 EFBELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145724 478521846 /nfs/dbraw/zinc/52/18/46/478521846.db2.gz SDDJHVZEVPZTKF-XIKOKIGWSA-N 2 2 328.416 2.691 10 5 EFBELP Cc1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000595471473 478803063 /nfs/dbraw/zinc/80/30/63/478803063.db2.gz BLYXEDCTPALOFB-ZDUSSCGKSA-N 2 2 345.403 2.804 10 5 EFBELP Cc1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000595471473 478803072 /nfs/dbraw/zinc/80/30/72/478803072.db2.gz BLYXEDCTPALOFB-ZDUSSCGKSA-N 2 2 345.403 2.804 10 5 EFBELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000592184399 478817410 /nfs/dbraw/zinc/81/74/10/478817410.db2.gz KDNPZNUVPOSARG-UHFFFAOYSA-N 2 2 339.823 2.545 10 5 EFBELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000592184399 478817417 /nfs/dbraw/zinc/81/74/17/478817417.db2.gz KDNPZNUVPOSARG-UHFFFAOYSA-N 2 2 339.823 2.545 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478613 478909029 /nfs/dbraw/zinc/90/90/29/478909029.db2.gz GBNUAWSYJGVETJ-JSGCOSHPSA-N 2 2 330.388 2.700 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478613 478909034 /nfs/dbraw/zinc/90/90/34/478909034.db2.gz GBNUAWSYJGVETJ-JSGCOSHPSA-N 2 2 330.388 2.700 10 5 EFBELP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000546573754 479034125 /nfs/dbraw/zinc/03/41/25/479034125.db2.gz ALCGMUOKBBFHDB-HNNXBMFYSA-N 2 2 346.431 2.554 10 5 EFBELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000546573754 479034128 /nfs/dbraw/zinc/03/41/28/479034128.db2.gz ALCGMUOKBBFHDB-HNNXBMFYSA-N 2 2 346.431 2.554 10 5 EFBELP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000573402758 479058299 /nfs/dbraw/zinc/05/82/99/479058299.db2.gz OOGQJDFUXZTWRQ-TZMCWYRMSA-N 2 2 328.416 2.833 10 5 EFBELP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1C1CC1 ZINC000573402758 479058306 /nfs/dbraw/zinc/05/83/06/479058306.db2.gz OOGQJDFUXZTWRQ-TZMCWYRMSA-N 2 2 328.416 2.833 10 5 EFBELP COCC[N@@H+]1CCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599040573 479135014 /nfs/dbraw/zinc/13/50/14/479135014.db2.gz KEKZSSQNKSJIRD-CQSZACIVSA-N 2 2 330.388 2.666 10 5 EFBELP COCC[N@H+]1CCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599040573 479135023 /nfs/dbraw/zinc/13/50/23/479135023.db2.gz KEKZSSQNKSJIRD-CQSZACIVSA-N 2 2 330.388 2.666 10 5 EFBELP C[NH+](C)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCOCC1 ZINC000599044363 479136803 /nfs/dbraw/zinc/13/68/03/479136803.db2.gz PTPDTAAMMOTPDC-UHFFFAOYSA-N 2 2 330.388 2.666 10 5 EFBELP O=[N+]([O-])c1c(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc2c[nH+]ccc21 ZINC000599060025 479143302 /nfs/dbraw/zinc/14/33/02/479143302.db2.gz LKBHQUPLMCSFOH-HNNXBMFYSA-N 2 2 342.399 2.808 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502202 479534108 /nfs/dbraw/zinc/53/41/08/479534108.db2.gz OOIRZGHVAFAALA-BBRMVZONSA-N 2 2 349.431 2.686 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502202 479534112 /nfs/dbraw/zinc/53/41/12/479534112.db2.gz OOIRZGHVAFAALA-BBRMVZONSA-N 2 2 349.431 2.686 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502202 479534116 /nfs/dbraw/zinc/53/41/16/479534116.db2.gz OOIRZGHVAFAALA-BBRMVZONSA-N 2 2 349.431 2.686 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502202 479534119 /nfs/dbraw/zinc/53/41/19/479534119.db2.gz OOIRZGHVAFAALA-BBRMVZONSA-N 2 2 349.431 2.686 10 5 EFBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597236528 479636120 /nfs/dbraw/zinc/63/61/20/479636120.db2.gz ROFCLXBIJDYPDZ-LSSBLYJVSA-N 2 2 345.443 2.529 10 5 EFBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000597236528 479636123 /nfs/dbraw/zinc/63/61/23/479636123.db2.gz ROFCLXBIJDYPDZ-LSSBLYJVSA-N 2 2 345.443 2.529 10 5 EFBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597236526 479637057 /nfs/dbraw/zinc/63/70/57/479637057.db2.gz ROFCLXBIJDYPDZ-HVEPWOEZSA-N 2 2 345.443 2.529 10 5 EFBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000597236526 479637061 /nfs/dbraw/zinc/63/70/61/479637061.db2.gz ROFCLXBIJDYPDZ-HVEPWOEZSA-N 2 2 345.443 2.529 10 5 EFBELP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597248026 479643213 /nfs/dbraw/zinc/64/32/13/479643213.db2.gz JOVJUODMGLRAFB-JZLODUJNSA-N 2 2 333.432 2.651 10 5 EFBELP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597248026 479643215 /nfs/dbraw/zinc/64/32/15/479643215.db2.gz JOVJUODMGLRAFB-JZLODUJNSA-N 2 2 333.432 2.651 10 5 EFBELP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000194502569 527351444 /nfs/dbraw/zinc/35/14/44/527351444.db2.gz PUHLAAWCKHTJET-UHFFFAOYSA-N 2 2 348.403 3.000 10 5 EFBELP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506114 1261805174 /nfs/dbraw/zinc/80/51/74/1261805174.db2.gz HHNPFSCAXGHLDL-AWEZNQCLSA-N 2 2 333.432 2.902 10 5 EFBELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001198789908 1295232225 /nfs/dbraw/zinc/23/22/25/1295232225.db2.gz APCDBTQBBDGNNA-AWEZNQCLSA-N 2 2 346.435 2.622 10 5 EFBELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001198789908 1295232237 /nfs/dbraw/zinc/23/22/37/1295232237.db2.gz APCDBTQBBDGNNA-AWEZNQCLSA-N 2 2 346.435 2.622 10 5 EFBELP CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162768402 721089472 /nfs/dbraw/zinc/08/94/72/721089472.db2.gz UAMAGQXFUTURSA-UHFFFAOYSA-N 2 2 342.237 2.931 10 5 EFBELP C[NH2+]CCOc1ccc2cc3ccc(OCC[NH2+]C)cc3[nH+]c2c1 ZINC000029411938 202186427 /nfs/dbraw/zinc/18/64/27/202186427.db2.gz UUFBNWXGRUUKLK-UHFFFAOYSA-N 3 2 325.412 2.584 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659968 250323631 /nfs/dbraw/zinc/32/36/31/250323631.db2.gz DVCKEISKEQMIOL-WBMJQRKESA-N 2 2 331.420 2.633 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659968 250323633 /nfs/dbraw/zinc/32/36/33/250323633.db2.gz DVCKEISKEQMIOL-WBMJQRKESA-N 2 2 331.420 2.633 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659968 250323638 /nfs/dbraw/zinc/32/36/38/250323638.db2.gz DVCKEISKEQMIOL-WBMJQRKESA-N 2 2 331.420 2.633 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659968 250323642 /nfs/dbraw/zinc/32/36/42/250323642.db2.gz DVCKEISKEQMIOL-WBMJQRKESA-N 2 2 331.420 2.633 10 5 EFBELP COc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000105876578 141356349 /nfs/dbraw/zinc/35/63/49/141356349.db2.gz UPILBSAKTMBHSK-UHFFFAOYSA-N 2 2 344.415 2.792 10 5 EFBELP Cc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1[N+](=O)[O-] ZINC000343644734 145260545 /nfs/dbraw/zinc/26/05/45/145260545.db2.gz WKSMGGVLJVZBEA-UHFFFAOYSA-N 2 2 326.400 2.929 10 5 EFBELP COc1cc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])cc1F ZINC000373324058 151152875 /nfs/dbraw/zinc/15/28/75/151152875.db2.gz IDUSRGSGYWZTFS-UHFFFAOYSA-N 2 2 334.351 2.845 10 5 EFBELP COc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000373324058 151152877 /nfs/dbraw/zinc/15/28/77/151152877.db2.gz IDUSRGSGYWZTFS-UHFFFAOYSA-N 2 2 334.351 2.845 10 5 EFBELP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207618 151301451 /nfs/dbraw/zinc/30/14/51/151301451.db2.gz JNAPKGYVPYQMEH-LBPRGKRZSA-N 2 2 343.387 2.525 10 5 EFBELP Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000407997929 152142167 /nfs/dbraw/zinc/14/21/67/152142167.db2.gz YQDOUQVCYRFWPK-SJPCQFCGSA-N 2 2 344.459 2.650 10 5 EFBELP Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000407997929 152142171 /nfs/dbraw/zinc/14/21/71/152142171.db2.gz YQDOUQVCYRFWPK-SJPCQFCGSA-N 2 2 344.459 2.650 10 5 EFBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826331 312054794 /nfs/dbraw/zinc/05/47/94/312054794.db2.gz FMMOPTYJCXUMDA-SUMWQHHRSA-N 2 2 342.399 2.602 10 5 EFBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483544 473290057 /nfs/dbraw/zinc/29/00/57/473290057.db2.gz JDJFGBBIKGFJCQ-SFHVURJKSA-N 2 2 340.427 2.944 10 5 EFBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483544 473290066 /nfs/dbraw/zinc/29/00/66/473290066.db2.gz JDJFGBBIKGFJCQ-SFHVURJKSA-N 2 2 340.427 2.944 10 5 EFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190483544 473290073 /nfs/dbraw/zinc/29/00/73/473290073.db2.gz JDJFGBBIKGFJCQ-SFHVURJKSA-N 2 2 340.427 2.944 10 5 EFBELP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000075718687 472188457 /nfs/dbraw/zinc/18/84/57/472188457.db2.gz BFKBLJBTCJFVLQ-DLBZAZTESA-N 2 2 346.475 2.758 10 5 EFBELP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000075718687 472188466 /nfs/dbraw/zinc/18/84/66/472188466.db2.gz BFKBLJBTCJFVLQ-DLBZAZTESA-N 2 2 346.475 2.758 10 5 EFBELP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000123316047 473126917 /nfs/dbraw/zinc/12/69/17/473126917.db2.gz ZUIFRNKWUOUPMX-UHFFFAOYSA-N 2 2 340.427 2.787 10 5 EFBELP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640915 473427687 /nfs/dbraw/zinc/42/76/87/473427687.db2.gz GWASYGKSKQPWID-OAHLLOKOSA-N 2 2 342.399 2.803 10 5 EFBELP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640915 473427695 /nfs/dbraw/zinc/42/76/95/473427695.db2.gz GWASYGKSKQPWID-OAHLLOKOSA-N 2 2 342.399 2.803 10 5 EFBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163282813 473429618 /nfs/dbraw/zinc/42/96/18/473429618.db2.gz MGBMMFWEVIRUEZ-MSOLQXFVSA-N 2 2 347.459 2.616 10 5 EFBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163282813 473429625 /nfs/dbraw/zinc/42/96/25/473429625.db2.gz MGBMMFWEVIRUEZ-MSOLQXFVSA-N 2 2 347.459 2.616 10 5 EFBELP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246340318 473833451 /nfs/dbraw/zinc/83/34/51/473833451.db2.gz USJKNQCICVDYKR-AEFFLSMTSA-N 2 2 333.432 2.579 10 5 EFBELP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246340318 473833456 /nfs/dbraw/zinc/83/34/56/473833456.db2.gz USJKNQCICVDYKR-AEFFLSMTSA-N 2 2 333.432 2.579 10 5 EFBELP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000352776298 475612537 /nfs/dbraw/zinc/61/25/37/475612537.db2.gz BPAIOZUMTDNHCQ-XJKSGUPXSA-N 2 2 330.388 2.883 10 5 EFBELP COc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000352776298 475612542 /nfs/dbraw/zinc/61/25/42/475612542.db2.gz BPAIOZUMTDNHCQ-XJKSGUPXSA-N 2 2 330.388 2.883 10 5 EFBELP O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000445816427 476773297 /nfs/dbraw/zinc/77/32/97/476773297.db2.gz WDZNRYOVGMQAQM-UHFFFAOYSA-N 2 2 349.394 2.793 10 5 EFBELP O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000445816427 476773303 /nfs/dbraw/zinc/77/33/03/476773303.db2.gz WDZNRYOVGMQAQM-UHFFFAOYSA-N 2 2 349.394 2.793 10 5 EFBELP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000423230532 476969417 /nfs/dbraw/zinc/96/94/17/476969417.db2.gz JHGLEGRGVLLJAK-KRWDZBQOSA-N 2 2 341.415 2.963 10 5 EFBELP Cc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000423233788 476971459 /nfs/dbraw/zinc/97/14/59/476971459.db2.gz OTPLLTJECXWPSF-CQSZACIVSA-N 2 2 341.415 2.881 10 5 EFBELP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533524 477055774 /nfs/dbraw/zinc/05/57/74/477055774.db2.gz HRFRRTSILRIMBP-GOSISDBHSA-N 2 2 342.399 2.777 10 5 EFBELP C[N@H+]1CC[C@@]2(CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533524 477055776 /nfs/dbraw/zinc/05/57/76/477055776.db2.gz HRFRRTSILRIMBP-GOSISDBHSA-N 2 2 342.399 2.777 10 5 EFBELP C[NH+]1CC[C@@]2(CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533524 477055780 /nfs/dbraw/zinc/05/57/80/477055780.db2.gz HRFRRTSILRIMBP-GOSISDBHSA-N 2 2 342.399 2.777 10 5 EFBELP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533524 477055790 /nfs/dbraw/zinc/05/57/90/477055790.db2.gz HRFRRTSILRIMBP-GOSISDBHSA-N 2 2 342.399 2.777 10 5 EFBELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000459656646 478026366 /nfs/dbraw/zinc/02/63/66/478026366.db2.gz GZRRTVNAYQEFLW-WMLDXEAASA-N 2 2 328.416 2.872 10 5 EFBELP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000594591251 478452560 /nfs/dbraw/zinc/45/25/60/478452560.db2.gz JFBUTGVTPZCCAO-AKAXFMLLSA-N 2 2 341.415 2.534 10 5 EFBELP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000600711330 478478385 /nfs/dbraw/zinc/47/83/85/478478385.db2.gz SAMHFEKJUKGUPP-SFHVURJKSA-N 2 2 341.411 2.782 10 5 EFBELP [NH3+]C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCCC1 ZINC000591275797 478505018 /nfs/dbraw/zinc/50/50/18/478505018.db2.gz HDPTWVFOOXDDSF-UHFFFAOYSA-N 2 2 335.404 2.507 10 5 EFBELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048356 478640041 /nfs/dbraw/zinc/64/00/41/478640041.db2.gz KMIIGWUDQQTGLJ-ILXRZTDVSA-N 2 2 335.452 2.737 10 5 EFBELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048356 478640049 /nfs/dbraw/zinc/64/00/49/478640049.db2.gz KMIIGWUDQQTGLJ-ILXRZTDVSA-N 2 2 335.452 2.737 10 5 EFBELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048361 478640465 /nfs/dbraw/zinc/64/04/65/478640465.db2.gz KMIIGWUDQQTGLJ-RBSFLKMASA-N 2 2 335.452 2.737 10 5 EFBELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048361 478640467 /nfs/dbraw/zinc/64/04/67/478640467.db2.gz KMIIGWUDQQTGLJ-RBSFLKMASA-N 2 2 335.452 2.737 10 5 EFBELP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425435 478890563 /nfs/dbraw/zinc/89/05/63/478890563.db2.gz COKDTSYRGSVRDA-DZGCQCFKSA-N 2 2 349.431 2.576 10 5 EFBELP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425435 478890569 /nfs/dbraw/zinc/89/05/69/478890569.db2.gz COKDTSYRGSVRDA-DZGCQCFKSA-N 2 2 349.431 2.576 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478612 478908668 /nfs/dbraw/zinc/90/86/68/478908668.db2.gz GBNUAWSYJGVETJ-GXTWGEPZSA-N 2 2 330.388 2.700 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478612 478908675 /nfs/dbraw/zinc/90/86/75/478908675.db2.gz GBNUAWSYJGVETJ-GXTWGEPZSA-N 2 2 330.388 2.700 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000598918736 479086674 /nfs/dbraw/zinc/08/66/74/479086674.db2.gz YGYSVZKIVNWTDH-UHFFFAOYSA-N 2 2 327.375 2.970 10 5 EFBELP C[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000599047309 479137938 /nfs/dbraw/zinc/13/79/38/479137938.db2.gz SXDZVRMOWZAXHM-ZDUSSCGKSA-N 2 2 330.388 2.523 10 5 EFBELP CC[NH+](CC)CC[C@@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599071173 479148778 /nfs/dbraw/zinc/14/87/78/479148778.db2.gz PITFIFJFFWOIMU-AWEZNQCLSA-N 2 2 332.404 2.648 10 5 EFBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000599074470 479150821 /nfs/dbraw/zinc/15/08/21/479150821.db2.gz RQWSEMYLJQOAHM-GVDBMIGSSA-N 2 2 347.463 2.882 10 5 EFBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000599074470 479150824 /nfs/dbraw/zinc/15/08/24/479150824.db2.gz RQWSEMYLJQOAHM-GVDBMIGSSA-N 2 2 347.463 2.882 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)nc2c1 ZINC000610583331 480343590 /nfs/dbraw/zinc/34/35/90/480343590.db2.gz AQAPNCCIBNHGKM-UHFFFAOYSA-N 2 2 327.344 2.839 10 5 EFBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515601 525460767 /nfs/dbraw/zinc/46/07/67/525460767.db2.gz WWGIJSUNFXBINU-CQSZACIVSA-N 2 2 342.399 2.932 10 5 EFBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515601 525460772 /nfs/dbraw/zinc/46/07/72/525460772.db2.gz WWGIJSUNFXBINU-CQSZACIVSA-N 2 2 342.399 2.932 10 5 EFBELP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001198789909 1295231150 /nfs/dbraw/zinc/23/11/50/1295231150.db2.gz APCDBTQBBDGNNA-CQSZACIVSA-N 2 2 346.435 2.622 10 5 EFBELP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001198789909 1295231158 /nfs/dbraw/zinc/23/11/58/1295231158.db2.gz APCDBTQBBDGNNA-CQSZACIVSA-N 2 2 346.435 2.622 10 5 EFBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927110079 1296992231 /nfs/dbraw/zinc/99/22/31/1296992231.db2.gz PUIREGQUYUTSLB-QAPCUYQASA-N 2 2 347.459 2.759 10 5 EFBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927110079 1296992244 /nfs/dbraw/zinc/99/22/44/1296992244.db2.gz PUIREGQUYUTSLB-QAPCUYQASA-N 2 2 347.459 2.759 10 5 EFBELP CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000870570730 1305405302 /nfs/dbraw/zinc/40/53/02/1305405302.db2.gz RJZSHHJNKYASPD-INIZCTEOSA-N 2 2 346.387 2.524 10 5 EFBELP Cn1c[nH+]cc1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001460961469 1396275030 /nfs/dbraw/zinc/27/50/30/1396275030.db2.gz FQAZXQKPNSNOJS-UHFFFAOYSA-N 2 2 341.371 2.849 10 5 EFBELP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000162209679 716777848 /nfs/dbraw/zinc/77/78/48/716777848.db2.gz AOTNWHSPRHCVDL-GWCFXTLKSA-N 2 2 342.237 2.930 10 5 EFBELP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000162209679 716777852 /nfs/dbraw/zinc/77/78/52/716777852.db2.gz AOTNWHSPRHCVDL-GWCFXTLKSA-N 2 2 342.237 2.930 10 5 EFBELP COc1cc(C[NH2+]CC2([NH3+])CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000414857787 244375166 /nfs/dbraw/zinc/37/51/66/244375166.db2.gz GBUKHLVMJXHTPZ-UHFFFAOYSA-N 2 2 337.420 2.753 10 5 EFBELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147171 218198149 /nfs/dbraw/zinc/19/81/49/218198149.db2.gz LLXIDVWDZOVVTE-GOSISDBHSA-N 2 2 346.475 2.505 10 5 EFBELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147171 218198152 /nfs/dbraw/zinc/19/81/52/218198152.db2.gz LLXIDVWDZOVVTE-GOSISDBHSA-N 2 2 346.475 2.505 10 5 EFBELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644319 218239372 /nfs/dbraw/zinc/23/93/72/218239372.db2.gz CAZDXQAKJXRZKC-OCCSQVGLSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644319 218239374 /nfs/dbraw/zinc/23/93/74/218239374.db2.gz CAZDXQAKJXRZKC-OCCSQVGLSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644319 218239376 /nfs/dbraw/zinc/23/93/76/218239376.db2.gz CAZDXQAKJXRZKC-OCCSQVGLSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644319 218239377 /nfs/dbraw/zinc/23/93/77/218239377.db2.gz CAZDXQAKJXRZKC-OCCSQVGLSA-N 2 2 337.420 2.527 10 5 EFBELP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368102144 150036331 /nfs/dbraw/zinc/03/63/31/150036331.db2.gz MOTOWCXAODOPED-HOCLYGCPSA-N 2 2 326.400 2.786 10 5 EFBELP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368102144 150036335 /nfs/dbraw/zinc/03/63/35/150036335.db2.gz MOTOWCXAODOPED-HOCLYGCPSA-N 2 2 326.400 2.786 10 5 EFBELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000368102911 150038837 /nfs/dbraw/zinc/03/88/37/150038837.db2.gz QRDHMUAJKIXCGT-WCQYABFASA-N 2 2 330.388 2.925 10 5 EFBELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000368102911 150038841 /nfs/dbraw/zinc/03/88/41/150038841.db2.gz QRDHMUAJKIXCGT-WCQYABFASA-N 2 2 330.388 2.925 10 5 EFBELP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271313 281317984 /nfs/dbraw/zinc/31/79/84/281317984.db2.gz TVNDAAMODYHXEC-MAUKXSAKSA-N 2 2 347.459 2.754 10 5 EFBELP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271313 281317986 /nfs/dbraw/zinc/31/79/86/281317986.db2.gz TVNDAAMODYHXEC-MAUKXSAKSA-N 2 2 347.459 2.754 10 5 EFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755764 473117950 /nfs/dbraw/zinc/11/79/50/473117950.db2.gz RHWKAYTUDLTUOA-APWZRJJASA-N 2 2 346.475 2.758 10 5 EFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755764 473117957 /nfs/dbraw/zinc/11/79/57/473117957.db2.gz RHWKAYTUDLTUOA-APWZRJJASA-N 2 2 346.475 2.758 10 5 EFBELP Cc1c([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cccc1[N+](=O)[O-] ZINC000423237443 476972637 /nfs/dbraw/zinc/97/26/37/476972637.db2.gz TXIISTCYPMWHDD-AWEZNQCLSA-N 2 2 341.415 2.881 10 5 EFBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423237001 476972880 /nfs/dbraw/zinc/97/28/80/476972880.db2.gz HTRIOZXQOHPGCU-DYVFJYSZSA-N 2 2 342.399 2.602 10 5 EFBELP COc1cc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000371334837 477251017 /nfs/dbraw/zinc/25/10/17/477251017.db2.gz HLHQAKWUCBOFCQ-UHFFFAOYSA-N 2 2 346.387 2.715 10 5 EFBELP COc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000371334837 477251024 /nfs/dbraw/zinc/25/10/24/477251024.db2.gz HLHQAKWUCBOFCQ-UHFFFAOYSA-N 2 2 346.387 2.715 10 5 EFBELP Cc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420234165 477644461 /nfs/dbraw/zinc/64/44/61/477644461.db2.gz GPEWIUIDIBEORM-GASCZTMLSA-N 2 2 339.399 2.691 10 5 EFBELP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368102145 477784781 /nfs/dbraw/zinc/78/47/81/477784781.db2.gz MOTOWCXAODOPED-ZBFHGGJFSA-N 2 2 326.400 2.786 10 5 EFBELP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368102145 477784788 /nfs/dbraw/zinc/78/47/88/477784788.db2.gz MOTOWCXAODOPED-ZBFHGGJFSA-N 2 2 326.400 2.786 10 5 EFBELP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000600711329 478478547 /nfs/dbraw/zinc/47/85/47/478478547.db2.gz SAMHFEKJUKGUPP-GOSISDBHSA-N 2 2 341.411 2.782 10 5 EFBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000595054240 478642883 /nfs/dbraw/zinc/64/28/83/478642883.db2.gz OIGKJHGUHUBZJU-BBRMVZONSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000595054240 478642890 /nfs/dbraw/zinc/64/28/90/478642890.db2.gz OIGKJHGUHUBZJU-BBRMVZONSA-N 2 2 348.447 2.774 10 5 EFBELP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000595512555 478829055 /nfs/dbraw/zinc/82/90/55/478829055.db2.gz TUSWJMBFLYDAND-HNNXBMFYSA-N 2 2 335.448 2.728 10 5 EFBELP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425444 478890505 /nfs/dbraw/zinc/89/05/05/478890505.db2.gz COKDTSYRGSVRDA-ZFWWWQNUSA-N 2 2 349.431 2.576 10 5 EFBELP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425444 478890509 /nfs/dbraw/zinc/89/05/09/478890509.db2.gz COKDTSYRGSVRDA-ZFWWWQNUSA-N 2 2 349.431 2.576 10 5 EFBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592425511 478892589 /nfs/dbraw/zinc/89/25/89/478892589.db2.gz HMIDEHFMJHXRMR-RHSMWYFYSA-N 2 2 333.432 2.958 10 5 EFBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592425511 478892594 /nfs/dbraw/zinc/89/25/94/478892594.db2.gz HMIDEHFMJHXRMR-RHSMWYFYSA-N 2 2 333.432 2.958 10 5 EFBELP CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599015352 479125604 /nfs/dbraw/zinc/12/56/04/479125604.db2.gz LEVFAMZVOJGACG-HNNXBMFYSA-N 2 2 344.415 2.912 10 5 EFBELP CC(C)C[N@H+]1CCO[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599015352 479125611 /nfs/dbraw/zinc/12/56/11/479125611.db2.gz LEVFAMZVOJGACG-HNNXBMFYSA-N 2 2 344.415 2.912 10 5 EFBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000599074467 479150317 /nfs/dbraw/zinc/15/03/17/479150317.db2.gz RQWSEMYLJQOAHM-BRWVUGGUSA-N 2 2 347.463 2.882 10 5 EFBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000599074467 479150323 /nfs/dbraw/zinc/15/03/23/479150323.db2.gz RQWSEMYLJQOAHM-BRWVUGGUSA-N 2 2 347.463 2.882 10 5 EFBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000599074474 479151472 /nfs/dbraw/zinc/15/14/72/479151472.db2.gz RQWSEMYLJQOAHM-YESZJQIVSA-N 2 2 347.463 2.882 10 5 EFBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000599074474 479151478 /nfs/dbraw/zinc/15/14/78/479151478.db2.gz RQWSEMYLJQOAHM-YESZJQIVSA-N 2 2 347.463 2.882 10 5 EFBELP C[NH+](C)C1CC[NH+](CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593468195 479355857 /nfs/dbraw/zinc/35/58/57/479355857.db2.gz OBVHFEWDKRSKDC-UHFFFAOYSA-N 2 2 343.431 2.581 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502345 479533701 /nfs/dbraw/zinc/53/37/01/479533701.db2.gz VCBDVLPJZFGJDZ-BBRMVZONSA-N 2 2 349.431 2.544 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502345 479533708 /nfs/dbraw/zinc/53/37/08/479533708.db2.gz VCBDVLPJZFGJDZ-BBRMVZONSA-N 2 2 349.431 2.544 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502345 479533713 /nfs/dbraw/zinc/53/37/13/479533713.db2.gz VCBDVLPJZFGJDZ-BBRMVZONSA-N 2 2 349.431 2.544 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502345 479533720 /nfs/dbraw/zinc/53/37/20/479533720.db2.gz VCBDVLPJZFGJDZ-BBRMVZONSA-N 2 2 349.431 2.544 10 5 EFBELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502824 479536004 /nfs/dbraw/zinc/53/60/04/479536004.db2.gz BIGZXCFJUCEGMN-AWEZNQCLSA-N 2 2 349.431 2.545 10 5 EFBELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502824 479536008 /nfs/dbraw/zinc/53/60/08/479536008.db2.gz BIGZXCFJUCEGMN-AWEZNQCLSA-N 2 2 349.431 2.545 10 5 EFBELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502824 479536015 /nfs/dbraw/zinc/53/60/15/479536015.db2.gz BIGZXCFJUCEGMN-AWEZNQCLSA-N 2 2 349.431 2.545 10 5 EFBELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502824 479536019 /nfs/dbraw/zinc/53/60/19/479536019.db2.gz BIGZXCFJUCEGMN-AWEZNQCLSA-N 2 2 349.431 2.545 10 5 EFBELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230088 533790534 /nfs/dbraw/zinc/79/05/34/533790534.db2.gz NESYONRCNIJBOP-WCQYABFASA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230088 533790545 /nfs/dbraw/zinc/79/05/45/533790545.db2.gz NESYONRCNIJBOP-WCQYABFASA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230088 533790553 /nfs/dbraw/zinc/79/05/53/533790553.db2.gz NESYONRCNIJBOP-WCQYABFASA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230088 533790561 /nfs/dbraw/zinc/79/05/61/533790561.db2.gz NESYONRCNIJBOP-WCQYABFASA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000184231053 533804624 /nfs/dbraw/zinc/80/46/24/533804624.db2.gz ZPLOYEODWAXQAR-CQSZACIVSA-N 2 2 348.378 2.912 10 5 EFBELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000184231053 533804635 /nfs/dbraw/zinc/80/46/35/533804635.db2.gz ZPLOYEODWAXQAR-CQSZACIVSA-N 2 2 348.378 2.912 10 5 EFBELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000184231036 533807194 /nfs/dbraw/zinc/80/71/94/533807194.db2.gz ZPLOYEODWAXQAR-AWEZNQCLSA-N 2 2 348.378 2.912 10 5 EFBELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000184231036 533807201 /nfs/dbraw/zinc/80/72/01/533807201.db2.gz ZPLOYEODWAXQAR-AWEZNQCLSA-N 2 2 348.378 2.912 10 5 EFBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927110077 1296992997 /nfs/dbraw/zinc/99/29/97/1296992997.db2.gz PUIREGQUYUTSLB-CRAIPNDOSA-N 2 2 347.459 2.759 10 5 EFBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927110077 1296992999 /nfs/dbraw/zinc/99/29/99/1296992999.db2.gz PUIREGQUYUTSLB-CRAIPNDOSA-N 2 2 347.459 2.759 10 5 EFBELP CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000870566473 1305402217 /nfs/dbraw/zinc/40/22/17/1305402217.db2.gz DVSUBMUPRPCKJA-INIZCTEOSA-N 2 2 346.387 2.524 10 5 EFBELP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000162209551 716778263 /nfs/dbraw/zinc/77/82/63/716778263.db2.gz AOTNWHSPRHCVDL-MFKMUULPSA-N 2 2 342.237 2.930 10 5 EFBELP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000162209551 716778268 /nfs/dbraw/zinc/77/82/68/716778268.db2.gz AOTNWHSPRHCVDL-MFKMUULPSA-N 2 2 342.237 2.930 10 5 EFBELP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414943850 244397981 /nfs/dbraw/zinc/39/79/81/244397981.db2.gz OLEWIGDODIRBGR-NHYWBVRUSA-N 2 2 332.429 2.806 10 5 EFBELP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419285797 245368228 /nfs/dbraw/zinc/36/82/28/245368228.db2.gz DREJKECPBKKEQS-ZDUSSCGKSA-N 2 2 346.431 2.528 10 5 EFBELP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875578 141356441 /nfs/dbraw/zinc/35/64/41/141356441.db2.gz MTZWEWLSOVHIEM-UHFFFAOYSA-N 2 2 344.415 2.792 10 5 EFBELP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640514 227190154 /nfs/dbraw/zinc/19/01/54/227190154.db2.gz YYLYXTSDRGACPK-OAHLLOKOSA-N 2 2 342.399 2.803 10 5 EFBELP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640514 227190158 /nfs/dbraw/zinc/19/01/58/227190158.db2.gz YYLYXTSDRGACPK-OAHLLOKOSA-N 2 2 342.399 2.803 10 5 EFBELP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171642043 227192795 /nfs/dbraw/zinc/19/27/95/227192795.db2.gz IIHNSJMQFVANNA-OAHLLOKOSA-N 2 2 342.399 2.803 10 5 EFBELP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171642043 227192800 /nfs/dbraw/zinc/19/28/00/227192800.db2.gz IIHNSJMQFVANNA-OAHLLOKOSA-N 2 2 342.399 2.803 10 5 EFBELP CC[NH+](CC)[C@H](C)CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000279710383 273244621 /nfs/dbraw/zinc/24/46/21/273244621.db2.gz SLDKPPRMHBRDHD-PBHICJAKSA-N 2 2 345.447 2.738 10 5 EFBELP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271314 281358084 /nfs/dbraw/zinc/35/80/84/281358084.db2.gz TVNDAAMODYHXEC-QAPCUYQASA-N 2 2 347.459 2.754 10 5 EFBELP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271314 281358086 /nfs/dbraw/zinc/35/80/86/281358086.db2.gz TVNDAAMODYHXEC-QAPCUYQASA-N 2 2 347.459 2.754 10 5 EFBELP C[NH+](C)C1CC[NH+](CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000292100521 294579184 /nfs/dbraw/zinc/57/91/84/294579184.db2.gz ZFXGQAWCIRBPIL-UHFFFAOYSA-N 2 2 343.431 2.581 10 5 EFBELP C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]1(C)C[NH3+] ZINC000415058374 312085605 /nfs/dbraw/zinc/08/56/05/312085605.db2.gz VRZRBXAZFXQNPK-MEBBXXQBSA-N 2 2 329.347 2.613 10 5 EFBELP C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]1(C)C[NH3+] ZINC000415058374 312085606 /nfs/dbraw/zinc/08/56/06/312085606.db2.gz VRZRBXAZFXQNPK-MEBBXXQBSA-N 2 2 329.347 2.613 10 5 EFBELP O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000547853295 318048804 /nfs/dbraw/zinc/04/88/04/318048804.db2.gz RQPRMLAVBUXJMI-UHFFFAOYSA-N 2 2 343.431 2.779 10 5 EFBELP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057847133 472484749 /nfs/dbraw/zinc/48/47/49/472484749.db2.gz WDCFBSWTVTXPTM-UHFFFAOYSA-N 2 2 348.447 2.587 10 5 EFBELP Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000127761808 473648343 /nfs/dbraw/zinc/64/83/43/473648343.db2.gz XBMDDKCEXULVRL-UHFFFAOYSA-N 2 2 347.463 2.660 10 5 EFBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248742850 474423023 /nfs/dbraw/zinc/42/30/23/474423023.db2.gz AKROKAOSKGUWTJ-AEFFLSMTSA-N 2 2 333.432 2.673 10 5 EFBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248742850 474423029 /nfs/dbraw/zinc/42/30/29/474423029.db2.gz AKROKAOSKGUWTJ-AEFFLSMTSA-N 2 2 333.432 2.673 10 5 EFBELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000361523356 475518173 /nfs/dbraw/zinc/51/81/73/475518173.db2.gz FAZBNGRSWCENHA-UHFFFAOYSA-N 2 2 342.399 2.629 10 5 EFBELP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000352776296 475612179 /nfs/dbraw/zinc/61/21/79/475612179.db2.gz BPAIOZUMTDNHCQ-CJNGLKHVSA-N 2 2 330.388 2.883 10 5 EFBELP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000352776296 475612185 /nfs/dbraw/zinc/61/21/85/475612185.db2.gz BPAIOZUMTDNHCQ-CJNGLKHVSA-N 2 2 330.388 2.883 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707211 475826156 /nfs/dbraw/zinc/82/61/56/475826156.db2.gz RJEQRHKYOCFJND-LSDHHAIUSA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707211 475826163 /nfs/dbraw/zinc/82/61/63/475826163.db2.gz RJEQRHKYOCFJND-LSDHHAIUSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707211 475826169 /nfs/dbraw/zinc/82/61/69/475826169.db2.gz RJEQRHKYOCFJND-LSDHHAIUSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707211 475826179 /nfs/dbraw/zinc/82/61/79/475826179.db2.gz RJEQRHKYOCFJND-LSDHHAIUSA-N 2 2 348.447 2.504 10 5 EFBELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548380 477010412 /nfs/dbraw/zinc/01/04/12/477010412.db2.gz HGHLSTOKPVXFAU-PMPSAXMXSA-N 2 2 335.452 2.739 10 5 EFBELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548380 477010415 /nfs/dbraw/zinc/01/04/15/477010415.db2.gz HGHLSTOKPVXFAU-PMPSAXMXSA-N 2 2 335.452 2.739 10 5 EFBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592425513 478891948 /nfs/dbraw/zinc/89/19/48/478891948.db2.gz HMIDEHFMJHXRMR-YOEHRIQHSA-N 2 2 333.432 2.958 10 5 EFBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592425513 478891954 /nfs/dbraw/zinc/89/19/54/478891954.db2.gz HMIDEHFMJHXRMR-YOEHRIQHSA-N 2 2 333.432 2.958 10 5 EFBELP COc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000598918451 479086238 /nfs/dbraw/zinc/08/62/38/479086238.db2.gz DQMJQWWQHNCOFY-UHFFFAOYSA-N 2 2 343.374 2.670 10 5 EFBELP C[NH+](C)[C@]1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCSC1 ZINC000599052948 479139531 /nfs/dbraw/zinc/13/95/31/479139531.db2.gz CCOUXQIHYOEQKZ-INIZCTEOSA-N 2 2 332.429 2.992 10 5 EFBELP CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[NH2+]1 ZINC000599182136 479197817 /nfs/dbraw/zinc/19/78/17/479197817.db2.gz ZGUGGHZCWILVHN-DZGCQCFKSA-N 2 2 341.415 2.937 10 5 EFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585717003 479315113 /nfs/dbraw/zinc/31/51/13/479315113.db2.gz SQMMAJGOJAUPRW-NVXWUHKLSA-N 2 2 333.432 2.843 10 5 EFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585717003 479315116 /nfs/dbraw/zinc/31/51/16/479315116.db2.gz SQMMAJGOJAUPRW-NVXWUHKLSA-N 2 2 333.432 2.843 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273853 479333115 /nfs/dbraw/zinc/33/31/15/479333115.db2.gz PRMZZFGRDIJYMV-DZGCQCFKSA-N 2 2 349.431 2.528 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273853 479333121 /nfs/dbraw/zinc/33/31/21/479333121.db2.gz PRMZZFGRDIJYMV-DZGCQCFKSA-N 2 2 349.431 2.528 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273853 479333126 /nfs/dbraw/zinc/33/31/26/479333126.db2.gz PRMZZFGRDIJYMV-DZGCQCFKSA-N 2 2 349.431 2.528 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273853 479333132 /nfs/dbraw/zinc/33/31/32/479333132.db2.gz PRMZZFGRDIJYMV-DZGCQCFKSA-N 2 2 349.431 2.528 10 5 EFBELP C[NH+](C)CCC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000596567320 479342665 /nfs/dbraw/zinc/34/26/65/479342665.db2.gz SFSNNTVTSONCRO-INIZCTEOSA-N 2 2 344.415 2.690 10 5 EFBELP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599623803 479356948 /nfs/dbraw/zinc/35/69/48/479356948.db2.gz XNEHKAKLLAVMNH-OAHLLOKOSA-N 2 2 333.432 2.843 10 5 EFBELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000599668108 479379772 /nfs/dbraw/zinc/37/97/72/479379772.db2.gz CRBMPOGPOZLKMK-UHFFFAOYSA-N 2 2 347.459 2.980 10 5 EFBELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599669499 479381312 /nfs/dbraw/zinc/38/13/12/479381312.db2.gz NEXINSNUCZUJBQ-UHFFFAOYSA-N 2 2 333.432 2.672 10 5 EFBELP CCC1([NH+]2CCOCC2)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599670120 479381448 /nfs/dbraw/zinc/38/14/48/479381448.db2.gz SQRFIEAKZGOWNV-UHFFFAOYSA-N 2 2 347.459 2.714 10 5 EFBELP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000610420513 480301297 /nfs/dbraw/zinc/30/12/97/480301297.db2.gz DMOGHUWAIDIKGW-GOEBONIOSA-N 2 2 333.432 2.889 10 5 EFBELP Cn1c[nH+]cc1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001198769126 1295242150 /nfs/dbraw/zinc/24/21/50/1295242150.db2.gz KCWINMWIBOVBSE-UHFFFAOYSA-N 2 2 344.415 2.977 10 5 EFBELP Cn1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC001473897582 1397347130 /nfs/dbraw/zinc/34/71/30/1397347130.db2.gz LGOVWAFPNOFDDS-CYBMUJFWSA-N 2 2 346.435 2.659 10 5 EFBELP Cn1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC001473897582 1397347137 /nfs/dbraw/zinc/34/71/37/1397347137.db2.gz LGOVWAFPNOFDDS-CYBMUJFWSA-N 2 2 346.435 2.659 10 5 EFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176075797 715042207 /nfs/dbraw/zinc/04/22/07/715042207.db2.gz ADROXIBNIQFMDJ-MRXNPFEDSA-N 2 2 340.387 2.572 10 5 EFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176075797 715042210 /nfs/dbraw/zinc/04/22/10/715042210.db2.gz ADROXIBNIQFMDJ-MRXNPFEDSA-N 2 2 340.387 2.572 10 5 EFBELP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001620678672 1091130199 /nfs/dbraw/zinc/13/01/99/1091130199.db2.gz FSLHKIYVGFWZCS-UHFFFAOYSA-N 2 2 330.388 2.717 10 5 EFBELP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422564651 246386255 /nfs/dbraw/zinc/38/62/55/246386255.db2.gz WMWPNNCUEYXCSH-UHFFFAOYSA-N 2 2 327.331 2.524 10 5 EFBELP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265456299 247519087 /nfs/dbraw/zinc/51/90/87/247519087.db2.gz DIYAXKNQCBOPNK-LBPRGKRZSA-N 2 2 343.387 2.525 10 5 EFBELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644320 218238657 /nfs/dbraw/zinc/23/86/57/218238657.db2.gz CAZDXQAKJXRZKC-JSGCOSHPSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644320 218238659 /nfs/dbraw/zinc/23/86/59/218238659.db2.gz CAZDXQAKJXRZKC-JSGCOSHPSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644320 218238662 /nfs/dbraw/zinc/23/86/62/218238662.db2.gz CAZDXQAKJXRZKC-JSGCOSHPSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644320 218238664 /nfs/dbraw/zinc/23/86/64/218238664.db2.gz CAZDXQAKJXRZKC-JSGCOSHPSA-N 2 2 337.420 2.527 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659967 250323314 /nfs/dbraw/zinc/32/33/14/250323314.db2.gz DVCKEISKEQMIOL-MLGOLLRUSA-N 2 2 331.420 2.633 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659967 250323318 /nfs/dbraw/zinc/32/33/18/250323318.db2.gz DVCKEISKEQMIOL-MLGOLLRUSA-N 2 2 331.420 2.633 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659967 250323322 /nfs/dbraw/zinc/32/33/22/250323322.db2.gz DVCKEISKEQMIOL-MLGOLLRUSA-N 2 2 331.420 2.633 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659967 250323327 /nfs/dbraw/zinc/32/33/27/250323327.db2.gz DVCKEISKEQMIOL-MLGOLLRUSA-N 2 2 331.420 2.633 10 5 EFBELP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640509 227189317 /nfs/dbraw/zinc/18/93/17/227189317.db2.gz YYLYXTSDRGACPK-HNNXBMFYSA-N 2 2 342.399 2.803 10 5 EFBELP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640509 227189320 /nfs/dbraw/zinc/18/93/20/227189320.db2.gz YYLYXTSDRGACPK-HNNXBMFYSA-N 2 2 342.399 2.803 10 5 EFBELP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641885 227193995 /nfs/dbraw/zinc/19/39/95/227193995.db2.gz KJLGQDLYGNEXPC-MRXNPFEDSA-N 2 2 326.400 2.966 10 5 EFBELP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641885 227194000 /nfs/dbraw/zinc/19/40/00/227194000.db2.gz KJLGQDLYGNEXPC-MRXNPFEDSA-N 2 2 326.400 2.966 10 5 EFBELP CC[NH+](CC)[C@H](C)CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000279710385 273244625 /nfs/dbraw/zinc/24/46/25/273244625.db2.gz SLDKPPRMHBRDHD-RHSMWYFYSA-N 2 2 345.447 2.738 10 5 EFBELP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414775601 312052213 /nfs/dbraw/zinc/05/22/13/312052213.db2.gz VZHSKEZBGRPYFS-NHYWBVRUSA-N 2 2 331.372 2.785 10 5 EFBELP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414775601 312052217 /nfs/dbraw/zinc/05/22/17/312052217.db2.gz VZHSKEZBGRPYFS-NHYWBVRUSA-N 2 2 331.372 2.785 10 5 EFBELP [NH3+][C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000414842991 312057741 /nfs/dbraw/zinc/05/77/41/312057741.db2.gz ZZHKXFDLYGUYSQ-AWEZNQCLSA-N 2 2 337.326 2.986 10 5 EFBELP COc1ccc(-c2ccc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414930754 312065826 /nfs/dbraw/zinc/06/58/26/312065826.db2.gz PEYXJLAVNVXJJE-LRDDRELGSA-N 2 2 345.399 2.951 10 5 EFBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483592 473290890 /nfs/dbraw/zinc/29/08/90/473290890.db2.gz XXNPJIDVIBFOFB-SFHVURJKSA-N 2 2 340.427 2.944 10 5 EFBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483592 473290899 /nfs/dbraw/zinc/29/08/99/473290899.db2.gz XXNPJIDVIBFOFB-SFHVURJKSA-N 2 2 340.427 2.944 10 5 EFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483592 473290904 /nfs/dbraw/zinc/29/09/04/473290904.db2.gz XXNPJIDVIBFOFB-SFHVURJKSA-N 2 2 340.427 2.944 10 5 EFBELP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151300428 473440087 /nfs/dbraw/zinc/44/00/87/473440087.db2.gz YPHNVVDQEQZIOB-QZTJIDSGSA-N 2 2 335.448 2.872 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779412 474096245 /nfs/dbraw/zinc/09/62/45/474096245.db2.gz QNEKLPRETOXPBT-RHSMWYFYSA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779412 474096250 /nfs/dbraw/zinc/09/62/50/474096250.db2.gz QNEKLPRETOXPBT-RHSMWYFYSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779412 474096255 /nfs/dbraw/zinc/09/62/55/474096255.db2.gz QNEKLPRETOXPBT-RHSMWYFYSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000174779412 474096260 /nfs/dbraw/zinc/09/62/60/474096260.db2.gz QNEKLPRETOXPBT-RHSMWYFYSA-N 2 2 348.447 2.504 10 5 EFBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265456298 474221778 /nfs/dbraw/zinc/22/17/78/474221778.db2.gz DIYAXKNQCBOPNK-GFCCVEGCSA-N 2 2 343.387 2.525 10 5 EFBELP O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)nc2c1 ZINC000361271431 475317398 /nfs/dbraw/zinc/31/73/98/475317398.db2.gz GNKNFJCPMYCPRU-UHFFFAOYSA-N 2 2 326.360 2.574 10 5 EFBELP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000352545648 475398878 /nfs/dbraw/zinc/39/88/78/475398878.db2.gz KXNTUDWWCKJAJH-INIZCTEOSA-N 2 2 333.432 2.911 10 5 EFBELP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000352545648 475398883 /nfs/dbraw/zinc/39/88/83/475398883.db2.gz KXNTUDWWCKJAJH-INIZCTEOSA-N 2 2 333.432 2.911 10 5 EFBELP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000370730649 476956190 /nfs/dbraw/zinc/95/61/90/476956190.db2.gz PSHKWWCQQBGWBO-JTQLQIEISA-N 2 2 338.314 2.566 10 5 EFBELP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000370730649 476956195 /nfs/dbraw/zinc/95/61/95/476956195.db2.gz PSHKWWCQQBGWBO-JTQLQIEISA-N 2 2 338.314 2.566 10 5 EFBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423237002 476971914 /nfs/dbraw/zinc/97/19/14/476971914.db2.gz HTRIOZXQOHPGCU-GUYCJALGSA-N 2 2 342.399 2.602 10 5 EFBELP CC[NH+](CC)CC[C@H](CO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413276024 477603928 /nfs/dbraw/zinc/60/39/28/477603928.db2.gz VTUMMSDQLZGDDR-CQSZACIVSA-N 2 2 332.404 2.648 10 5 EFBELP Cc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420176668 477630733 /nfs/dbraw/zinc/63/07/33/477630733.db2.gz AHOFGZIDARYZJV-UHFFFAOYSA-N 2 2 327.388 2.535 10 5 EFBELP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3c[nH+]c4n3CCC4)c2c1 ZINC000594954698 478603403 /nfs/dbraw/zinc/60/34/03/478603403.db2.gz LROHYQLGFIGWER-UHFFFAOYSA-N 2 2 325.372 2.551 10 5 EFBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000595052797 478644397 /nfs/dbraw/zinc/64/43/97/478644397.db2.gz AFXTWSBMZPQTSW-XJKSGUPXSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000595052797 478644401 /nfs/dbraw/zinc/64/44/01/478644401.db2.gz AFXTWSBMZPQTSW-XJKSGUPXSA-N 2 2 348.447 2.774 10 5 EFBELP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000545865954 478964032 /nfs/dbraw/zinc/96/40/32/478964032.db2.gz PNBVWDJBTCMWLL-HNNXBMFYSA-N 2 2 346.431 2.554 10 5 EFBELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000545865954 478964039 /nfs/dbraw/zinc/96/40/39/478964039.db2.gz PNBVWDJBTCMWLL-HNNXBMFYSA-N 2 2 346.431 2.554 10 5 EFBELP CC1=CC[N@H+](CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000546573755 479035233 /nfs/dbraw/zinc/03/52/33/479035233.db2.gz ALCGMUOKBBFHDB-OAHLLOKOSA-N 2 2 346.431 2.554 10 5 EFBELP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000546573755 479035237 /nfs/dbraw/zinc/03/52/37/479035237.db2.gz ALCGMUOKBBFHDB-OAHLLOKOSA-N 2 2 346.431 2.554 10 5 EFBELP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000573402756 479058185 /nfs/dbraw/zinc/05/81/85/479058185.db2.gz OOGQJDFUXZTWRQ-JSGCOSHPSA-N 2 2 328.416 2.833 10 5 EFBELP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1C1CC1 ZINC000573402756 479058188 /nfs/dbraw/zinc/05/81/88/479058188.db2.gz OOGQJDFUXZTWRQ-JSGCOSHPSA-N 2 2 328.416 2.833 10 5 EFBELP CC[NH+](CC)CC[C@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599071174 479149284 /nfs/dbraw/zinc/14/92/84/479149284.db2.gz PITFIFJFFWOIMU-CQSZACIVSA-N 2 2 332.404 2.648 10 5 EFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585717005 479315656 /nfs/dbraw/zinc/31/56/56/479315656.db2.gz SQMMAJGOJAUPRW-WBVHZDCISA-N 2 2 333.432 2.843 10 5 EFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585717005 479315659 /nfs/dbraw/zinc/31/56/59/479315659.db2.gz SQMMAJGOJAUPRW-WBVHZDCISA-N 2 2 333.432 2.843 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502203 479533993 /nfs/dbraw/zinc/53/39/93/479533993.db2.gz OOIRZGHVAFAALA-CJNGLKHVSA-N 2 2 349.431 2.686 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502203 479533999 /nfs/dbraw/zinc/53/39/99/479533999.db2.gz OOIRZGHVAFAALA-CJNGLKHVSA-N 2 2 349.431 2.686 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502203 479534008 /nfs/dbraw/zinc/53/40/08/479534008.db2.gz OOIRZGHVAFAALA-CJNGLKHVSA-N 2 2 349.431 2.686 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502203 479534014 /nfs/dbraw/zinc/53/40/14/479534014.db2.gz OOIRZGHVAFAALA-CJNGLKHVSA-N 