smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965684 969317557 /nfs/dbraw/zinc/31/75/57/969317557.db2.gz BYIOXJAFKRBKFS-VXGBXAGGSA-N 1 1 243.351 1.491 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009671 969333411 /nfs/dbraw/zinc/33/34/11/969333411.db2.gz XCIULFPSKWZYKC-WHOHXGKFSA-N 1 1 242.319 1.541 20 5 BDBDMO C[N@@H+](CC1COC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033280 969351741 /nfs/dbraw/zinc/35/17/41/969351741.db2.gz BRRHHUMGOALIBB-GXSJLCMTSA-N 1 1 228.292 1.010 20 5 BDBDMO CC(C)[N@@H+](CCCO)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037156 969356756 /nfs/dbraw/zinc/35/67/56/969356756.db2.gz QYOMLZVSUSOAKY-RYUDHWBXSA-N 1 1 244.335 1.525 20 5 BDBDMO O=C1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169021007 969362727 /nfs/dbraw/zinc/36/27/27/969362727.db2.gz NECWRFHFADIJHN-MNOVXSKESA-N 1 1 240.303 1.487 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233855625 978712606 /nfs/dbraw/zinc/71/26/06/978712606.db2.gz UUSMYCUWILMDAM-SECBINFHSA-N 1 1 223.232 1.073 20 5 BDBDMO C[N+](C)(C)CCCOC1CCN(CCF)CC1 ZINC001224624354 973807400 /nfs/dbraw/zinc/80/74/00/973807400.db2.gz VOSHQTQJWFSCEC-UHFFFAOYSA-N 1 1 247.378 1.533 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC2(F)F)C1 ZINC001168961709 969312757 /nfs/dbraw/zinc/31/27/57/969312757.db2.gz JXJUYTGEBUNNMN-BWZBUEFSSA-N 1 1 220.219 1.429 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2Cc3cncnc3C2)C1 ZINC001169008693 969335029 /nfs/dbraw/zinc/33/50/29/969335029.db2.gz UBLFMQUYRYJNTI-KOLCDFICSA-N 1 1 248.286 1.238 20 5 BDBDMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169010245 969337360 /nfs/dbraw/zinc/33/73/60/969337360.db2.gz BSAFAKNWVIETFM-ZNSHCXBVSA-N 1 1 230.283 1.722 20 5 BDBDMO CO[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010159 969339231 /nfs/dbraw/zinc/33/92/31/969339231.db2.gz ZDVNQAVKLBVPAV-IJLUTSLNSA-N 1 1 242.319 1.543 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC001169011295 969339250 /nfs/dbraw/zinc/33/92/50/969339250.db2.gz JOAVYPQIZYUIRB-NNYUYHANSA-N 1 1 240.303 1.010 20 5 BDBDMO CC[N@@H+](CC(C)(C)O)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035198 969354129 /nfs/dbraw/zinc/35/41/29/969354129.db2.gz BKAKWTUBNVSRAZ-MNOVXSKESA-N 1 1 244.335 1.525 20 5 BDBDMO C[N@@H+](CC1(C)COC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034590 969354452 /nfs/dbraw/zinc/35/44/52/969354452.db2.gz IEKAUAXVRIILSQ-MNOVXSKESA-N 1 1 242.319 1.400 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001169037082 969357762 /nfs/dbraw/zinc/35/77/62/969357762.db2.gz IRGZCARUSWZWQU-NOOOWODRSA-N 1 1 240.303 1.153 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001169024435 969364724 /nfs/dbraw/zinc/36/47/24/969364724.db2.gz HAYYLLRBQLTWTB-WTPMCQDGSA-N 1 1 242.294 1.864 20 5 BDBDMO CCO[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047882 969364807 /nfs/dbraw/zinc/36/48/07/969364807.db2.gz SFNADFBKQBBIGB-IJLUTSLNSA-N 1 1 242.319 1.543 20 5 BDBDMO CC(=O)C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600631 969744546 /nfs/dbraw/zinc/74/45/46/969744546.db2.gz UAUXQXVKNCROFQ-CYBMUJFWSA-N 1 1 248.282 1.583 20 5 BDBDMO CC(=O)C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600631 969744555 /nfs/dbraw/zinc/74/45/55/969744555.db2.gz UAUXQXVKNCROFQ-CYBMUJFWSA-N 1 1 248.282 1.583 20 5 BDBDMO C[N@H+]1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988142 975834224 /nfs/dbraw/zinc/83/42/24/975834224.db2.gz PFTKNMLCVROVSD-JTQLQIEISA-N 1 1 237.259 1.463 20 5 BDBDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC[N+](=O)[O-])C1 ZINC001334069139 976271664 /nfs/dbraw/zinc/27/16/64/976271664.db2.gz DXNDBVGWYALMLY-CMPLNLGQSA-N 1 1 235.287 1.741 20 5 BDBDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC[N+](=O)[O-])C1 ZINC001334069139 976271686 /nfs/dbraw/zinc/27/16/86/976271686.db2.gz DXNDBVGWYALMLY-CMPLNLGQSA-N 1 1 235.287 1.741 20 5 BDBDMO CC(C)n1cc([C@H](C)[NH2+]CC[N+](=O)[O-])cn1 ZINC001337778471 978494857 /nfs/dbraw/zinc/49/48/57/978494857.db2.gz OJDZSBQSRVFSLH-VIFPVBQESA-N 1 1 226.280 1.391 20 5 BDBDMO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000716460747 979831424 /nfs/dbraw/zinc/83/14/24/979831424.db2.gz VWYFMXOHOOIUHK-UHFFFAOYSA-N 1 1 246.270 1.916 20 5 BDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC001345667445 980667324 /nfs/dbraw/zinc/66/73/24/980667324.db2.gz JUHFXZGMPOVTPD-SNVBAGLBSA-N 1 1 244.291 1.069 20 5 BDBDMO Cc1c[nH]c(Nc2c([N+](=O)[O-])ncn2C)[nH+]1 ZINC001458240854 985281812 /nfs/dbraw/zinc/28/18/12/985281812.db2.gz DPNILOHUWMOJQK-UHFFFAOYSA-N 1 1 222.208 1.103 20 5 BDBDMO Cc1cc(NCC(F)(F)C[NH3+])ccc1[N+](=O)[O-] ZINC000162687301 178156772 /nfs/dbraw/zinc/15/67/72/178156772.db2.gz LRVXGTKHHAQITD-UHFFFAOYSA-N 1 1 245.229 1.909 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183252322 178271205 /nfs/dbraw/zinc/27/12/05/178271205.db2.gz KWCXPWJJFVVADO-GFCCVEGCSA-N 1 1 236.271 1.470 20 5 BDBDMO CC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602833590 349768729 /nfs/dbraw/zinc/76/87/29/349768729.db2.gz XIKNCCVPWSNWES-UHFFFAOYSA-N 1 1 236.271 1.658 20 5 BDBDMO CC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602833590 349768732 /nfs/dbraw/zinc/76/87/32/349768732.db2.gz XIKNCCVPWSNWES-UHFFFAOYSA-N 1 1 236.271 1.658 20 5 BDBDMO COCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000046783870 343550166 /nfs/dbraw/zinc/55/01/66/343550166.db2.gz XJWYQYPPZWXECY-UHFFFAOYSA-N 1 1 224.260 1.673 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000610762458 344151772 /nfs/dbraw/zinc/15/17/72/344151772.db2.gz GLKRWAYKZXWIPK-GXSJLCMTSA-N 1 1 236.275 1.276 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC=CCC2)c1 ZINC000611517498 344749635 /nfs/dbraw/zinc/74/96/35/344749635.db2.gz JFDXCHOAPPCJMP-UHFFFAOYSA-N 1 1 222.248 1.053 20 5 BDBDMO C[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595394571 348237541 /nfs/dbraw/zinc/23/75/41/348237541.db2.gz CXKKLNQIYJSUSS-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595394571 348237542 /nfs/dbraw/zinc/23/75/42/348237542.db2.gz CXKKLNQIYJSUSS-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO Cn1c[nH+]cc1CCOc1ccccc1[N+](=O)[O-] ZINC000596238313 348483224 /nfs/dbraw/zinc/48/32/24/348483224.db2.gz HCWVPYARLIBEKZ-UHFFFAOYSA-N 1 1 247.254 1.950 20 5 BDBDMO Cc1nn(CCn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000270647050 180389410 /nfs/dbraw/zinc/38/94/10/180389410.db2.gz KVOOTECWYAZGFH-UHFFFAOYSA-N 1 1 249.274 1.613 20 5 BDBDMO [NH3+]Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000584350325 356064172 /nfs/dbraw/zinc/06/41/72/356064172.db2.gz CUEPANFHBWMIKO-UHFFFAOYSA-N 1 1 248.242 1.222 20 5 BDBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000035792502 359454625 /nfs/dbraw/zinc/45/46/25/359454625.db2.gz QFROJHZMIHUFBJ-JGVFFNPUSA-N 1 1 237.259 1.119 20 5 BDBDMO [NH3+]CC(F)(F)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000162662493 181357510 /nfs/dbraw/zinc/35/75/10/181357510.db2.gz IKXIUENNWKWOPG-UHFFFAOYSA-N 1 1 249.192 1.740 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[NH+]1CC(CCO)C1 ZINC000459599494 203311151 /nfs/dbraw/zinc/31/11/51/203311151.db2.gz ZBOZDIRLYKBIPW-UHFFFAOYSA-N 1 1 236.271 1.409 20 5 BDBDMO C[C@H](C1CC1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157811398 326296519 /nfs/dbraw/zinc/29/65/19/326296519.db2.gz RVPMZYJEBFHDQU-SECBINFHSA-N 1 1 238.291 1.522 20 5 BDBDMO Cc1c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092155 371867792 /nfs/dbraw/zinc/86/77/92/371867792.db2.gz TTWBEBWMMYBIKH-DGCLKSJQSA-N 1 1 248.282 1.470 20 5 BDBDMO CC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000602803271 371842117 /nfs/dbraw/zinc/84/21/17/371842117.db2.gz BHQQQWOGJKSGLI-SECBINFHSA-N 1 1 222.244 1.834 20 5 BDBDMO O=C(NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000337299588 182185771 /nfs/dbraw/zinc/18/57/71/182185771.db2.gz VNYSPAUHVVSNOC-UHFFFAOYSA-N 1 1 249.270 1.030 20 5 BDBDMO CC[N@@H+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000288630457 383930503 /nfs/dbraw/zinc/93/05/03/383930503.db2.gz YLLGDKLYILJPMS-UHFFFAOYSA-N 1 1 238.291 1.541 20 5 BDBDMO C[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000178021732 384194818 /nfs/dbraw/zinc/19/48/18/384194818.db2.gz WIMAJICTUPDPNT-LBPRGKRZSA-N 1 1 236.271 1.552 20 5 BDBDMO C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157346104 384374136 /nfs/dbraw/zinc/37/41/36/384374136.db2.gz QYUGFAZHVDVNPA-SNVBAGLBSA-N 1 1 238.291 1.666 20 5 BDBDMO CC[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049754375 384563852 /nfs/dbraw/zinc/56/38/52/384563852.db2.gz MVEXZHREBXQZII-UHFFFAOYSA-N 1 1 224.260 1.409 20 5 BDBDMO Cc1c(C[N@H+](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000135506098 385033082 /nfs/dbraw/zinc/03/30/82/385033082.db2.gz FCTIFWBQSIXTAM-VIFPVBQESA-N 1 1 238.287 1.716 20 5 BDBDMO C[C@H](C[NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000310496903 385091814 /nfs/dbraw/zinc/09/18/14/385091814.db2.gz ILCKLVWAURJUPZ-NXEZZACHSA-N 1 1 237.303 1.840 20 5 BDBDMO C[N@H+]1CCCC[C@@H]1CCn1cnc([N+](=O)[O-])n1 ZINC000408014570 385405868 /nfs/dbraw/zinc/40/58/68/385405868.db2.gz PTAFPUUSAFWLHW-SECBINFHSA-N 1 1 239.279 1.061 20 5 BDBDMO CO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000267616588 387024144 /nfs/dbraw/zinc/02/41/44/387024144.db2.gz CPBCIFPJYSDKCC-LBPRGKRZSA-N 1 1 236.271 1.816 20 5 BDBDMO CC(C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000054128199 387347567 /nfs/dbraw/zinc/34/75/67/387347567.db2.gz FQZSVEOCOSGRIG-UHFFFAOYSA-N 1 1 239.279 1.137 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000548097560 388095689 /nfs/dbraw/zinc/09/56/89/388095689.db2.gz PWDQDCHGIKWRTG-DTORHVGOSA-N 1 1 224.264 1.274 20 5 BDBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH3+] ZINC000592427562 388158577 /nfs/dbraw/zinc/15/85/77/388158577.db2.gz CFFSDMFPHDKMPF-QPJJXVBHSA-N 1 1 249.314 1.889 20 5 BDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](O)C1 ZINC000271050335 388371102 /nfs/dbraw/zinc/37/11/02/388371102.db2.gz VOYXZLJJQZSHPZ-OGOUPESXSA-N 1 1 248.282 1.675 20 5 BDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CO)C2)cs1 ZINC000164320851 388390538 /nfs/dbraw/zinc/39/05/38/388390538.db2.gz IEFUGAUVNPWPIX-MRVPVSSYSA-N 1 1 242.300 1.471 20 5 BDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CO)C2)cs1 ZINC000164320851 388390541 /nfs/dbraw/zinc/39/05/41/388390541.db2.gz IEFUGAUVNPWPIX-MRVPVSSYSA-N 1 1 242.300 1.471 20 5 BDBDMO CC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774360 388393387 /nfs/dbraw/zinc/39/33/87/388393387.db2.gz YLARDOVRAKIUBM-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO [NH3+][C@H]1CCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422781980 388686730 /nfs/dbraw/zinc/68/67/30/388686730.db2.gz FSWMYQLAQJYTFK-RYUDHWBXSA-N 1 1 249.314 1.607 20 5 BDBDMO N[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422781980 388686732 /nfs/dbraw/zinc/68/67/32/388686732.db2.gz FSWMYQLAQJYTFK-RYUDHWBXSA-N 1 1 249.314 1.607 20 5 BDBDMO CC[C@@H](CO)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000449375838 388748518 /nfs/dbraw/zinc/74/85/18/388748518.db2.gz JOLPOWLMBHVZTE-VIFPVBQESA-N 1 1 244.316 1.859 20 5 BDBDMO CC[C@@H](CO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000449375838 388748520 /nfs/dbraw/zinc/74/85/20/388748520.db2.gz JOLPOWLMBHVZTE-VIFPVBQESA-N 1 1 244.316 1.859 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)C2)cc1F ZINC000094774772 388755241 /nfs/dbraw/zinc/75/52/41/388755241.db2.gz UAKHLFKOGVWJLX-VIFPVBQESA-N 1 1 240.234 1.301 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000094774772 388755243 /nfs/dbraw/zinc/75/52/43/388755243.db2.gz UAKHLFKOGVWJLX-VIFPVBQESA-N 1 1 240.234 1.301 20 5 BDBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000332737648 388799888 /nfs/dbraw/zinc/79/98/88/388799888.db2.gz XCKPYKAGAPFASO-APPZFPTMSA-N 1 1 242.300 1.611 20 5 BDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000332737648 388799892 /nfs/dbraw/zinc/79/98/92/388799892.db2.gz XCKPYKAGAPFASO-APPZFPTMSA-N 1 1 242.300 1.611 20 5 BDBDMO CC[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331021069 388764038 /nfs/dbraw/zinc/76/40/38/388764038.db2.gz YBIXYGFRDBEGGX-JTQLQIEISA-N 1 1 238.291 1.666 20 5 BDBDMO C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000282810802 388819673 /nfs/dbraw/zinc/81/96/73/388819673.db2.gz PDCMQLMYUGTFMP-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000282810802 388819676 /nfs/dbraw/zinc/81/96/76/388819676.db2.gz PDCMQLMYUGTFMP-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO C[N@H+]1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000049100026 173033278 /nfs/dbraw/zinc/03/32/78/173033278.db2.gz GRJBMPZVWWMFOG-SECBINFHSA-N 1 1 236.275 1.496 20 5 BDBDMO C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176286234 176108880 /nfs/dbraw/zinc/10/88/80/176108880.db2.gz QSFSJZDEWMRLET-SECBINFHSA-N 1 1 224.264 1.276 20 5 BDBDMO C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174881791 176109068 /nfs/dbraw/zinc/10/90/68/176109068.db2.gz KQHBMNINHDWEME-SECBINFHSA-N 1 1 224.264 1.276 20 5 BDBDMO C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000725780059 582848342 /nfs/dbraw/zinc/84/83/42/582848342.db2.gz WIOFVOCQIHABFH-QMMMGPOBSA-N 1 1 210.237 1.091 20 5 BDBDMO C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000725780059 582848343 /nfs/dbraw/zinc/84/83/43/582848343.db2.gz WIOFVOCQIHABFH-QMMMGPOBSA-N 1 1 210.237 1.091 20 5 BDBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000893940782 583254757 /nfs/dbraw/zinc/25/47/57/583254757.db2.gz QBFYRGOZOXSOBW-ZWNOBZJWSA-N 1 1 247.298 1.735 20 5 BDBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1)C1CC1 ZINC000791052659 583384209 /nfs/dbraw/zinc/38/42/09/583384209.db2.gz ABPQDXORSNWOOX-UHFFFAOYSA-N 1 1 220.272 1.928 20 5 BDBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000791052659 583384210 /nfs/dbraw/zinc/38/42/10/583384210.db2.gz ABPQDXORSNWOOX-UHFFFAOYSA-N 1 1 220.272 1.928 20 5 BDBDMO C[C@H]1C[N@H+](CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000791053015 583385277 /nfs/dbraw/zinc/38/52/77/583385277.db2.gz RVOSFJAIOZJQIA-CMPLNLGQSA-N 1 1 220.272 1.956 20 5 BDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000791053015 583385280 /nfs/dbraw/zinc/38/52/80/583385280.db2.gz RVOSFJAIOZJQIA-CMPLNLGQSA-N 1 1 220.272 1.956 20 5 BDBDMO O=[N+]([O-])c1ccc(N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC000894995808 583565944 /nfs/dbraw/zinc/56/59/44/583565944.db2.gz GQORMFSYAXDAFQ-VIFPVBQESA-N 1 1 245.242 1.223 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000895769350 583724026 /nfs/dbraw/zinc/72/40/26/583724026.db2.gz CAYWRUCNKAMXCB-VIFPVBQESA-N 1 1 236.275 1.293 20 5 BDBDMO CC(C)[C@H]1[N@@H+](CC[N+](=O)[O-])CC12CC=CC2 ZINC000899891510 584246378 /nfs/dbraw/zinc/24/63/78/584246378.db2.gz PTDGQQJCNVKICB-LLVKDONJSA-N 1 1 224.304 1.940 20 5 BDBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886218619 585115405 /nfs/dbraw/zinc/11/54/05/585115405.db2.gz ZHMFAPJKHWYUKA-RKDXNWHRSA-N 1 1 221.260 1.830 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886218619 585115406 /nfs/dbraw/zinc/11/54/06/585115406.db2.gz ZHMFAPJKHWYUKA-RKDXNWHRSA-N 1 1 221.260 1.830 20 5 BDBDMO CCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579878 585701099 /nfs/dbraw/zinc/70/10/99/585701099.db2.gz PLBIXTGVKIQIRW-GFCCVEGCSA-N 1 1 238.287 1.970 20 5 BDBDMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000798194898 586139559 /nfs/dbraw/zinc/13/95/59/586139559.db2.gz BKJNTTVKRYSOKA-NSHDSACASA-N 1 1 223.276 1.439 20 5 BDBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000798194898 586139560 /nfs/dbraw/zinc/13/95/60/586139560.db2.gz BKJNTTVKRYSOKA-NSHDSACASA-N 1 1 223.276 1.439 20 5 BDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813104203 586592550 /nfs/dbraw/zinc/59/25/50/586592550.db2.gz YABOUQXGMRJTIB-VHSXEESVSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813104203 586592551 /nfs/dbraw/zinc/59/25/51/586592551.db2.gz YABOUQXGMRJTIB-VHSXEESVSA-N 1 1 244.291 1.069 20 5 BDBDMO Cc1c(Cc2noc(C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822861208 587189706 /nfs/dbraw/zinc/18/97/06/587189706.db2.gz BLAGQSWXWVKVOU-UHFFFAOYSA-N 1 1 248.242 1.336 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C)[NH3+])n1 ZINC000843187652 588091048 /nfs/dbraw/zinc/09/10/48/588091048.db2.gz SAWSLMHFFYMROQ-ZETCQYMHSA-N 1 1 248.242 1.973 20 5 BDBDMO Cn1cc(C[N@H+]2CC[C@H](CF)C2)c([N+](=O)[O-])n1 ZINC000880301677 590998072 /nfs/dbraw/zinc/99/80/72/590998072.db2.gz WRCXCCRWEUWYMZ-MRVPVSSYSA-N 1 1 242.254 1.120 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC=C[C@@H]2CO)cc1 ZINC000880485765 591062002 /nfs/dbraw/zinc/06/20/02/591062002.db2.gz KUKBGNIHGUEAPT-GFCCVEGCSA-N 1 1 234.255 1.328 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C[C@@H]2CO)cc1 ZINC000880485765 591062007 /nfs/dbraw/zinc/06/20/07/591062007.db2.gz KUKBGNIHGUEAPT-GFCCVEGCSA-N 1 1 234.255 1.328 20 5 BDBDMO CC(C)[N@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000885963946 592116907 /nfs/dbraw/zinc/11/69/07/592116907.db2.gz SVLOSCHTVLYXST-UHFFFAOYSA-N 1 1 239.275 1.193 20 5 BDBDMO CC(C)[N@@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000885963946 592116908 /nfs/dbraw/zinc/11/69/08/592116908.db2.gz SVLOSCHTVLYXST-UHFFFAOYSA-N 1 1 239.275 1.193 20 5 BDBDMO CSC[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000308299565 631274056 /nfs/dbraw/zinc/27/40/56/631274056.db2.gz JPQWTRBMNASNPK-QMMMGPOBSA-N 1 1 204.295 1.091 20 5 BDBDMO COc1c(O)ccc(C[NH2+]CCF)c1[N+](=O)[O-] ZINC000894218508 635753206 /nfs/dbraw/zinc/75/32/06/635753206.db2.gz CFTFVEJKJJIWIM-UHFFFAOYSA-N 1 1 244.222 1.368 20 5 BDBDMO Cc1ccc2c(c1)[C@H]([NH2+]CC[N+](=O)[O-])CO2 ZINC000905167902 637680321 /nfs/dbraw/zinc/68/03/21/637680321.db2.gz WTXNODLAULARSL-SNVBAGLBSA-N 1 1 222.244 1.295 20 5 BDBDMO CO[C@]1(C)CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000930286104 639681955 /nfs/dbraw/zinc/68/19/55/639681955.db2.gz NRFNALNCGSXVEI-SNVBAGLBSA-N 1 1 216.281 1.154 20 5 BDBDMO O=[N+]([O-])CC[N@@H+](CC1CC1)CC1CCC1 ZINC000930299384 639690963 /nfs/dbraw/zinc/69/09/63/639690963.db2.gz YIGCFTTZCMKWFU-UHFFFAOYSA-N 1 1 212.293 1.775 20 5 BDBDMO C[N@H+]1CC[C@H](NCC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000930356921 639726960 /nfs/dbraw/zinc/72/69/60/639726960.db2.gz LJBNILKZKVULEA-QWHCGFSZSA-N 1 1 249.314 1.298 20 5 BDBDMO CN1CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000930356921 639726969 /nfs/dbraw/zinc/72/69/69/639726969.db2.gz LJBNILKZKVULEA-QWHCGFSZSA-N 1 1 249.314 1.298 20 5 BDBDMO CCOC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930696315 639864966 /nfs/dbraw/zinc/86/49/66/639864966.db2.gz FNRJBOPLUCRRBU-SNVBAGLBSA-N 1 1 216.281 1.154 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCSC[C@H]1C1CCC1 ZINC000930745155 639891761 /nfs/dbraw/zinc/89/17/61/639891761.db2.gz RNKRUELDGSOQHW-JTQLQIEISA-N 1 1 230.333 1.481 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000930810010 639912529 /nfs/dbraw/zinc/91/25/29/639912529.db2.gz FEOMQZSVCQIYLM-QWRGUYRKSA-N 1 1 228.292 1.154 20 5 BDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CCc2ccccc21 ZINC000930856886 639950784 /nfs/dbraw/zinc/95/07/84/639950784.db2.gz LKDQVVPZSBCYTO-LLVKDONJSA-N 1 1 234.299 1.925 20 5 BDBDMO CC(C)C[N@H+](CC[N+](=O)[O-])Cc1ccccn1 ZINC000932446117 640528695 /nfs/dbraw/zinc/52/86/95/640528695.db2.gz HZYQUMOJSRMOGD-UHFFFAOYSA-N 1 1 237.303 1.816 20 5 BDBDMO CC(C)C[N@@H+](CC[N+](=O)[O-])Cc1ccccn1 ZINC000932446117 640528702 /nfs/dbraw/zinc/52/87/02/640528702.db2.gz HZYQUMOJSRMOGD-UHFFFAOYSA-N 1 1 237.303 1.816 20 5 BDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]1CO ZINC000934022883 640809194 /nfs/dbraw/zinc/80/91/94/640809194.db2.gz APRXPZYTADCAKY-UWVGGRQHSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]1CO ZINC000934022883 640809196 /nfs/dbraw/zinc/80/91/96/640809196.db2.gz APRXPZYTADCAKY-UWVGGRQHSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1cncs1 ZINC000934194820 641096536 /nfs/dbraw/zinc/09/65/36/641096536.db2.gz BTICTMSAQYMAKW-LURJTMIESA-N 1 1 201.251 1.070 20 5 BDBDMO C[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173527037 641181867 /nfs/dbraw/zinc/18/18/67/641181867.db2.gz QEKBQVZMNZEPRX-QMMMGPOBSA-N 1 1 210.237 1.233 20 5 BDBDMO C[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173527037 641181872 /nfs/dbraw/zinc/18/18/72/641181872.db2.gz QEKBQVZMNZEPRX-QMMMGPOBSA-N 1 1 210.237 1.233 20 5 BDBDMO C[C@@H](C[N@@H+](C)CC[N+](=O)[O-])c1ccccc1 ZINC000929490604 641333436 /nfs/dbraw/zinc/33/34/36/641333436.db2.gz NZEYRDWENGQGPR-NSHDSACASA-N 1 1 222.288 1.999 20 5 BDBDMO CC(C)[N@@H+](CC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000915207946 641809761 /nfs/dbraw/zinc/80/97/61/641809761.db2.gz JLKWOYBIIPREKE-UHFFFAOYSA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000014193752 642884435 /nfs/dbraw/zinc/88/44/35/642884435.db2.gz DNIYFFLZVVWIJH-SECBINFHSA-N 1 1 224.264 1.481 20 5 BDBDMO C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000014193752 642884438 /nfs/dbraw/zinc/88/44/38/642884438.db2.gz DNIYFFLZVVWIJH-SECBINFHSA-N 1 1 224.264 1.481 20 5 BDBDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC000929274028 646032641 /nfs/dbraw/zinc/03/26/41/646032641.db2.gz PQDOWASVIDJYDK-ZJUUUORDSA-N 1 1 200.282 1.774 20 5 BDBDMO COCC[N@@H+](CC[N+](=O)[O-])C1CCCC1 ZINC000929330944 646086038 /nfs/dbraw/zinc/08/60/38/646086038.db2.gz GEQLTNJAWGFIEH-UHFFFAOYSA-N 1 1 216.281 1.154 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000929600107 646193005 /nfs/dbraw/zinc/19/30/05/646193005.db2.gz ZDYFGJPWIAJPHD-JTQLQIEISA-N 1 1 238.262 1.892 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000929600107 646193011 /nfs/dbraw/zinc/19/30/11/646193011.db2.gz ZDYFGJPWIAJPHD-JTQLQIEISA-N 1 1 238.262 1.892 20 5 BDBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000929841785 646351848 /nfs/dbraw/zinc/35/18/48/646351848.db2.gz PHWIUSASHWFCTB-GHMZBOCLSA-N 1 1 242.319 1.543 20 5 BDBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000929841791 646354689 /nfs/dbraw/zinc/35/46/89/646354689.db2.gz PHWIUSASHWFCTB-WDEREUQCSA-N 1 1 242.319 1.543 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000929891779 646368812 /nfs/dbraw/zinc/36/88/12/646368812.db2.gz RLVUSQNFAQVKSG-GFCCVEGCSA-N 1 1 236.271 1.806 20 5 BDBDMO CC(C)[N@@H+](CC[N+](=O)[O-])C1CCOCC1 ZINC000929995086 646386732 /nfs/dbraw/zinc/38/67/32/646386732.db2.gz YMZOPUAGDZZEHU-UHFFFAOYSA-N 1 1 216.281 1.153 20 5 BDBDMO CC(C)(C)C1=CC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000930103108 646435750 /nfs/dbraw/zinc/43/57/50/646435750.db2.gz SXWHFICJVOMOHS-UHFFFAOYSA-N 1 1 212.293 1.941 20 5 BDBDMO C[C@@H]([NH2+][C@@H]1CNOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925863219 646516126 /nfs/dbraw/zinc/51/61/26/646516126.db2.gz AGNIXWPMIHJUBM-PSASIEDQSA-N 1 1 237.259 1.149 20 5 BDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000712596167 712436175 /nfs/dbraw/zinc/43/61/75/712436175.db2.gz UJSDJODLEPFTRT-SECBINFHSA-N 1 1 236.275 1.496 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000712619681 712438548 /nfs/dbraw/zinc/43/85/48/712438548.db2.gz YZGCGAGLSLJRFA-QMMMGPOBSA-N 1 1 239.250 1.850 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000712619681 712438549 /nfs/dbraw/zinc/43/85/49/712438549.db2.gz YZGCGAGLSLJRFA-QMMMGPOBSA-N 1 1 239.250 1.850 20 5 BDBDMO C[C@@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719580365 712812596 /nfs/dbraw/zinc/81/25/96/712812596.db2.gz RKNNVJLPBIWBPU-RKDXNWHRSA-N 1 1 236.275 1.494 20 5 BDBDMO C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009662 969333156 /nfs/dbraw/zinc/33/31/56/969333156.db2.gz WYDXQVJMPCPZEN-OUAUKWLOSA-N 1 1 212.293 1.916 20 5 BDBDMO C[C@@H]1COCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007700 969333172 /nfs/dbraw/zinc/33/31/72/969333172.db2.gz PMCPJQUYMZNWBZ-MXWKQRLJSA-N 1 1 228.292 1.153 20 5 BDBDMO C[N+](C)(C)CCOC1CCN(CCF)CC1 ZINC001224771983 973936361 /nfs/dbraw/zinc/93/63/61/973936361.db2.gz VGJCBMULPJCZQQ-UHFFFAOYSA-N 1 1 233.351 1.143 20 5 BDBDMO CO[C@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006415 969328716 /nfs/dbraw/zinc/32/87/16/969328716.db2.gz HZWFFJUTNIFJHC-ZNSHCXBVSA-N 1 1 246.282 1.101 20 5 BDBDMO CO[C@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006413 969330902 /nfs/dbraw/zinc/33/09/02/969330902.db2.gz HZWFFJUTNIFJHC-RCWTZXSCSA-N 1 1 246.282 1.101 20 5 BDBDMO COC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006308 969331777 /nfs/dbraw/zinc/33/17/77/969331777.db2.gz GSRFZMOBPDKMCP-TUAOUCFPSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009839 969335834 /nfs/dbraw/zinc/33/58/34/969335834.db2.gz YMCHWKGCABALLR-AAEUAGOBSA-N 1 1 249.314 1.959 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1O ZINC001169010657 969338318 /nfs/dbraw/zinc/33/83/18/969338318.db2.gz FHRLDSCGKXICSB-KKOKHZNYSA-N 1 1 242.319 1.135 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC3(COC3)C2)C1 ZINC001169010706 969338431 /nfs/dbraw/zinc/33/84/31/969338431.db2.gz FRNZTQIFOTWNST-QWRGUYRKSA-N 1 1 240.303 1.154 20 5 BDBDMO C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033940 969353479 /nfs/dbraw/zinc/35/34/79/969353479.db2.gz DVIKJJUTHFWSSK-WISYIIOYSA-N 1 1 242.319 1.277 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001169036806 969358004 /nfs/dbraw/zinc/35/80/04/969358004.db2.gz HKQIFNYKXXSNHR-UHFZAUJKSA-N 1 1 242.294 1.579 20 5 BDBDMO CC(=O)C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600632 969743396 /nfs/dbraw/zinc/74/33/96/969743396.db2.gz UAUXQXVKNCROFQ-ZDUSSCGKSA-N 1 1 248.282 1.583 20 5 BDBDMO CC(=O)C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600632 969743404 /nfs/dbraw/zinc/74/34/04/969743404.db2.gz UAUXQXVKNCROFQ-ZDUSSCGKSA-N 1 1 248.282 1.583 20 5 BDBDMO Cn1cc[nH+]c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210392124 969882757 /nfs/dbraw/zinc/88/27/57/969882757.db2.gz BOZLNSHCADNCKI-UHFFFAOYSA-N 1 1 234.215 1.778 20 5 BDBDMO CC(C)(C)N1CC(OCCC[N+](C)(C)C)C1 ZINC001224620492 973802920 /nfs/dbraw/zinc/80/29/20/973802920.db2.gz YVSLOBZYPZXDPR-UHFFFAOYSA-N 1 1 229.388 1.582 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225629647 974605905 /nfs/dbraw/zinc/60/59/05/974605905.db2.gz YVYIHSARBFAAEC-SECBINFHSA-N 1 1 223.232 1.073 20 5 BDBDMO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CC[N@H+](C)C1 ZINC001226761686 975064278 /nfs/dbraw/zinc/06/42/78/975064278.db2.gz KHWXVRVPMWJHLV-SNVBAGLBSA-N 1 1 237.259 1.381 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC001351184475 982228045 /nfs/dbraw/zinc/22/80/45/982228045.db2.gz XCGJNZKZKPFVQY-LLVKDONJSA-N 1 1 228.292 1.154 20 5 BDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC(C)(C)C1 ZINC001354590519 983326708 /nfs/dbraw/zinc/32/67/08/983326708.db2.gz HLPAYYQXPNLXAW-VIFPVBQESA-N 1 1 200.282 1.631 20 5 BDBDMO NC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001246075236 987362368 /nfs/dbraw/zinc/36/23/68/987362368.db2.gz JMCFHZLITMHUTE-WDEREUQCSA-N 1 1 241.335 1.293 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCOC1)C2 ZINC001116608020 987643561 /nfs/dbraw/zinc/64/35/61/987643561.db2.gz UGMHGDMFBDWVMA-JTQLQIEISA-N 1 1 248.282 1.947 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCOC1)C2 ZINC001116608020 987643565 /nfs/dbraw/zinc/64/35/65/987643565.db2.gz UGMHGDMFBDWVMA-JTQLQIEISA-N 1 1 248.282 1.947 20 5 BDBDMO CC[C@H](N)C[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246972686 988798739 /nfs/dbraw/zinc/79/87/39/988798739.db2.gz DUZDAPGGGPYKOA-GARJFASQSA-N 1 1 229.324 1.101 20 5 BDBDMO CC[C@H]([NH3+])CN(C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246972686 988798747 /nfs/dbraw/zinc/79/87/47/988798747.db2.gz DUZDAPGGGPYKOA-GARJFASQSA-N 1 1 229.324 1.101 20 5 BDBDMO C[C@@H]1CCSCC[N@H+]1CC[N+](=O)[O-] ZINC001119765676 989389525 /nfs/dbraw/zinc/38/95/25/989389525.db2.gz KIWWISJPPZOOQS-MRVPVSSYSA-N 1 1 204.295 1.091 20 5 BDBDMO C[N@@H+](CCO)CCc1cccc([N+](=O)[O-])c1 ZINC000168089544 361869592 /nfs/dbraw/zinc/86/95/92/361869592.db2.gz QQKUDLVYWUGWHK-UHFFFAOYSA-N 1 1 224.260 1.061 20 5 BDBDMO Cn1cc(C[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602469639 342925365 /nfs/dbraw/zinc/92/53/65/342925365.db2.gz UYHJFBICEMTPBO-UHFFFAOYSA-N 1 1 238.291 1.560 20 5 BDBDMO C[C@](CO)([NH2+]CCF)c1cccc([N+](=O)[O-])c1 ZINC000602961767 349826107 /nfs/dbraw/zinc/82/61/07/349826107.db2.gz CMWGJVUNUAJNSF-LLVKDONJSA-N 1 1 242.250 1.361 20 5 BDBDMO C[NH+](C)Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000143872846 345707118 /nfs/dbraw/zinc/70/71/18/345707118.db2.gz ODJNZHNKXTUKPA-UHFFFAOYSA-N 1 1 238.203 1.299 20 5 BDBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000054128174 187360142 /nfs/dbraw/zinc/36/01/42/187360142.db2.gz WYOMJDXBVZHSHA-UHFFFAOYSA-N 1 1 238.291 1.742 20 5 BDBDMO C[C@@H](O)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595326600 348227340 /nfs/dbraw/zinc/22/73/40/348227340.db2.gz MVHORXLBGBUMMM-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595326600 348227344 /nfs/dbraw/zinc/22/73/44/348227344.db2.gz MVHORXLBGBUMMM-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC000595301967 348219408 /nfs/dbraw/zinc/21/94/08/348219408.db2.gz HNPSIENKJMXVRU-SNVBAGLBSA-N 1 1 240.234 1.301 20 5 BDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000595301967 348219410 /nfs/dbraw/zinc/21/94/10/348219410.db2.gz HNPSIENKJMXVRU-SNVBAGLBSA-N 1 1 240.234 1.301 20 5 BDBDMO C[N@H+](CCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595473032 348259762 /nfs/dbraw/zinc/25/97/62/348259762.db2.gz SQJSPHXRHJBWFQ-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO C[N@@H+](CCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595473032 348259764 /nfs/dbraw/zinc/25/97/64/348259764.db2.gz SQJSPHXRHJBWFQ-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000602028123 349420325 /nfs/dbraw/zinc/42/03/25/349420325.db2.gz ZELLDPSYIUYOPU-MRVPVSSYSA-N 1 1 237.259 1.483 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)C1 ZINC000072632480 351328653 /nfs/dbraw/zinc/32/86/53/351328653.db2.gz OHIDJZQBIRLFKQ-ZJUUUORDSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441995 371805000 /nfs/dbraw/zinc/80/50/00/371805000.db2.gz IGGLEHRWMGEYQM-QMMMGPOBSA-N 1 1 238.291 1.559 20 5 BDBDMO Cc1ccc(C[N@H+](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000289389622 384091907 /nfs/dbraw/zinc/09/19/07/384091907.db2.gz DRVUDVSTBOSHJH-SNVBAGLBSA-N 1 1 238.287 1.716 20 5 BDBDMO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000163223604 384180660 /nfs/dbraw/zinc/18/06/60/384180660.db2.gz BBLIXNBSZZQNQP-ZYHUDNBSSA-N 1 1 249.314 1.764 20 5 BDBDMO CC[N@H+](C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000051634384 385869199 /nfs/dbraw/zinc/86/91/99/385869199.db2.gz OFALZKMJJJLWJE-UHFFFAOYSA-N 1 1 237.303 1.636 20 5 BDBDMO CC[N@@H+](C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000051634384 385869201 /nfs/dbraw/zinc/86/92/01/385869201.db2.gz OFALZKMJJJLWJE-UHFFFAOYSA-N 1 1 237.303 1.636 20 5 BDBDMO CC[C@H](CO)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000294029495 386312671 /nfs/dbraw/zinc/31/26/71/386312671.db2.gz ZRMSUSKBXZRCTJ-LLVKDONJSA-N 1 1 238.287 1.798 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CN)C1CC1 ZINC000414804834 387131260 /nfs/dbraw/zinc/13/12/60/387131260.db2.gz PCXLFASGAYRJOU-ZDUSSCGKSA-N 1 1 249.314 1.730 20 5 BDBDMO CC[N@H+](CCCO)Cc1csc([N+](=O)[O-])c1 ZINC000353646783 387247377 /nfs/dbraw/zinc/24/73/77/387247377.db2.gz JHXLQAGXSMPOIU-UHFFFAOYSA-N 1 1 244.316 1.861 20 5 BDBDMO CC[N@@H+](CCCO)Cc1csc([N+](=O)[O-])c1 ZINC000353646783 387247380 /nfs/dbraw/zinc/24/73/80/387247380.db2.gz JHXLQAGXSMPOIU-UHFFFAOYSA-N 1 1 244.316 1.861 20 5 BDBDMO C[C@@]1(F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347333861 387798998 /nfs/dbraw/zinc/79/89/98/387798998.db2.gz AUJGHCPOLPWHKD-SNVBAGLBSA-N 1 1 242.254 1.225 20 5 BDBDMO C[C@@]1(F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347333861 387798999 /nfs/dbraw/zinc/79/89/99/387798999.db2.gz AUJGHCPOLPWHKD-SNVBAGLBSA-N 1 1 242.254 1.225 20 5 BDBDMO C[C@H](NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176691 388191661 /nfs/dbraw/zinc/19/16/61/388191661.db2.gz XTYDJTRRXZPPCT-JTQLQIEISA-N 1 1 237.303 1.807 20 5 BDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000174860311 388443693 /nfs/dbraw/zinc/44/36/93/388443693.db2.gz PLSOBSOHYFODBM-UHFFFAOYSA-N 1 1 238.291 1.523 20 5 BDBDMO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423296985 388691403 /nfs/dbraw/zinc/69/14/03/388691403.db2.gz IESAXUWPCYVFTE-VHSXEESVSA-N 1 1 237.303 1.840 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000375307500 388717901 /nfs/dbraw/zinc/71/79/01/388717901.db2.gz GXWIBQYOEGGDPC-GFCCVEGCSA-N 1 1 248.282 1.552 20 5 BDBDMO C[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332718081 388797839 /nfs/dbraw/zinc/79/78/39/388797839.db2.gz NBABRUOJEUQDEP-SECBINFHSA-N 1 1 236.271 1.334 20 5 BDBDMO C[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332718081 388797844 /nfs/dbraw/zinc/79/78/44/388797844.db2.gz NBABRUOJEUQDEP-SECBINFHSA-N 1 1 236.271 1.334 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282448224 388816320 /nfs/dbraw/zinc/81/63/20/388816320.db2.gz LQKFOZROQIELOZ-SNVBAGLBSA-N 1 1 238.287 1.450 20 5 BDBDMO CCC[C@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355555012 411185973 /nfs/dbraw/zinc/18/59/73/411185973.db2.gz NSTRHMPMVPLDJQ-VIFPVBQESA-N 1 1 240.307 1.949 20 5 BDBDMO CCC[C@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355555012 411185977 /nfs/dbraw/zinc/18/59/77/411185977.db2.gz NSTRHMPMVPLDJQ-VIFPVBQESA-N 1 1 240.307 1.949 20 5 BDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929674 176382337 /nfs/dbraw/zinc/38/23/37/176382337.db2.gz RTSMGQDBGYCPJR-BXKDBHETSA-N 1 1 236.271 1.550 20 5 BDBDMO C[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000051821341 488049404 /nfs/dbraw/zinc/04/94/04/488049404.db2.gz XBTPHQRWTFPAQM-VIFPVBQESA-N 1 1 224.260 1.407 20 5 BDBDMO C[N@H+]1C[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941709 583254878 /nfs/dbraw/zinc/25/48/78/583254878.db2.gz VORIBYADGCBUAV-ZWNOBZJWSA-N 1 1 247.298 1.735 20 5 BDBDMO O=[N+]([O-])c1ccc(N[C@H]2Cc3c[nH+]cn3C2)nc1 ZINC000894994746 583564692 /nfs/dbraw/zinc/56/46/92/583564692.db2.gz FYWHAMQKBYEHDS-QMMMGPOBSA-N 1 1 245.242 1.223 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000895771453 583725222 /nfs/dbraw/zinc/72/52/22/583725222.db2.gz ZPYUQLCMZUSYAC-SSDOTTSWSA-N 1 1 227.289 1.772 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000895771453 583725224 /nfs/dbraw/zinc/72/52/24/583725224.db2.gz ZPYUQLCMZUSYAC-SSDOTTSWSA-N 1 1 227.289 1.772 20 5 BDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCF)CC2 ZINC000754217478 585280704 /nfs/dbraw/zinc/28/07/04/585280704.db2.gz WVFROCDSWGMYRA-UHFFFAOYSA-N 1 1 225.223 1.317 20 5 BDBDMO CC[C@@]1(C)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000758392846 585355594 /nfs/dbraw/zinc/35/55/94/585355594.db2.gz UBDHGYRAQAFLOC-NSHDSACASA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@@]1(C)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000758392846 585355595 /nfs/dbraw/zinc/35/55/95/585355595.db2.gz UBDHGYRAQAFLOC-NSHDSACASA-N 1 1 238.291 1.871 20 5 BDBDMO COc1ccc(C[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000791053075 585972607 /nfs/dbraw/zinc/97/26/07/585972607.db2.gz HHYJSGXDYKSQJL-UHFFFAOYSA-N 1 1 224.260 1.404 20 5 BDBDMO COc1ccc(C[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000791053075 585972608 /nfs/dbraw/zinc/97/26/08/585972608.db2.gz HHYJSGXDYKSQJL-UHFFFAOYSA-N 1 1 224.260 1.404 20 5 BDBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791053091 585973325 /nfs/dbraw/zinc/97/33/25/585973325.db2.gz AOWCKCLLTMJBPI-JTQLQIEISA-N 1 1 238.291 1.440 20 5 BDBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791053091 585973326 /nfs/dbraw/zinc/97/33/26/585973326.db2.gz AOWCKCLLTMJBPI-JTQLQIEISA-N 1 1 238.291 1.440 20 5 BDBDMO C[C@@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171278 588089692 /nfs/dbraw/zinc/08/96/92/588089692.db2.gz YEOMIFXPSQUHLC-SSDOTTSWSA-N 1 1 248.242 1.588 20 5 BDBDMO C[C@H]([NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843235049 588095254 /nfs/dbraw/zinc/09/52/54/588095254.db2.gz YMJGZBNSMDQURV-LURJTMIESA-N 1 1 228.252 1.077 20 5 BDBDMO Cc1c(C[NH2+]C2(C)COC2)cccc1[N+](=O)[O-] ZINC000877691995 590392810 /nfs/dbraw/zinc/39/28/10/590392810.db2.gz ZRUMCTHZXHLQPF-UHFFFAOYSA-N 1 1 236.271 1.782 20 5 BDBDMO CC[N@H+](CCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886027519 592135353 /nfs/dbraw/zinc/13/53/53/592135353.db2.gz GDTCNYGGXOBAGG-UHFFFAOYSA-N 1 1 239.275 1.194 20 5 BDBDMO CC[N@@H+](CCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886027519 592135355 /nfs/dbraw/zinc/13/53/55/592135355.db2.gz GDTCNYGGXOBAGG-UHFFFAOYSA-N 1 1 239.275 1.194 20 5 BDBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181831 592171961 /nfs/dbraw/zinc/17/19/61/592171961.db2.gz UUABYWQLRVZFGO-RKDXNWHRSA-N 1 1 221.260 1.973 20 5 BDBDMO CC[C@H]([NH2+]CC[N+](=O)[O-])c1c(C)noc1C ZINC000309428201 632047586 /nfs/dbraw/zinc/04/75/86/632047586.db2.gz FSHLSLWRIRFDJX-VIFPVBQESA-N 1 1 227.264 1.609 20 5 BDBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000930702128 634050895 /nfs/dbraw/zinc/05/08/95/634050895.db2.gz JYISCSNCCDZHJG-SNVBAGLBSA-N 1 1 240.278 1.965 20 5 BDBDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905260887 637715664 /nfs/dbraw/zinc/71/56/64/637715664.db2.gz OVNNOWWMLWTLME-LDYMZIIASA-N 1 1 222.244 1.375 20 5 BDBDMO Cc1ccc(C[NH2+]CC[N+](=O)[O-])nc1C ZINC000905286200 637738406 /nfs/dbraw/zinc/73/84/06/637738406.db2.gz YAHFXXWOYQYBGL-UHFFFAOYSA-N 1 1 209.249 1.065 20 5 BDBDMO Cc1noc(C)c1C(C)(C)[NH2+]CC[N+](=O)[O-] ZINC000930474973 639770999 /nfs/dbraw/zinc/77/09/99/639770999.db2.gz DDUXCEKTSJCTGE-UHFFFAOYSA-N 1 1 227.264 1.393 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000930612485 639821252 /nfs/dbraw/zinc/82/12/52/639821252.db2.gz QTYISKCVHWQHKZ-UTUOFQBUSA-N 1 1 242.319 1.279 20 5 BDBDMO C[N@H+](CC[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000930763292 639903719 /nfs/dbraw/zinc/90/37/19/639903719.db2.gz FJCKHWXGNRFUPZ-GFCCVEGCSA-N 1 1 238.287 1.103 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000930763292 639903724 /nfs/dbraw/zinc/90/37/24/639903724.db2.gz FJCKHWXGNRFUPZ-GFCCVEGCSA-N 1 1 238.287 1.103 20 5 BDBDMO C[C@@H]1CC2(C[N@H+]1CC[N+](=O)[O-])CCOCC2 ZINC000930823352 639924846 /nfs/dbraw/zinc/92/48/46/639924846.db2.gz ISPOCGHUOBUVSL-SNVBAGLBSA-N 1 1 228.292 1.154 20 5 BDBDMO CC[C@@H]1COC(C)(C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930847139 639944465 /nfs/dbraw/zinc/94/44/65/639944465.db2.gz BMBJMQSHLNZZRI-SECBINFHSA-N 1 1 216.281 1.153 20 5 BDBDMO CC[C@@H]1COC(C)(C)C[N@H+]1CC[N+](=O)[O-] ZINC000930847139 639944471 /nfs/dbraw/zinc/94/44/71/639944471.db2.gz BMBJMQSHLNZZRI-SECBINFHSA-N 1 1 216.281 1.153 20 5 BDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CCc2ccccc21 ZINC000930856887 639951687 /nfs/dbraw/zinc/95/16/87/639951687.db2.gz LKDQVVPZSBCYTO-NSHDSACASA-N 1 1 234.299 1.925 20 5 