2 2 349.431 2.686 10 5 EFBELP COc1ccc(-c2ccc(C[N@H+](C)CC3C[NH+](C)C3)o2)c([N+](=O)[O-])c1 ZINC000597203077 479618634 /nfs/dbraw/zinc/61/86/34/479618634.db2.gz MNDKAMVCUYWNEO-UHFFFAOYSA-N 2 2 345.399 2.857 10 5 EFBELP COc1ccc(-c2ccc(C[N@@H+](C)CC3C[NH+](C)C3)o2)c([N+](=O)[O-])c1 ZINC000597203077 479618643 /nfs/dbraw/zinc/61/86/43/479618643.db2.gz MNDKAMVCUYWNEO-UHFFFAOYSA-N 2 2 345.399 2.857 10 5 EFBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515603 525458443 /nfs/dbraw/zinc/45/84/43/525458443.db2.gz WWGIJSUNFXBINU-AWEZNQCLSA-N 2 2 342.399 2.932 10 5 EFBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515603 525458453 /nfs/dbraw/zinc/45/84/53/525458453.db2.gz WWGIJSUNFXBINU-AWEZNQCLSA-N 2 2 342.399 2.932 10 5 EFBELP C[N@@H+]1C[C@]23C[NH+](CCOc4ccccc4[N+](=O)[O-])C[C@@]2(C1)CCCC3 ZINC001656573986 1102124846 /nfs/dbraw/zinc/12/48/46/1102124846.db2.gz LMPDZAAZLWJBNC-KDURUIRLSA-N 2 2 345.443 2.781 10 5 EFBELP C[N@H+]1C[C@]23C[NH+](CCOc4ccccc4[N+](=O)[O-])C[C@@]2(C1)CCCC3 ZINC001656573986 1102124856 /nfs/dbraw/zinc/12/48/56/1102124856.db2.gz LMPDZAAZLWJBNC-KDURUIRLSA-N 2 2 345.443 2.781 10 5 EFBELP C[NH+]1C[C@]23C[N@H+](CCOc4ccccc4[N+](=O)[O-])C[C@@]2(C1)CCCC3 ZINC001656573986 1102124867 /nfs/dbraw/zinc/12/48/67/1102124867.db2.gz LMPDZAAZLWJBNC-KDURUIRLSA-N 2 2 345.443 2.781 10 5 EFBELP C[NH+]1C[C@]23C[N@@H+](CCOc4ccccc4[N+](=O)[O-])C[C@@]2(C1)CCCC3 ZINC001656573986 1102124874 /nfs/dbraw/zinc/12/48/74/1102124874.db2.gz LMPDZAAZLWJBNC-KDURUIRLSA-N 2 2 345.443 2.781 10 5 EFBELP CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000368102909 150038488 /nfs/dbraw/zinc/03/84/88/150038488.db2.gz QRDHMUAJKIXCGT-AAEUAGOBSA-N 2 2 330.388 2.925 10 5 EFBELP CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000368102909 150038491 /nfs/dbraw/zinc/03/84/91/150038491.db2.gz QRDHMUAJKIXCGT-AAEUAGOBSA-N 2 2 330.388 2.925 10 5 EFBELP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000368102912 150039097 /nfs/dbraw/zinc/03/90/97/150039097.db2.gz QRDHMUAJKIXCGT-YPMHNXCESA-N 2 2 330.388 2.925 10 5 EFBELP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000368102912 150039099 /nfs/dbraw/zinc/03/90/99/150039099.db2.gz QRDHMUAJKIXCGT-YPMHNXCESA-N 2 2 330.388 2.925 10 5 EFBELP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374213796 151302521 /nfs/dbraw/zinc/30/25/21/151302521.db2.gz WCDDHKDQZVIPQR-LBPRGKRZSA-N 2 2 343.387 2.525 10 5 EFBELP COc1ccc(-c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414930756 312065843 /nfs/dbraw/zinc/06/58/43/312065843.db2.gz PEYXJLAVNVXJJE-MLGOLLRUSA-N 2 2 345.399 2.951 10 5 EFBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCCC2 ZINC000417349424 312212623 /nfs/dbraw/zinc/21/26/23/312212623.db2.gz LDGCRFVXEYVCII-HKUYNNGSSA-N 2 2 347.459 2.799 10 5 EFBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCCC2 ZINC000417349424 312212625 /nfs/dbraw/zinc/21/26/25/312212625.db2.gz LDGCRFVXEYVCII-HKUYNNGSSA-N 2 2 347.459 2.799 10 5 EFBELP COCC[NH2+]C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000578657686 320227214 /nfs/dbraw/zinc/22/72/14/320227214.db2.gz UWQGCJKCLOAOMM-UHFFFAOYSA-N 2 2 335.448 2.919 10 5 EFBELP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131741338 472689957 /nfs/dbraw/zinc/68/99/57/472689957.db2.gz AURXGXGXFOWKAE-GOSISDBHSA-N 2 2 343.383 2.912 10 5 EFBELP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131741338 472689964 /nfs/dbraw/zinc/68/99/64/472689964.db2.gz AURXGXGXFOWKAE-GOSISDBHSA-N 2 2 343.383 2.912 10 5 EFBELP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171640920 473428507 /nfs/dbraw/zinc/42/85/07/473428507.db2.gz GWASYGKSKQPWID-HNNXBMFYSA-N 2 2 342.399 2.803 10 5 EFBELP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171640920 473428513 /nfs/dbraw/zinc/42/85/13/473428513.db2.gz GWASYGKSKQPWID-HNNXBMFYSA-N 2 2 342.399 2.803 10 5 EFBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192813819 473731071 /nfs/dbraw/zinc/73/10/71/473731071.db2.gz AKROKAOSKGUWTJ-FUHWJXTLSA-N 2 2 333.432 2.673 10 5 EFBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192813819 473731079 /nfs/dbraw/zinc/73/10/79/473731079.db2.gz AKROKAOSKGUWTJ-FUHWJXTLSA-N 2 2 333.432 2.673 10 5 EFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194042789 473832622 /nfs/dbraw/zinc/83/26/22/473832622.db2.gz UGQZNWORCGBVFI-HNNXBMFYSA-N 2 2 345.359 2.673 10 5 EFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194042789 473832628 /nfs/dbraw/zinc/83/26/28/473832628.db2.gz UGQZNWORCGBVFI-HNNXBMFYSA-N 2 2 345.359 2.673 10 5 EFBELP COc1ccc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000173538279 473870009 /nfs/dbraw/zinc/87/00/09/473870009.db2.gz GURPZNKFPIMAMC-UHFFFAOYSA-N 2 2 349.431 2.542 10 5 EFBELP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609257831 480131948 /nfs/dbraw/zinc/13/19/48/480131948.db2.gz GURNBSWIJKARLX-MRXNPFEDSA-N 2 2 330.388 2.897 10 5 EFBELP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609257831 480131953 /nfs/dbraw/zinc/13/19/53/480131953.db2.gz GURNBSWIJKARLX-MRXNPFEDSA-N 2 2 330.388 2.897 10 5 EFBELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361529052 475523173 /nfs/dbraw/zinc/52/31/73/475523173.db2.gz BYTPULHRQZHTBH-CQSZACIVSA-N 2 2 342.399 2.882 10 5 EFBELP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423235113 476971016 /nfs/dbraw/zinc/97/10/16/476971016.db2.gz GHPHDLWFTLOPRL-OAGGEKHMSA-N 2 2 329.404 2.565 10 5 EFBELP [NH3+][C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423235114 476971145 /nfs/dbraw/zinc/97/11/45/476971145.db2.gz GHPHDLWFTLOPRL-OWCLPIDISA-N 2 2 329.404 2.565 10 5 EFBELP Cn1c[nH+]c(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000459671240 478033879 /nfs/dbraw/zinc/03/38/79/478033879.db2.gz WDZOQXWVQCVXGY-UHFFFAOYSA-N 2 2 343.412 2.784 10 5 EFBELP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000600754748 478504824 /nfs/dbraw/zinc/50/48/24/478504824.db2.gz HYYNXDUBZJUWPZ-HNNXBMFYSA-N 2 2 346.431 2.530 10 5 EFBELP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000600754748 478504833 /nfs/dbraw/zinc/50/48/33/478504833.db2.gz HYYNXDUBZJUWPZ-HNNXBMFYSA-N 2 2 346.431 2.530 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564656495 478780752 /nfs/dbraw/zinc/78/07/52/478780752.db2.gz JIQAYUGVSHTSTQ-GOSISDBHSA-N 2 2 333.432 2.958 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564656495 478780758 /nfs/dbraw/zinc/78/07/58/478780758.db2.gz JIQAYUGVSHTSTQ-GOSISDBHSA-N 2 2 333.432 2.958 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564656497 478780836 /nfs/dbraw/zinc/78/08/36/478780836.db2.gz JIQAYUGVSHTSTQ-SFHVURJKSA-N 2 2 333.432 2.958 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564656497 478780841 /nfs/dbraw/zinc/78/08/41/478780841.db2.gz JIQAYUGVSHTSTQ-SFHVURJKSA-N 2 2 333.432 2.958 10 5 EFBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592425512 478891605 /nfs/dbraw/zinc/89/16/05/478891605.db2.gz HMIDEHFMJHXRMR-WMLDXEAASA-N 2 2 333.432 2.958 10 5 EFBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592425512 478891610 /nfs/dbraw/zinc/89/16/10/478891610.db2.gz HMIDEHFMJHXRMR-WMLDXEAASA-N 2 2 333.432 2.958 10 5 EFBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592425510 478891929 /nfs/dbraw/zinc/89/19/29/478891929.db2.gz HMIDEHFMJHXRMR-PBHICJAKSA-N 2 2 333.432 2.958 10 5 EFBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592425510 478891935 /nfs/dbraw/zinc/89/19/35/478891935.db2.gz HMIDEHFMJHXRMR-PBHICJAKSA-N 2 2 333.432 2.958 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478614 478908810 /nfs/dbraw/zinc/90/88/10/478908810.db2.gz GBNUAWSYJGVETJ-OCCSQVGLSA-N 2 2 330.388 2.700 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478614 478908817 /nfs/dbraw/zinc/90/88/17/478908817.db2.gz GBNUAWSYJGVETJ-OCCSQVGLSA-N 2 2 330.388 2.700 10 5 EFBELP C[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000599047308 479138336 /nfs/dbraw/zinc/13/83/36/479138336.db2.gz SXDZVRMOWZAXHM-CYBMUJFWSA-N 2 2 330.388 2.523 10 5 EFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585717004 479316020 /nfs/dbraw/zinc/31/60/20/479316020.db2.gz SQMMAJGOJAUPRW-RDJZCZTQSA-N 2 2 333.432 2.843 10 5 EFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585717004 479316023 /nfs/dbraw/zinc/31/60/23/479316023.db2.gz SQMMAJGOJAUPRW-RDJZCZTQSA-N 2 2 333.432 2.843 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273856 479334676 /nfs/dbraw/zinc/33/46/76/479334676.db2.gz PRMZZFGRDIJYMV-ZFWWWQNUSA-N 2 2 349.431 2.528 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273856 479334683 /nfs/dbraw/zinc/33/46/83/479334683.db2.gz PRMZZFGRDIJYMV-ZFWWWQNUSA-N 2 2 349.431 2.528 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273856 479334691 /nfs/dbraw/zinc/33/46/91/479334691.db2.gz PRMZZFGRDIJYMV-ZFWWWQNUSA-N 2 2 349.431 2.528 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000611273856 479334695 /nfs/dbraw/zinc/33/46/95/479334695.db2.gz PRMZZFGRDIJYMV-ZFWWWQNUSA-N 2 2 349.431 2.528 10 5 EFBELP Cc1c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000599618531 479355288 /nfs/dbraw/zinc/35/52/88/479355288.db2.gz PRYJNEJJXLRDFB-UHFFFAOYSA-N 2 2 333.432 2.590 10 5 EFBELP COc1ccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000610368696 480291660 /nfs/dbraw/zinc/29/16/60/480291660.db2.gz CUNJIWSMJHWERY-AWEZNQCLSA-N 2 2 346.387 2.516 10 5 EFBELP COc1ccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000610368696 480291662 /nfs/dbraw/zinc/29/16/62/480291662.db2.gz CUNJIWSMJHWERY-AWEZNQCLSA-N 2 2 346.387 2.516 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000610581636 480342289 /nfs/dbraw/zinc/34/22/89/480342289.db2.gz FQFUIZHOPZYXFU-CYBMUJFWSA-N 2 2 327.344 2.770 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000610581636 480342293 /nfs/dbraw/zinc/34/22/93/480342293.db2.gz FQFUIZHOPZYXFU-CYBMUJFWSA-N 2 2 327.344 2.770 10 5 EFBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927110078 1296992402 /nfs/dbraw/zinc/99/24/02/1296992402.db2.gz PUIREGQUYUTSLB-MAUKXSAKSA-N 2 2 347.459 2.759 10 5 EFBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927110078 1296992411 /nfs/dbraw/zinc/99/24/11/1296992411.db2.gz PUIREGQUYUTSLB-MAUKXSAKSA-N 2 2 347.459 2.759 10 5 EFBELP Cn1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC001473897583 1397347496 /nfs/dbraw/zinc/34/74/96/1397347496.db2.gz LGOVWAFPNOFDDS-ZDUSSCGKSA-N 2 2 346.435 2.659 10 5 EFBELP Cn1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC001473897583 1397347498 /nfs/dbraw/zinc/34/74/98/1397347498.db2.gz LGOVWAFPNOFDDS-ZDUSSCGKSA-N 2 2 346.435 2.659 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183331589 235012123 /nfs/dbraw/zinc/01/21/23/235012123.db2.gz KOXJYDXPOWAOCY-IBGZPJMESA-N 2 2 346.475 2.505 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183331589 235012127 /nfs/dbraw/zinc/01/21/27/235012127.db2.gz KOXJYDXPOWAOCY-IBGZPJMESA-N 2 2 346.475 2.505 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096838 217362039 /nfs/dbraw/zinc/36/20/39/217362039.db2.gz XIYVBEZFRQNJGL-PBHICJAKSA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096838 217362041 /nfs/dbraw/zinc/36/20/41/217362041.db2.gz XIYVBEZFRQNJGL-PBHICJAKSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096838 217362042 /nfs/dbraw/zinc/36/20/42/217362042.db2.gz XIYVBEZFRQNJGL-PBHICJAKSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096838 217362044 /nfs/dbraw/zinc/36/20/44/217362044.db2.gz XIYVBEZFRQNJGL-PBHICJAKSA-N 2 2 348.447 2.504 10 5 EFBELP COc1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000342605871 145157768 /nfs/dbraw/zinc/15/77/68/145157768.db2.gz OJKLKIOAYZYEJA-UHFFFAOYSA-N 2 2 346.387 2.585 10 5 EFBELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000343634882 145258597 /nfs/dbraw/zinc/25/85/97/145258597.db2.gz FXYMICZIUUETAE-UHFFFAOYSA-N 2 2 326.400 2.929 10 5 EFBELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000355651772 147024013 /nfs/dbraw/zinc/02/40/13/147024013.db2.gz OJWVYNWIYLUXDS-UHFFFAOYSA-N 2 2 342.399 2.629 10 5 EFBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488881 473292928 /nfs/dbraw/zinc/29/29/28/473292928.db2.gz JDUHELZMFSUSRK-QGZVFWFLSA-N 2 2 340.427 2.944 10 5 EFBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488881 473292934 /nfs/dbraw/zinc/29/29/34/473292934.db2.gz JDUHELZMFSUSRK-QGZVFWFLSA-N 2 2 340.427 2.944 10 5 EFBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488881 473292949 /nfs/dbraw/zinc/29/29/49/473292949.db2.gz JDUHELZMFSUSRK-QGZVFWFLSA-N 2 2 340.427 2.944 10 5 EFBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177210859 473331389 /nfs/dbraw/zinc/33/13/89/473331389.db2.gz VMHBDPXQQLQHOE-CQSZACIVSA-N 2 2 341.371 2.906 10 5 EFBELP NC(=[NH2+])NC(=[NH2+])Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005785466 471521263 /nfs/dbraw/zinc/52/12/63/471521263.db2.gz YJLCCMGIGCFTKQ-UHFFFAOYSA-N 2 2 330.373 2.576 10 5 EFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755760 473117173 /nfs/dbraw/zinc/11/71/73/473117173.db2.gz RHWKAYTUDLTUOA-LPHOPBHVSA-N 2 2 346.475 2.758 10 5 EFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755760 473117180 /nfs/dbraw/zinc/11/71/80/473117180.db2.gz RHWKAYTUDLTUOA-LPHOPBHVSA-N 2 2 346.475 2.758 10 5 EFBELP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151300368 473439721 /nfs/dbraw/zinc/43/97/21/473439721.db2.gz YPHNVVDQEQZIOB-MSOLQXFVSA-N 2 2 335.448 2.872 10 5 EFBELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361529051 475521183 /nfs/dbraw/zinc/52/11/83/475521183.db2.gz BYTPULHRQZHTBH-AWEZNQCLSA-N 2 2 342.399 2.882 10 5 EFBELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000361532764 475525923 /nfs/dbraw/zinc/52/59/23/475525923.db2.gz YXWOMXRTAWPYHF-AWEZNQCLSA-N 2 2 342.399 2.882 10 5 EFBELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000354097773 476423344 /nfs/dbraw/zinc/42/33/44/476423344.db2.gz SMEILDZANOIGBJ-CQSZACIVSA-N 2 2 327.450 2.589 10 5 EFBELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000354097773 476423348 /nfs/dbraw/zinc/42/33/48/476423348.db2.gz SMEILDZANOIGBJ-CQSZACIVSA-N 2 2 327.450 2.589 10 5 EFBELP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000423238525 476971999 /nfs/dbraw/zinc/97/19/99/476971999.db2.gz VLAHGDMCUUEJLD-CYBMUJFWSA-N 2 2 327.388 2.573 10 5 EFBELP Cc1c([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cccc1[N+](=O)[O-] ZINC000423237444 476972048 /nfs/dbraw/zinc/97/20/48/476972048.db2.gz TXIISTCYPMWHDD-CQSZACIVSA-N 2 2 341.415 2.881 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273854 479333811 /nfs/dbraw/zinc/33/38/11/479333811.db2.gz