BDBDMO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000930893045 639976216 /nfs/dbraw/zinc/97/62/16/639976216.db2.gz URUYYSPBYWDATA-NSHDSACASA-N 1 1 242.319 1.687 20 5 BDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000930893045 639976218 /nfs/dbraw/zinc/97/62/18/639976218.db2.gz URUYYSPBYWDATA-NSHDSACASA-N 1 1 242.319 1.687 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000931260795 640121638 /nfs/dbraw/zinc/12/16/38/640121638.db2.gz CCDYQYAXZZMFQR-MELADBBJSA-N 1 1 246.310 1.999 20 5 BDBDMO Cc1ncc([C@@H](C)[NH2+]CC[N+](=O)[O-])s1 ZINC000931468218 640227390 /nfs/dbraw/zinc/22/73/90/640227390.db2.gz UEHKNSUCWLGXOW-ZCFIWIBFSA-N 1 1 215.278 1.379 20 5 BDBDMO O=[N+]([O-])c1cccc(CN2CCn3cc[nH+]c32)c1 ZINC000931527632 640260094 /nfs/dbraw/zinc/26/00/94/640260094.db2.gz YAWZAJUSDJZTIF-UHFFFAOYSA-N 1 1 244.254 1.812 20 5 BDBDMO Cc1csc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000931614712 640290444 /nfs/dbraw/zinc/29/04/44/640290444.db2.gz BTBSFKGHTGKWJH-VIFPVBQESA-N 1 1 241.316 1.518 20 5 BDBDMO Cc1csc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000931614712 640290453 /nfs/dbraw/zinc/29/04/53/640290453.db2.gz BTBSFKGHTGKWJH-VIFPVBQESA-N 1 1 241.316 1.518 20 5 BDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000151211383 640341814 /nfs/dbraw/zinc/34/18/14/640341814.db2.gz SAHOZSJFXGXFCC-AOOOYVTPSA-N 1 1 236.275 1.481 20 5 BDBDMO Cc1noc(C[NH2+][C@@H]2COC[C@H]2C)c1[N+](=O)[O-] ZINC000932488604 640553454 /nfs/dbraw/zinc/55/34/54/640553454.db2.gz MLEQRHDYVKXJFC-HTRCEHHLSA-N 1 1 241.247 1.016 20 5 BDBDMO Cc1noc(C[NH2+][C@@H]2COC[C@@H]2C)c1[N+](=O)[O-] ZINC000932488605 640554484 /nfs/dbraw/zinc/55/44/84/640554484.db2.gz MLEQRHDYVKXJFC-POYBYMJQSA-N 1 1 241.247 1.016 20 5 BDBDMO Cc1[nH]c(C)c(Cn2nccc2[N+](=O)[O-])[nH+]1 ZINC000916721989 641970855 /nfs/dbraw/zinc/97/08/55/641970855.db2.gz DRXFDZAWMOVTOA-UHFFFAOYSA-N 1 1 221.220 1.180 20 5 BDBDMO Cc1[nH]c(Cn2nccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000916721989 641970863 /nfs/dbraw/zinc/97/08/63/641970863.db2.gz DRXFDZAWMOVTOA-UHFFFAOYSA-N 1 1 221.220 1.180 20 5 BDBDMO C[N@H+]1CCCC[C@H]1CCn1ccnc1[N+](=O)[O-] ZINC000918342534 642185392 /nfs/dbraw/zinc/18/53/92/642185392.db2.gz DIGYRMBAUDSTDW-JTQLQIEISA-N 1 1 238.291 1.666 20 5 BDBDMO Cn1c[nH+]cc1CCCn1ccnc1[N+](=O)[O-] ZINC000918386142 642196388 /nfs/dbraw/zinc/19/63/88/642196388.db2.gz IOSWPXJCFBFEHF-UHFFFAOYSA-N 1 1 235.247 1.158 20 5 BDBDMO C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000245798694 644544081 /nfs/dbraw/zinc/54/40/81/644544081.db2.gz YTIUTELEOSPHTF-VHSXEESVSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000245798694 644544095 /nfs/dbraw/zinc/54/40/95/644544095.db2.gz YTIUTELEOSPHTF-VHSXEESVSA-N 1 1 238.291 1.727 20 5 BDBDMO [NH3+][C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093214521 644681754 /nfs/dbraw/zinc/68/17/54/644681754.db2.gz BXFFISOIOKGPSW-NWDGAFQWSA-N 1 1 249.314 1.954 20 5 BDBDMO Cc1ccc(C[N@H+](C)CC[N+](=O)[O-])s1 ZINC000929501766 646154610 /nfs/dbraw/zinc/15/46/10/646154610.db2.gz YELWUWONWATSSZ-UHFFFAOYSA-N 1 1 214.290 1.765 20 5 BDBDMO Cc1ccc(C[N@@H+](C)CC[N+](=O)[O-])s1 ZINC000929501766 646154614 /nfs/dbraw/zinc/15/46/14/646154614.db2.gz YELWUWONWATSSZ-UHFFFAOYSA-N 1 1 214.290 1.765 20 5 BDBDMO C[C@H](O)C[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929700109 646255025 /nfs/dbraw/zinc/25/50/25/646255025.db2.gz BUFPPZZHNWIOTC-NSHDSACASA-N 1 1 238.287 1.146 20 5 BDBDMO C[C@H](O)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929700109 646255034 /nfs/dbraw/zinc/25/50/34/646255034.db2.gz BUFPPZZHNWIOTC-NSHDSACASA-N 1 1 238.287 1.146 20 5 BDBDMO C[C@@H](O)C[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929700108 646256072 /nfs/dbraw/zinc/25/60/72/646256072.db2.gz BUFPPZZHNWIOTC-LLVKDONJSA-N 1 1 238.287 1.146 20 5 BDBDMO C[C@@H](O)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929700108 646256080 /nfs/dbraw/zinc/25/60/80/646256080.db2.gz BUFPPZZHNWIOTC-LLVKDONJSA-N 1 1 238.287 1.146 20 5 BDBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC000929749389 646279912 /nfs/dbraw/zinc/27/99/12/646279912.db2.gz KNQFJTJPOICINE-UWVGGRQHSA-N 1 1 232.349 1.869 20 5 BDBDMO CC[N@H+]1CC[C@@H](N(C)CC[N+](=O)[O-])C[C@@H]1C ZINC000929782304 646308360 /nfs/dbraw/zinc/30/83/60/646308360.db2.gz UNOFHRHEJPMFDS-WDEREUQCSA-N 1 1 229.324 1.068 20 5 BDBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000929841787 646352848 /nfs/dbraw/zinc/35/28/48/646352848.db2.gz PHWIUSASHWFCTB-MNOVXSKESA-N 1 1 242.319 1.543 20 5 BDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000930183085 646481723 /nfs/dbraw/zinc/48/17/23/646481723.db2.gz NPYBTJXOKYMOLU-SSDOTTSWSA-N 1 1 230.214 1.892 20 5 BDBDMO CC[C@H](CSC)[N@@H+](C)CC[N+](=O)[O-] ZINC000930179387 646481884 /nfs/dbraw/zinc/48/18/84/646481884.db2.gz KGTBWOMLGBPZOJ-MRVPVSSYSA-N 1 1 206.311 1.337 20 5 BDBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000719572890 712811254 /nfs/dbraw/zinc/81/12/54/712811254.db2.gz VQFXNQKSMPPPBD-RQJHMYQMSA-N 1 1 242.304 1.556 20 5 BDBDMO CC[C@@]1(C)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000758399735 712408544 /nfs/dbraw/zinc/40/85/44/712408544.db2.gz YRQWMCJQTSFQSJ-NSHDSACASA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@@]1(C)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000758399735 712408545 /nfs/dbraw/zinc/40/85/45/712408545.db2.gz YRQWMCJQTSFQSJ-NSHDSACASA-N 1 1 238.291 1.871 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000712593417 712435233 /nfs/dbraw/zinc/43/52/33/712435233.db2.gz DOYASLFSTMXMJY-SECBINFHSA-N 1 1 222.248 1.106 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](F)C2)C1 ZINC001169010932 969337018 /nfs/dbraw/zinc/33/70/18/969337018.db2.gz GHSQPLIEQBPOJT-KXUCPTDWSA-N 1 1 216.256 1.476 20 5 BDBDMO C[NH+](C)C=Cc1cc(NC#N)ncc1[N+](=O)[O-] ZINC001157824428 970828816 /nfs/dbraw/zinc/82/88/16/970828816.db2.gz KGGQJUPURKIOIL-ONEGZZNKSA-N 1 1 233.231 1.415 20 5 BDBDMO O=[N+]([O-])c1ccc(O)cc1O[C@H]1CCC[NH2+]C1 ZINC001218280126 971671732 /nfs/dbraw/zinc/67/17/32/971671732.db2.gz XJKNTJXJRXOLDU-VIFPVBQESA-N 1 1 238.243 1.431 20 5 BDBDMO C[NH+](C)C=Cc1cc(NC=N)ncc1[N+](=O)[O-] ZINC001157077654 963521475 /nfs/dbraw/zinc/52/14/75/963521475.db2.gz HGKPWEOIIDSBGK-ONEGZZNKSA-N 1 1 235.247 1.541 20 5 BDBDMO CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965682 969319020 /nfs/dbraw/zinc/31/90/20/969319020.db2.gz BYIOXJAFKRBKFS-NWDGAFQWSA-N 1 1 243.351 1.491 20 5 BDBDMO COC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006310 969329511 /nfs/dbraw/zinc/32/95/11/969329511.db2.gz GSRFZMOBPDKMCP-UTUOFQBUSA-N 1 1 242.319 1.543 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2Cc3cncnc3C2)C1 ZINC001169008694 969334586 /nfs/dbraw/zinc/33/45/86/969334586.db2.gz UBLFMQUYRYJNTI-MWLCHTKSSA-N 1 1 248.286 1.238 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001169037083 969355454 /nfs/dbraw/zinc/35/54/54/969355454.db2.gz IRGZCARUSWZWQU-WRWGMCAJSA-N 1 1 240.303 1.153 20 5 BDBDMO CC[N@@H+](C1CN(C)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040998 969358928 /nfs/dbraw/zinc/35/89/28/969358928.db2.gz AIAFVYULUBMEHO-MNOVXSKESA-N 1 1 241.335 1.068 20 5 BDBDMO C[N@H+](CC(F)F)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056340 969372212 /nfs/dbraw/zinc/37/22/12/969372212.db2.gz RZVBUGIOBAFITF-JGVFFNPUSA-N 1 1 222.235 1.629 20 5 BDBDMO C[N@@H+](CC(F)F)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056340 969372217 /nfs/dbraw/zinc/37/22/17/969372217.db2.gz RZVBUGIOBAFITF-JGVFFNPUSA-N 1 1 222.235 1.629 20 5 BDBDMO C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCOC1 ZINC001169057895 969372826 /nfs/dbraw/zinc/37/28/26/969372826.db2.gz YTTXYKPSPXQEGK-GRYCIOLGSA-N 1 1 242.319 1.543 20 5 BDBDMO C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246545427 972636651 /nfs/dbraw/zinc/63/66/51/972636651.db2.gz KPCUQNHTSLIDPM-YFKTTZPYSA-N 1 1 241.335 1.243 20 5 BDBDMO C[N@H+]1CC[C@@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222764189 972685755 /nfs/dbraw/zinc/68/57/55/972685755.db2.gz TZEUQSRNEBBHOB-LLVKDONJSA-N 1 1 236.271 1.816 20 5 BDBDMO CC[NH+]1CC(OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222790277 972698648 /nfs/dbraw/zinc/69/86/48/972698648.db2.gz SBWMSFIUVCNBAR-UHFFFAOYSA-N 1 1 236.271 1.816 20 5 BDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCO ZINC001246915747 973458475 /nfs/dbraw/zinc/45/84/75/973458475.db2.gz XXNLPTFPXXEWOI-SNVBAGLBSA-N 1 1 238.287 1.450 20 5 BDBDMO Cc1cccc(O[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001225632395 974607646 /nfs/dbraw/zinc/60/76/46/974607646.db2.gz IYQVYSSQXYKZJU-JTQLQIEISA-N 1 1 236.271 1.986 20 5 BDBDMO C[C@H](C[N+](C)(C)C)Oc1cccc2[nH]nnc21 ZINC001225991075 974754611 /nfs/dbraw/zinc/75/46/11/974754611.db2.gz SLJVZSQNYUBKEE-SECBINFHSA-N 1 1 235.311 1.431 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226762870 975064102 /nfs/dbraw/zinc/06/41/02/975064102.db2.gz AKIDHFYFHGJBEM-LLVKDONJSA-N 1 1 222.244 1.678 20 5 BDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CN)CC1 ZINC001173229321 975072709 /nfs/dbraw/zinc/07/27/09/975072709.db2.gz MUDRFBGKULWMCI-SNVBAGLBSA-N 1 1 249.314 1.607 20 5 BDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(O)C1 ZINC001173224872 975073411 /nfs/dbraw/zinc/07/34/11/975073411.db2.gz HMZSIAZWSXJLQX-SECBINFHSA-N 1 1 236.271 1.202 20 5 BDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(O)C1 ZINC001173224873 975075260 /nfs/dbraw/zinc/07/52/60/975075260.db2.gz HMZSIAZWSXJLQX-VIFPVBQESA-N 1 1 236.271 1.202 20 5 BDBDMO Cc1cccnc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC001335333746 976973373 /nfs/dbraw/zinc/97/33/73/976973373.db2.gz NGJGPYNJDDYTQS-VIFPVBQESA-N 1 1 209.249 1.317 20 5 BDBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC001345667444 980665872 /nfs/dbraw/zinc/66/58/72/980665872.db2.gz JUHFXZGMPOVTPD-JTQLQIEISA-N 1 1 244.291 1.069 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1CCOC1)C2 ZINC001459596536 985545191 /nfs/dbraw/zinc/54/51/91/985545191.db2.gz OAFLSMASCMQSDA-GFCCVEGCSA-N 1 1 234.255 1.699 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1CCOC1)C2 ZINC001459596536 985545228 /nfs/dbraw/zinc/54/52/28/985545228.db2.gz OAFLSMASCMQSDA-GFCCVEGCSA-N 1 1 234.255 1.699 20 5 BDBDMO C[C@H]1CCSCC[N@H+]1CC[N+](=O)[O-] ZINC001119765677 989393130 /nfs/dbraw/zinc/39/31/30/989393130.db2.gz KIWWISJPPZOOQS-QMMMGPOBSA-N 1 1 204.295 1.091 20 5 BDBDMO CCC[N@@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429983 349534328 /nfs/dbraw/zinc/53/43/28/349534328.db2.gz GWXCXFKITKDTEM-UHFFFAOYSA-N 1 1 226.280 1.560 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473414 349544105 /nfs/dbraw/zinc/54/41/05/349544105.db2.gz QWFINZBFSMRSRS-BDAKNGLRSA-N 1 1 238.291 1.559 20 5 BDBDMO C[NH+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000298306531 398270661 /nfs/dbraw/zinc/27/06/61/398270661.db2.gz HPELOXXSOLRDBN-UHFFFAOYSA-N 1 1 248.242 1.706 20 5 BDBDMO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N(C)C ZINC000038087516 343942361 /nfs/dbraw/zinc/94/23/61/343942361.db2.gz PZVHSGQDKLHJOY-MRVPVSSYSA-N 1 1 243.332 1.696 20 5 BDBDMO C[C@H](CO)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000610369891 343950233 /nfs/dbraw/zinc/95/02/33/343950233.db2.gz OTIPQPLRADCLGA-JTQLQIEISA-N 1 1 238.287 1.655 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC=CCC2)n1 ZINC000611517411 344747649 /nfs/dbraw/zinc/74/76/49/344747649.db2.gz ABWBINJPNSIPET-UHFFFAOYSA-N 1 1 222.248 1.053 20 5 BDBDMO Cc1cnc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078624177 344891349 /nfs/dbraw/zinc/89/13/49/344891349.db2.gz HOKLQQOJCUTKQV-UHFFFAOYSA-N 1 1 236.275 1.050 20 5 BDBDMO Cn1c[nH+]cc1CCNc1ccccc1[N+](=O)[O-] ZINC000204250686 346657099 /nfs/dbraw/zinc/65/70/99/346657099.db2.gz NGXVHLOOKOLMRY-UHFFFAOYSA-N 1 1 246.270 1.983 20 5 BDBDMO Cc1cc(N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074724530 347252478 /nfs/dbraw/zinc/25/24/78/347252478.db2.gz YQEHNINERNRZDI-UHFFFAOYSA-N 1 1 236.275 1.050 20 5 BDBDMO C[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000590758980 347506756 /nfs/dbraw/zinc/50/67/56/347506756.db2.gz XLZZWVWXHWQAIV-SKDRFNHKSA-N 1 1 236.271 1.550 20 5 BDBDMO Cn1c[nH+]cc1CCNc1ccc([N+](=O)[O-])nc1 ZINC000401702785 347603051 /nfs/dbraw/zinc/60/30/51/347603051.db2.gz PRPURPAZVFDIPB-UHFFFAOYSA-N 1 1 247.258 1.378 20 5 BDBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000593110315 347861230 /nfs/dbraw/zinc/86/12/30/347861230.db2.gz UMDAXIZNDJVCPB-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO Cc1noc(C[N@@H+]2CC3CC2(C)C3)c1[N+](=O)[O-] ZINC000595918463 348400366 /nfs/dbraw/zinc/40/03/66/348400366.db2.gz DBHPUGVGSOSHAO-UHFFFAOYSA-N 1 1 237.259 1.876 20 5 BDBDMO Cc1noc(C[N@H+]2CC3CC2(C)C3)c1[N+](=O)[O-] ZINC000595918463 348400368 /nfs/dbraw/zinc/40/03/68/348400368.db2.gz DBHPUGVGSOSHAO-UHFFFAOYSA-N 1 1 237.259 1.876 20 5 BDBDMO CN(CC1C[NH+](C)C1)c1ncc([N+](=O)[O-])s1 ZINC000596455049 348541779 /nfs/dbraw/zinc/54/17/79/348541779.db2.gz ZCGBWVZJDVKZGQ-UHFFFAOYSA-N 1 1 242.304 1.049 20 5 BDBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000580358815 356431907 /nfs/dbraw/zinc/43/19/07/356431907.db2.gz MSKPEVKYXUETKL-SECBINFHSA-N 1 1 236.275 1.130 20 5 BDBDMO C[NH+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578453435 366573753 /nfs/dbraw/zinc/57/37/53/366573753.db2.gz SNIWJNOWBDBDEU-LBPRGKRZSA-N 1 1 249.314 1.733 20 5 BDBDMO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000089149824 359994187 /nfs/dbraw/zinc/99/41/87/359994187.db2.gz SADDHVJMEYPZNH-DGCLKSJQSA-N 1 1 249.314 1.812 20 5 BDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000350129338 371557001 /nfs/dbraw/zinc/55/70/01/371557001.db2.gz YWSUMZUUCPNUMW-UHFFFAOYSA-N 1 1 238.291 1.666 20 5 BDBDMO CCN(CC[NH3+])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000600720347 371698637 /nfs/dbraw/zinc/69/86/37/371698637.db2.gz ORVQZMSTDSTMRS-UHFFFAOYSA-N 1 1 239.275 1.081 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086000 371866097 /nfs/dbraw/zinc/86/60/97/371866097.db2.gz CRPDOOOLNRYJEV-NRUUGDAUSA-N 1 1 248.282 1.722 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603095854 371868036 /nfs/dbraw/zinc/86/80/36/371868036.db2.gz XPQQFZAUDVMAOI-JQWIXIFHSA-N 1 1 234.255 1.161 20 5 BDBDMO C[C@@H](O)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158668106 384083467 /nfs/dbraw/zinc/08/34/67/384083467.db2.gz RCKZUUGITVQSFD-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO CCCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157332324 384358002 /nfs/dbraw/zinc/35/80/02/384358002.db2.gz ZZUTXAWAHKSKCR-UHFFFAOYSA-N 1 1 226.280 1.523 20 5 BDBDMO C[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126728606 384383431 /nfs/dbraw/zinc/38/34/31/384383431.db2.gz FSLPZUSWCGIAST-SECBINFHSA-N 1 1 224.260 1.407 20 5 BDBDMO C[C@@H](CO)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000158876125 384559755 /nfs/dbraw/zinc/55/97/55/384559755.db2.gz UQKXNWJWTQJNFG-VIFPVBQESA-N 1 1 224.260 1.407 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000051887084 386566466 /nfs/dbraw/zinc/56/64/66/386566466.db2.gz LTSLBQXPDWBBQV-NSHDSACASA-N 1 1 236.271 1.409 20 5 BDBDMO CC(C)[N@@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000054128355 387347046 /nfs/dbraw/zinc/34/70/46/387347046.db2.gz AKDXTOIZWPYCLU-UHFFFAOYSA-N 1 1 238.291 1.742 20 5 BDBDMO C[C@@H](NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176693 388191314 /nfs/dbraw/zinc/19/13/14/388191314.db2.gz XTYDJTRRXZPPCT-SNVBAGLBSA-N 1 1 237.303 1.807 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245748841 388431261 /nfs/dbraw/zinc/43/12/61/388431261.db2.gz GGXSLSVCOICJHY-NXEZZACHSA-N 1 1 238.287 1.968 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372301482 388703095 /nfs/dbraw/zinc/70/30/95/388703095.db2.gz NMWSXNYQNLBUJM-LBPRGKRZSA-N 1 1 248.282 1.552 20 5 BDBDMO O=[N+]([O-])c1cccc(F)c1NCC[NH+]1CCC1 ZINC000342777627 135327497 /nfs/dbraw/zinc/32/74/97/135327497.db2.gz IRIBMHLIVXHOPQ-UHFFFAOYSA-N 1 1 239.250 1.852 20 5 BDBDMO CC[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051860735 170131401 /nfs/dbraw/zinc/13/14/01/170131401.db2.gz CINORMHLYVPHEH-UHFFFAOYSA-N 1 1 248.242 1.754 20 5 BDBDMO C[N@H+]1CCCC[C@@H]1CCn1nccc1[N+](=O)[O-] ZINC000284260581 173004887 /nfs/dbraw/zinc/00/48/87/173004887.db2.gz PBFMVCZLIWMYGQ-SNVBAGLBSA-N 1 1 238.291 1.666 20 5 BDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000267703249 176296636 /nfs/dbraw/zinc/29/66/36/176296636.db2.gz UXMHOTIDYWEESS-AOOOYVTPSA-N 1 1 238.291 1.379 20 5 BDBDMO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000131606048 177324645 /nfs/dbraw/zinc/32/46/45/177324645.db2.gz IFYQSJSEEQPVPG-JQWIXIFHSA-N 1 1 249.314 1.764 20 5 BDBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355343967 177359653 /nfs/dbraw/zinc/35/96/53/177359653.db2.gz PKGFYIPXEOJNKN-IUCAKERBSA-N 1 1 238.291 1.559 20 5 BDBDMO CCc1ccc(-c2nc(C[NH3+])no2)cc1[N+](=O)[O-] ZINC000571324618 323141404 /nfs/dbraw/zinc/14/14/04/323141404.db2.gz AWJPNATZVPOLIU-UHFFFAOYSA-N 1 1 248.242 1.666 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051822059 488049088 /nfs/dbraw/zinc/04/90/88/488049088.db2.gz AQROBZNMFWEHDM-SNVBAGLBSA-N 1 1 238.287 1.450 20 5 BDBDMO C[N@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893936441 583252444 /nfs/dbraw/zinc/25/24/44/583252444.db2.gz WYYPIFHNUXAZAM-GXSJLCMTSA-N 1 1 248.286 1.130 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000791053007 583385388 /nfs/dbraw/zinc/38/53/88/583385388.db2.gz RQELIHABLHBZRL-LLVKDONJSA-N 1 1 212.293 1.918 20 5 BDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cn1 ZINC000894878311 583542391 /nfs/dbraw/zinc/54/23/91/583542391.db2.gz AMERDQYOMDNTPW-PHIMTYICSA-N 1 1 248.286 1.273 20 5 BDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC=CCC2)c1 ZINC000778969359 585743067 /nfs/dbraw/zinc/74/30/67/585743067.db2.gz KLCBQWWHDGXLIM-CYBMUJFWSA-N 1 1 248.282 1.890 20 5 BDBDMO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779864921 585769255 /nfs/dbraw/zinc/76/92/55/585769255.db2.gz JJGBPAIQTHVNNI-RKDXNWHRSA-N 1 1 238.291 1.788 20 5 BDBDMO Cc1nn(C[N@H+]2C[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779864921 585769256 /nfs/dbraw/zinc/76/92/56/585769256.db2.gz JJGBPAIQTHVNNI-RKDXNWHRSA-N 1 1 238.291 1.788 20 5 BDBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC[N+](=O)[O-] ZINC000798198023 586140247 /nfs/dbraw/zinc/14/02/47/586140247.db2.gz XYECIZFGEBOKAT-UWVGGRQHSA-N 1 1 200.282 1.774 20 5 BDBDMO C[C@@H]1CC(C)(C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000840184803 586520199 /nfs/dbraw/zinc/52/01/99/586520199.db2.gz UEIXPZSIPWRGCZ-SECBINFHSA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000840184803 586520200 /nfs/dbraw/zinc/52/02/00/586520200.db2.gz UEIXPZSIPWRGCZ-SECBINFHSA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@H]1[C@@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000841688900 587972342 /nfs/dbraw/zinc/97/23/42/587972342.db2.gz HUVZACNFVJNSND-OPRDCNLKSA-N 1 1 238.291 1.725 20 5 BDBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]CC(F)F)C2)c1 ZINC000877518934 590345638 /nfs/dbraw/zinc/34/56/38/590345638.db2.gz VLOUZDWTNMQOIM-UHFFFAOYSA-N 1 1 246.217 1.350 20 5 BDBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000129119357 591249196 /nfs/dbraw/zinc/24/91/96/591249196.db2.gz AGMMYBLEWNAYNA-LBPRGKRZSA-N 1 1 249.314 1.827 20 5 BDBDMO CO[C@H](C)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886204907 592176203 /nfs/dbraw/zinc/17/62/03/592176203.db2.gz TWULQLGHGYDBNI-SECBINFHSA-N 1 1 239.275 