PRMZZFGRDIJYMV-HIFRSBDPSA-N 2 2 349.431 2.528 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273854 479333813 /nfs/dbraw/zinc/33/38/13/479333813.db2.gz PRMZZFGRDIJYMV-HIFRSBDPSA-N 2 2 349.431 2.528 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273854 479333818 /nfs/dbraw/zinc/33/38/18/479333818.db2.gz PRMZZFGRDIJYMV-HIFRSBDPSA-N 2 2 349.431 2.528 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273854 479333820 /nfs/dbraw/zinc/33/38/20/479333820.db2.gz PRMZZFGRDIJYMV-HIFRSBDPSA-N 2 2 349.431 2.528 10 5 EFBELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000599670687 479382546 /nfs/dbraw/zinc/38/25/46/479382546.db2.gz YMBIMBCMMCMMPS-UHFFFAOYSA-N 2 2 333.432 2.672 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502207 479534334 /nfs/dbraw/zinc/53/43/34/479534334.db2.gz OOIRZGHVAFAALA-XJKSGUPXSA-N 2 2 349.431 2.686 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502207 479534342 /nfs/dbraw/zinc/53/43/42/479534342.db2.gz OOIRZGHVAFAALA-XJKSGUPXSA-N 2 2 349.431 2.686 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502207 479534347 /nfs/dbraw/zinc/53/43/47/479534347.db2.gz OOIRZGHVAFAALA-XJKSGUPXSA-N 2 2 349.431 2.686 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589502207 479534353 /nfs/dbraw/zinc/53/43/53/479534353.db2.gz OOIRZGHVAFAALA-XJKSGUPXSA-N 2 2 349.431 2.686 10 5 EFBELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502825 479535925 /nfs/dbraw/zinc/53/59/25/479535925.db2.gz BIGZXCFJUCEGMN-CQSZACIVSA-N 2 2 349.431 2.545 10 5 EFBELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502825 479535932 /nfs/dbraw/zinc/53/59/32/479535932.db2.gz BIGZXCFJUCEGMN-CQSZACIVSA-N 2 2 349.431 2.545 10 5 EFBELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502825 479535936 /nfs/dbraw/zinc/53/59/36/479535936.db2.gz BIGZXCFJUCEGMN-CQSZACIVSA-N 2 2 349.431 2.545 10 5 EFBELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502825 479535945 /nfs/dbraw/zinc/53/59/45/479535945.db2.gz BIGZXCFJUCEGMN-CQSZACIVSA-N 2 2 349.431 2.545 10 5 EFBELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502882 479536173 /nfs/dbraw/zinc/53/61/73/479536173.db2.gz FRZGJAZAUOILTK-AWEZNQCLSA-N 2 2 349.431 2.545 10 5 EFBELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502882 479536176 /nfs/dbraw/zinc/53/61/76/479536176.db2.gz FRZGJAZAUOILTK-AWEZNQCLSA-N 2 2 349.431 2.545 10 5 EFBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597236527 479636464 /nfs/dbraw/zinc/63/64/64/479636464.db2.gz ROFCLXBIJDYPDZ-ILCZHQDMSA-N 2 2 345.443 2.529 10 5 EFBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000597236527 479636468 /nfs/dbraw/zinc/63/64/68/479636468.db2.gz ROFCLXBIJDYPDZ-ILCZHQDMSA-N 2 2 345.443 2.529 10 5 EFBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597236525 479636972 /nfs/dbraw/zinc/63/69/72/479636972.db2.gz ROFCLXBIJDYPDZ-FERCGXDMSA-N 2 2 345.443 2.529 10 5 EFBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000597236525 479636978 /nfs/dbraw/zinc/63/69/78/479636978.db2.gz ROFCLXBIJDYPDZ-FERCGXDMSA-N 2 2 345.443 2.529 10 5 EFBELP Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000153330433 524907112 /nfs/dbraw/zinc/90/71/12/524907112.db2.gz QITYXPPQSCEWRQ-SJPCQFCGSA-N 2 2 344.459 2.650 10 5 EFBELP Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000153330433 524907130 /nfs/dbraw/zinc/90/71/30/524907130.db2.gz QITYXPPQSCEWRQ-SJPCQFCGSA-N 2 2 344.459 2.650 10 5 EFBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927110080 1296992765 /nfs/dbraw/zinc/99/27/65/1296992765.db2.gz PUIREGQUYUTSLB-YJBOKZPZSA-N 2 2 347.459 2.759 10 5 EFBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927110080 1296992775 /nfs/dbraw/zinc/99/27/75/1296992775.db2.gz PUIREGQUYUTSLB-YJBOKZPZSA-N 2 2 347.459 2.759 10 5 EFBELP CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000870566474 1305402600 /nfs/dbraw/zinc/40/26/00/1305402600.db2.gz DVSUBMUPRPCKJA-MRXNPFEDSA-N 2 2 346.387 2.524 10 5 EFBELP COc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1[N+](=O)[O-] ZINC001560232863 1415269280 /nfs/dbraw/zinc/26/92/80/1415269280.db2.gz JYETWIVUMWJACE-UHFFFAOYSA-N 2 2 330.388 2.717 10 5 EFBELP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000162209440 716777886 /nfs/dbraw/zinc/77/78/86/716777886.db2.gz AOTNWHSPRHCVDL-GXFFZTMASA-N 2 2 342.237 2.930 10 5 EFBELP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000162209440 716777889 /nfs/dbraw/zinc/77/78/89/716777889.db2.gz AOTNWHSPRHCVDL-GXFFZTMASA-N 2 2 342.237 2.930 10 5 EFBELP Cn1c[nH+]cc1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001660672328 1102922411 /nfs/dbraw/zinc/92/24/11/1102922411.db2.gz REGNBAAMSIDPML-UHFFFAOYSA-N 2 2 330.388 2.587 10 5 EFBELP CCO[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000926960774 1108295146 /nfs/dbraw/zinc/29/51/46/1108295146.db2.gz NEAROXUMPNVPBC-YOEHRIQHSA-N 2 2 335.448 2.874 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659965 250323921 /nfs/dbraw/zinc/32/39/21/250323921.db2.gz DVCKEISKEQMIOL-BLLLJJGKSA-N 2 2 331.420 2.633 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659965 250323923 /nfs/dbraw/zinc/32/39/23/250323923.db2.gz DVCKEISKEQMIOL-BLLLJJGKSA-N 2 2 331.420 2.633 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659965 250323927 /nfs/dbraw/zinc/32/39/27/250323927.db2.gz DVCKEISKEQMIOL-BLLLJJGKSA-N 2 2 331.420 2.633 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659965 250323931 /nfs/dbraw/zinc/32/39/31/250323931.db2.gz DVCKEISKEQMIOL-BLLLJJGKSA-N 2 2 331.420 2.633 10 5 EFBELP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271315 252025139 /nfs/dbraw/zinc/02/51/39/252025139.db2.gz TVNDAAMODYHXEC-YJBOKZPZSA-N 2 2 347.459 2.754 10 5 EFBELP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271315 252025141 /nfs/dbraw/zinc/02/51/41/252025141.db2.gz TVNDAAMODYHXEC-YJBOKZPZSA-N 2 2 347.459 2.754 10 5 EFBELP [NH3+][C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000414842992 312057583 /nfs/dbraw/zinc/05/75/83/312057583.db2.gz ZZHKXFDLYGUYSQ-CQSZACIVSA-N 2 2 337.326 2.986 10 5 EFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177210842 473332147 /nfs/dbraw/zinc/33/21/47/473332147.db2.gz VMHBDPXQQLQHOE-AWEZNQCLSA-N 2 2 341.371 2.906 10 5 EFBELP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000075718686 472189005 /nfs/dbraw/zinc/18/90/05/472189005.db2.gz BFKBLJBTCJFVLQ-SJORKVTESA-N 2 2 346.475 2.758 10 5 EFBELP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000075718686 472189010 /nfs/dbraw/zinc/18/90/10/472189010.db2.gz BFKBLJBTCJFVLQ-SJORKVTESA-N 2 2 346.475 2.758 10 5 EFBELP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151300239 473440600 /nfs/dbraw/zinc/44/06/00/473440600.db2.gz YPHNVVDQEQZIOB-ROUUACIJSA-N 2 2 335.448 2.872 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985406 474024702 /nfs/dbraw/zinc/02/47/02/474024702.db2.gz JWHNRUZRJFNWGH-SUMWQHHRSA-N 2 2 349.431 2.623 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985406 474024705 /nfs/dbraw/zinc/02/47/05/474024705.db2.gz JWHNRUZRJFNWGH-SUMWQHHRSA-N 2 2 349.431 2.623 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985406 474024710 /nfs/dbraw/zinc/02/47/10/474024710.db2.gz JWHNRUZRJFNWGH-SUMWQHHRSA-N 2 2 349.431 2.623 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985406 474024715 /nfs/dbraw/zinc/02/47/15/474024715.db2.gz JWHNRUZRJFNWGH-SUMWQHHRSA-N 2 2 349.431 2.623 10 5 EFBELP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265553165 474251147 /nfs/dbraw/zinc/25/11/47/474251147.db2.gz ZBPTYWHFZDPVMA-LBPRGKRZSA-N 2 2 343.387 2.525 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435582 474586737 /nfs/dbraw/zinc/58/67/37/474586737.db2.gz QNEKLPRETOXPBT-YOEHRIQHSA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435582 474586742 /nfs/dbraw/zinc/58/67/42/474586742.db2.gz QNEKLPRETOXPBT-YOEHRIQHSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435582 474586749 /nfs/dbraw/zinc/58/67/49/474586749.db2.gz QNEKLPRETOXPBT-YOEHRIQHSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435582 474586755 /nfs/dbraw/zinc/58/67/55/474586755.db2.gz QNEKLPRETOXPBT-YOEHRIQHSA-N 2 2 348.447 2.504 10 5 EFBELP Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000359111494 476197635 /nfs/dbraw/zinc/19/76/35/476197635.db2.gz VVYWCHXUYOVDJJ-UHFFFAOYSA-N 2 2 347.463 2.577 10 5 EFBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378060426 476681062 /nfs/dbraw/zinc/68/10/62/476681062.db2.gz OYUDPAUYYRVBDH-GFCCVEGCSA-N 2 2 343.387 2.525 10 5 EFBELP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423235112 476970571 /nfs/dbraw/zinc/97/05/71/476970571.db2.gz GHPHDLWFTLOPRL-BZUAXINKSA-N 2 2 329.404 2.565 10 5 EFBELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145723 478520485 /nfs/dbraw/zinc/52/04/85/478520485.db2.gz SDDJHVZEVPZTKF-SGTLLEGYSA-N 2 2 328.416 2.691 10 5 EFBELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582145723 478520494 /nfs/dbraw/zinc/52/04/94/478520494.db2.gz SDDJHVZEVPZTKF-SGTLLEGYSA-N 2 2 328.416 2.691 10 5 EFBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000595054243 478644283 /nfs/dbraw/zinc/64/42/83/478644283.db2.gz OIGKJHGUHUBZJU-XJKSGUPXSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000595054243 478644286 /nfs/dbraw/zinc/64/42/86/478644286.db2.gz OIGKJHGUHUBZJU-XJKSGUPXSA-N 2 2 348.447 2.774 10 5 EFBELP Cc1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000595471471 478803553 /nfs/dbraw/zinc/80/35/53/478803553.db2.gz BLYXEDCTPALOFB-CYBMUJFWSA-N 2 2 345.403 2.804 10 5 EFBELP Cc1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000595471471 478803559 /nfs/dbraw/zinc/80/35/59/478803559.db2.gz BLYXEDCTPALOFB-CYBMUJFWSA-N 2 2 345.403 2.804 10 5 EFBELP COC1CC[NH+](CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599060323 479142939 /nfs/dbraw/zinc/14/29/39/479142939.db2.gz HIEVBUBHQCKECH-UHFFFAOYSA-N 2 2 330.388 2.666 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502352 479533404 /nfs/dbraw/zinc/53/34/04/479533404.db2.gz VCBDVLPJZFGJDZ-XJKSGUPXSA-N 2 2 349.431 2.544 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502352 479533407 /nfs/dbraw/zinc/53/34/07/479533407.db2.gz VCBDVLPJZFGJDZ-XJKSGUPXSA-N 2 2 349.431 2.544 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502352 479533414 /nfs/dbraw/zinc/53/34/14/479533414.db2.gz VCBDVLPJZFGJDZ-XJKSGUPXSA-N 2 2 349.431 2.544 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000589502352 479533422 /nfs/dbraw/zinc/53/34/22/479533422.db2.gz VCBDVLPJZFGJDZ-XJKSGUPXSA-N 2 2 349.431 2.544 10 5 EFBELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502885 479534965 /nfs/dbraw/zinc/53/49/65/479534965.db2.gz FRZGJAZAUOILTK-CQSZACIVSA-N 2 2 349.431 2.545 10 5 EFBELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589502885 479534971 /nfs/dbraw/zinc/53/49/71/479534971.db2.gz FRZGJAZAUOILTK-CQSZACIVSA-N 2 2 349.431 2.545 10 5 EFBELP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000610420515 480302040 /nfs/dbraw/zinc/30/20/40/480302040.db2.gz DMOGHUWAIDIKGW-ZBFHGGJFSA-N 2 2 333.432 2.889 10 5 EFBELP O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609619386 546396740 /nfs/dbraw/zinc/39/67/40/546396740.db2.gz DYISFRJDFNXAOH-UHFFFAOYSA-N 2 2 348.322 2.681 10 5 EFBELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525047 1276200421 /nfs/dbraw/zinc/20/04/21/1276200421.db2.gz BHCJOFZNHHRWID-CYBMUJFWSA-N 2 2 341.415 2.892 10 5 EFBELP C[NH+](C)CCCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000747768488 1284882377 /nfs/dbraw/zinc/88/23/77/1284882377.db2.gz MQJMBRHDIGMEHK-UHFFFAOYSA-N 2 2 346.387 2.669 10 5 EFBELP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176978337 1288204651 /nfs/dbraw/zinc/20/46/51/1288204651.db2.gz RAXYNUICLSZVLN-UHFFFAOYSA-N 2 2 330.388 2.717 10 5 EFBELP CC[NH+]1CCC([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000037977206 213180314 /nfs/dbraw/zinc/18/03/14/213180314.db2.gz AZNITQFTHSJGCY-UHFFFAOYSA-N 2 2 342.237 2.931 10 5 EFBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344799730 142080503 /nfs/dbraw/zinc/08/05/03/142080503.db2.gz ZFTSEWRUUCFJHA-HAZIXKIPSA-N 2 2 333.432 2.699 10 5 EFBELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344799730 142080504 /nfs/dbraw/zinc/08/05/04/142080504.db2.gz ZFTSEWRUUCFJHA-HAZIXKIPSA-N 2 2 333.432 2.699 10 5 EFBELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278044003 267327940 /nfs/dbraw/zinc/32/79/40/267327940.db2.gz XSBXOOZAWWOCPW-CYBMUJFWSA-N 2 2 341.839 2.839 10 5 EFBELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278044003 267327942 /nfs/dbraw/zinc/32/79/42/267327942.db2.gz XSBXOOZAWWOCPW-CYBMUJFWSA-N 2 2 341.839 2.839 10 5 EFBELP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000278218942 267372302 /nfs/dbraw/zinc/37/23/02/267372302.db2.gz LEHXFKORNCSLAJ-UHFFFAOYSA-N 2 2 331.332 2.606 10 5 EFBELP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000274350645 273133107 /nfs/dbraw/zinc/13/31/07/273133107.db2.gz WYOGRJDDMSSDSZ-UHFFFAOYSA-N 2 2 334.351 2.845 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461286 276214090 /nfs/dbraw/zinc/21/40/90/276214090.db2.gz JWHNRUZRJFNWGH-CXAGYDPISA-N 2 2 349.431 2.623 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461286 276214091 /nfs/dbraw/zinc/21/40/91/276214091.db2.gz JWHNRUZRJFNWGH-CXAGYDPISA-N 2 2 349.431 2.623 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461286 276214092 /nfs/dbraw/zinc/21/40/92/276214092.db2.gz JWHNRUZRJFNWGH-CXAGYDPISA-N 2 2 349.431 2.623 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000079461286 276214093 /nfs/dbraw/zinc/21/40/93/276214093.db2.gz JWHNRUZRJFNWGH-CXAGYDPISA-N 2 2 349.431 2.623 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707209 276224413 /nfs/dbraw/zinc/22/44/13/276224413.db2.gz RJEQRHKYOCFJND-GJZGRUSLSA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707209 276224414 /nfs/dbraw/zinc/22/44/14/276224414.db2.gz RJEQRHKYOCFJND-GJZGRUSLSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707209 276224415 /nfs/dbraw/zinc/22/44/15/276224415.db2.gz RJEQRHKYOCFJND-GJZGRUSLSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348707209 276224416 /nfs/dbraw/zinc/22/44/16/276224416.db2.gz RJEQRHKYOCFJND-GJZGRUSLSA-N 2 2 348.447 2.504 10 5 EFBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826327 312054921 /nfs/dbraw/zinc/05/49/21/312054921.db2.gz FMMOPTYJCXUMDA-DYVFJYSZSA-N 2 2 342.399 2.602 10 5 EFBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488863 473292512 /nfs/dbraw/zinc/29/25/12/473292512.db2.gz JDUHELZMFSUSRK-KRWDZBQOSA-N 2 2 340.427 2.944 10 5 EFBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488863 473292519 /nfs/dbraw/zinc/29/25/19/473292519.db2.gz JDUHELZMFSUSRK-KRWDZBQOSA-N 2 2 340.427 2.944 10 5 EFBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488863 473292532 /nfs/dbraw/zinc/29/25/32/473292532.db2.gz JDUHELZMFSUSRK-KRWDZBQOSA-N 2 2 340.427 2.944 10 5 EFBELP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000075718688 472188635 /nfs/dbraw/zinc/18/86/35/472188635.db2.gz BFKBLJBTCJFVLQ-IAGOWNOFSA-N 2 2 346.475 2.758 10 5 EFBELP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000075718688 472188641 /nfs/dbraw/zinc/18/86/41/472188641.db2.gz BFKBLJBTCJFVLQ-IAGOWNOFSA-N 2 2 346.475 2.758 10 5 EFBELP Cc1cc(NCCc2c[nH+]cn2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000097108367 472449676 /nfs/dbraw/zinc/44/96/76/472449676.db2.gz PJUGYUMSTQQDQF-UHFFFAOYSA-N 2 2 338.371 2.748 10 5 EFBELP Cc1cnc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078669919 472751343 /nfs/dbraw/zinc/75/13/43/472751343.db2.gz WPKFRTIAVVNYGD-UHFFFAOYSA-N 2 2 347.463 2.660 10 5 EFBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247011607 474034526 /nfs/dbraw/zinc/03/45/26/474034526.db2.gz MGBMMFWEVIRUEZ-ZWKOTPCHSA-N 2 2 347.459 2.616 10 5 EFBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247011607 474034531 /nfs/dbraw/zinc/03/45/31/474034531.db2.gz MGBMMFWEVIRUEZ-ZWKOTPCHSA-N 2 2 347.459 2.616 10 5 EFBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344799733 474794937 /nfs/dbraw/zinc/79/49/37/474794937.db2.gz ZFTSEWRUUCFJHA-VHUCWBOISA-N 2 2 333.432 2.699 10 5 EFBELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344799733 474794947 /nfs/dbraw/zinc/79/49/47/474794947.db2.gz ZFTSEWRUUCFJHA-VHUCWBOISA-N 2 2 333.432 2.699 10 5 EFBELP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000352776297 475612045 /nfs/dbraw/zinc/61/20/45/475612045.db2.gz BPAIOZUMTDNHCQ-CZUORRHYSA-N 2 2 330.388 2.883 10 5 EFBELP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000352776297 475612052 /nfs/dbraw/zinc/61/20/52/475612052.db2.gz BPAIOZUMTDNHCQ-CZUORRHYSA-N 2 2 330.388 2.883 10 5 EFBELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423233058 476970311 /nfs/dbraw/zinc/97/03/11/476970311.db2.gz NRLAEOUPZJDNFT-ZDUSSCGKSA-N 2 2 327.388 2.573 10 5 EFBELP [NH3+][C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000423235115 476971306 /nfs/dbraw/zinc/97/13/06/476971306.db2.gz GHPHDLWFTLOPRL-PMPSAXMXSA-N 2 2 329.404 2.565 10 5 EFBELP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262209 477201556 /nfs/dbraw/zinc/20/15/56/477201556.db2.gz KMJJBGYIAIKKEV-ZWKOTPCHSA-N 2 2 335.448 2.872 10 5 EFBELP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262209 477201561 /nfs/dbraw/zinc/20/15/61/477201561.db2.gz KMJJBGYIAIKKEV-ZWKOTPCHSA-N 2 2 335.448 2.872 10 5 EFBELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000459656645 478025652 /nfs/dbraw/zinc/02/56/52/478025652.db2.gz GZRRTVNAYQEFLW-RHSMWYFYSA-N 2 2 328.416 2.872 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600201798 478278810 /nfs/dbraw/zinc/27/88/10/478278810.db2.gz XQICFVWWULUBGU-UHFFFAOYSA-N 2 2 333.432 2.590 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600776739 478514726 /nfs/dbraw/zinc/51/47/26/478514726.db2.gz RMHSTFDJYZNKQS-TZMCWYRMSA-N 2 2 331.338 2.862 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600776739 478514735 /nfs/dbraw/zinc/51/47/35/478514735.db2.gz RMHSTFDJYZNKQS-TZMCWYRMSA-N 2 2 331.338 2.862 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000571580888 478630500 /nfs/dbraw/zinc/63/05/00/478630500.db2.gz CLXDWOUBELFHKL-QGZVFWFLSA-N 2 2 333.432 2.590 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000571580888 478630508 /nfs/dbraw/zinc/63/05/08/478630508.db2.gz CLXDWOUBELFHKL-QGZVFWFLSA-N 2 2 333.432 2.590 10 5 EFBELP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425443 478890741 /nfs/dbraw/zinc/89/07/41/478890741.db2.gz COKDTSYRGSVRDA-UKRRQHHQSA-N 2 2 349.431 2.576 10 5 EFBELP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425443 478890750 /nfs/dbraw/zinc/89/07/50/478890750.db2.gz COKDTSYRGSVRDA-UKRRQHHQSA-N 2 2 349.431 2.576 10 5 EFBELP C[NH+](C)C1CC[NH+](CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599055114 479141643 /nfs/dbraw/zinc/14/16/43/479141643.db2.gz NGDHFJFJNAJMAT-UHFFFAOYSA-N 2 2 343.431 2.581 10 5 EFBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000599074472 479151170 /nfs/dbraw/zinc/15/11/70/479151170.db2.gz RQWSEMYLJQOAHM-IXDOHACOSA-N 2 2 347.463 2.882 10 5 EFBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000599074472 479151177 /nfs/dbraw/zinc/15/11/77/479151177.db2.gz RQWSEMYLJQOAHM-IXDOHACOSA-N 2 2 347.463 2.882 10 5 EFBELP C[NH+](C)CCC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599111266 479164940 /nfs/dbraw/zinc/16/49/40/479164940.db2.gz MUDMHXIICJZEET-HNNXBMFYSA-N 2 2 344.415 2.690 10 5 EFBELP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407711 479370452 /nfs/dbraw/zinc/37/04/52/479370452.db2.gz MWFKGSQDIXYXHO-NVXWUHKLSA-N 2 2 343.427 2.738 10 5 EFBELP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614771464 479506458 /nfs/dbraw/zinc/50/64/58/479506458.db2.gz KUHRHLIFKVNZPO-AWEZNQCLSA-N 2 2 342.399 2.823 10 5 EFBELP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614771464 479506464 /nfs/dbraw/zinc/50/64/64/479506464.db2.gz KUHRHLIFKVNZPO-AWEZNQCLSA-N 2 2 342.399 2.823 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502350 479533241 /nfs/dbraw/zinc/53/32/41/479533241.db2.gz VCBDVLPJZFGJDZ-CZUORRHYSA-N 2 2 349.431 2.544 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502350 479533247 /nfs/dbraw/zinc/53/32/47/479533247.db2.gz VCBDVLPJZFGJDZ-CZUORRHYSA-N 2 2 349.431 2.544 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502350 479533254 /nfs/dbraw/zinc/53/32/54/479533254.db2.gz VCBDVLPJZFGJDZ-CZUORRHYSA-N 2 2 349.431 2.544 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000589502350 479533259 /nfs/dbraw/zinc/53/32/59/479533259.db2.gz VCBDVLPJZFGJDZ-CZUORRHYSA-N 2 2 349.431 2.544 10 5 EFBELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230071 533793800 /nfs/dbraw/zinc/79/38/00/533793800.db2.gz NESYONRCNIJBOP-DGCLKSJQSA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230071 533793806 /nfs/dbraw/zinc/79/38/06/533793806.db2.gz NESYONRCNIJBOP-DGCLKSJQSA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230071 533793813 /nfs/dbraw/zinc/79/38/13/533793813.db2.gz NESYONRCNIJBOP-DGCLKSJQSA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230071 533793816 /nfs/dbraw/zinc/79/38/16/533793816.db2.gz NESYONRCNIJBOP-DGCLKSJQSA-N 2 2 325.384 2.657 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443628 521713194 /nfs/dbraw/zinc/71/31/94/521713194.db2.gz XIYVBEZFRQNJGL-WMLDXEAASA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443628 521713195 /nfs/dbraw/zinc/71/31/95/521713195.db2.gz XIYVBEZFRQNJGL-WMLDXEAASA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443628 521713197 /nfs/dbraw/zinc/71/31/97/521713197.db2.gz XIYVBEZFRQNJGL-WMLDXEAASA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000245443628 521713199 /nfs/dbraw/zinc/71/31/99/521713199.db2.gz XIYVBEZFRQNJGL-WMLDXEAASA-N 2 2 348.447 2.504 10 5 EFBELP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171642040 534886701 /nfs/dbraw/zinc/88/67/01/534886701.db2.gz IIHNSJMQFVANNA-HNNXBMFYSA-N 2 2 342.399 2.803 10 5 EFBELP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171642040 534886702 /nfs/dbraw/zinc/88/67/02/534886702.db2.gz IIHNSJMQFVANNA-HNNXBMFYSA-N 2 2 342.399 2.803 10 5 EFBELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525048 1276199852 /nfs/dbraw/zinc/19/98/52/1276199852.db2.gz BHCJOFZNHHRWID-ZDUSSCGKSA-N 2 2 341.415 2.892 10 5 EFBELP [NH3+]CCN(Cc1cc(-n2cc[nH+]c2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000809735276 1282414308 /nfs/dbraw/zinc/41/43/08/1282414308.db2.gz YVVXJIKFZRUMLF-UHFFFAOYSA-N 2 2 343.412 2.807 10 5 EFBELP C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162126911 1105255660 /nfs/dbraw/zinc/25/56/60/1105255660.db2.gz APMVTRMETIEJTG-UHFFFAOYSA-N 2 2 328.210 2.541 10 5 EFBELP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368102142 150036600 /nfs/dbraw/zinc/03/66/00/150036600.db2.gz MOTOWCXAODOPED-GDBMZVCRSA-N 2 2 326.400 2.786 10 5 EFBELP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368102142 150036604 /nfs/dbraw/zinc/03/66/04/150036604.db2.gz MOTOWCXAODOPED-GDBMZVCRSA-N 2 2 326.400 2.786 10 5 EFBELP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368102143 150037179 /nfs/dbraw/zinc/03/71/79/150037179.db2.gz MOTOWCXAODOPED-GOEBONIOSA-N 2 2 326.400 2.786 10 5 EFBELP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368102143 150037183 /nfs/dbraw/zinc/03/71/83/150037183.db2.gz MOTOWCXAODOPED-GOEBONIOSA-N 2 2 326.400 2.786 10 5 EFBELP COc1ccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000374206435 151300820 /nfs/dbraw/zinc/30/08/20/151300820.db2.gz DSOFLLYZWIPZOJ-UHFFFAOYSA-N 2 2 346.387 2.585 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998528 276225457 /nfs/dbraw/zinc/22/54/57/276225457.db2.gz WXWPMBFHKXKPMB-DOMZBBRYSA-N 2 2 336.392 2.665 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998528 276225458 /nfs/dbraw/zinc/22/54/58/276225458.db2.gz WXWPMBFHKXKPMB-DOMZBBRYSA-N 2 2 336.392 2.665 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998528 276225459 /nfs/dbraw/zinc/22/54/59/276225459.db2.gz WXWPMBFHKXKPMB-DOMZBBRYSA-N 2 2 336.392 2.665 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998528 276225460 /nfs/dbraw/zinc/22/54/60/276225460.db2.gz WXWPMBFHKXKPMB-DOMZBBRYSA-N 2 2 336.392 2.665 10 5 EFBELP Cc1ccnc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000301436944 311137349 /nfs/dbraw/zinc/13/73/49/311137349.db2.gz HQCPCJHMZGEBRL-UHFFFAOYSA-N 2 2 347.463 2.660 10 5 EFBELP CC[N@H+](C)[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302741967 311198741 /nfs/dbraw/zinc/19/87/41/311198741.db2.gz DBCMEPDQRBLHHI-INIZCTEOSA-N 2 2 341.415 2.891 10 5 EFBELP CC[N@@H+](C)[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302741967 311198742 /nfs/dbraw/zinc/19/87/42/311198742.db2.gz DBCMEPDQRBLHHI-INIZCTEOSA-N 2 2 341.415 2.891 10 5 EFBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826329 312054977 /nfs/dbraw/zinc/05/49/77/312054977.db2.gz FMMOPTYJCXUMDA-GUYCJALGSA-N 2 2 342.399 2.602 10 5 EFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246363768 473840966 /nfs/dbraw/zinc/84/09/66/473840966.db2.gz XQQGMZHNAXQTKC-IAGOWNOFSA-N 2 2 344.415 2.724 10 5 EFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246363768 473840974 /nfs/dbraw/zinc/84/09/74/473840974.db2.gz XQQGMZHNAXQTKC-IAGOWNOFSA-N 2 2 344.415 2.724 10 5 EFBELP O=[N+]([O-])c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c2c(c1)COCO2 ZINC000378054262 476680312 /nfs/dbraw/zinc/68/03/12/476680312.db2.gz GIBOJGYYDKQIGB-UHFFFAOYSA-N 2 2 344.371 2.564 10 5 EFBELP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000375716290 476968242 /nfs/dbraw/zinc/96/82/42/476968242.db2.gz AUMWGDQTAPKCIP-UHFFFAOYSA-N 2 2 331.332 2.606 10 5 EFBELP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000375716290 476968248 /nfs/dbraw/zinc/96/82/48/476968248.db2.gz AUMWGDQTAPKCIP-UHFFFAOYSA-N 2 2 331.332 2.606 10 5 EFBELP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262208 477200969 /nfs/dbraw/zinc/20/09/69/477200969.db2.gz KMJJBGYIAIKKEV-ROUUACIJSA-N 2 2 335.448 2.872 10 5 EFBELP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262208 477200974 /nfs/dbraw/zinc/20/09/74/477200974.db2.gz KMJJBGYIAIKKEV-ROUUACIJSA-N 2 2 335.448 2.872 10 5 EFBELP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262206 477201468 /nfs/dbraw/zinc/20/14/68/477201468.db2.gz KMJJBGYIAIKKEV-MSOLQXFVSA-N 2 2 335.448 2.872 10 5 EFBELP CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000453262206 477201475 /nfs/dbraw/zinc/20/14/75/477201475.db2.gz KMJJBGYIAIKKEV-MSOLQXFVSA-N 2 2 335.448 2.872 10 5 EFBELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000600208574 478284543 /nfs/dbraw/zinc/28/45/43/478284543.db2.gz MRIFRPQOXGNXEE-UHFFFAOYSA-N 2 2 347.459 2.980 10 5 EFBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000595054241 478643579 /nfs/dbraw/zinc/64/35/79/478643579.db2.gz OIGKJHGUHUBZJU-CJNGLKHVSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000595054241 478643585 /nfs/dbraw/zinc/64/35/85/478643585.db2.gz OIGKJHGUHUBZJU-CJNGLKHVSA-N 2 2 348.447 2.774 10 5 EFBELP O=[N+]([O-])c1ccccc1C[N@@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H](O)CC1 ZINC000592132268 478789901 /nfs/dbraw/zinc/78/99/01/478789901.db2.gz FXTNORMKNQSCQC-QAQDUYKDSA-N 2 2 344.415 2.597 10 5 EFBELP O=[N+]([O-])c1ccccc1C[N@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H](O)CC1 ZINC000592132268 478789913 /nfs/dbraw/zinc/78/99/13/478789913.db2.gz FXTNORMKNQSCQC-QAQDUYKDSA-N 2 2 344.415 2.597 10 5 EFBELP CC[NH+](CC)CCOCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599064409 479145703 /nfs/dbraw/zinc/14/57/03/479145703.db2.gz CMURSHZNBFHONO-UHFFFAOYSA-N 2 2 332.404 2.913 10 5 EFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599620364 479355484 /nfs/dbraw/zinc/35/54/84/479355484.db2.gz ZRTQRQITHDCQBL-OAHLLOKOSA-N 2 2 333.432 2.843 10 5 EFBELP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599623801 479357652 /nfs/dbraw/zinc/35/76/52/479357652.db2.gz XNEHKAKLLAVMNH-HNNXBMFYSA-N 2 2 333.432 2.843 10 5 EFBELP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000162209323 716778029 /nfs/dbraw/zinc/77/80/29/716778029.db2.gz AOTNWHSPRHCVDL-ZWNOBZJWSA-N 2 2 342.237 2.930 10 5 EFBELP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000162209323 716778034 /nfs/dbraw/zinc/77/80/34/716778034.db2.gz AOTNWHSPRHCVDL-ZWNOBZJWSA-N 2 2 342.237 2.930 10 5 EFBELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414943847 244396891 /nfs/dbraw/zinc/39/68/91/244396891.db2.gz OLEWIGDODIRBGR-ABAIWWIYSA-N 2 2 332.429 2.806 10 5 EFBELP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000368102910 150038520 /nfs/dbraw/zinc/03/85/20/150038520.db2.gz QRDHMUAJKIXCGT-DGCLKSJQSA-N 2 2 330.388 2.925 10 5 EFBELP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000368102910 150038526 /nfs/dbraw/zinc/03/85/26/150038526.db2.gz QRDHMUAJKIXCGT-DGCLKSJQSA-N 2 2 330.388 2.925 10 5 EFBELP Cc1cc(N2CCC([NH+](C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301119472 311120137 /nfs/dbraw/zinc/12/01/37/311120137.db2.gz PWLGQSOOTWOUMV-UHFFFAOYSA-N 2 2 341.415 2.891 10 5 EFBELP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])c1 