1.457 20 5 BDBDMO CO[C@H](C)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886204907 592176206 /nfs/dbraw/zinc/17/62/06/592176206.db2.gz TWULQLGHGYDBNI-SECBINFHSA-N 1 1 239.275 1.457 20 5 BDBDMO C[N@H+](CC[N+](=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC000931564908 634595924 /nfs/dbraw/zinc/59/59/24/634595924.db2.gz QNSUOZJFYRDODN-UHFFFAOYSA-N 1 1 233.271 1.876 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC000931564908 634595930 /nfs/dbraw/zinc/59/59/30/634595930.db2.gz QNSUOZJFYRDODN-UHFFFAOYSA-N 1 1 233.271 1.876 20 5 BDBDMO CN(C)[C@H](C[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000905049012 637567577 /nfs/dbraw/zinc/56/75/77/637567577.db2.gz NPPSZKQPHPPBHT-GFCCVEGCSA-N 1 1 243.351 1.363 20 5 BDBDMO CCOc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905062975 637598608 /nfs/dbraw/zinc/59/86/08/637598608.db2.gz QBZDCLNMTHQPBM-UHFFFAOYSA-N 1 1 224.260 1.452 20 5 BDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905066085 637598630 /nfs/dbraw/zinc/59/86/30/637598630.db2.gz BTOUQFMGQSQIAT-NSHDSACASA-N 1 1 243.351 1.363 20 5 BDBDMO CCC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC000905095344 637634875 /nfs/dbraw/zinc/63/48/75/637634875.db2.gz SCQJLVZWDWUTCZ-SNVBAGLBSA-N 1 1 223.276 1.789 20 5 BDBDMO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905098175 637636484 /nfs/dbraw/zinc/63/64/84/637636484.db2.gz QEUQQEUWMSSDGW-NSHDSACASA-N 1 1 236.271 1.603 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000905254904 637712154 /nfs/dbraw/zinc/71/21/54/637712154.db2.gz HEEYJNCWWGTUGY-UHFFFAOYSA-N 1 1 247.201 1.049 20 5 BDBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930273136 639677056 /nfs/dbraw/zinc/67/70/56/639677056.db2.gz DUUHGSACJPABER-NKWVEPMBSA-N 1 1 226.198 1.536 20 5 BDBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC[N+](=O)[O-] ZINC000930273136 639677060 /nfs/dbraw/zinc/67/70/60/639677060.db2.gz DUUHGSACJPABER-NKWVEPMBSA-N 1 1 226.198 1.536 20 5 BDBDMO CN(C)c1ccccc1C[N@@H+](C)CC[N+](=O)[O-] ZINC000930502851 639788653 /nfs/dbraw/zinc/78/86/53/639788653.db2.gz IKFXVAWRFFNADL-UHFFFAOYSA-N 1 1 237.303 1.461 20 5 BDBDMO CN(C)c1ccccc1C[N@H+](C)CC[N+](=O)[O-] ZINC000930502851 639788647 /nfs/dbraw/zinc/78/86/47/639788647.db2.gz IKFXVAWRFFNADL-UHFFFAOYSA-N 1 1 237.303 1.461 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000930520209 639797801 /nfs/dbraw/zinc/79/78/01/639797801.db2.gz DSUSEIITFXBCRQ-QWRGUYRKSA-N 1 1 240.303 1.297 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000930520209 639797804 /nfs/dbraw/zinc/79/78/04/639797804.db2.gz DSUSEIITFXBCRQ-QWRGUYRKSA-N 1 1 240.303 1.297 20 5 BDBDMO CC(C)[C@H]1C[N@@H+](CC[N+](=O)[O-])CCCO1 ZINC000930589635 639814742 /nfs/dbraw/zinc/81/47/42/639814742.db2.gz LLKQGMJARRELSJ-SNVBAGLBSA-N 1 1 216.281 1.010 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000930714336 639876002 /nfs/dbraw/zinc/87/60/02/639876002.db2.gz DENPJCLBBWVANX-RYUDHWBXSA-N 1 1 236.271 1.071 20 5 BDBDMO C[N@H+](CC[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000930763293 639901832 /nfs/dbraw/zinc/90/18/32/639901832.db2.gz FJCKHWXGNRFUPZ-LBPRGKRZSA-N 1 1 238.287 1.103 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000930763293 639901835 /nfs/dbraw/zinc/90/18/35/639901835.db2.gz FJCKHWXGNRFUPZ-LBPRGKRZSA-N 1 1 238.287 1.103 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000930861759 639954493 /nfs/dbraw/zinc/95/44/93/639954493.db2.gz DPHZDUPTMWBLEH-MRVPVSSYSA-N 1 1 220.219 1.384 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000931026025 640028978 /nfs/dbraw/zinc/02/89/78/640028978.db2.gz OMRBCGVGSIISQX-NEPJUHHUSA-N 1 1 242.319 1.544 20 5 BDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccns1 ZINC000931330894 640159792 /nfs/dbraw/zinc/15/97/92/640159792.db2.gz CYZXCQJXKLQGGS-ZCFIWIBFSA-N 1 1 201.251 1.070 20 5 BDBDMO Cc1noc(CN2CCn3cc[nH+]c32)c1[N+](=O)[O-] ZINC000931517979 640244485 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242.300 1.923 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595767814 348334919 /nfs/dbraw/zinc/33/49/19/348334919.db2.gz PELYAXHWFQIBNL-WCQYABFASA-N 1 1 248.282 1.552 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCO ZINC000050508340 350349551 /nfs/dbraw/zinc/34/95/51/350349551.db2.gz XTHSZLXZMGFMKN-SNVBAGLBSA-N 1 1 238.287 1.970 20 5 BDBDMO O=[N+]([O-])c1cnc(NCC[NH+]2CCC2)c(F)c1 ZINC000413201036 191362760 /nfs/dbraw/zinc/36/27/60/191362760.db2.gz JJFXFAMIVCYNOB-UHFFFAOYSA-N 1 1 240.238 1.247 20 5 BDBDMO CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394538 370869545 /nfs/dbraw/zinc/86/95/45/370869545.db2.gz ULTNALXRIDOELV-VIFPVBQESA-N 1 1 224.264 1.448 20 5 BDBDMO CC[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000600875182 371707652 /nfs/dbraw/zinc/70/76/52/371707652.db2.gz SEAOPXBWIMQLOG-UHFFFAOYSA-N 1 1 241.316 1.798 20 5 BDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCCO)c2c1 ZINC000601099032 371725651 /nfs/dbraw/zinc/72/56/51/371725651.db2.gz PFWIJLFOJNRUNN-UHFFFAOYSA-N 1 1 247.254 1.359 20 5 BDBDMO CC(C)c1[nH+]ccn1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603325676 371884582 /nfs/dbraw/zinc/88/45/82/371884582.db2.gz MRZRACCHTQIOMD-UHFFFAOYSA-N 1 1 249.274 1.697 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1CC1 ZINC000602765438 371838835 /nfs/dbraw/zinc/83/88/35/371838835.db2.gz LQMHLUBKWRFLJK-UHFFFAOYSA-N 1 1 238.291 1.442 20 5 BDBDMO CC[C@@H](C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788306 371840373 /nfs/dbraw/zinc/84/03/73/371840373.db2.gz PTJHCMNPVCWXLG-SECBINFHSA-N 1 1 240.307 1.830 20 5 BDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC[NH3+] ZINC000218197978 372080849 /nfs/dbraw/zinc/08/08/49/372080849.db2.gz OAUXTKHWBHEAKF-VIFPVBQESA-N 1 1 223.276 1.074 20 5 BDBDMO Cc1nn(CCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000516664936 385133236 /nfs/dbraw/zinc/13/32/36/385133236.db2.gz QHPLGCKZSHLKKQ-UHFFFAOYSA-N 1 1 249.274 1.466 20 5 BDBDMO CCC[C@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267112888 386072671 /nfs/dbraw/zinc/07/26/71/386072671.db2.gz YBXBFHMDEDVHOZ-JTQLQIEISA-N 1 1 240.307 1.912 20 5 BDBDMO CC[N@@H+](CCO)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000269475028 387181807 /nfs/dbraw/zinc/18/18/07/387181807.db2.gz VJANDOQFQZVPAO-SNVBAGLBSA-N 1 1 238.287 1.970 20 5 BDBDMO CC[N@@H+](C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295632675 387328273 /nfs/dbraw/zinc/32/82/73/387328273.db2.gz XOSPJIYLDAKZAW-UHFFFAOYSA-N 1 1 239.279 1.057 20 5 BDBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000075776782 387345582 /nfs/dbraw/zinc/34/55/82/387345582.db2.gz YQIMERVFKQMCHB-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)C ZINC000192788129 387492045 /nfs/dbraw/zinc/49/20/45/387492045.db2.gz UNYLWKVXMCGZPN-UHFFFAOYSA-N 1 1 237.259 1.403 20 5 BDBDMO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000131605459 388348140 /nfs/dbraw/zinc/34/81/40/388348140.db2.gz IFYQSJSEEQPVPG-ZYHUDNBSSA-N 1 1 249.314 1.764 20 5 BDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000078489861 388681408 /nfs/dbraw/zinc/68/14/08/388681408.db2.gz ONMBOLSOPNCTJK-UHFFFAOYSA-N 1 1 238.287 1.798 20 5 BDBDMO Cc1c([C@@H](C)NCCC[NH3+])cccc1[N+](=O)[O-] ZINC000423188262 388688181 /nfs/dbraw/zinc/68/81/81/388688181.db2.gz LLTOYLKERGLOBT-SNVBAGLBSA-N 1 1 237.303 1.903 20 5 BDBDMO C[NH+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000118288796 388728098 /nfs/dbraw/zinc/72/80/98/388728098.db2.gz AXFLGRULAHRLBU-UHFFFAOYSA-N 1 1 249.270 1.046 20 5 BDBDMO CC[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332644302 388793809 /nfs/dbraw/zinc/79/38/09/388793809.db2.gz BJICEPJVMPSENB-VIFPVBQESA-N 1 1 238.291 1.703 20 5 BDBDMO Cc1c(C[N@@H+](C)CCCO)cccc1[N+](=O)[O-] ZINC000302464249 388844277 /nfs/dbraw/zinc/84/42/77/388844277.db2.gz PMHRIHGWVNFHBW-UHFFFAOYSA-N 1 1 238.287 1.717 20 5 BDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174817423 134283786 /nfs/dbraw/zinc/28/37/86/134283786.db2.gz BGNYGOWUCSKQOU-UHFFFAOYSA-N 1 1 224.264 1.276 20 5 BDBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331039908 167367808 /nfs/dbraw/zinc/36/78/08/167367808.db2.gz BUXQVACDHAEYOW-SECBINFHSA-N 1 1 240.307 1.805 20 5 BDBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000037647753 173118116 /nfs/dbraw/zinc/11/81/16/173118116.db2.gz YQUCGJWTOCOIEO-JTQLQIEISA-N 1 1 235.287 1.958 20 5 BDBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266887639 177162628 /nfs/dbraw/zinc/16/26/28/177162628.db2.gz CLSPIIWSMXTBJJ-VIFPVBQESA-N 1 1 224.264 1.133 20 5 BDBDMO CCC[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350670267 535629988 /nfs/dbraw/zinc/62/99/88/535629988.db2.gz QVKKNWUKMJRLEA-JTQLQIEISA-N 1 1 240.307 1.912 20 5 BDBDMO CCS[C@@H]1CCCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791051742 583383598 /nfs/dbraw/zinc/38/35/98/583383598.db2.gz ICCKZFWUROVNRX-SNVBAGLBSA-N 1 1 232.349 1.871 20 5 BDBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000791053018 583385486 /nfs/dbraw/zinc/38/54/86/583385486.db2.gz RVOSFJAIOZJQIA-PWSUYJOCSA-N 1 1 220.272 1.956 20 5 BDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000791053018 583385488 /nfs/dbraw/zinc/38/54/88/583385488.db2.gz RVOSFJAIOZJQIA-PWSUYJOCSA-N 1 1 220.272 1.956 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000895770019 583724270 /nfs/dbraw/zinc/72/42/70/583724270.db2.gz YHTXQGFHGNDCES-ZETCQYMHSA-N 1 1 240.238 1.245 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000895770019 583724272 /nfs/dbraw/zinc/72/42/72/583724272.db2.gz YHTXQGFHGNDCES-ZETCQYMHSA-N 1 1 240.238 1.245 20 5 BDBDMO O=[N+]([O-])c1cnn(C[NH+]2CCC[C@@H]2C2CC2)c1 ZINC000728559395 583897122 /nfs/dbraw/zinc/89/71/22/583897122.db2.gz GMPNGRCCJINUHJ-LLVKDONJSA-N 1 1 236.275 1.623 20 5 BDBDMO C[C@H]1C[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000740861871 585107742 /nfs/dbraw/zinc/10/77/42/585107742.db2.gz ZQMAUTUVTQBHRT-IUCAKERBSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@H]1C[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000740861871 585107743 /nfs/dbraw/zinc/10/77/43/585107743.db2.gz ZQMAUTUVTQBHRT-IUCAKERBSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H](c1cccc(O)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053155 585973044 /nfs/dbraw/zinc/97/30/44/585973044.db2.gz BAUFMFFDYZGZTA-VIFPVBQESA-N 1 1 224.260 1.662 20 5 BDBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053155 585973045 /nfs/dbraw/zinc/97/30/45/585973045.db2.gz BAUFMFFDYZGZTA-VIFPVBQESA-N 1 1 224.260 1.662 20 5 BDBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000791055811 585973571 /nfs/dbraw/zinc/97/35/71/585973571.db2.gz YVDPIBJRKVYIKB-MNOVXSKESA-N 1 1 238.291 1.043 20 5 BDBDMO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000840164179 586502074 /nfs/dbraw/zinc/50/20/74/586502074.db2.gz OGKMYYNMHDBXPI-UHFFFAOYSA-N 1 1 238.291 1.869 20 5 BDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000840164179 586502075 /nfs/dbraw/zinc/50/20/75/586502075.db2.gz OGKMYYNMHDBXPI-UHFFFAOYSA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219115 588093945 /nfs/dbraw/zinc/09/39/45/588093945.db2.gz WAFXNUNJVCHJMV-SCSAIBSYSA-N 1 1 240.244 1.726 20 5 BDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860920487 589132634 /nfs/dbraw/zinc/13/26/34/589132634.db2.gz CMKBWUHBXGVFHH-SNVBAGLBSA-N 1 1 244.291 1.071 20 5 BDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860920487 589132635 /nfs/dbraw/zinc/13/26/35/589132635.db2.gz CMKBWUHBXGVFHH-SNVBAGLBSA-N 1 1 244.291 1.071 20 5 BDBDMO C[N@H+](CC1CCCC1)Cn1nccc1[N+](=O)[O-] ZINC000127421908 590654819 /nfs/dbraw/zinc/65/48/19/590654819.db2.gz SRELMTNXUQEGEG-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO C[N@@H+](CC1CCCC1)Cn1nccc1[N+](=O)[O-] ZINC000127421908 590654820 /nfs/dbraw/zinc/65/48/20/590654820.db2.gz SRELMTNXUQEGEG-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1[N+](=O)[O-] ZINC000880420570 591028424 /nfs/dbraw/zinc/02/84/24/591028424.db2.gz JPNKDCQRCLYXFS-DGCLKSJQSA-N 1 1 248.282 1.470 20 5 BDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885951495 592113507 /nfs/dbraw/zinc/11/35/07/592113507.db2.gz JRNTYCKSGWVXJL-UHFFFAOYSA-N 1 1 221.260 1.974 20 5 BDBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885951495 592113510 /nfs/dbraw/zinc/11/35/10/592113510.db2.gz JRNTYCKSGWVXJL-UHFFFAOYSA-N 1 1 221.260 1.974 20 5 BDBDMO C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000014193753 631721299 /nfs/dbraw/zinc/72/12/99/631721299.db2.gz DNIYFFLZVVWIJH-VIFPVBQESA-N 1 1 224.264 1.481 20 5 BDBDMO C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000014193753 631721304 /nfs/dbraw/zinc/72/13/04/631721304.db2.gz DNIYFFLZVVWIJH-VIFPVBQESA-N 1 1 224.264 1.481 20 5 BDBDMO Cc1cc(C)c(C[NH2+]CC[N+](=O)[O-])cn1 ZINC000905277873 637735030 /nfs/dbraw/zinc/73/50/30/637735030.db2.gz AUZLMGNTGGRQAG-UHFFFAOYSA-N 1 1 209.249 1.065 20 5 BDBDMO C[C@@H]1CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975842 637993422 /nfs/dbraw/zinc/99/34/22/637993422.db2.gz VVPACXGJKYVUNZ-SKDRFNHKSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@H]1CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975840 637993785 /nfs/dbraw/zinc/99/37/85/637993785.db2.gz VVPACXGJKYVUNZ-CABZTGNLSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@@H]1CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905975839 637994086 /nfs/dbraw/zinc/99/40/86/637994086.db2.gz VVPACXGJKYVUNZ-BXKDBHETSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC[N+](=O)[O-] ZINC000930456517 639758771 /nfs/dbraw/zinc/75/87/71/639758771.db2.gz VDJABHDSXGKEJE-WDEREUQCSA-N 1 1 230.308 1.279 20 5 BDBDMO CC(C)[C@@H]1C[N@@H+](CC[N+](=O)[O-])CCCO1 ZINC000930589292 639814859 /nfs/dbraw/zinc/81/48/59/639814859.db2.gz LLKQGMJARRELSJ-JTQLQIEISA-N 1 1 216.281 1.010 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000930810012 639913930 /nfs/dbraw/zinc/91/39/30/639913930.db2.gz FEOMQZSVCQIYLM-WDEREUQCSA-N 1 1 228.292 1.154 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@@H](CCO)c1ccccc1F ZINC000930822890 639924658 /nfs/dbraw/zinc/92/46/58/639924658.db2.gz XFPUHUQPDALFAP-NSHDSACASA-N 1 1 242.250 1.116 20 5 BDBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000931021487 640025737 /nfs/dbraw/zinc/02/57/37/640025737.db2.gz KLEXKJXMCJSJMB-NXEZZACHSA-N 1 1 200.282 1.774 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000931612849 640286351 /nfs/dbraw/zinc/28/63/51/640286351.db2.gz VHNAEGCXMCYQON-CQSZACIVSA-N 1 1 246.310 1.853 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933089782 640667907 /nfs/dbraw/zinc/66/79/07/640667907.db2.gz WKKPOZIVTMFELU-LBPRGKRZSA-N 1 1 242.319 1.402 20 5 BDBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000929706254 641411108 /nfs/dbraw/zinc/41/11/08/641411108.db2.gz ZYJGZNVVWUZCKO-NXEZZACHSA-N 1 1 200.282 1.774 20 5 BDBDMO CC(C)C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929761135 641487217 /nfs/dbraw/zinc/48/72/17/641487217.db2.gz AGOJXCLQUYMYIG-SNVBAGLBSA-N 1 1 200.282 1.631 20 5 BDBDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929522777 646170185 /nfs/dbraw/zinc/17/01/85/646170185.db2.gz ASPOIDKKZSROEL-VIFPVBQESA-N 1 1 200.282 1.774 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000712579143 712432844 /nfs/dbraw/zinc/43/28/44/712432844.db2.gz LRBGYPFVFNMRDR-ZCFIWIBFSA-N 1 1 228.277 1.167 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000712579143 712432845 /nfs/dbraw/zinc/43/28/45/712432845.db2.gz LRBGYPFVFNMRDR-ZCFIWIBFSA-N 1 1 228.277 1.167 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712591756 712435166 /nfs/dbraw/zinc/43/51/66/712435166.db2.gz MGLGIVLLWZOPLP-ZETCQYMHSA-N 1 1 227.289 1.772 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712591756 712435167 /nfs/dbraw/zinc/43/51/67/712435167.db2.gz MGLGIVLLWZOPLP-ZETCQYMHSA-N 1 1 227.289 1.772 20 5 BDBDMO CC[N@H+]1CC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593179 712435429 /nfs/dbraw/zinc/43/54/29/712435429.db2.gz CTOSKMXVBUOKPF-VIFPVBQESA-N 1 1 236.275 1.496 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000712618235 712438764 /nfs/dbraw/zinc/43/87/64/712438764.db2.gz VWEMGJVPPYNUGW-SECBINFHSA-N 1 1 239.250 1.850 20 5 BDBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000719575548 712811715 /nfs/dbraw/zinc/81/17/15/712811715.db2.gz PSFAYFBVOYILHU-WPRPVWTQSA-N 1 1 236.275 1.494 20 5 BDBDMO C[C@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000719598554 712812978 /nfs/dbraw/zinc/81/29/78/712812978.db2.gz IDKZRPJWQXLXEC-GWCFXTLKSA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000719598554 712812980 /nfs/dbraw/zinc/81/29/80/712812980.db2.gz IDKZRPJWQXLXEC-GWCFXTLKSA-N 1 1 249.314 1.777 20 5 BDBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000173520243 960353757 /nfs/dbraw/zinc/35/37/57/960353757.db2.gz HONARWPZEWOLAK-MRVPVSSYSA-N 1 1 238.291 1.850 20 5 BDBDMO C[NH2+][C@H]1CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC001156639830 963420182 /nfs/dbraw/zinc/42/01/82/963420182.db2.gz WFBZEPKFSBEWHM-MRVPVSSYSA-N 1 1 242.666 1.399 20 5 BDBDMO C[NH2+][C@H]1CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001156639851 963424561 /nfs/dbraw/zinc/42/45/61/963424561.db2.gz WZWZBMSQGOHICV-MRVPVSSYSA-N 1 1 242.666 1.399 20 5 BDBDMO C[N@@H+]([C@@H]1CCOC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038121 969358395 /nfs/dbraw/zinc/35/83/95/969358395.db2.gz VVYCKIJGPQZIQC-GMTAPVOTSA-N 1 1 228.292 1.153 20 5 BDBDMO Cc1[nH+]ccn1CCNc1cnc([N+](=O)[O-])cn1 ZINC001163924356 965638159 /nfs/dbraw/zinc/63/81/59/965638159.db2.gz VEMQEHQXASLCCR-UHFFFAOYSA-N 1 1 248.246 1.002 20 5 BDBDMO CCC[N@@H+](CCC[NH3+])[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965921 969318697 /nfs/dbraw/zinc/31/86/97/969318697.db2.gz DKTUHIKLCZNHBW-NEPJUHHUSA-N 1 1 243.351 1.493 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCOCC2)C1 ZINC001169007577 969333759 /nfs/dbraw/zinc/33/37/59/969333759.db2.gz OGHGFLLAXHYGSQ-GHMZBOCLSA-N 1 1 228.292 1.154 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001169007575 969334875 /nfs/dbraw/zinc/33/48/75/969334875.db2.gz OEYIHBVLRYXHHY-KXNHARMFSA-N 1 1 240.303 1.295 20 5 BDBDMO C[C@H]1C[C@@H](CO)[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169012449 969336565 /nfs/dbraw/zinc/33/65/65/969336565.db2.gz QFCCMQFVJMXAPN-QCNOEVLYSA-N 1 1 242.319 1.135 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011666 969337406 /nfs/dbraw/zinc/33/74/06/969337406.db2.gz MBACVSIGHHLYMR-MXWKQRLJSA-N 1 1 212.293 1.774 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011667 969338725 /nfs/dbraw/zinc/33/87/25/969338725.db2.gz MBACVSIGHHLYMR-OUAUKWLOSA-N 1 1 212.293 1.774 20 5 BDBDMO CC(C)(N)C(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990226 969344391 /nfs/dbraw/zinc/34/43/91/969344391.db2.gz YLQAHOCNCUMFSJ-ZJUUUORDSA-N 1 1 243.351 1.537 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+](C2CC2)C2COC2)C1 ZINC001169035740 969351243 /nfs/dbraw/zinc/35/12/43/969351243.db2.gz LMMPZQVQSASCHN-ONGXEEELSA-N 1 1 240.303 1.295 20 5 BDBDMO CC(C)[N@@H+](CCCO)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037158 969355406 /nfs/dbraw/zinc/35/54/06/969355406.db2.gz QYOMLZVSUSOAKY-VXGBXAGGSA-N 1 1 244.335 1.525 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2Cc3ccncc3C2)C1 ZINC001169036351 969355908 /nfs/dbraw/zinc/35/59/08/969355908.db2.gz NWWWTVBJTFGPGL-GWCFXTLKSA-N 1 1 247.298 1.843 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2Cc3ccncc3C2)C1 ZINC001169036354 969358917 /nfs/dbraw/zinc/35/89/17/969358917.db2.gz NWWWTVBJTFGPGL-GXFFZTMASA-N 1 1 247.298 1.843 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC3(CC3)C2)C1 ZINC001169047631 969363727 /nfs/dbraw/zinc/36/37/27/969363727.db2.gz RVMDWPRTDRZLQW-MNOVXSKESA-N 1 1 240.303 1.297 20 5 BDBDMO COCC[N@@H+](C(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026767 969364378 /nfs/dbraw/zinc/36/43/78/969364378.db2.gz NWFFABLOELPQHC-NEPJUHHUSA-N 1 1 244.335 1.789 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](O)C1)C2 ZINC001254598485 969745842 /nfs/dbraw/zinc/74/58/42/969745842.db2.gz JWQYSMJJIZGTCD-QWHCGFSZSA-N 1 1 248.282 1.129 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225382501 974458625 /nfs/dbraw/zinc/45/86/25/974458625.db2.gz OPTFRYYJOWUFGX-SECBINFHSA-N 1 1 240.234 1.817 20 5 BDBDMO CC[N@H+]1CC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225592480 974578414 /nfs/dbraw/zinc/57/84/14/974578414.db2.gz GZCCLNXFZQPCHE-VIFPVBQESA-N 1 1 237.259 1.463 20 5 BDBDMO Cc1ccnc(O[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001226116210 974798703 /nfs/dbraw/zinc/79/87/03/974798703.db2.gz OOFUMDJKKHIDFK-VIFPVBQESA-N 1 1 237.259 1.381 20 5 BDBDMO Cc1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C)C1 ZINC001226968585 975195103 /nfs/dbraw/zinc/19/51/03/975195103.db2.gz GYJNVHBNMJSLPY-SNVBAGLBSA-N 1 1 236.271 1.986 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880047 976549617 /nfs/dbraw/zinc/54/96/17/976549617.db2.gz PTJBKLNUCDMTRV-QMMMGPOBSA-N 1 1 223.232 1.073 20 5 BDBDMO C[C@@H](Cc1cccs1)[N@@H+](C)CC[N+](=O)[O-] ZINC001191464051 981050926 /nfs/dbraw/zinc/05/09/26/981050926.db2.gz JHBUTAMUMFAAPM-VIFPVBQESA-N 1 1 228.317 1.888 20 5 BDBDMO C[C@H](C[N@H+](C)CC[N+](=O)[O-])c1nccs1 ZINC001354593938 983328660 /nfs/dbraw/zinc/32/86/60/983328660.db2.gz FZLJEBTXLUORPX-MRVPVSSYSA-N 1 1 229.305 1.455 20 5 BDBDMO C[C@H](C[N@@H+](C)CC[N+](=O)[O-])c1nccs1 ZINC001354593938 983328666 /nfs/dbraw/zinc/32/86/66/983328666.db2.gz FZLJEBTXLUORPX-MRVPVSSYSA-N 1 1 229.305 1.455 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001119668817 989314299 /nfs/dbraw/zinc/31/42/99/989314299.db2.gz XHZZEDOUKSPVPS-MNOVXSKESA-N 1 1 212.293 1.775 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1Cc1ccc[nH+]c1N ZINC001559363793 991081328 /nfs/dbraw/zinc/08/13/28/991081328.db2.gz HKNSHTZZYHSRCL-UHFFFAOYSA-N 1 1 233.231 1.125 20 5 BDBDMO Cc1c[nH]c(Nc2c([N+](=O)[O-])cnn2C)[nH+]1 ZINC001306996937 995280298 /nfs/dbraw/zinc/28/02/98/995280298.db2.gz HSXPXMKEDQIDFQ-UHFFFAOYSA-N 1 1 222.208 1.103 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+](C)CC(C)(C)C ZINC000355335716 398188031 /nfs/dbraw/zinc/18/80/31/398188031.db2.gz OETWMICKVVNPGA-UHFFFAOYSA-N 1 1 240.307 1.806 20 5 BDBDMO CN1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000037248581 361777205 /nfs/dbraw/zinc/77/72/05/361777205.db2.gz HWHHMVLTGSGULY-UHFFFAOYSA-N 1 1 249.314 1.779 20 5 BDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000134841824 342898529 /nfs/dbraw/zinc/89/85/29/342898529.db2.gz OACFFFSVVWUESY-UHFFFAOYSA-N 1 1 238.287 1.798 20 5 BDBDMO Cc1c(C[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000061708264 398343595 /nfs/dbraw/zinc/34/35/95/398343595.db2.gz JUEFAVHRKUZMNY-NSHDSACASA-N 1 1 236.271 1.470 20 5 BDBDMO CC(C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394587 187224657 /nfs/dbraw/zinc/22/46/57/187224657.db2.gz UPWINEXVZHVIJI-JTQLQIEISA-N 1 1 238.291 1.837 20 5 BDBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)(C)CO ZINC000609894970 343115226 /nfs/dbraw/zinc/11/52/26/343115226.db2.gz TWNYFXQWIUCMAB-UHFFFAOYSA-N 1 1 244.316 1.859 20 5 BDBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)(C)CO ZINC000609894970 343115229 /nfs/dbraw/zinc/11/52/29/343115229.db2.gz TWNYFXQWIUCMAB-UHFFFAOYSA-N 1 1 244.316 1.859 20 5 BDBDMO CC(C)[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049825390 187270101 /nfs/dbraw/zinc/27/01/01/187270101.db2.gz SKFLYNKBZUSVES-UHFFFAOYSA-N 1 1 238.287 1.798 20 5 BDBDMO C[C@@H](C1CC1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218080 344382888 /nfs/dbraw/zinc/38/28/88/344382888.db2.gz IPEPBMSHIDJTLZ-VIFPVBQESA-N 1 1 238.291 1.522 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CCn1cc[nH+]c1C ZINC000220481615 344468844 /nfs/dbraw/zinc/46/88/44/344468844.db2.gz PXVSKWDCNACSGS-UHFFFAOYSA-N 1 1 235.247 1.305 20 5 BDBDMO Cc1noc(C[N@@H+](C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000595322105 348226579 /nfs/dbraw/zinc/22/65/79/348226579.db2.gz LFTYPYITGZYEGI-UHFFFAOYSA-N 1 1 243.263 1.094 20 5 BDBDMO Cc1noc(C[N@H+](C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000595322105 348226580 /nfs/dbraw/zinc/22/65/80/348226580.db2.gz LFTYPYITGZYEGI-UHFFFAOYSA-N 1 1 243.263 1.094 20 5 BDBDMO Cn1c[nH+]cc1CCOc1ccc([N+](=O)[O-])cc1 ZINC000596239657 348483896 /nfs/dbraw/zinc/48/38/96/348483896.db2.gz TYBPVVCBTXSAPW-UHFFFAOYSA-N 1 1 247.254 1.950 20 5 BDBDMO C[NH+](C)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352184324 134097729 /nfs/dbraw/zinc/09/77/29/134097729.db2.gz PHLGQVBHFPQMEW-UHFFFAOYSA-N 1 1 241.222 1.234 20 5 BDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000583244571 357697147 /nfs/dbraw/zinc/69/71/47/357697147.db2.gz VINJURMMSYTFGG-KOLCDFICSA-N 1 1 248.286 1.130 20 5 BDBDMO CCO[C@@H]1C[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309970724 370282579 /nfs/dbraw/zinc/28/25/79/370282579.db2.gz PJTIRJQITQYLPV-RKDXNWHRSA-N 1 1 242.300 1.923 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000020941363 371355171 /nfs/dbraw/zinc/35/51/71/371355171.db2.gz NXAWHKBWNHZAIB-LLVKDONJSA-N 1 1 236.271 1.552 20 5 BDBDMO CCC[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355552851 169129418 /nfs/dbraw/zinc/12/94/18/169129418.db2.gz KTUXPDDLHWVMAJ-UHFFFAOYSA-N 1 1 226.280 1.560 20 5 BDBDMO CCC[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355552851 169129419 /nfs/dbraw/zinc/12/94/19/169129419.db2.gz KTUXPDDLHWVMAJ-UHFFFAOYSA-N 1 1 226.280 1.560 20 5 BDBDMO CCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010708 169195602 /nfs/dbraw/zinc/19/56/02/169195602.db2.gz RIVDQNPEFPKMAT-SNVBAGLBSA-N 1 1 238.291 1.838 20 5 BDBDMO CCC[C@@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267112891 169365779 /nfs/dbraw/zinc/36/57/79/169365779.db2.gz YBXBFHMDEDVHOZ-SNVBAGLBSA-N 1 1 240.307 1.912 20 5 BDBDMO C[C@H](C[NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000309336224 383851748 /nfs/dbraw/zinc/85/17/48/383851748.db2.gz KBFNJTYFJOMDSP-SECBINFHSA-N 1 1 223.276 1.279 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000050114087 383912027 /nfs/dbraw/zinc/91/20/27/383912027.db2.gz VEKCOKWUNDVROA-LLVKDONJSA-N 1 1 236.271 1.552 20 5 BDBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000226772503 384163132 /nfs/dbraw/zinc/16/31/32/384163132.db2.gz QYOBNQXGOGIGEY-UHFFFAOYSA-N 1 1 242.304 1.557 20 5 BDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000340930943 384830764 /nfs/dbraw/zinc/83/07/64/384830764.db2.gz TZJWTGNBLUSSCK-SKDRFNHKSA-N 1 1 236.271 1.550 20 5 BDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106883102 384937145 /nfs/dbraw/zinc/93/71/45/384937145.db2.gz ONHUMLDORAXROM-LLVKDONJSA-N 1 1 236.271 1.816 20 5 BDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106883102 384937153 /nfs/dbraw/zinc/93/71/53/384937153.db2.gz ONHUMLDORAXROM-LLVKDONJSA-N 1 1 236.271 1.816 20 5 BDBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000062010246 385025123 /nfs/dbraw/zinc/02/51/23/385025123.db2.gz VRPYLTUKSZVMTJ-UHFFFAOYSA-N 1 1 236.275 1.496 20 5 BDBDMO C[C@@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000291038849 385164623 /nfs/dbraw/zinc/16/46/23/385164623.db2.gz GDEMJMLKVVRJTP-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000291038849 385164631 /nfs/dbraw/zinc/16/46/31/385164631.db2.gz GDEMJMLKVVRJTP-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO Cc1noc(Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000595387193 385629415 /nfs/dbraw/zinc/62/94/15/385629415.db2.gz AYFSNEGGGSULEL-UHFFFAOYSA-N 1 1 222.204 1.444 20 5 BDBDMO CC[C@H]1CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000292470685 385702172 /nfs/dbraw/zinc/70/21/72/385702172.db2.gz RHFXJHZPYFVPLC-VIFPVBQESA-N 1 1 224.264 1.276 20 5 BDBDMO C[N@@H+](CCNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000058938208 386607445 /nfs/dbraw/zinc/60/74/45/386607445.db2.gz VQKLZYKBHZOBEX-UHFFFAOYSA-N 1 1 236.275 1.496 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367820977 387569152 /nfs/dbraw/zinc/56/91/52/387569152.db2.gz FNTPVJIEZQJZPN-GDNZZTSVSA-N 1 1 248.282 1.265 20 5 BDBDMO C[N@@H+]1CC=C(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000271878232 388410304 /nfs/dbraw/zinc/41/03/04/388410304.db2.gz UMEZGZDOIYOQCA-UHFFFAOYSA-N 1 1 248.286 1.664 20 5 BDBDMO C[N@H+](CCCCO)Cc1csc([N+](=O)[O-])c1 ZINC000276704903 388741801 /nfs/dbraw/zinc/74/18/01/388741801.db2.gz USVBVVBNGBWUDL-UHFFFAOYSA-N 1 1 244.316 1.861 20 5 BDBDMO C[N@@H+](CCCCO)Cc1csc([N+](=O)[O-])c1 ZINC000276704903 388741803 /nfs/dbraw/zinc/74/18/03/388741803.db2.gz USVBVVBNGBWUDL-UHFFFAOYSA-N 1 1 244.316 1.861 20 5 BDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCF)CC2 ZINC000332715391 388797961 /nfs/dbraw/zinc/79/79/61/388797961.db2.gz QAUBGJJQNZTLIJ-UHFFFAOYSA-N 1 1 239.250 1.708 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCC1 ZINC000331749585 388779598 /nfs/dbraw/zinc/77/95/98/388779598.db2.gz FFILRANVDMLLDP-UHFFFAOYSA-N 1 1 224.264 1.313 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCC1 ZINC000331749585 388779600 /nfs/dbraw/zinc/77/96/00/388779600.db2.gz FFILRANVDMLLDP-UHFFFAOYSA-N 1 1 224.264 1.313 20 5 BDBDMO CC[C@@H]1CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000292470683 171022907 /nfs/dbraw/zinc/02/29/07/171022907.db2.gz RHFXJHZPYFVPLC-SECBINFHSA-N 1 1 224.264 1.276 20 5 BDBDMO CCc1[nH+]ccn1CCn1ccc([N+](=O)[O-])n1 ZINC000158610297 172025365 /nfs/dbraw/zinc/02/53/65/172025365.db2.gz BMYNPEMMQOGYEE-UHFFFAOYSA-N 1 1 235.247 1.250 20 5 BDBDMO C[N@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])cn1 ZINC000298484850 173004825 /nfs/dbraw/zinc/00/48/25/173004825.db2.gz APWSEXZBLDYXKV-SNVBAGLBSA-N 1 1 238.291 1.666 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000291281004 176026373 /nfs/dbraw/zinc/02/63/73/176026373.db2.gz QJVVSQQEGOJOJA-ZJUUUORDSA-N 1 1 238.287 1.968 20 5 BDBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000246287021 177161685 /nfs/dbraw/zinc/16/16/85/177161685.db2.gz AFAOFKSTHYSENB-UWVGGRQHSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351783321 177263855 /nfs/dbraw/zinc/26/38/55/177263855.db2.gz RKWHIXOZNFGJPH-JOYOIKCWSA-N 1 1 236.271 1.407 20 5 BDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000340930938 177337837 /nfs/dbraw/zinc/33/78/37/177337837.db2.gz TZJWTGNBLUSSCK-JOYOIKCWSA-N 1 1 236.271 1.550 20 5 BDBDMO Cc1[nH+]ccn1CCCCn1cnc([N+](=O)[O-])c1 ZINC000157431476 326274567 /nfs/dbraw/zinc/27/45/67/326274567.db2.gz HBSYVOAQWWJYBW-UHFFFAOYSA-N 1 1 249.274 1.777 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000051821453 488048970 /nfs/dbraw/zinc/04/89/70/488048970.db2.gz FLIQYCGFKNAEKV-SECBINFHSA-N 1 1 224.260 1.407 20 5 BDBDMO Cc1nn(C[N@H+]2CC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000725779983 582848427 /nfs/dbraw/zinc/84/84/27/582848427.db2.gz WALBNJRUJUWQLO-MRVPVSSYSA-N 1 1 238.291 1.707 20 5 BDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000725779983 582848429 /nfs/dbraw/zinc/84/84/29/582848429.db2.gz WALBNJRUJUWQLO-MRVPVSSYSA-N 1 1 238.291 1.707 20 5 BDBDMO [NH3+]C1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000203513833 583113009 /nfs/dbraw/zinc/11/30/09/583113009.db2.gz PQYXWIKGAFAXQU-UHFFFAOYSA-N 1 1 246.226 1.593 20 5 BDBDMO C[C@@H](c1ccccc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791052800 583385149 /nfs/dbraw/zinc/38/51/49/583385149.db2.gz DJEIXLUXTDIXAR-JTQLQIEISA-N 1 1 208.261 1.956 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(Cl)s1 ZINC000899865387 584245641 /nfs/dbraw/zinc/24/56/41/584245641.db2.gz GUXIDKNZCCLRQL-UHFFFAOYSA-N 1 1 220.681 1.768 20 5 BDBDMO CCc1[nH+]ccn1Cc1cccnc1[N+](=O)[O-] ZINC000902312831 584555200 /nfs/dbraw/zinc/55/52/00/584555200.db2.gz ZDLHLCRHYLJUSF-UHFFFAOYSA-N 1 1 232.243 1.797 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](F)C2)n1 ZINC000902999764 584715328 /nfs/dbraw/zinc/71/53/28/584715328.db2.gz YMQRVPDPRAUIJJ-VIFPVBQESA-N 1 1 242.254 1.225 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](F)C2)n1 ZINC000902999764 584715329 /nfs/dbraw/zinc/71/53/29/584715329.db2.gz YMQRVPDPRAUIJJ-VIFPVBQESA-N 1 1 242.254 1.225 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000740859264 585107570 /nfs/dbraw/zinc/10/75/70/585107570.db2.gz KECOJXRXJTYMSV-BDAKNGLRSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000740859264 585107571 /nfs/dbraw/zinc/10/75/71/585107571.db2.gz KECOJXRXJTYMSV-BDAKNGLRSA-N 1 1 224.264 1.479 20 5 BDBDMO Cc1nn(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779864133 585769140 /nfs/dbraw/zinc/76/91/40/585769140.db2.gz UWWPOIICUSJHCU-RKDXNWHRSA-N 1 1 238.291 1.645 20 5 BDBDMO CC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859802 585769209 /nfs/dbraw/zinc/76/92/09/585769209.db2.gz PGEJXKDXIVEYHA-JTQLQIEISA-N 1 1 238.291 1.932 20 5 BDBDMO CC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859802 585769210 /nfs/dbraw/zinc/76/92/10/585769210.db2.gz PGEJXKDXIVEYHA-JTQLQIEISA-N 1 1 238.291 1.932 20 5 BDBDMO C[C@H](c1cccc(O)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053151 585973236 /nfs/dbraw/zinc/97/32/36/585973236.db2.gz BAUFMFFDYZGZTA-SECBINFHSA-N 1 1 224.260 1.662 20 5 BDBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053151 585973237 /nfs/dbraw/zinc/97/32/37/585973237.db2.gz BAUFMFFDYZGZTA-SECBINFHSA-N 1 1 224.260 1.662 20 5 BDBDMO CC[N@H+](C[C@H](C)OC)Cn1cc([N+](=O)[O-])cn1 ZINC000812303137 586572945 /nfs/dbraw/zinc/57/29/45/586572945.db2.gz LWVJAXNQLJIRMX-VIFPVBQESA-N 1 1 242.279 1.106 20 5 BDBDMO CC[N@@H+](C[C@H](C)OC)Cn1cc([N+](=O)[O-])cn1 ZINC000812303137 586572946 /nfs/dbraw/zinc/57/29/46/586572946.db2.gz LWVJAXNQLJIRMX-VIFPVBQESA-N 1 1 242.279 1.106 20 5 BDBDMO C[NH2+][C@@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000848630885 588403079 /nfs/dbraw/zinc/40/30/79/588403079.db2.gz AIIZUMDXUGFTDH-ZETCQYMHSA-N 1 1 242.279 1.338 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](CF)C2)c1 ZINC000880293168 590987714 /nfs/dbraw/zinc/98/77/14/590987714.db2.gz FHENJFGMEWLEPZ-SECBINFHSA-N 1 1 242.254 1.083 20 5 BDBDMO Cc1ccc(C[N@@H+]2CC=C[C@H]2CO)cc1[N+](=O)[O-] ZINC000880494709 591074298 /nfs/dbraw/zinc/07/42/98/591074298.db2.gz RGPPABFKBIVILW-LBPRGKRZSA-N 1 1 248.282 1.636 20 5 BDBDMO Cc1ccc(C[N@H+]2CC=C[C@H]2CO)cc1[N+](=O)[O-] ZINC000880494709 591074300 /nfs/dbraw/zinc/07/43/00/591074300.db2.gz RGPPABFKBIVILW-LBPRGKRZSA-N 1 1 248.282 1.636 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885980001 592119653 /nfs/dbraw/zinc/11/96/53/592119653.db2.gz QRCGNYACMYPREA-SECBINFHSA-N 1 1 221.260 1.832 20 5 BDBDMO CO[C@@H]1CC[N@@H+](CC[N+](=O)[O-])CC1(C)C ZINC000930643292 633974244 /nfs/dbraw/zinc/97/42/44/633974244.db2.gz UICFLVKPHIGHKZ-SECBINFHSA-N 1 1 216.281 1.010 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000930747406 634083942 /nfs/dbraw/zinc/08/39/42/634083942.db2.gz CWSOWVOVDKQLPB-QMMMGPOBSA-N 1 1 240.225 1.928 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000930747406 634083947 /nfs/dbraw/zinc/08/39/47/634083947.db2.gz CWSOWVOVDKQLPB-QMMMGPOBSA-N 1 1 240.225 1.928 20 5 BDBDMO CC(C)Oc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905060879 637595669 /nfs/dbraw/zinc/59/56/69/637595669.db2.gz XUIADRLJAOCMTR-UHFFFAOYSA-N 1 1 238.287 1.840 20 5 BDBDMO Cc1ccc2c(c1C)OC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000905098174 637637471 /nfs/dbraw/zinc/63/74/71/637637471.db2.gz QEUQQEUWMSSDGW-LLVKDONJSA-N 1 1 236.271 1.603 20 5 BDBDMO CC(=O)Nc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905133222 637643597 /nfs/dbraw/zinc/64/35/97/637643597.db2.gz DDMVOXLQLAODBM-UHFFFAOYSA-N 1 1 237.259 1.011 20 5 BDBDMO Cc1cccc(F)c1C[NH2+]CC[N+](=O)[O-] ZINC000905134987 637643697 /nfs/dbraw/zinc/64/36/97/637643697.db2.gz IAPOTCWMPCQTQR-UHFFFAOYSA-N 1 1 212.224 1.500 20 5 BDBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC[N+](=O)[O-] ZINC000930456514 639759662 /nfs/dbraw/zinc/75/96/62/639759662.db2.gz VDJABHDSXGKEJE-GHMZBOCLSA-N 1 1 230.308 1.279 20 5 BDBDMO C[C@@H](C[N@@H+](C)CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000930705265 639870633 /nfs/dbraw/zinc/87/06/33/639870633.db2.gz HKYZOVRUCDAFGF-VIFPVBQESA-N 1 1 246.307 1.173 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000930714337 639875397 /nfs/dbraw/zinc/87/53/97/639875397.db2.gz DENPJCLBBWVANX-VXGBXAGGSA-N 1 1 236.271 1.071 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000930824578 639924451 /nfs/dbraw/zinc/92/44/51/639924451.db2.gz DSMGOQZPKQITHN-NSHDSACASA-N 1 1 212.293 1.918 20 5 BDBDMO Cc1ccc2c(c1)C[N@@H+](CC[N+](=O)[O-])CC2 ZINC000930962803 640000507 /nfs/dbraw/zinc/00/05/07/640000507.db2.gz QLHPKGODEXNOSV-UHFFFAOYSA-N 1 1 220.272 1.630 20 5 BDBDMO Cc1ccc2c(c1)C[N@H+](CC[N+](=O)[O-])CC2 ZINC000930962803 640000513 /nfs/dbraw/zinc/00/05/13/640000513.db2.gz QLHPKGODEXNOSV-UHFFFAOYSA-N 1 1 220.272 1.630 20 5 BDBDMO C[C@@H]1C[NH+](CC[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000931161094 640082959 /nfs/dbraw/zinc/08/29/59/640082959.db2.gz SFMMXANXVWKLEN-HTQZYQBOSA-N 1 1 222.235 1.486 20 5 BDBDMO C[C@H](C[N@@H+](C)CC[N+](=O)[O-])C(C)(C)C ZINC000931616514 640289861 /nfs/dbraw/zinc/28/98/61/640289861.db2.gz USXAWHIFYKODQN-SECBINFHSA-N 1 1 202.298 1.877 20 5 BDBDMO CC[N@H+](CC[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000931700686 640325433 /nfs/dbraw/zinc/32/54/33/640325433.db2.gz JUUPZTQZZDHYDR-LBPRGKRZSA-N 1 1 238.287 1.319 20 5 BDBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000931700686 640325435 /nfs/dbraw/zinc/32/54/35/640325435.db2.gz JUUPZTQZZDHYDR-LBPRGKRZSA-N 1 1 238.287 1.319 20 5 BDBDMO C[C@@H]1CC(C)(C)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000840182378 644892895 /nfs/dbraw/zinc/89/28/95/644892895.db2.gz FKOOXXDXVHRFDQ-SECBINFHSA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@@H]1CC(C)(C)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000840182378 644892899 /nfs/dbraw/zinc/89/28/99/644892899.db2.gz FKOOXXDXVHRFDQ-SECBINFHSA-N 1 1 238.291 1.869 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928573562 645834470 /nfs/dbraw/zinc/83/44/70/645834470.db2.gz RICUSZDQFJGPQM-LLVKDONJSA-N 1 1 249.270 1.029 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928573562 645834474 /nfs/dbraw/zinc/83/44/74/645834474.db2.gz RICUSZDQFJGPQM-LLVKDONJSA-N 1 1 249.270 1.029 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000929617825 646201596 /nfs/dbraw/zinc/20/15/96/646201596.db2.gz KXTFIRJEZMFWHS-VIFPVBQESA-N 1 1 210.233 1.346 20 5 BDBDMO CCOC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929644966 646218424 /nfs/dbraw/zinc/21/84/24/646218424.db2.gz YUOMSPCSYRZKMI-SNVBAGLBSA-N 1 1 216.281 1.012 20 5 BDBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H](C)S1 ZINC000929724895 646274066 /nfs/dbraw/zinc/27/40/66/646274066.db2.gz FECSODQFASXJST-OCAPTIKFSA-N 1 1 204.295 1.089 20 5 BDBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC000929749390 646279745 /nfs/dbraw/zinc/27/97/45/646279745.db2.gz KNQFJTJPOICINE-VHSXEESVSA-N 1 1 232.349 1.869 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000929887856 646368127 /nfs/dbraw/zinc/36/81/27/646368127.db2.gz WPRBTIZOKFZCOF-JTQLQIEISA-N 1 1 209.249 1.428 