ZINC000301878594 311164297 /nfs/dbraw/zinc/16/42/97/311164297.db2.gz ZBKUQEUDTNGFGV-SJPCQFCGSA-N 2 2 344.459 2.650 10 5 EFBELP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c([N+](=O)[O-])c1 ZINC000301878594 311164299 /nfs/dbraw/zinc/16/42/99/311164299.db2.gz ZBKUQEUDTNGFGV-SJPCQFCGSA-N 2 2 344.459 2.650 10 5 EFBELP Cc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000302499640 311191701 /nfs/dbraw/zinc/19/17/01/311191701.db2.gz ODNNNMFNFZXJBE-SJPCQFCGSA-N 2 2 344.459 2.650 10 5 EFBELP Cc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-] ZINC000302499640 311191703 /nfs/dbraw/zinc/19/17/03/311191703.db2.gz ODNNNMFNFZXJBE-SJPCQFCGSA-N 2 2 344.459 2.650 10 5 EFBELP COc1ccc(-c2ccc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414930758 312065821 /nfs/dbraw/zinc/06/58/21/312065821.db2.gz PEYXJLAVNVXJJE-WBMJQRKESA-N 2 2 345.399 2.951 10 5 EFBELP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423494182 312424521 /nfs/dbraw/zinc/42/45/21/312424521.db2.gz RXCWZCSUNKDZQD-MOPGFXCFSA-N 2 2 341.411 2.652 10 5 EFBELP Cn1cc(C[NH+]2CCC([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091669224 472790871 /nfs/dbraw/zinc/79/08/71/472790871.db2.gz INXAGRGKOYBCJP-UHFFFAOYSA-N 2 2 343.431 2.521 10 5 EFBELP O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266779874 474479551 /nfs/dbraw/zinc/47/95/51/474479551.db2.gz USSBRUGKOCUNCZ-UHFFFAOYSA-N 2 2 330.388 2.966 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435581 474586478 /nfs/dbraw/zinc/58/64/78/474586478.db2.gz QNEKLPRETOXPBT-WMLDXEAASA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435581 474586488 /nfs/dbraw/zinc/58/64/88/474586488.db2.gz QNEKLPRETOXPBT-WMLDXEAASA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435581 474586491 /nfs/dbraw/zinc/58/64/91/474586491.db2.gz QNEKLPRETOXPBT-WMLDXEAASA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245435581 474586500 /nfs/dbraw/zinc/58/65/00/474586500.db2.gz QNEKLPRETOXPBT-WMLDXEAASA-N 2 2 348.447 2.504 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292232214 474917240 /nfs/dbraw/zinc/91/72/40/474917240.db2.gz VYKKGTHJTMYNFU-SFHVURJKSA-N 2 2 333.432 2.910 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292232214 474917248 /nfs/dbraw/zinc/91/72/48/474917248.db2.gz VYKKGTHJTMYNFU-SFHVURJKSA-N 2 2 333.432 2.910 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292232214 474917259 /nfs/dbraw/zinc/91/72/59/474917259.db2.gz VYKKGTHJTMYNFU-SFHVURJKSA-N 2 2 333.432 2.910 10 5 EFBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292232214 474917266 /nfs/dbraw/zinc/91/72/66/474917266.db2.gz VYKKGTHJTMYNFU-SFHVURJKSA-N 2 2 333.432 2.910 10 5 EFBELP COc1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000261848296 475084485 /nfs/dbraw/zinc/08/44/85/475084485.db2.gz XRNOFFPPDRLLBQ-UHFFFAOYSA-N 2 2 329.400 2.607 10 5 EFBELP COc1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000261848296 475084496 /nfs/dbraw/zinc/08/44/96/475084496.db2.gz XRNOFFPPDRLLBQ-UHFFFAOYSA-N 2 2 329.400 2.607 10 5 EFBELP CC[NH+](CC)[C@H](C)CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353589509 476104642 /nfs/dbraw/zinc/10/46/42/476104642.db2.gz HELWJNJVRAWIOJ-PBHICJAKSA-N 2 2 345.447 2.738 10 5 EFBELP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000370730651 476956607 /nfs/dbraw/zinc/95/66/07/476956607.db2.gz PSHKWWCQQBGWBO-SNVBAGLBSA-N 2 2 338.314 2.566 10 5 EFBELP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000370730651 476956609 /nfs/dbraw/zinc/95/66/09/476956609.db2.gz PSHKWWCQQBGWBO-SNVBAGLBSA-N 2 2 338.314 2.566 10 5 EFBELP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000423230533 476968468 /nfs/dbraw/zinc/96/84/68/476968468.db2.gz JHGLEGRGVLLJAK-QGZVFWFLSA-N 2 2 341.415 2.963 10 5 EFBELP Cc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000423233787 476970034 /nfs/dbraw/zinc/97/00/34/476970034.db2.gz OTPLLTJECXWPSF-AWEZNQCLSA-N 2 2 341.415 2.881 10 5 EFBELP C[N@@H+]1CC[C@]2(CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533525 477056311 /nfs/dbraw/zinc/05/63/11/477056311.db2.gz HRFRRTSILRIMBP-SFHVURJKSA-N 2 2 342.399 2.777 10 5 EFBELP C[N@H+]1CC[C@]2(CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533525 477056317 /nfs/dbraw/zinc/05/63/17/477056317.db2.gz HRFRRTSILRIMBP-SFHVURJKSA-N 2 2 342.399 2.777 10 5 EFBELP C[NH+]1CC[C@]2(CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533525 477056323 /nfs/dbraw/zinc/05/63/23/477056323.db2.gz HRFRRTSILRIMBP-SFHVURJKSA-N 2 2 342.399 2.777 10 5 EFBELP C[NH+]1CC[C@]2(CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533525 477056327 /nfs/dbraw/zinc/05/63/27/477056327.db2.gz HRFRRTSILRIMBP-SFHVURJKSA-N 2 2 342.399 2.777 10 5 EFBELP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000459656644 478025418 /nfs/dbraw/zinc/02/54/18/478025418.db2.gz GZRRTVNAYQEFLW-PBHICJAKSA-N 2 2 328.416 2.872 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000571580887 478630804 /nfs/dbraw/zinc/63/08/04/478630804.db2.gz CLXDWOUBELFHKL-KRWDZBQOSA-N 2 2 333.432 2.590 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000571580887 478630807 /nfs/dbraw/zinc/63/08/07/478630807.db2.gz CLXDWOUBELFHKL-KRWDZBQOSA-N 2 2 333.432 2.590 10 5 EFBELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048360 478640400 /nfs/dbraw/zinc/64/04/00/478640400.db2.gz KMIIGWUDQQTGLJ-QLFBSQMISA-N 2 2 335.452 2.737 10 5 EFBELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048360 478640404 /nfs/dbraw/zinc/64/04/04/478640404.db2.gz KMIIGWUDQQTGLJ-QLFBSQMISA-N 2 2 335.452 2.737 10 5 EFBELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048358 478640521 /nfs/dbraw/zinc/64/05/21/478640521.db2.gz KMIIGWUDQQTGLJ-KFWWJZLASA-N 2 2 335.452 2.737 10 5 EFBELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595048358 478640524 /nfs/dbraw/zinc/64/05/24/478640524.db2.gz KMIIGWUDQQTGLJ-KFWWJZLASA-N 2 2 335.452 2.737 10 5 EFBELP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425438 478890591 /nfs/dbraw/zinc/89/05/91/478890591.db2.gz COKDTSYRGSVRDA-HIFRSBDPSA-N 2 2 349.431 2.576 10 5 EFBELP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000592425438 478890597 /nfs/dbraw/zinc/89/05/97/478890597.db2.gz COKDTSYRGSVRDA-HIFRSBDPSA-N 2 2 349.431 2.576 10 5 EFBELP CC1=CC[N@H+](CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000545865955 478962777 /nfs/dbraw/zinc/96/27/77/478962777.db2.gz PNBVWDJBTCMWLL-OAHLLOKOSA-N 2 2 346.431 2.554 10 5 EFBELP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000545865955 478962785 /nfs/dbraw/zinc/96/27/85/478962785.db2.gz PNBVWDJBTCMWLL-OAHLLOKOSA-N 2 2 346.431 2.554 10 5 EFBELP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000573402754 479058167 /nfs/dbraw/zinc/05/81/67/479058167.db2.gz OOGQJDFUXZTWRQ-GXTWGEPZSA-N 2 2 328.416 2.833 10 5 EFBELP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@H+]1C1CC1 ZINC000573402754 479058173 /nfs/dbraw/zinc/05/81/73/479058173.db2.gz OOGQJDFUXZTWRQ-GXTWGEPZSA-N 2 2 328.416 2.833 10 5 EFBELP C[NH+](C)[C@@]1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCSC1 ZINC000599052949 479139707 /nfs/dbraw/zinc/13/97/07/479139707.db2.gz CCOUXQIHYOEQKZ-MRXNPFEDSA-N 2 2 332.429 2.992 10 5 EFBELP O=[N+]([O-])c1c(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc2c[nH+]ccc21 ZINC000599060027 479143027 /nfs/dbraw/zinc/14/30/27/479143027.db2.gz LKBHQUPLMCSFOH-OAHLLOKOSA-N 2 2 342.399 2.808 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273855 479333676 /nfs/dbraw/zinc/33/36/76/479333676.db2.gz PRMZZFGRDIJYMV-UKRRQHHQSA-N 2 2 349.431 2.528 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273855 479333679 /nfs/dbraw/zinc/33/36/79/479333679.db2.gz PRMZZFGRDIJYMV-UKRRQHHQSA-N 2 2 349.431 2.528 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273855 479333683 /nfs/dbraw/zinc/33/36/83/479333683.db2.gz PRMZZFGRDIJYMV-UKRRQHHQSA-N 2 2 349.431 2.528 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000611273855 479333688 /nfs/dbraw/zinc/33/36/88/479333688.db2.gz PRMZZFGRDIJYMV-UKRRQHHQSA-N 2 2 349.431 2.528 10 5 EFBELP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407712 479371042 /nfs/dbraw/zinc/37/10/42/479371042.db2.gz MWFKGSQDIXYXHO-RDJZCZTQSA-N 2 2 343.427 2.738 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502205 479533010 /nfs/dbraw/zinc/53/30/10/479533010.db2.gz OOIRZGHVAFAALA-CZUORRHYSA-N 2 2 349.431 2.686 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502205 479533015 /nfs/dbraw/zinc/53/30/15/479533015.db2.gz OOIRZGHVAFAALA-CZUORRHYSA-N 2 2 349.431 2.686 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502205 479533023 /nfs/dbraw/zinc/53/30/23/479533023.db2.gz OOIRZGHVAFAALA-CZUORRHYSA-N 2 2 349.431 2.686 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589502205 479533030 /nfs/dbraw/zinc/53/30/30/479533030.db2.gz OOIRZGHVAFAALA-CZUORRHYSA-N 2 2 349.431 2.686 10 5 EFBELP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597247924 479643395 /nfs/dbraw/zinc/64/33/95/479643395.db2.gz JOVJUODMGLRAFB-AFCDSYGPSA-N 2 2 333.432 2.651 10 5 EFBELP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597247924 479643402 /nfs/dbraw/zinc/64/34/02/479643402.db2.gz JOVJUODMGLRAFB-AFCDSYGPSA-N 2 2 333.432 2.651 10 5 EFBELP Cn1c[nH+]cc1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001655123406 1101788047 /nfs/dbraw/zinc/78/80/47/1101788047.db2.gz JWSPWIUYVFVAAL-UHFFFAOYSA-N 2 2 330.388 2.587 10 5 EFBELP CCO[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000926960773 1108294097 /nfs/dbraw/zinc/29/40/97/1108294097.db2.gz NEAROXUMPNVPBC-WMLDXEAASA-N 2 2 335.448 2.874 10 5 EFBELP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419285796 245367501 /nfs/dbraw/zinc/36/75/01/245367501.db2.gz DREJKECPBKKEQS-CYBMUJFWSA-N 2 2 346.431 2.528 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096839 217361897 /nfs/dbraw/zinc/36/18/97/217361897.db2.gz XIYVBEZFRQNJGL-RHSMWYFYSA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096839 217361900 /nfs/dbraw/zinc/36/19/00/217361900.db2.gz XIYVBEZFRQNJGL-RHSMWYFYSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096839 217361904 /nfs/dbraw/zinc/36/19/04/217361904.db2.gz XIYVBEZFRQNJGL-RHSMWYFYSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000081096839 217361907 /nfs/dbraw/zinc/36/19/07/217361907.db2.gz XIYVBEZFRQNJGL-RHSMWYFYSA-N 2 2 348.447 2.504 10 5 EFBELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644317 218239231 /nfs/dbraw/zinc/23/92/31/218239231.db2.gz CAZDXQAKJXRZKC-TZMCWYRMSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644317 218239232 /nfs/dbraw/zinc/23/92/32/218239232.db2.gz CAZDXQAKJXRZKC-TZMCWYRMSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644317 218239235 /nfs/dbraw/zinc/23/92/35/218239235.db2.gz CAZDXQAKJXRZKC-TZMCWYRMSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644317 218239237 /nfs/dbraw/zinc/23/92/37/218239237.db2.gz CAZDXQAKJXRZKC-TZMCWYRMSA-N 2 2 337.420 2.527 10 5 EFBELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344799732 142080618 /nfs/dbraw/zinc/08/06/18/142080618.db2.gz ZFTSEWRUUCFJHA-RXBGNRNISA-N 2 2 333.432 2.699 10 5 EFBELP COCC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344799732 142080620 /nfs/dbraw/zinc/08/06/20/142080620.db2.gz ZFTSEWRUUCFJHA-RXBGNRNISA-N 2 2 333.432 2.699 10 5 EFBELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000355665801 147028957 /nfs/dbraw/zinc/02/89/57/147028957.db2.gz XESYOCGWYHCIMS-UHFFFAOYSA-N 2 2 342.399 2.629 10 5 EFBELP Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301232791 311125922 /nfs/dbraw/zinc/12/59/22/311125922.db2.gz KGFGIRDVGPGZDJ-CQSZACIVSA-N 2 2 341.415 2.748 10 5 EFBELP Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301232791 311125923 /nfs/dbraw/zinc/12/59/23/311125923.db2.gz KGFGIRDVGPGZDJ-CQSZACIVSA-N 2 2 341.415 2.748 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000301880008 311164490 /nfs/dbraw/zinc/16/44/90/311164490.db2.gz ZMHLUFYIGSUTNA-BYICEURKSA-N 2 2 344.459 2.650 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000301880008 311164491 /nfs/dbraw/zinc/16/44/91/311164491.db2.gz ZMHLUFYIGSUTNA-BYICEURKSA-N 2 2 344.459 2.650 10 5 EFBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCCC2 ZINC000417349428 312212667 /nfs/dbraw/zinc/21/26/67/312212667.db2.gz LDGCRFVXEYVCII-PKOBYXMFSA-N 2 2 347.459 2.799 10 5 EFBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCCC2 ZINC000417349428 312212670 /nfs/dbraw/zinc/21/26/70/312212670.db2.gz LDGCRFVXEYVCII-PKOBYXMFSA-N 2 2 347.459 2.799 10 5 EFBELP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423494184 312424709 /nfs/dbraw/zinc/42/47/09/312424709.db2.gz RXCWZCSUNKDZQD-RBUKOAKNSA-N 2 2 341.411 2.652 10 5 EFBELP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000104718295 472688366 /nfs/dbraw/zinc/68/83/66/472688366.db2.gz HRZPHKQRZQXDJH-CQSZACIVSA-N 2 2 342.399 2.882 10 5 EFBELP Cc1c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000109751175 473117339 /nfs/dbraw/zinc/11/73/39/473117339.db2.gz ZYHVBMVMQJVVQI-GOSISDBHSA-N 2 2 346.475 2.505 10 5 EFBELP Cc1c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000109751175 473117343 /nfs/dbraw/zinc/11/73/43/473117343.db2.gz ZYHVBMVMQJVVQI-GOSISDBHSA-N 2 2 346.475 2.505 10 5 EFBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137050192 473192496 /nfs/dbraw/zinc/19/24/96/473192496.db2.gz XQQGMZHNAXQTKC-SJORKVTESA-N 2 2 344.415 2.724 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985391 474023886 /nfs/dbraw/zinc/02/38/86/474023886.db2.gz JWHNRUZRJFNWGH-GUYCJALGSA-N 2 2 349.431 2.623 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985391 474023889 /nfs/dbraw/zinc/02/38/89/474023889.db2.gz JWHNRUZRJFNWGH-GUYCJALGSA-N 2 2 349.431 2.623 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985391 474023896 /nfs/dbraw/zinc/02/38/96/474023896.db2.gz JWHNRUZRJFNWGH-GUYCJALGSA-N 2 2 349.431 2.623 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000246985391 474023905 /nfs/dbraw/zinc/02/39/05/474023905.db2.gz JWHNRUZRJFNWGH-GUYCJALGSA-N 2 2 349.431 2.623 10 5 EFBELP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000265516392 474240894 /nfs/dbraw/zinc/24/08/94/474240894.db2.gz RWRVLMCOHHWLHY-UHFFFAOYSA-N 2 2 343.387 2.526 10 5 EFBELP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000249054855 474513949 /nfs/dbraw/zinc/51/39/49/474513949.db2.gz YLBYNYSZTYMVPE-BLLLJJGKSA-N 2 2 345.359 2.783 10 5 EFBELP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000249054855 474513955 /nfs/dbraw/zinc/51/39/55/474513955.db2.gz YLBYNYSZTYMVPE-BLLLJJGKSA-N 2 2 345.359 2.783 10 5 EFBELP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609257830 480132051 /nfs/dbraw/zinc/13/20/51/480132051.db2.gz GURNBSWIJKARLX-INIZCTEOSA-N 2 2 330.388 2.897 10 5 EFBELP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609257830 480132053 /nfs/dbraw/zinc/13/20/53/480132053.db2.gz GURNBSWIJKARLX-INIZCTEOSA-N 2 2 330.388 2.897 10 5 EFBELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000361532765 475525144 /nfs/dbraw/zinc/52/51/44/475525144.db2.gz YXWOMXRTAWPYHF-CQSZACIVSA-N 2 2 342.399 2.882 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659966 476727437 /nfs/dbraw/zinc/72/74/37/476727437.db2.gz DVCKEISKEQMIOL-LRDDRELGSA-N 2 2 331.420 2.633 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659966 476727440 /nfs/dbraw/zinc/72/74/40/476727440.db2.gz DVCKEISKEQMIOL-LRDDRELGSA-N 2 2 331.420 2.633 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659966 476727447 /nfs/dbraw/zinc/72/74/47/476727447.db2.gz DVCKEISKEQMIOL-LRDDRELGSA-N 2 2 331.420 2.633 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659966 476727451 /nfs/dbraw/zinc/72/74/51/476727451.db2.gz DVCKEISKEQMIOL-LRDDRELGSA-N 2 2 331.420 2.633 10 5 EFBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423237003 476972609 /nfs/dbraw/zinc/97/26/09/476972609.db2.gz HTRIOZXQOHPGCU-SUMWQHHRSA-N 2 2 342.399 2.602 10 5 EFBELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548378 477010894 /nfs/dbraw/zinc/01/08/94/477010894.db2.gz HGHLSTOKPVXFAU-OWCLPIDISA-N 2 2 335.452 2.739 10 5 EFBELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447548378 477010900 /nfs/dbraw/zinc/01/09/00/477010900.db2.gz HGHLSTOKPVXFAU-OWCLPIDISA-N 2 2 335.452 2.739 10 5 EFBELP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423494185 477047939 /nfs/dbraw/zinc/04/79/39/477047939.db2.gz RXCWZCSUNKDZQD-RTBURBONSA-N 2 2 341.411 2.652 10 5 EFBELP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271312 477207020 /nfs/dbraw/zinc/20/70/20/477207020.db2.gz TVNDAAMODYHXEC-CRAIPNDOSA-N 2 2 347.459 2.754 10 5 EFBELP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)c2cc([N+](=O)[O-])ccc21 ZINC000453271312 477207028 /nfs/dbraw/zinc/20/70/28/477207028.db2.gz TVNDAAMODYHXEC-CRAIPNDOSA-N 2 2 347.459 2.754 10 5 EFBELP COCC[NH+]1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599026809 479130794 /nfs/dbraw/zinc/13/07/94/479130794.db2.gz GOLYDRLYJJRATO-UHFFFAOYSA-N 2 2 330.388 2.666 10 5 EFBELP C[NH+](C)CCC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000596567321 479342585 /nfs/dbraw/zinc/34/25/85/479342585.db2.gz SFSNNTVTSONCRO-MRXNPFEDSA-N 2 2 344.415 2.690 10 5 EFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599620363 479355446 /nfs/dbraw/zinc/35/54/46/479355446.db2.gz ZRTQRQITHDCQBL-HNNXBMFYSA-N 2 2 333.432 2.843 10 5 EFBELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407713 479370677 /nfs/dbraw/zinc/37/06/77/479370677.db2.gz MWFKGSQDIXYXHO-WBVHZDCISA-N 2 2 343.427 2.738 10 5 EFBELP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407710 479370739 /nfs/dbraw/zinc/37/07/39/479370739.db2.gz MWFKGSQDIXYXHO-DOTOQJQBSA-N 2 2 343.427 2.738 10 5 EFBELP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000610420514 480301915 /nfs/dbraw/zinc/30/19/15/480301915.db2.gz DMOGHUWAIDIKGW-HOCLYGCPSA-N 2 2 333.432 2.889 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000610581637 480343241 /nfs/dbraw/zinc/34/32/41/480343241.db2.gz FQFUIZHOPZYXFU-ZDUSSCGKSA-N 2 2 327.344 2.770 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000610581637 480343245 /nfs/dbraw/zinc/34/32/45/480343245.db2.gz FQFUIZHOPZYXFU-ZDUSSCGKSA-N 2 2 327.344 2.770 10 5 EFBELP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506115 1261804897 /nfs/dbraw/zinc/80/48/97/1261804897.db2.gz HHNPFSCAXGHLDL-CQSZACIVSA-N 2 2 333.432 2.902 10 5 EFBELP CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000870570732 1305404723 /nfs/dbraw/zinc/40/47/23/1305404723.db2.gz RJZSHHJNKYASPD-MRXNPFEDSA-N 2 2 346.387 2.524 10 5 EFBELP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001560234659 1415269882 /nfs/dbraw/zinc/26/98/82/1415269882.db2.gz LPEBLBNOVJHCAQ-CQSZACIVSA-N 2 2 346.435 2.622 10 5 EFBELP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001560234659 1415269884 /nfs/dbraw/zinc/26/98/84/1415269884.db2.gz LPEBLBNOVJHCAQ-CQSZACIVSA-N 2 2 346.435 2.622 10 5 EFBELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001560234658 1415269927 /nfs/dbraw/zinc/26/99/27/1415269927.db2.gz LPEBLBNOVJHCAQ-AWEZNQCLSA-N 2 2 346.435 2.622 10 5 EFBELP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001560234658 1415269929 /nfs/dbraw/zinc/26/99/29/1415269929.db2.gz LPEBLBNOVJHCAQ-AWEZNQCLSA-N 2 2 346.435 2.622 10 5 EFBELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644318 218239065 /nfs/dbraw/zinc/23/90/65/218239065.db2.gz CAZDXQAKJXRZKC-GXTWGEPZSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644318 218239067 /nfs/dbraw/zinc/23/90/67/218239067.db2.gz CAZDXQAKJXRZKC-GXTWGEPZSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644318 218239068 /nfs/dbraw/zinc/23/90/68/218239068.db2.gz CAZDXQAKJXRZKC-GXTWGEPZSA-N 2 2 337.420 2.527 10 5 EFBELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093644318 218239071 /nfs/dbraw/zinc/23/90/71/218239071.db2.gz CAZDXQAKJXRZKC-GXTWGEPZSA-N 2 2 337.420 2.527 10 5 EFBELP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)nc2c1 ZINC000267654108 251227858 /nfs/dbraw/zinc/22/78/58/251227858.db2.gz YHZNVWFGBSZUKD-UHFFFAOYSA-N 2 2 327.344 2.839 10 5 EFBELP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000342583583 145153514 /nfs/dbraw/zinc/15/35/14/145153514.db2.gz IAYYOYHNQUXJMS-UHFFFAOYSA-N 2 2 343.387 2.526 10 5 EFBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207617 151301438 /nfs/dbraw/zinc/30/14/38/151301438.db2.gz JNAPKGYVPYQMEH-GFCCVEGCSA-N 2 2 343.387 2.525 10 5 EFBELP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278044006 267328120 /nfs/dbraw/zinc/32/81/20/267328120.db2.gz XSBXOOZAWWOCPW-ZDUSSCGKSA-N 2 2 341.839 2.839 10 5 EFBELP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278044006 267328123 /nfs/dbraw/zinc/32/81/23/267328123.db2.gz XSBXOOZAWWOCPW-ZDUSSCGKSA-N 2 2 341.839 2.839 10 5 EFBELP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000271201114 273101961 /nfs/dbraw/zinc/10/19/61/273101961.db2.gz QMCILFOYYLPYQK-UHFFFAOYSA-N 2 2 346.387 2.715 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707210 276213894 /nfs/dbraw/zinc/21/38/94/276213894.db2.gz RJEQRHKYOCFJND-HUUCEWRRSA-N 2 2 348.447 2.504 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707210 276213895 /nfs/dbraw/zinc/21/38/95/276213895.db2.gz RJEQRHKYOCFJND-HUUCEWRRSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707210 276213896 /nfs/dbraw/zinc/21/38/96/276213896.db2.gz RJEQRHKYOCFJND-HUUCEWRRSA-N 2 2 348.447 2.504 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348707210 276213897 /nfs/dbraw/zinc/21/38/97/276213897.db2.gz RJEQRHKYOCFJND-HUUCEWRRSA-N 2 2 348.447 2.504 10 5 EFBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCCC2 ZINC000417349426 312212744 /nfs/dbraw/zinc/21/27/44/312212744.db2.gz LDGCRFVXEYVCII-IEBWSBKVSA-N 2 2 347.459 2.799 10 5 EFBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCCC2 ZINC000417349426 312212746 /nfs/dbraw/zinc/21/27/46/312212746.db2.gz LDGCRFVXEYVCII-IEBWSBKVSA-N 2 2 347.459 2.799 10 5 EFBELP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000075718685 472188356 /nfs/dbraw/zinc/18/83/56/472188356.db2.gz BFKBLJBTCJFVLQ-IRXDYDNUSA-N 2 2 346.475 2.758 10 5 EFBELP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000075718685 472188364 /nfs/dbraw/zinc/18/83/64/472188364.db2.gz BFKBLJBTCJFVLQ-IRXDYDNUSA-N 2 2 346.475 2.758 10 5 EFBELP CNc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000071792513 472566039 /nfs/dbraw/zinc/56/60/39/472566039.db2.gz AVOIRPNXGBUMAS-UHFFFAOYSA-N 2 2 338.371 2.507 10 5 EFBELP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000104718292 472687112 /nfs/dbraw/zinc/68/71/12/472687112.db2.gz HRZPHKQRZQXDJH-AWEZNQCLSA-N 2 2 342.399 2.882 10 5 EFBELP C[NH+]1CCC(CNc2ccccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000078457514 472718056 /nfs/dbraw/zinc/71/80/56/472718056.db2.gz RRUZCAUGANEFMG-UHFFFAOYSA-N 2 2 332.448 2.957 10 5 EFBELP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074767364 473059972 /nfs/dbraw/zinc/05/99/72/473059972.db2.gz MCYLDEFJMPVZBJ-UHFFFAOYSA-N 2 2 347.463 2.660 10 5 EFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755771 473117976 /nfs/dbraw/zinc/11/79/76/473117976.db2.gz RHWKAYTUDLTUOA-VQIMIIECSA-N 2 2 346.475 2.758 10 5 EFBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109755771 473117982 /nfs/dbraw/zinc/11/79/82/473117982.db2.gz RHWKAYTUDLTUOA-VQIMIIECSA-N 2 2 346.475 2.758 10 5 EFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755768 473118408 /nfs/dbraw/zinc/11/84/08/473118408.db2.gz RHWKAYTUDLTUOA-QFBILLFUSA-N 2 2 346.475 2.758 10 5 EFBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109755768 473118416 /nfs/dbraw/zinc/11/84/16/473118416.db2.gz RHWKAYTUDLTUOA-QFBILLFUSA-N 2 2 346.475 2.758 10 5 EFBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623625 474382612 /nfs/dbraw/zinc/38/26/12/474382612.db2.gz MVIVXIBHTRUGFP-WFASDCNBSA-N 2 2 339.411 2.905 10 5 EFBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623625 474382617 /nfs/dbraw/zinc/38/26/17/474382617.db2.gz MVIVXIBHTRUGFP-WFASDCNBSA-N 2 2 339.411 2.905 10 5 EFBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623625 474382627 /nfs/dbraw/zinc/38/26/27/474382627.db2.gz MVIVXIBHTRUGFP-WFASDCNBSA-N 2 2 339.411 2.905 10 5 EFBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623625 474382632 /nfs/dbraw/zinc/38/26/32/474382632.db2.gz MVIVXIBHTRUGFP-WFASDCNBSA-N 2 2 339.411 2.905 10 5 EFBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623623 474383183 /nfs/dbraw/zinc/38/31/83/474383183.db2.gz MVIVXIBHTRUGFP-SWLSCSKDSA-N 2 2 339.411 2.905 10 5 EFBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623623 474383188 /nfs/dbraw/zinc/38/31/88/474383188.db2.gz MVIVXIBHTRUGFP-SWLSCSKDSA-N 2 2 339.411 2.905 10 5 EFBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623623 474383193 /nfs/dbraw/zinc/38/31/93/474383193.db2.gz MVIVXIBHTRUGFP-SWLSCSKDSA-N 2 2 339.411 2.905 10 5 EFBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248623623 474383200 /nfs/dbraw/zinc/38/32/00/474383200.db2.gz MVIVXIBHTRUGFP-SWLSCSKDSA-N 2 2 339.411 2.905 10 5 EFBELP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000352545649 475399207 /nfs/dbraw/zinc/39/92/07/475399207.db2.gz KXNTUDWWCKJAJH-MRXNPFEDSA-N 2 2 333.432 2.911 10 5 EFBELP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000352545649 475399214 /nfs/dbraw/zinc/39/92/14/475399214.db2.gz KXNTUDWWCKJAJH-MRXNPFEDSA-N 2 2 333.432 2.911 10 5 EFBELP CC(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000449394983 477562585 /nfs/dbraw/zinc/56/25/85/477562585.db2.gz OVVPWZWHTKKZAG-MRXNPFEDSA-N 2 2 335.448 2.655 10 5 EFBELP CC(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000449394983 477562593 /nfs/dbraw/zinc/56/25/93/477562593.db2.gz OVVPWZWHTKKZAG-MRXNPFEDSA-N 2 2 335.448 2.655 10 5 EFBELP CC(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000449394982 477563133 /nfs/dbraw/zinc/56/31/33/477563133.db2.gz OVVPWZWHTKKZAG-INIZCTEOSA-N 2 2 335.448 2.655 10 5 EFBELP CC(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000449394982 477563138 /nfs/dbraw/zinc/56/31/38/477563138.db2.gz OVVPWZWHTKKZAG-INIZCTEOSA-N 2 2 335.448 2.655 10 5 EFBELP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000600754749 478504384 /nfs/dbraw/zinc/50/43/84/478504384.db2.gz HYYNXDUBZJUWPZ-OAHLLOKOSA-N 2 2 346.431 2.530 10 5 EFBELP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000600754749 478504389 /nfs/dbraw/zinc/50/43/89/478504389.db2.gz HYYNXDUBZJUWPZ-OAHLLOKOSA-N 2 2 346.431 2.530 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600776734 478514583 /nfs/dbraw/zinc/51/45/83/478514583.db2.gz RMHSTFDJYZNKQS-GXTWGEPZSA-N 2 2 331.338 2.862 10 5 EFBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600776734 478514590 /nfs/dbraw/zinc/51/45/90/478514590.db2.gz RMHSTFDJYZNKQS-GXTWGEPZSA-N 2 2 331.338 2.862 10 5 EFBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000595052794 478643854 /nfs/dbraw/zinc/64/38/54/478643854.db2.gz AFXTWSBMZPQTSW-BBRMVZONSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000595052794 478643861 /nfs/dbraw/zinc/64/38/61/478643861.db2.gz AFXTWSBMZPQTSW-BBRMVZONSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000595054242 478644074 /nfs/dbraw/zinc/64/40/74/478644074.db2.gz OIGKJHGUHUBZJU-CZUORRHYSA-N 2 2 348.447 2.774 10 5 EFBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000595054242 478644084 /nfs/dbraw/zinc/64/40/84/478644084.db2.gz OIGKJHGUHUBZJU-CZUORRHYSA-N 2 2 348.447 2.774 10 5 EFBELP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000595512556 478828647 /nfs/dbraw/zinc/82/86/47/478828647.db2.gz TUSWJMBFLYDAND-OAHLLOKOSA-N 2 2 335.448 2.728 10 5 EFBELP COCC[N@@H+]1CCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599040572 479135350 /nfs/dbraw/zinc/13/53/50/479135350.db2.gz KEKZSSQNKSJIRD-AWEZNQCLSA-N 2 2 330.388 2.666 10 5 EFBELP COCC[N@H+]1CCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599040572 479135357 /nfs/dbraw/zinc/13/53/57/479135357.db2.gz KEKZSSQNKSJIRD-AWEZNQCLSA-N 2 2 330.388 2.666 10 5 EFBELP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000610420512 480301419 /nfs/dbraw/zinc/30/14/19/480301419.db2.gz DMOGHUWAIDIKGW-GDBMZVCRSA-N 2 2 333.432 2.889 10 5 EFBELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230118 533794411 /nfs/dbraw/zinc/79/44/11/533794411.db2.gz NESYONRCNIJBOP-AAEUAGOBSA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230118 533794415 /nfs/dbraw/zinc/79/44/15/533794415.db2.gz NESYONRCNIJBOP-AAEUAGOBSA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230118 533794418 /nfs/dbraw/zinc/79/44/18/533794418.db2.gz NESYONRCNIJBOP-AAEUAGOBSA-N 2 2 325.384 2.657 10 5 EFBELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184230118 533794423 /nfs/dbraw/zinc/79/44/23/533794423.db2.gz NESYONRCNIJBOP-AAEUAGOBSA-N 2 2 325.384 2.657 10 5 EFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176075775 715112627 /nfs/dbraw/zinc/11/26/27/715112627.db2.gz ADROXIBNIQFMDJ-INIZCTEOSA-N 2 2 340.387 2.572 10 5 EFBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176075775 715112629 /nfs/dbraw/zinc/11/26/29/715112629.db2.gz ADROXIBNIQFMDJ-INIZCTEOSA-N 2 2 340.387 2.572 10 5 EFBELP