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000929887856 646368133 /nfs/dbraw/zinc/36/81/33/646368133.db2.gz WPRBTIZOKFZCOF-JTQLQIEISA-N 1 1 209.249 1.428 20 5 BDBDMO CCC[N@@H+](CC[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000929967534 646380275 /nfs/dbraw/zinc/38/02/75/646380275.db2.gz AVZDOWHHZQEVHR-LLVKDONJSA-N 1 1 230.308 1.544 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000930096732 646433632 /nfs/dbraw/zinc/43/36/32/646433632.db2.gz JWHAVWIFNPHIHN-NSHDSACASA-N 1 1 228.292 1.012 20 5 BDBDMO COc1ccccc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930180982 646482199 /nfs/dbraw/zinc/48/21/99/646482199.db2.gz XBOUWYMMXWPJPP-VIFPVBQESA-N 1 1 224.260 1.623 20 5 BDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000712609558 712437443 /nfs/dbraw/zinc/43/74/43/712437443.db2.gz VQAVIOOFBTVBNP-VIFPVBQESA-N 1 1 236.275 1.414 20 5 BDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000712609558 712437445 /nfs/dbraw/zinc/43/74/45/712437445.db2.gz VQAVIOOFBTVBNP-VIFPVBQESA-N 1 1 236.275 1.414 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000712614344 712437999 /nfs/dbraw/zinc/43/79/99/712437999.db2.gz LBXKOMMQBRBISQ-MRVPVSSYSA-N 1 1 239.250 1.850 20 5 BDBDMO C[C@@H]1COCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007701 969334735 /nfs/dbraw/zinc/33/47/35/969334735.db2.gz 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BDBDMO C[N@@H+](CC1(C)COC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034589 969354168 /nfs/dbraw/zinc/35/41/68/969354168.db2.gz IEKAUAXVRIILSQ-GHMZBOCLSA-N 1 1 242.319 1.400 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@]23CCOC3)C1 ZINC001169049369 969363684 /nfs/dbraw/zinc/36/36/84/969363684.db2.gz WOIGQEBQMDLFGE-IJLUTSLNSA-N 1 1 240.303 1.297 20 5 BDBDMO CC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169049221 969363840 /nfs/dbraw/zinc/36/38/40/969363840.db2.gz WJDNMEBXMSQLDD-QJPTWQEYSA-N 1 1 240.303 1.343 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCOC3(CC3)C2)C1 ZINC001169047632 969364904 /nfs/dbraw/zinc/36/49/04/969364904.db2.gz RVMDWPRTDRZLQW-QWRGUYRKSA-N 1 1 240.303 1.297 20 5 BDBDMO C[N@@H+](Cc1ccno1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046894 969366124 /nfs/dbraw/zinc/36/61/24/969366124.db2.gz OFOZNKKQHSOUPC-ZJUUUORDSA-N 1 1 239.275 1.552 20 5 BDBDMO C[N@@H+]1CC[C@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225488894 974525573 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988304856 /nfs/dbraw/zinc/30/48/56/988304856.db2.gz FRSIUVKZIILDNX-UHFFFAOYSA-N 1 1 248.242 1.706 20 5 BDBDMO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001576168417 993201365 /nfs/dbraw/zinc/20/13/65/993201365.db2.gz LEBDRYQNUSWATP-AVPPRXQKSA-N 1 1 249.270 1.310 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000267024836 398269979 /nfs/dbraw/zinc/26/99/79/398269979.db2.gz LCUVSAOPYVCZKT-JTQLQIEISA-N 1 1 240.234 1.301 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000267024836 398269980 /nfs/dbraw/zinc/26/99/80/398269980.db2.gz LCUVSAOPYVCZKT-JTQLQIEISA-N 1 1 240.234 1.301 20 5 BDBDMO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351812832 136254658 /nfs/dbraw/zinc/25/46/58/136254658.db2.gz QTUQOSCNEZUIJN-CBAPKCEASA-N 1 1 242.300 1.469 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351812832 136254659 /nfs/dbraw/zinc/25/46/59/136254659.db2.gz QTUQOSCNEZUIJN-CBAPKCEASA-N 1 1 242.300 1.469 20 5 BDBDMO 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O=[N+]([O-])c1cc(C[NH2+]C/C=C\CO)cs1 ZINC000594974512 348162558 /nfs/dbraw/zinc/16/25/58/348162558.db2.gz KULYFQFJOOWOQC-UPHRSURJSA-N 1 1 228.273 1.294 20 5 BDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352186354 134099738 /nfs/dbraw/zinc/09/97/38/134099738.db2.gz LITYYYRCHRIXNA-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421007884 192297223 /nfs/dbraw/zinc/29/72/23/192297223.db2.gz AGWRUQTYBUYAKY-ZDUSSCGKSA-N 1 1 248.282 1.960 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421007884 192297225 /nfs/dbraw/zinc/29/72/25/192297225.db2.gz AGWRUQTYBUYAKY-ZDUSSCGKSA-N 1 1 248.282 1.960 20 5 BDBDMO C[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602427768 371802736 /nfs/dbraw/zinc/80/27/36/371802736.db2.gz APSOCBOQSGCHQU-VIFPVBQESA-N 1 1 238.291 1.560 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C)COC1 ZINC000602738671 371836087 /nfs/dbraw/zinc/83/60/87/371836087.db2.gz HWPUJPVOHOLCKQ-UHFFFAOYSA-N 1 1 236.271 1.782 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085999 371866185 /nfs/dbraw/zinc/86/61/85/371866185.db2.gz CRPDOOOLNRYJEV-GIPNMCIBSA-N 1 1 248.282 1.722 20 5 BDBDMO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccn[nH]2)cc1 ZINC000040675974 373586542 /nfs/dbraw/zinc/58/65/42/373586542.db2.gz OWLZMWLBIJMGLC-UHFFFAOYSA-N 1 1 246.270 1.650 20 5 BDBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000178021742 384194232 /nfs/dbraw/zinc/19/42/32/384194232.db2.gz WIMAJICTUPDPNT-GFCCVEGCSA-N 1 1 236.271 1.552 20 5 BDBDMO Cc1cn[nH]c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000289795371 384282518 /nfs/dbraw/zinc/28/25/18/384282518.db2.gz HYUJVUNTJXBWLG-UHFFFAOYSA-N 1 1 246.270 1.916 20 5 BDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000176199647 384466173 /nfs/dbraw/zinc/46/61/73/384466173.db2.gz DSOOYMKPECMPNR-UHFFFAOYSA-N 1 1 238.291 1.666 20 5 BDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176222459 384481810 /nfs/dbraw/zinc/48/18/10/384481810.db2.gz GLAOCZSTQKNZOD-UHFFFAOYSA-N 1 1 226.280 1.522 20 5 BDBDMO C[N@H+]1CCCC[C@H]1CCn1cnc([N+](=O)[O-])n1 ZINC000408014571 385405945 /nfs/dbraw/zinc/40/59/45/385405945.db2.gz PTAFPUUSAFWLHW-VIFPVBQESA-N 1 1 239.279 1.061 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000291281001 385852829 /nfs/dbraw/zinc/85/28/29/385852829.db2.gz QJVVSQQEGOJOJA-NXEZZACHSA-N 1 1 238.287 1.968 20 5 BDBDMO COC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000293733993 386654880 /nfs/dbraw/zinc/65/48/80/386654880.db2.gz ZNMYNIJENAEWEK-GFCCVEGCSA-N 1 1 236.271 1.816 20 5 BDBDMO COC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000293733993 386654884 /nfs/dbraw/zinc/65/48/84/386654884.db2.gz ZNMYNIJENAEWEK-GFCCVEGCSA-N 1 1 236.271 1.816 20 5 BDBDMO CC[N@@H+](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193396464 388345793 /nfs/dbraw/zinc/34/57/93/388345793.db2.gz OYFJCFYVAIERLW-UHFFFAOYSA-N 1 1 238.291 1.541 20 5 BDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CO)C2)cs1 ZINC000164320710 388390651 /nfs/dbraw/zinc/39/06/51/388390651.db2.gz IEFUGAUVNPWPIX-QMMMGPOBSA-N 1 1 242.300 1.471 20 5 BDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CO)C2)cs1 ZINC000164320710 388390654 /nfs/dbraw/zinc/39/06/54/388390654.db2.gz IEFUGAUVNPWPIX-QMMMGPOBSA-N 1 1 242.300 1.471 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](C)O ZINC000245748846 388430459 /nfs/dbraw/zinc/43/04/59/388430459.db2.gz GGXSLSVCOICJHY-VHSXEESVSA-N 1 1 238.287 1.968 20 5 BDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C)CC1 ZINC000078470397 388681648 /nfs/dbraw/zinc/68/16/48/388681648.db2.gz XDIWIVZFIBUVFB-UHFFFAOYSA-N 1 1 236.275 1.050 20 5 BDBDMO C[N@H+]1CCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000218041830 134251475 /nfs/dbraw/zinc/25/14/75/134251475.db2.gz UXUWPCGBEKORFK-VIFPVBQESA-N 1 1 236.275 1.496 20 5 BDBDMO CC[NH+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355782186 397971079 /nfs/dbraw/zinc/97/10/79/397971079.db2.gz FMQGEHGBYKXTHW-UHFFFAOYSA-N 1 1 212.253 1.170 20 5 BDBDMO CCC(C)(C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000330963365 168285856 /nfs/dbraw/zinc/28/58/56/168285856.db2.gz CQFKVHBAOXMBHE-UHFFFAOYSA-N 1 1 240.307 1.949 20 5 BDBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000042375253 173154388 /nfs/dbraw/zinc/15/43/88/173154388.db2.gz POPCBFCPJNTHLR-QMMMGPOBSA-N 1 1 222.248 1.106 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000159464497 176019360 /nfs/dbraw/zinc/01/93/60/176019360.db2.gz GGXSLSVCOICJHY-ZJUUUORDSA-N 1 1 238.287 1.968 20 5 BDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266887638 176171123 /nfs/dbraw/zinc/17/11/23/176171123.db2.gz CLSPIIWSMXTBJJ-SECBINFHSA-N 1 1 224.264 1.133 20 5 BDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000267612012 176295292 /nfs/dbraw/zinc/29/52/92/176295292.db2.gz BOLMAYSWANSHIR-AOOOYVTPSA-N 1 1 238.291 1.379 20 5 BDBDMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267092388 177162088 /nfs/dbraw/zinc/16/20/88/177162088.db2.gz QDMVIOYXSCPUSV-VIFPVBQESA-N 1 1 224.264 1.133 20 5 BDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929678 177337007 /nfs/dbraw/zinc/33/70/07/177337007.db2.gz RTSMGQDBGYCPJR-JOYOIKCWSA-N 1 1 236.271 1.550 20 5 BDBDMO [NH3+]C1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000203513836 583113031 /nfs/dbraw/zinc/11/30/31/583113031.db2.gz KLLPRJMBZHSQIP-UHFFFAOYSA-N 1 1 246.226 1.593 20 5 BDBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000893934580 583252431 /nfs/dbraw/zinc/25/24/31/583252431.db2.gz IDNMCALKBJNFIO-KOLCDFICSA-N 1 1 248.286 1.130 20 5 BDBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893936445 583252848 /nfs/dbraw/zinc/25/28/48/583252848.db2.gz WYYPIFHNUXAZAM-MWLCHTKSSA-N 1 1 248.286 1.130 20 5 BDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)CC[N+](=O)[O-] ZINC000791051633 583383881 /nfs/dbraw/zinc/38/38/81/583383881.db2.gz HFXOBLSTUDNJGW-NSHDSACASA-N 1 1 229.324 1.069 20 5 BDBDMO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c[nH]cn2)c1 ZINC000894368046 583439614 /nfs/dbraw/zinc/43/96/14/583439614.db2.gz XJVQNYWNGBWABG-UHFFFAOYSA-N 1 1 246.270 1.650 20 5 BDBDMO COCC1(C2CCC2)C[NH+](CC[N+](=O)[O-])C1 ZINC000899891066 584246065 /nfs/dbraw/zinc/24/60/65/584246065.db2.gz HHYNAWFYFICWKA-UHFFFAOYSA-N 1 1 228.292 1.012 20 5 BDBDMO Cc1cn(CCCc2c[nH+]cn2C)nc1[N+](=O)[O-] ZINC000902373278 584566773 /nfs/dbraw/zinc/56/67/73/584566773.db2.gz PIRXFXAHAWINFM-UHFFFAOYSA-N 1 1 249.274 1.466 20 5 BDBDMO C[C@H]1C[NH+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000751928078 585239679 /nfs/dbraw/zinc/23/96/79/585239679.db2.gz LPOPCLXPAUMKRW-IUCAKERBSA-N 1 1 224.264 1.337 20 5 BDBDMO CC(C)[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000755919616 585310682 /nfs/dbraw/zinc/31/06/82/585310682.db2.gz JDNFIEPIBCNTHV-SNVBAGLBSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000761076215 585405837 /nfs/dbraw/zinc/40/58/37/585405837.db2.gz JMCOGTGSIJXBAH-NSHDSACASA-N 1 1 249.314 1.731 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000791054804 585972986 /nfs/dbraw/zinc/97/29/86/585972986.db2.gz YHLDIROACVUDDD-CYBMUJFWSA-N 1 1 234.299 1.970 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000791055734 585973568 /nfs/dbraw/zinc/97/35/68/585973568.db2.gz WIAHVHZAOJUILW-LLVKDONJSA-N 1 1 221.260 1.495 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000791055734 585973569 /nfs/dbraw/zinc/97/35/69/585973569.db2.gz WIAHVHZAOJUILW-LLVKDONJSA-N 1 1 221.260 1.495 20 5 BDBDMO C[C@H](NCCC[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817938216 586844550 /nfs/dbraw/zinc/84/45/50/586844550.db2.gz GWYXKZNUFUZMIY-QMMMGPOBSA-N 1 1 238.291 1.176 20 5 BDBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000841688898 587972004 /nfs/dbraw/zinc/97/20/04/587972004.db2.gz HUVZACNFVJNSND-KXUCPTDWSA-N 1 1 238.291 1.725 20 5 BDBDMO C[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000841688902 587972172 /nfs/dbraw/zinc/97/21/72/587972172.db2.gz HUVZACNFVJNSND-UTLUCORTSA-N 1 1 238.291 1.725 20 5 BDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCCC1 ZINC000885945017 592112860 /nfs/dbraw/zinc/11/28/60/592112860.db2.gz XWSHUIPCZPXDMH-UHFFFAOYSA-N 1 1 207.233 1.586 20 5 BDBDMO C[N@H+](CCCF)Cc1cccnc1[N+](=O)[O-] ZINC000887143694 592461453 /nfs/dbraw/zinc/46/14/53/592461453.db2.gz MFCIUHDIHCOHNG-UHFFFAOYSA-N 1 1 227.239 1.781 20 5 BDBDMO C[N@@H+](CCCF)Cc1cccnc1[N+](=O)[O-] ZINC000887143694 592461455 /nfs/dbraw/zinc/46/14/55/592461455.db2.gz MFCIUHDIHCOHNG-UHFFFAOYSA-N 1 1 227.239 1.781 20 5 BDBDMO CC(C)[C@H]1[N@@H+](CC[N+](=O)[O-])CC1(C)C ZINC000899886188 637147540 /nfs/dbraw/zinc/14/75/40/637147540.db2.gz SAQVQULSHITBKT-SECBINFHSA-N 1 1 200.282 1.630 20 5 BDBDMO CC(C)[C@@H]1[N@@H+](CC[N+](=O)[O-])CC1(C)C ZINC000899886189 637148319 /nfs/dbraw/zinc/14/83/19/637148319.db2.gz SAQVQULSHITBKT-VIFPVBQESA-N 1 1 200.282 1.630 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(F)cc1F ZINC000905038679 637560132 /nfs/dbraw/zinc/56/01/32/637560132.db2.gz PUPHKWQFZHPXOW-UHFFFAOYSA-N 1 1 216.187 1.331 20 5 BDBDMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC[N+](=O)[O-])o1 ZINC000905056414 637586961 /nfs/dbraw/zinc/58/69/61/637586961.db2.gz ZHGBSWVRLBADGA-SCZZXKLOSA-N 1 1 224.260 1.769 20 5 BDBDMO CC(C)Oc1cc(C[NH2+]CC[N+](=O)[O-])ccn1 ZINC000905180869 637663852 /nfs/dbraw/zinc/66/38/52/637663852.db2.gz QXPLTOXWBGRWFR-UHFFFAOYSA-N 1 1 239.275 1.235 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(Cl)cc1F ZINC000905219858 637701886 /nfs/dbraw/zinc/70/18/86/637701886.db2.gz SSXNSJZFEDBFNH-UHFFFAOYSA-N 1 1 232.642 1.845 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1cnccc1C(F)(F)F ZINC000905387537 637786631 /nfs/dbraw/zinc/78/66/31/637786631.db2.gz VVWXBXDVMISSLM-UHFFFAOYSA-N 1 1 249.192 1.467 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000930317009 639700550 /nfs/dbraw/zinc/70/05/50/639700550.db2.gz WBOKHMLSRDIXIJ-SNVBAGLBSA-N 1 1 221.260 1.148 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000930317009 639700557 /nfs/dbraw/zinc/70/05/57/639700557.db2.gz WBOKHMLSRDIXIJ-SNVBAGLBSA-N 1 1 221.260 1.148 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000930317008 639701465 /nfs/dbraw/zinc/70/14/65/639701465.db2.gz WBOKHMLSRDIXIJ-JTQLQIEISA-N 1 1 221.260 1.148 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000930317008 639701477 /nfs/dbraw/zinc/70/14/77/639701477.db2.gz WBOKHMLSRDIXIJ-JTQLQIEISA-N 1 1 221.260 1.148 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000930612483 639820369 /nfs/dbraw/zinc/82/03/69/639820369.db2.gz QTYISKCVHWQHKZ-QJPTWQEYSA-N 1 1 242.319 1.279 20 5 BDBDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000930660284 639849814 /nfs/dbraw/zinc/84/98/14/639849814.db2.gz KLEXKJXMCJSJMB-VHSXEESVSA-N 1 1 200.282 1.774 20 5 BDBDMO CCOC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930696314 639864278 /nfs/dbraw/zinc/86/42/78/639864278.db2.gz FNRJBOPLUCRRBU-JTQLQIEISA-N 1 1 216.281 1.154 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000930885829 639969379 /nfs/dbraw/zinc/96/93/79/639969379.db2.gz PWGDTCWGXMOBBS-NSHDSACASA-N 1 1 228.292 1.297 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000930885829 639969387 /nfs/dbraw/zinc/96/93/87/639969387.db2.gz PWGDTCWGXMOBBS-NSHDSACASA-N 1 1 228.292 1.297 20 5 BDBDMO Cc1ncc([C@H](C)[NH2+]CC[N+](=O)[O-])s1 ZINC000931468215 640227369 /nfs/dbraw/zinc/22/73/69/640227369.db2.gz UEHKNSUCWLGXOW-LURJTMIESA-N 1 1 215.278 1.379 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000931612848 640288035 /nfs/dbraw/zinc/28/80/35/640288035.db2.gz VHNAEGCXMCYQON-AWEZNQCLSA-N 1 1 246.310 1.853 20 5 BDBDMO CC1(C)[C@@H]2C[N@@H+](Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000172938948 641136565 /nfs/dbraw/zinc/13/65/65/641136565.db2.gz KFWZUCLGYWIDID-AOOOYVTPSA-N 1 1 236.275 1.337 20 5 BDBDMO CC1(C)[C@@H]2C[N@H+](Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000172938948 641136568 /nfs/dbraw/zinc/13/65/68/641136568.db2.gz KFWZUCLGYWIDID-AOOOYVTPSA-N 1 1 236.275 1.337 20 5 BDBDMO CCC[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000063730707 641220441 /nfs/dbraw/zinc/22/04/41/641220441.db2.gz MRGVQYKIWFQWKX-UHFFFAOYSA-N 1 1 226.280 1.707 20 5 BDBDMO CCC[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000063730707 641220444 /nfs/dbraw/zinc/22/04/44/641220444.db2.gz MRGVQYKIWFQWKX-UHFFFAOYSA-N 1 1 226.280 1.707 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934833509 641285155 /nfs/dbraw/zinc/28/51/55/641285155.db2.gz XKBOWQZHMFEGDE-VXGBXAGGSA-N 1 1 242.319 1.402 20 5 BDBDMO CCCC[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000078329839 641914785 /nfs/dbraw/zinc/91/47/85/641914785.db2.gz JPUFWYIDXWNSHC-UHFFFAOYSA-N 1 1 212.253 1.481 20 5 BDBDMO CCCC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000078329839 641914789 /nfs/dbraw/zinc/91/47/89/641914789.db2.gz JPUFWYIDXWNSHC-UHFFFAOYSA-N 1 1 212.253 1.481 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCC[N@@H+]1C ZINC000916773052 641977626 /nfs/dbraw/zinc/97/76/26/641977626.db2.gz ODFYTDMOEZNHAY-VIFPVBQESA-N 1 1 224.264 1.194 20 5 BDBDMO O=[N+]([O-])c1ccnn1C[NH+]1C2CCC1CC2 ZINC000917422555 642060782 /nfs/dbraw/zinc/06/07/82/642060782.db2.gz KDSMORNHTXJABX-UHFFFAOYSA-N 1 1 222.248 1.376 20 5 BDBDMO CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000917483742 642067201 /nfs/dbraw/zinc/06/72/01/642067201.db2.gz WDCUOKTXJNUVFH-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000192764838 644182004 /nfs/dbraw/zinc/18/20/04/644182004.db2.gz TVMCSLKFABDRKF-UHFFFAOYSA-N 1 1 210.237 1.233 20 5 BDBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000192764838 644182006 /nfs/dbraw/zinc/18/20/06/644182006.db2.gz TVMCSLKFABDRKF-UHFFFAOYSA-N 1 1 210.237 1.233 20 5 BDBDMO C[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000194622845 644334330 /nfs/dbraw/zinc/33/43/30/644334330.db2.gz HPFINMOVXSKEQC-SNVBAGLBSA-N 1 1 238.291 1.871 20 5 BDBDMO C[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000194622845 644334337 /nfs/dbraw/zinc/33/43/37/644334337.db2.gz HPFINMOVXSKEQC-SNVBAGLBSA-N 1 1 238.291 1.871 20 5 BDBDMO [NH3+][C@@H]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000093215868 644681845 /nfs/dbraw/zinc/68/18/45/644681845.db2.gz JKACJQIPAZOZPO-VXGBXAGGSA-N 1 1 249.314 1.954 20 5 BDBDMO O=[N+]([O-])CC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000930226753 645456250 /nfs/dbraw/zinc/45/62/50/645456250.db2.gz NBDZFBOAUMNZJL-UHFFFAOYSA-N 1 1 224.235 1.681 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000928573506 645834622 /nfs/dbraw/zinc/83/46/22/645834622.db2.gz PYIRPIOYFCTNKK-LLVKDONJSA-N 1 1 249.270 1.029 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000928573506 645834624 /nfs/dbraw/zinc/83/46/24/645834624.db2.gz PYIRPIOYFCTNKK-LLVKDONJSA-N 1 1 249.270 1.029 20 5 BDBDMO COc1ccc([C@@H](C)[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929115945 645951157 /nfs/dbraw/zinc/95/11/57/645951157.db2.gz XLKDLQVXLKQKSO-SNVBAGLBSA-N 1 1 238.287 1.965 20 5 BDBDMO COc1ccc([C@@H](C)[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929115945 645951167 /nfs/dbraw/zinc/95/11/67/645951167.db2.gz XLKDLQVXLKQKSO-SNVBAGLBSA-N 1 1 238.287 1.965 20 5 BDBDMO CCC(CC)[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000929477028 646133540 /nfs/dbraw/zinc/13/35/40/646133540.db2.gz VGGGDHLGHUAFGX-UHFFFAOYSA-N 1 1 200.282 1.916 20 5 BDBDMO CC[N@H+]1CC[C@H](N(C)CC[N+](=O)[O-])C[C@H]1C ZINC000929782300 646307424 /nfs/dbraw/zinc/30/74/24/646307424.db2.gz UNOFHRHEJPMFDS-MNOVXSKESA-N 1 1 229.324 1.068 20 5 BDBDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929834517 646349950 /nfs/dbraw/zinc/34/99/50/646349950.db2.gz MQJLGZHGZVOQMX-NSHDSACASA-N 1 1 238.291 1.142 20 5 BDBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929834517 646349956 /nfs/dbraw/zinc/34/99/56/646349956.db2.gz MQJLGZHGZVOQMX-NSHDSACASA-N 1 1 238.291 1.142 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000930116291 646441628 /nfs/dbraw/zinc/44/16/28/646441628.db2.gz VLLSRUKDOOGPJF-NSHDSACASA-N 1 1 221.260 1.495 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000930116291 646441630 /nfs/dbraw/zinc/44/16/30/646441630.db2.gz VLLSRUKDOOGPJF-NSHDSACASA-N 1 1 221.260 1.495 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712591755 712435586 /nfs/dbraw/zinc/43/55/86/712435586.db2.gz MGLGIVLLWZOPLP-SSDOTTSWSA-N 1 1 227.289 1.772 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712591755 712435588 /nfs/dbraw/zinc/43/55/88/712435588.db2.gz MGLGIVLLWZOPLP-SSDOTTSWSA-N 1 1 227.289 1.772 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593775 712435593 /nfs/dbraw/zinc/43/55/93/712435593.db2.gz ILLIOGFLRRPZDH-QMMMGPOBSA-N 1 1 222.248 1.106 20 5 BDBDMO CC[C@@H](c1ccncc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791054598 712422216 /nfs/dbraw/zinc/42/22/16/712422216.db2.gz LPKYYFISCMDIRR-NSHDSACASA-N 1 1 223.276 1.741 20 5 BDBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791054598 712422218 /nfs/dbraw/zinc/42/22/18/712422218.db2.gz LPKYYFISCMDIRR-NSHDSACASA-N 1 1 223.276 1.741 20 5 BDBDMO CC[N@H+]1CC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712594323 712435465 /nfs/dbraw/zinc/43/54/65/712435465.db2.gz LFDKDNOGQWDAQI-VIFPVBQESA-N 1 1 236.275 1.496 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712613999 712438065 /nfs/dbraw/zinc/43/80/65/712438065.db2.gz JUYVSYMSRRWWSD-SECBINFHSA-N 1 1 239.250 1.850 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712613999 712438066 /nfs/dbraw/zinc/43/80/66/712438066.db2.gz JUYVSYMSRRWWSD-SECBINFHSA-N 1 1 239.250 1.850 20 5 BDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886331989 712654500 /nfs/dbraw/zinc/65/45/00/712654500.db2.gz NIGFLDMGWFOSCB-PHIMTYICSA-N 1 1 248.282 1.925 20 5 BDBDMO C[C@@H]1[C@@H](NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719604330 712815915 /nfs/dbraw/zinc/81/59/15/712815915.db2.gz UUUDAXZAUGDMCN-PWSUYJOCSA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@@H]1[C@@H](NCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719604330 712815917 /nfs/dbraw/zinc/81/59/17/712815917.db2.gz UUUDAXZAUGDMCN-PWSUYJOCSA-N 1 1 249.314 1.777 20 5 BDBDMO CO[C@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006412 969328616 /nfs/dbraw/zinc/32/86/16/969328616.db2.gz HZWFFJUTNIFJHC-NAKRPEOUSA-N 1 1 246.282 1.101 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H](O)C2)C1 ZINC001169010283 969338256 /nfs/dbraw/zinc/33/82/56/969338256.db2.gz CEGTXZBVNKVKDJ-IJLUTSLNSA-N 1 1 242.319 1.279 20 5 BDBDMO COC[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010143 969340193 /nfs/dbraw/zinc/34/01/93/969340193.db2.gz BLTDNKVWQOLNPI-UTUOFQBUSA-N 1 1 242.319 1.400 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2CF)C1 ZINC001169054661 969371858 /nfs/dbraw/zinc/37/18/58/969371858.db2.gz NFXMVJUMTSCXLL-OUAUKWLOSA-N 1 1 230.283 1.866 20 5 BDBDMO CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965924 969318032 /nfs/dbraw/zinc/31/80/32/969318032.db2.gz DKTUHIKLCZNHBW-VXGBXAGGSA-N 1 1 243.351 1.493 20 5 BDBDMO CC(C)[N@@H+](CCN)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966032 969319434 /nfs/dbraw/zinc/31/94/34/969319434.db2.gz FXFFWCCFQJORSO-WDEREUQCSA-N 1 1 229.324 1.101 20 5 BDBDMO CCC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006806 969330679 /nfs/dbraw/zinc/33/06/79/969330679.db2.gz JISDTJIWQWBAQY-NXEZZACHSA-N 1 1 200.282 1.774 20 5 BDBDMO COC[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010142 969337650 /nfs/dbraw/zinc/33/76/50/969337650.db2.gz BLTDNKVWQOLNPI-TUAOUCFPSA-N 1 1 242.319 1.400 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)C1 ZINC001169011962 969338823 /nfs/dbraw/zinc/33/88/23/969338823.db2.gz NWYPINFWVICIAU-WTPMCQDGSA-N 1 1 242.294 1.722 20 5 BDBDMO C[C@]1(CO)CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011227 969339326 /nfs/dbraw/zinc/33/93/26/969339326.db2.gz IVWCGXRGFBIMMU-SRVKXCTJSA-N 1 1 242.319 1.136 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC3(COC3)C2)C1 ZINC001169010707 969339495 /nfs/dbraw/zinc/33/94/95/969339495.db2.gz FRNZTQIFOTWNST-WDEREUQCSA-N 1 1 240.303 1.154 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCC23COC3)C1 ZINC001169034548 969352676 /nfs/dbraw/zinc/35/26/76/969352676.db2.gz HOPHASQEZLGERC-WDEREUQCSA-N 1 1 240.303 1.297 20 5 BDBDMO C[C@]1(O)CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034522 969354284 /nfs/dbraw/zinc/35/42/84/969354284.db2.gz HDSGHQBJYYQJIY-TUAOUCFPSA-N 1 1 242.319 1.279 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)CO1 ZINC001169035864 969355241 /nfs/dbraw/zinc/35/52/41/969355241.db2.gz DOSKTSLADQMSIV-KKOKHZNYSA-N 1 1 242.319 1.541 20 5 BDBDMO O=C1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169021006 969360488 /nfs/dbraw/zinc/36/04/88/969360488.db2.gz NECWRFHFADIJHN-GHMZBOCLSA-N 1 1 240.303 1.487 20 5 BDBDMO CCO[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047881 969363804 /nfs/dbraw/zinc/36/38/04/969363804.db2.gz SFNADFBKQBBIGB-GRYCIOLGSA-N 1 1 242.319 1.543 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]23CCOC3)C1 ZINC001169049370 969364055 /nfs/dbraw/zinc/36/40/55/969364055.db2.gz WOIGQEBQMDLFGE-UTUOFQBUSA-N 1 1 240.303 1.297 20 5 BDBDMO CC(C)(C[NH3+])N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572192 969740170 /nfs/dbraw/zinc/74/01/70/969740170.db2.gz JLFBOMHGXMQESE-NSHDSACASA-N 1 1 249.314 1.389 20 5 BDBDMO CC[NH+]1CC(OCc2cccc([N+](=O)[O-])c2)C1 ZINC001222768536 972689978 /nfs/dbraw/zinc/68/99/78/972689978.db2.gz KHYCFIIEINCAFJ-UHFFFAOYSA-N 1 1 236.271 1.816 20 5 BDBDMO C[N@H+]1CCCC[C@H]1CO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224708320 973879044 /nfs/dbraw/zinc/87/90/44/973879044.db2.gz XHAQYDUDXMPZHR-RYUDHWBXSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226335586 974863150 /nfs/dbraw/zinc/86/31/50/974863150.db2.gz JGWHUZCACWTKJC-QMMMGPOBSA-N 1 1 238.243 1.383 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226755208 975058630 /nfs/dbraw/zinc/05/86/30/975058630.db2.gz KFYNNEQWNYMCRX-QMMMGPOBSA-N 1 1 241.222 1.212 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227479767 975459307 /nfs/dbraw/zinc/45/93/07/975459307.db2.gz KCPFAGSZEHLHPX-VIFPVBQESA-N 1 1 222.244 1.678 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1cccc(Cl)c1F ZINC001336292892 977620525 /nfs/dbraw/zinc/62/05/25/977620525.db2.gz ANWFARJNJLHIJP-UHFFFAOYSA-N 1 1 232.642 1.845 20 5 BDBDMO Cc1nccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](C)C1 ZINC001234903379 978927079 /nfs/dbraw/zinc/92/70/79/978927079.db2.gz LVSNPXPKXLEKBN-VIFPVBQESA-N 1 1 237.259 1.381 20 5 BDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC(C)(C)C1 ZINC001354590517 983326197 /nfs/dbraw/zinc/32/61/97/983326197.db2.gz HLPAYYQXPNLXAW-SECBINFHSA-N 1 1 200.282 1.631 20 5 BDBDMO C[C@H]1CC[C@@H](CN)[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246545426 987920634 /nfs/dbraw/zinc/92/06/34/987920634.db2.gz KPCUQNHTSLIDPM-USZNOCQGSA-N 1 1 241.335 1.243 20 5 BDBDMO CC[C@H](N)C[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246972688 988799726 /nfs/dbraw/zinc/79/97/26/988799726.db2.gz DUZDAPGGGPYKOA-OUAUKWLOSA-N 1 1 229.324 1.101 20 5 BDBDMO CC[C@H]([NH3+])CN(C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246972688 988799735 /nfs/dbraw/zinc/79/97/35/988799735.db2.gz DUZDAPGGGPYKOA-OUAUKWLOSA-N 1 1 229.324 1.101 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001119668816 989315005 /nfs/dbraw/zinc/31/50/05/989315005.db2.gz XHZZEDOUKSPVPS-GHMZBOCLSA-N 1 1 212.293 1.775 20 5 BDBDMO CC(C)[N@@H+](C)CCNc1cccnc1[N+](=O)[O-] ZINC000134497545 342859003 /nfs/dbraw/zinc/85/90/03/342859003.db2.gz VRTSIQMBPNYFLZ-UHFFFAOYSA-N 1 1 238.291 1.742 20 5 BDBDMO Cc1c(C[N@@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000048347152 343578833 /nfs/dbraw/zinc/57/88/33/343578833.db2.gz KSTAYVLLFNFZNV-UHFFFAOYSA-N 1 1 224.260 1.327 20 5 BDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC1CC1)CC2 ZINC000612469101 344899501 /nfs/dbraw/zinc/89/95/01/344899501.db2.gz OQQWDKYHKSFGAL-UHFFFAOYSA-N 1 1 233.271 1.758 20 5 BDBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000593110314 347861135 /nfs/dbraw/zinc/86/11/35/347861135.db2.gz UMDAXIZNDJVCPB-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO CN1CC(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597202483 348676279 /nfs/dbraw/zinc/67/62/79/348676279.db2.gz CKOXOBVEVGMCRB-UHFFFAOYSA-N 1 1 249.314 1.588 20 5 BDBDMO CN(Cc1cccc([N+](=O)[O-])c1)CC1C[NH+](C)C1 ZINC000597202483 348676283 /nfs/dbraw/zinc/67/62/83/348676283.db2.gz CKOXOBVEVGMCRB-UHFFFAOYSA-N 1 1 249.314 1.588 20 5 BDBDMO Cc1[nH+]ccn1CCCCn1cc([N+](=O)[O-])cn1 ZINC000124656926 180235226 /nfs/dbraw/zinc/23/52/26/180235226.db2.gz OQCJTHZPSKUPFA-UHFFFAOYSA-N 1 1 249.274 1.777 20 5 BDBDMO C[N@H+]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609493299 350428923 /nfs/dbraw/zinc/42/89/23/350428923.db2.gz FPEKPLTVXWHVIF-SECBINFHSA-N 1 1 249.270 1.485 20 5 BDBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000355789740 351432670 /nfs/dbraw/zinc/43/26/70/351432670.db2.gz QZWDTOYINKDYGO-UHFFFAOYSA-N 1 1 240.307 1.806 20 5 BDBDMO CCO[C@H]1C[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309970722 370281059 /nfs/dbraw/zinc/28/10/59/370281059.db2.gz PJTIRJQITQYLPV-IUCAKERBSA-N 1 1 242.300 1.923 20 5 BDBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473416 371810578 /nfs/dbraw/zinc/81/05/78/371810578.db2.gz QWFINZBFSMRSRS-IUCAKERBSA-N 1 1 238.291 1.559 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602486428 371813914 /nfs/dbraw/zinc/81/39/14/371813914.db2.gz UFIFTMWNXHQEPQ-BDAKNGLRSA-N 1 1 238.291 1.559 20 5 BDBDMO CCCc1[nH+]ccn1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603332405 371885648 /nfs/dbraw/zinc/88/56/48/371885648.db2.gz LBFKLVIRIGQJAS-UHFFFAOYSA-N 1 1 249.274 1.526 20 5 BDBDMO CCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835649 169079066 /nfs/dbraw/zinc/07/90/66/169079066.db2.gz ILMJPFCFXZKGJV-UHFFFAOYSA-N 1 1 212.253 1.133 20 5 BDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000339562923 383994209 /nfs/dbraw/zinc/99/42/09/383994209.db2.gz OWZZQFCLJUXDLB-BDAKNGLRSA-N 1 1 224.264 1.132 20 5 BDBDMO C[C@H](C[NH3+])CNCc1cccc([N+](=O)[O-])c1 ZINC000309420188 384183095 /nfs/dbraw/zinc/18/30/95/384183095.db2.gz XUQWAKSJMMZJJW-SECBINFHSA-N 1 1 223.276 1.279 20 5 BDBDMO N[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422737434 384468414 /nfs/dbraw/zinc/46/84/14/384468414.db2.gz IFCKVHLTUWFCOK-CHWSQXEVSA-N 1 1 249.314 1.607 20 5 BDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929680 384715356 /nfs/dbraw/zinc/71/53/56/384715356.db2.gz RTSMGQDBGYCPJR-SKDRFNHKSA-N 1 1 236.271 1.550 20 5 BDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106883047 384934705 /nfs/dbraw/zinc/93/47/05/384934705.db2.gz DGMWKVYIAOSUPM-GFCCVEGCSA-N 1 1 236.271 1.816 20 5 BDBDMO C[NH+](C)C1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000397976550 385732055 /nfs/dbraw/zinc/73/20/55/385732055.db2.gz PDFTXCSYMKLAFW-UHFFFAOYSA-N 1 1 249.314 1.779 20 5 BDBDMO Cc1ccc(CNC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414871618 385862494 /nfs/dbraw/zinc/86/24/94/385862494.db2.gz DPMVAWIPVPCILM-VIFPVBQESA-N 1 1 237.303 1.588 20 5 BDBDMO CC[C@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000294078504 386352674 /nfs/dbraw/zinc/35/26/74/386352674.db2.gz LHYMOLJTGUALEM-LLVKDONJSA-N 1 1 238.287 1.798 20 5 BDBDMO [NH3+]CC(F)(F)CNCc1ccccc1[N+](=O)[O-] ZINC000414905702 387601352 /nfs/dbraw/zinc/60/13/52/387601352.db2.gz BMHPRVQARDYANI-UHFFFAOYSA-N 1 1 245.229 1.278 20 5 BDBDMO C[N@@H+](CCCO)Cc1ccccc1[N+](=O)[O-] ZINC000045915229 388003660 /nfs/dbraw/zinc/00/36/60/388003660.db2.gz WUJASGSLACIAAD-UHFFFAOYSA-N 1 1 224.260 1.409 20 5 BDBDMO CC[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446719773 388733754 /nfs/dbraw/zinc/73/37/54/388733754.db2.gz QOUNSQSCXVERMN-VIFPVBQESA-N 1 1 238.291 1.560 20 5 BDBDMO Cc1cccc(N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000275508645 132205170 /nfs/dbraw/zinc/20/51/70/132205170.db2.gz UKBVAHRWPJLPDR-UHFFFAOYSA-N 1 1 235.287 1.655 20 5 BDBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000352186188 134099881 /nfs/dbraw/zinc/09/98/81/134099881.db2.gz JSPDMANRXCKFKQ-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000558713817 397925987 /nfs/dbraw/zinc/92/59/87/397925987.db2.gz OZESCTGHBHQDCQ-QMMMGPOBSA-N 1 1 238.291 1.559 20 5 BDBDMO C[C@H](CN)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414939392 398117172 /nfs/dbraw/zinc/11/71/72/398117172.db2.gz YJZZMOODQJXGPF-AYYIZTPMSA-N 1 1 235.287 1.545 20 5 BDBDMO CC1=CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330463760 168115208 /nfs/dbraw/zinc/11/52/08/168115208.db2.gz NYQIMCIUEXHEOI-UHFFFAOYSA-N 1 1 236.275 1.443 20 5 BDBDMO CCC(C)(C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000331001299 168286974 /nfs/dbraw/zinc/28/69/74/168286974.db2.gz QLHMBJRINGWILM-UHFFFAOYSA-N 1 1 240.307 1.912 20 5 BDBDMO C[N@H+]1CCCC[C@H]1CCn1cnc([N+](=O)[O-])c1 ZINC000283793063 173007459 /nfs/dbraw/zinc/00/74/59/173007459.db2.gz GAGXRUKYXVFLFN-JTQLQIEISA-N 1 1 238.291 1.666 20 5 BDBDMO C[N@@H+]1CCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000227440448 173055710 /nfs/dbraw/zinc/05/57/10/173055710.db2.gz BDSQFZCIEGXIGX-LBPRGKRZSA-N 1 1 249.314 1.779 20 5 BDBDMO C[N@H+]1CCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000227440448 173055711 /nfs/dbraw/zinc/05/57/11/173055711.db2.gz BDSQFZCIEGXIGX-LBPRGKRZSA-N 1 1 249.314 1.779 20 5 BDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCO ZINC000090740883 176026313 /nfs/dbraw/zinc/02/63/13/176026313.db2.gz OYUKJTXFUWAPBL-VIFPVBQESA-N 1 1 224.260 1.580 20 5 BDBDMO C[C@H]1C[N@H+](C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014217 177238654 /nfs/dbraw/zinc/23/86/54/177238654.db2.gz KFIQJDUNZNBFRE-GXFFZTMASA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@H]1C[N@@H+](C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014217 177238655 /nfs/dbraw/zinc/23/86/55/177238655.db2.gz KFIQJDUNZNBFRE-GXFFZTMASA-N 1 1 249.314 1.635 20 5 BDBDMO CC1(C)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174845091 528944255 /nfs/dbraw/zinc/94/42/55/528944255.db2.gz OMYVDDIPIOFMEG-UHFFFAOYSA-N 1 1 238.291 1.666 20 5 BDBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(CF)C2)cc1 ZINC000563607596 323131344 /nfs/dbraw/zinc/13/13/44/323131344.db2.gz OERLVXVHFLAJEI-UHFFFAOYSA-N 1 1 224.235 1.996 20 5 BDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCO)C2 ZINC000305433590 323170111 /nfs/dbraw/zinc/17/01/11/323170111.db2.gz GNHRLUSLVAYMGP-UHFFFAOYSA-N 1 1 236.271 1.335 20 5 BDBDMO C[C@@H]1C[NH+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000751928079 585239613 /nfs/dbraw/zinc/23/96/13/585239613.db2.gz LPOPCLXPAUMKRW-RKDXNWHRSA-N 1 1 224.264 1.337 20 5 BDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000761070689 585404973 /nfs/dbraw/zinc/40/49/73/585404973.db2.gz OKINIQYRNXFPDP-LLVKDONJSA-N 1 1 249.314 1.731 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782611387 585822122 /nfs/dbraw/zinc/82/21/22/585822122.db2.gz CQZFOEHMONUFMK-WCQYABFASA-N 1 1 248.282 1.409 20 5 BDBDMO CC[N@H+](CC[N+](=O)[O-])Cc1cccs1 ZINC000791052702 585972665 /nfs/dbraw/zinc/97/26/65/585972665.db2.gz AQDGQNDQTOSEJP-UHFFFAOYSA-N 1 1 214.290 1.847 20 5 BDBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1cccs1 ZINC000791052702 585972666 /nfs/dbraw/zinc/97/26/66/585972666.db2.gz AQDGQNDQTOSEJP-UHFFFAOYSA-N 1 1 214.290 1.847 20 5 BDBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000791055812 585973644 /nfs/dbraw/zinc/97/36/44/585973644.db2.gz YVDPIBJRKVYIKB-QWRGUYRKSA-N 1 1 238.291 1.043 20 5 BDBDMO CO[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886033623 592137298 /nfs/dbraw/zinc/13/72/98/592137298.db2.gz XKZUQHLCSBVOQT-SNVBAGLBSA-N 1 1 237.259 1.211 20 5 BDBDMO CO[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886033623 592137300 /nfs/dbraw/zinc/13/73/00/592137300.db2.gz XKZUQHLCSBVOQT-SNVBAGLBSA-N 1 1 237.259 1.211 20 5 BDBDMO Cc1c(C[N@@H+]2CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000934028505 631625794 /nfs/dbraw/zinc/62/57/94/631625794.db2.gz YLMAMLZFSDRGJE-LLVKDONJSA-N 1 1 236.271 1.470 20 5 BDBDMO Cc1c(C[N@H+]2CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000934028505 631625798 /nfs/dbraw/zinc/62/57/98/631625798.db2.gz YLMAMLZFSDRGJE-LLVKDONJSA-N 1 1 236.271 1.470 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]1CO ZINC000934033125 631633385 /nfs/dbraw/zinc/63/33/85/631633385.db2.gz ZQCFQOJJPPOBSY-BXKDBHETSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]1CO ZINC000934033125 631633391 /nfs/dbraw/zinc/63/33/91/631633391.db2.gz ZQCFQOJJPPOBSY-BXKDBHETSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@@H]([N@H+](C)Cn1nccc1[N+](=O)[O-])C1(C)CC1 ZINC000176831067 632531958 /nfs/dbraw/zinc/53/19/58/632531958.db2.gz MTNQPGWCXFYNFK-SECBINFHSA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@@H]([N@@H+](C)Cn1nccc1[N+](=O)[O-])C1(C)CC1 ZINC000176831067 632531961 /nfs/dbraw/zinc/53/19/61/632531961.db2.gz MTNQPGWCXFYNFK-SECBINFHSA-N 1 1 238.291 1.869 20 5 BDBDMO Cc1[nH+]ccn1CCNc1cccnc1[N+](=O)[O-] ZINC000310929836 633026893 /nfs/dbraw/zinc/02/68/93/633026893.db2.gz LKBGNFDWXYLRBV-UHFFFAOYSA-N 1 1 247.258 1.607 20 5 BDBDMO O=C1CCCC12CC[NH+](CC[N+](=O)[O-])CC2 ZINC000931038984 634192317 /nfs/dbraw/zinc/19/23/17/634192317.db2.gz PPOFFYOXCVVYKQ-UHFFFAOYSA-N 1 1 226.276 1.098 20 5 BDBDMO CC(C)[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H]1C(C)C ZINC000899886999 637148287 /nfs/dbraw/zinc/14/82/87/637148287.db2.gz MPLHWEZBFRMOMK-WDEREUQCSA-N 1 1 214.309 1.876 20 5 BDBDMO CC(C)[C@H]1C[N@@H+](CC[N+](=O)[O-])[C@H]1C(C)C ZINC000899886997 637148711 /nfs/dbraw/zinc/14/87/11/637148711.db2.gz MPLHWEZBFRMOMK-MNOVXSKESA-N 1 1 214.309 1.876 20 5 BDBDMO CC[C@H]1CCCC[N@H+]1CCNCC[N+](=O)[O-] ZINC000905114595 637619646 /nfs/dbraw/zinc/61/96/46/637619646.db2.gz OQNMNMQXONDPQG-NSHDSACASA-N 1 1 229.324 1.117 20 5 BDBDMO Cc1ccc2c(c1)[C@@H]([NH2+]CC[N+](=O)[O-])CO2 ZINC000905167901 637679893 /nfs/dbraw/zinc/67/98/93/637679893.db2.gz WTXNODLAULARSL-JTQLQIEISA-N 1 1 222.244 1.295 20 5 BDBDMO C[C@@H]1CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975249 637991423 /nfs/dbraw/zinc/99/14/23/637991423.db2.gz PYNMUXPDVVKSHW-SKDRFNHKSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930273137 639675172 /nfs/dbraw/zinc/67/51/72/639675172.db2.gz DUUHGSACJPABER-RNFRBKRXSA-N 1 1 226.198 1.536 20 5 BDBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC[N+](=O)[O-] ZINC000930273137 639675174 /nfs/dbraw/zinc/67/51/74/639675174.db2.gz DUUHGSACJPABER-RNFRBKRXSA-N 1 1 226.198 1.536 20 5 BDBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000930511452 639790304 /nfs/dbraw/zinc/79/03/04/639790304.db2.gz DGMYNDCJJJCHDP-SNVBAGLBSA-N 1 1 230.308 1.543 20 5 BDBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000930511451 639791226 /nfs/dbraw/zinc/79/12/26/639791226.db2.gz DGMYNDCJJJCHDP-JTQLQIEISA-N 1 1 230.308 1.543 20 5 BDBDMO C[C@@H]1CN(CC[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000930561355 639811649 /nfs/dbraw/zinc/81/16/49/639811649.db2.gz XAGOZBLGVLPSAR-LLVKDONJSA-N 1 1 241.335 1.069 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@H]1CCc2c1cccc2O ZINC000930600142 639816659 /nfs/dbraw/zinc/81/66/59/639816659.db2.gz HDMWJEJMNXKAQX-JTQLQIEISA-N 1 1 222.244 1.246 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930612484 639820487 /nfs/dbraw/zinc/82/04/87/639820487.db2.gz QTYISKCVHWQHKZ-TUAOUCFPSA-N 1 1 242.319 1.279 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCOCC12CCCCC2 ZINC000930649814 639840129 /nfs/dbraw/zinc/84/01/29/639840129.db2.gz FHJLFRYINYGSJR-UHFFFAOYSA-N 1 1 228.292 1.298 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCOCC12CCCCC2 ZINC000930649814 639840131 /nfs/dbraw/zinc/84/01/31/639840131.db2.gz FHJLFRYINYGSJR-UHFFFAOYSA-N 1 1 228.292 1.298 20 5 BDBDMO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC2(CCCC2)O1 ZINC000930825548 639927901 /nfs/dbraw/zinc/92/79/01/639927901.db2.gz LXTNZJQCCGRDRA-JTQLQIEISA-N 1 1 228.292 1.297 20 5 BDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC2(CCCC2)O1 ZINC000930825548 639927909 /nfs/dbraw/zinc/92/79/09/639927909.db2.gz LXTNZJQCCGRDRA-JTQLQIEISA-N 1 1 228.292 1.297 20 5 BDBDMO C/C=C\C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931339156 640164973 /nfs/dbraw/zinc/16/49/73/640164973.db2.gz VXLGDTCQLAPIHV-QUCGXOGASA-N 1 1 212.293 1.941 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]1CO ZINC000934022885 640808170 /nfs/dbraw/zinc/80/81/70/640808170.db2.gz APRXPZYTADCAKY-ZJUUUORDSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]1CO ZINC000934022885 640808174 /nfs/dbraw/zinc/80/81/74/640808174.db2.gz APRXPZYTADCAKY-ZJUUUORDSA-N 1 1 236.271 1.722 20 5 BDBDMO CC[C@H](C)C[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000171890524 641022026 /nfs/dbraw/zinc/02/20/26/641022026.db2.gz XOVIUXYHEBXVPA-VIFPVBQESA-N 1 1 226.280 1.727 20 5 BDBDMO CC[C@H](C)C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000171890524 641022030 /nfs/dbraw/zinc/02/20/30/641022030.db2.gz XOVIUXYHEBXVPA-VIFPVBQESA-N 1 1 226.280 1.727 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000929811130 641641983 /nfs/dbraw/zinc/64/19/83/641641983.db2.gz IOVYTWJUNSEWDM-LLVKDONJSA-N 1 1 221.260 1.495 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000929811130 641641985 /nfs/dbraw/zinc/64/19/85/641641985.db2.gz IOVYTWJUNSEWDM-LLVKDONJSA-N 1 1 221.260 1.495 20 5 BDBDMO Cc1nn(C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000917730785 642114688 /nfs/dbraw/zinc/11/46/88/642114688.db2.gz BEWRAVFRPGFWCQ-SECBINFHSA-N 1 1 224.264 1.194 20 5 BDBDMO CC[NH+](CC)CC1CCN(CC[N+](=O)[O-])CC1 ZINC000929274807 643892519 /nfs/dbraw/zinc/89/25/19/643892519.db2.gz AXBWDITUXBGNSK-UHFFFAOYSA-N 1 1 243.351 1.317 20 5 BDBDMO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000246794065 644606306 /nfs/dbraw/zinc/60/63/06/644606306.db2.gz JNBBFXSYUPBCQL-BDAKNGLRSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000246794065 644606310 /nfs/dbraw/zinc/60/63/10/644606310.db2.gz JNBBFXSYUPBCQL-BDAKNGLRSA-N 1 1 224.264 1.479 20 5 BDBDMO CC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000097506648 644926890 /nfs/dbraw/zinc/92/68/90/644926890.db2.gz LFZAOUHXVUPXBA-JTQLQIEISA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000097506648 644926899 /nfs/dbraw/zinc/92/68/99/644926899.db2.gz LFZAOUHXVUPXBA-JTQLQIEISA-N 1 1 238.291 1.871 20 5 BDBDMO CC(C)(C)[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929522776 646171479 /nfs/dbraw/zinc/17/14/79/646171479.db2.gz ASPOIDKKZSROEL-SECBINFHSA-N 1 1 200.282 1.774 20 5 BDBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC[N+](=O)[O-] ZINC000930034429 646403945 /nfs/dbraw/zinc/40/39/45/646403945.db2.gz AUCUKZRPLYNXDA-GHMZBOCLSA-N 1 1 244.335 1.789 20 5 BDBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])CC12CCC2 ZINC000930170966 646472522 /nfs/dbraw/zinc/47/25/22/646472522.db2.gz KFFRRYMMWHBBGM-SNVBAGLBSA-N 1 1 212.293 1.775 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712614000 712438216 /nfs/dbraw/zinc/43/82/16/712438216.db2.gz JUYVSYMSRRWWSD-VIFPVBQESA-N 1 1 239.250 1.850 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712614000 712438217 /nfs/dbraw/zinc/43/82/17/712438217.db2.gz JUYVSYMSRRWWSD-VIFPVBQESA-N 1 1 239.250 1.850 20 5 BDBDMO C[NH2+][C@@H]1CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC001156638146 963421401 /nfs/dbraw/zinc/42/14/01/963421401.db2.gz JMQBZCAJHQECTL-VIFPVBQESA-N 1 1 222.248 1.054 20 5 BDBDMO C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007090 969328660 /nfs/dbraw/zinc/32/86/60/969328660.db2.gz KVHUJMKCZUWWNC-GWOFURMSSA-N 1 1 230.283 1.864 20 5 BDBDMO CC[N@@H+](CCN(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007627 969334481 /nfs/dbraw/zinc/33/44/81/969334481.db2.gz OSWARUQSORGIEJ-NEPJUHHUSA-N 1 1 243.351 1.315 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009669 969334841 /nfs/dbraw/zinc/33/48/41/969334841.db2.gz XCIULFPSKWZYKC-KXNHARMFSA-N 1 1 242.319 1.541 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1O ZINC001169010656 969339749 /nfs/dbraw/zinc/33/97/49/969339749.db2.gz FHRLDSCGKXICSB-DDHJBXDOSA-N 1 1 242.319 1.135 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H](O)C2)C1 ZINC001169010284 969337845 /nfs/dbraw/zinc/33/78/45/969337845.db2.gz CEGTXZBVNKVKDJ-UTUOFQBUSA-N 1 1 242.319 1.279 20 5 BDBDMO CC[N@@H+](C1COC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033010 969352507 /nfs/dbraw/zinc/35/25/07/969352507.db2.gz AYHLWWIFZZNKKA-VHSXEESVSA-N 1 1 228.292 1.153 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225905655 962899902 /nfs/dbraw/zinc/89/99/02/962899902.db2.gz XAEPRVBHKXESPD-VIFPVBQESA-N 1 1 240.234 1.817 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226709232 963310837 /nfs/dbraw/zinc/31/08/37/963310837.db2.gz GOSGQUHOBRUBRR-VIFPVBQESA-N 1 1 223.232 1.073 20 5 BDBDMO C[NH2+][C@H]1CCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001156639450 963421325 /nfs/dbraw/zinc/42/13/25/963421325.db2.gz RZGQZMIAXOJSMK-SSDOTTSWSA-N 1 1 242.666 1.399 20 5 BDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006286 969330744 /nfs/dbraw/zinc/33/07/44/969330744.db2.gz GONVSUYTUKXCLB-WYUUTHIRSA-N 1 1 242.319 1.135 20 5 BDBDMO C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007091 969330978 /nfs/dbraw/zinc/33/09/78/969330978.db2.gz KVHUJMKCZUWWNC-LMLFDSFASA-N 1 1 230.283 1.864 20 5 BDBDMO CN(C)CCC[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005247 969331437 /nfs/dbraw/zinc/33/14/37/969331437.db2.gz AABYFPWVSGSUII-VXGBXAGGSA-N 1 1 243.351 1.315 20 5 BDBDMO CN(C)CCC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005247 969331442 /nfs/dbraw/zinc/33/14/42/969331442.db2.gz AABYFPWVSGSUII-VXGBXAGGSA-N 1 1 243.351 1.315 20 5 BDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1O ZINC001169010113 969335125 /nfs/dbraw/zinc/33/51/25/969335125.db2.gz BEQPPWFMCZBFFL-KKOKHZNYSA-N 1 1 242.319 1.135 20 5 BDBDMO C[C@H]1C[C@@H](CO)[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169012450 969336813 /nfs/dbraw/zinc/33/68/13/969336813.db2.gz QFCCMQFVJMXAPN-USZNOCQGSA-N 1 1 242.319 1.135 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@@H]3C2)C1 ZINC001169011518 969337415 /nfs/dbraw/zinc/33/74/15/969337415.db2.gz KMYKBQLVNVVLDA-ZNSHCXBVSA-N 1 1 210.277 1.384 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](F)C2)C1 ZINC001169027416 969345745 /nfs/dbraw/zinc/34/57/45/969345745.db2.gz PKHSMTMEKVCVOP-OUAUKWLOSA-N 1 1 230.283 1.866 20 5 BDBDMO C[N@@H+](CC1COC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033283 969351078 /nfs/dbraw/zinc/35/10/78/969351078.db2.gz BRRHHUMGOALIBB-ONGXEEELSA-N 1 1 228.292 1.010 20 5 BDBDMO C[C@]1(O)CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034524 969352176 /nfs/dbraw/zinc/35/21/76/969352176.db2.gz HDSGHQBJYYQJIY-WOPDTQHZSA-N 1 1 242.319 1.279 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCOCC23CC3)C1 ZINC001169040056 969355088 /nfs/dbraw/zinc/35/50/88/969355088.db2.gz XHCYDSOFLSBIBC-QWRGUYRKSA-N 1 1 240.303 1.297 20 5 BDBDMO C[N@@H+](Cc1ccon1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037030 969357896 /nfs/dbraw/zinc/35/78/96/969357896.db2.gz HWWMDNNROVSVDN-GXSJLCMTSA-N 1 1 239.275 1.552 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001169036802 969358245 /nfs/dbraw/zinc/35/82/45/969358245.db2.gz HKQIFNYKXXSNHR-ROHXPCBUSA-N 1 1 242.294 1.579 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCn3cccc3C2)C1 ZINC001169024350 969364467 /nfs/dbraw/zinc/36/44/67/969364467.db2.gz GMXMGZHUYHMCJO-VXGBXAGGSA-N 1 1 249.314 1.749 20 5 BDBDMO CSCC[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169048202 969366739 /nfs/dbraw/zinc/36/67/39/969366739.db2.gz SYTPPPUJWGYNKA-ZJUUUORDSA-N 1 1 232.349 1.727 20 5 BDBDMO COC[C@@H]1CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169057411 969370706 /nfs/dbraw/zinc/37/07/06/969370706.db2.gz VAVYTQUGYVWTQX-DCAQKATOSA-N 1 1 228.292 1.153 20 5 BDBDMO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCOC1 ZINC001169057896 969372449 /nfs/dbraw/zinc/37/24/49/969372449.db2.gz YTTXYKPSPXQEGK-IJLUTSLNSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222789453 972696869 /nfs/dbraw/zinc/69/68/69/972696869.db2.gz MVWOFAYHRWNIKU-LBPRGKRZSA-N 1 1 236.271 1.816 20 5 BDBDMO C[NH+]1CC(OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224328553 973554927 /nfs/dbraw/zinc/55/49/27/973554927.db2.gz PQONBPUEHAXRBD-UHFFFAOYSA-N 1 1 236.271 1.468 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880046 976547847 /nfs/dbraw/zinc/54/78/47/976547847.db2.gz PTJBKLNUCDMTRV-MRVPVSSYSA-N 1 1 223.232 1.073 20 5 BDBDMO C[C@H](C[N+](C)(C)C)Oc1nc[nH]c(=O)c1Cl ZINC001230015773 977050764 /nfs/dbraw/zinc/05/07/64/977050764.db2.gz BRWZXGQXYCICMB-SSDOTTSWSA-O 1 1 246.718 1.309 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1[NH3+] ZINC001246564218 988018658 /nfs/dbraw/zinc/01/86/58/988018658.db2.gz DPCZQCISRLJWKE-RHYQMDGZSA-N 1 1 241.335 1.101 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001119668819 989312843 /nfs/dbraw/zinc/31/28/43/989312843.db2.gz XHZZEDOUKSPVPS-WDEREUQCSA-N 1 1 212.293 1.775 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)CO ZINC000289562147 178271051 /nfs/dbraw/zinc/27/10/51/178271051.db2.gz YSOKSONKGSUJEP-SNVBAGLBSA-N 1 1 238.287 1.716 20 5 BDBDMO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000351812835 136254667 /nfs/dbraw/zinc/25/46/67/136254667.db2.gz QTUQOSCNEZUIJN-IONNQARKSA-N 1 1 242.300 1.469 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000351812835 136254668 /nfs/dbraw/zinc/25/46/68/136254668.db2.gz QTUQOSCNEZUIJN-IONNQARKSA-N 1 1 242.300 1.469 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000610762459 344151294 /nfs/dbraw/zinc/15/12/94/344151294.db2.gz GLKRWAYKZXWIPK-KOLCDFICSA-N 1 1 236.275 1.276 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1NCC(F)(F)C[NH3+] ZINC000158848035 345583504 /nfs/dbraw/zinc/58/35/04/345583504.db2.gz GVPINPLBZGAQDU-UHFFFAOYSA-N 1 1 245.229 1.909 20 5 BDBDMO C[C@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595394570 348237622 /nfs/dbraw/zinc/23/76/22/348237622.db2.gz CXKKLNQIYJSUSS-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595394570 348237623 /nfs/dbraw/zinc/23/76/23/348237623.db2.gz CXKKLNQIYJSUSS-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO CC[C@H](C)[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000595600938 348295771 /nfs/dbraw/zinc/29/57/71/348295771.db2.gz QXJSMSPBAJNTHT-JTQLQIEISA-N 1 1 240.307 1.912 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(COC3)C2)cc1 ZINC000595836105 348370154 /nfs/dbraw/zinc/37/01/54/348370154.db2.gz ZSCPKOZHTXRHIX-UHFFFAOYSA-N 1 1 248.282 1.817 20 5 BDBDMO Cc1nc(NCC(F)(F)C[NH3+])ccc1[N+](=O)[O-] ZINC000162671214 180015914 /nfs/dbraw/zinc/01/59/14/180015914.db2.gz AVHWMLGVNGEBPF-UHFFFAOYSA-N 1 1 246.217 1.304 20 5 BDBDMO Cc1[nH+]ccn1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000098083249 180265434 /nfs/dbraw/zinc/26/54/34/180265434.db2.gz UPSSQHOGZUHIQB-GFCCVEGCSA-N 1 1 247.254 1.833 20 5 BDBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292119980 350871130 /nfs/dbraw/zinc/87/11/30/350871130.db2.gz HXIYXVHEIHJQRN-MRVPVSSYSA-N 1 1 244.316 1.859 20 5 BDBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292119980 350871139 /nfs/dbraw/zinc/87/11/39/350871139.db2.gz HXIYXVHEIHJQRN-MRVPVSSYSA-N 1 1 244.316 1.859 20 5 BDBDMO COCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000054361601 363570487 /nfs/dbraw/zinc/57/04/87/363570487.db2.gz VHGZBQSGPQLABB-UHFFFAOYSA-N 1 1 238.287 1.981 20 5 BDBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000044725699 358553008 /nfs/dbraw/zinc/55/30/08/358553008.db2.gz XGNZUXYPUDEJKG-QMMMGPOBSA-N 1 1 249.274 1.033 20 5 BDBDMO [NH3+]CC(F)(F)CNc1ncc([N+](=O)[O-])s1 ZINC000226784193 181358344 /nfs/dbraw/zinc/35/83/44/181358344.db2.gz DWOVYEMTLCWHIG-UHFFFAOYSA-N 1 1 238.219 1.057 20 5 BDBDMO CC1(CO)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000459621892 203319029 /nfs/dbraw/zinc/31/90/29/203319029.db2.gz OKJJDMFJVBCMDK-UHFFFAOYSA-N 1 1 236.271 1.409 20 5 BDBDMO CC(C)CC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440908 371805469 /nfs/dbraw/zinc/80/54/69/371805469.db2.gz MTCFFBKQTHPOKB-UHFFFAOYSA-N 1 1 240.307 1.806 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1C ZINC000602486432 371813680 /nfs/dbraw/zinc/81/36/80/371813680.db2.gz UFIFTMWNXHQEPQ-RKDXNWHRSA-N 1 1 238.291 1.559 20 5 BDBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602833495 371846034 /nfs/dbraw/zinc/84/60/34/371846034.db2.gz VWDHBBXSXXWKCI-SFYZADRCSA-N 1 1 224.264 1.169 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602833495 371846037 /nfs/dbraw/zinc/84/60/37/371846037.db2.gz VWDHBBXSXXWKCI-SFYZADRCSA-N 1 1 224.264 1.169 20 5 BDBDMO CCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010707 169197809 /nfs/dbraw/zinc/19/78/09/169197809.db2.gz RIVDQNPEFPKMAT-JTQLQIEISA-N 1 1 238.291 1.838 20 5 BDBDMO C[N@@H+](CCC1CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000135252853 384196099 /nfs/dbraw/zinc/19/60/99/384196099.db2.gz VERLXTTUMBFZSB-UHFFFAOYSA-N 1 1 238.291 1.523 20 5 BDBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000075783304 384339176 /nfs/dbraw/zinc/33/91/76/384339176.db2.gz GNIZUKKXWAETTL-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO N[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422737436 384467174 /nfs/dbraw/zinc/46/71/74/384467174.db2.gz IFCKVHLTUWFCOK-QWHCGFSZSA-N 1 1 249.314 1.607 20 5 BDBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000049937513 384578046 /nfs/dbraw/zinc/57/80/46/384578046.db2.gz WTCSGQWCAHQBCF-UHFFFAOYSA-N 1 1 224.264 1.353 20 5 BDBDMO Cn1nccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015580 384583129 /nfs/dbraw/zinc/58/31/29/384583129.db2.gz LFAXMLQQAIYWNQ-UHFFFAOYSA-N 1 1 246.270 1.618 20 5 BDBDMO O=[N+]([O-])c1cccnc1NCC[N@@H+]1CC=CCC1 ZINC000280160164 384660496 /nfs/dbraw/zinc/66/04/96/384660496.db2.gz GJYFFAPPTBQVHH-UHFFFAOYSA-N 1 1 248.286 1.664 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000364317715 385029923 /nfs/dbraw/zinc/02/99/23/385029923.db2.gz OWZYOUJZWZOZQM-LBPRGKRZSA-N 1 1 248.282 1.552 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)CC[NH3+] ZINC000414898317 387595366 /nfs/dbraw/zinc/59/53/66/387595366.db2.gz SSOGEWGXAPVSBC-JTQLQIEISA-N 1 1 237.303 1.730 20 5 BDBDMO C[C@]1(F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347335991 387799101 /nfs/dbraw/zinc/79/91/01/387799101.db2.gz CBRNHRBXDHCAJR-JTQLQIEISA-N 1 1 242.254 1.225 20 5 BDBDMO C[C@]1(F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347335991 387799102 /nfs/dbraw/zinc/79/91/02/387799102.db2.gz CBRNHRBXDHCAJR-JTQLQIEISA-N 1 1 242.254 1.225 20 5 BDBDMO C[NH2+]CCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000572838726 388380194 /nfs/dbraw/zinc/38/01/94/388380194.db2.gz JBRRTXUVRANZIY-UHFFFAOYSA-N 1 1 242.300 1.753 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000548424525 388536712 /nfs/dbraw/zinc/53/67/12/388536712.db2.gz QRRCGLYSPTUMNG-DTORHVGOSA-N 1 1 224.264 1.274 20 5 BDBDMO [NH3+]CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423191161 388687883 /nfs/dbraw/zinc/68/78/83/388687883.db2.gz OMRSBMYJMDMDDM-ZDUSSCGKSA-N 1 1 249.314 1.911 20 5 BDBDMO CC(C)c1[nH+]ccn1CCn1cc([N+](=O)[O-])cn1 ZINC000123575604 388733625 /nfs/dbraw/zinc/73/36/25/388733625.db2.gz ZABGRGGUKFPZMY-UHFFFAOYSA-N 1 1 249.274 1.811 20 5 BDBDMO CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153177875 388947599 /nfs/dbraw/zinc/94/75/99/388947599.db2.gz BKHGVOVHCMCZPT-UHFFFAOYSA-N 1 1 206.245 1.973 20 5 BDBDMO CC[C@H](C)C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000330502266 171273853 /nfs/dbraw/zinc/27/38/53/171273853.db2.gz BGIZKYPIIITFIW-VIFPVBQESA-N 1 1 240.307 1.806 20 5 BDBDMO CC[C@H](C)C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000330502266 171273855 /nfs/dbraw/zinc/27/38/55/171273855.db2.gz BGIZKYPIIITFIW-VIFPVBQESA-N 1 1 240.307 1.806 20 5 BDBDMO COCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267082781 174281025 /nfs/dbraw/zinc/28/10/25/174281025.db2.gz YLMXKOPRYWPOLL-UHFFFAOYSA-N 1 1 242.250 1.812 20 5 BDBDMO COCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267082781 174281027 /nfs/dbraw/zinc/28/10/27/174281027.db2.gz YLMXKOPRYWPOLL-UHFFFAOYSA-N 1 1 242.250 1.812 20 5 BDBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357953491 176362714 /nfs/dbraw/zinc/36/27/14/176362714.db2.gz BYCQOKZFSUZSRR-NXEZZACHSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@@H]1[C@@H](C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000293520258 177255447 /nfs/dbraw/zinc/25/54/47/177255447.db2.gz VZJITJKRYKSLIC-DTWKUNHWSA-N 1 1 224.264 1.132 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355343952 177316960 /nfs/dbraw/zinc/31/69/60/177316960.db2.gz PKGFYIPXEOJNKN-BDAKNGLRSA-N 1 1 238.291 1.559 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357953497 177317055 /nfs/dbraw/zinc/31/70/55/177317055.db2.gz BYCQOKZFSUZSRR-ZJUUUORDSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000340930933 177373647 /nfs/dbraw/zinc/37/36/47/177373647.db2.gz TZJWTGNBLUSSCK-CABZTGNLSA-N 1 1 236.271 1.550 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000791051629 583383693 /nfs/dbraw/zinc/38/36/93/583383693.db2.gz HESQFRWVWBVZSM-GFCCVEGCSA-N 1 1 220.272 1.753 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000895770018 583724054 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234.299 1.752 20 5 BDBDMO CC[C@@H]1CCCCC[N@H+]1CC[N+](=O)[O-] ZINC000929694891 646242009 /nfs/dbraw/zinc/24/20/09/646242009.db2.gz DEBCEUYJONAFJM-SNVBAGLBSA-N 1 1 200.282 1.918 20 5 BDBDMO CC[C@@]1(C)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929747472 646281073 /nfs/dbraw/zinc/28/10/73/646281073.db2.gz DCDMZQFWPXPEMT-JTQLQIEISA-N 1 1 200.282 1.775 20 5 BDBDMO CC[N@H+]1CC[C@@H](N(C)CC[N+](=O)[O-])C[C@H]1C ZINC000929782299 646307523 /nfs/dbraw/zinc/30/75/23/646307523.db2.gz UNOFHRHEJPMFDS-GHMZBOCLSA-N 1 1 229.324 1.068 20 5 BDBDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000929834516 646348294 /nfs/dbraw/zinc/34/82/94/646348294.db2.gz MQJLGZHGZVOQMX-LLVKDONJSA-N 1 1 238.291 1.142 20 5 BDBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929834516 646348298 /nfs/dbraw/zinc/34/82/98/646348298.db2.gz MQJLGZHGZVOQMX-LLVKDONJSA-N 1 1 238.291 1.142 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000930039776 646407997 /nfs/dbraw/zinc/40/79/97/646407997.db2.gz 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BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](F)C2)C1 ZINC001169027417 969345061 /nfs/dbraw/zinc/34/50/61/969345061.db2.gz PKHSMTMEKVCVOP-VWYCJHECSA-N 1 1 230.283 1.866 20 5 BDBDMO C[C@H]1CC(=O)CC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038548 969355127 /nfs/dbraw/zinc/35/51/27/969355127.db2.gz ZKNAVUONWRUHHP-GARJFASQSA-N 1 1 240.303 1.485 20 5 BDBDMO CC[N@@H+](C1CN(C)C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040997 969355930 /nfs/dbraw/zinc/35/59/30/969355930.db2.gz AIAFVYULUBMEHO-GHMZBOCLSA-N 1 1 241.335 1.068 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042459 969361609 /nfs/dbraw/zinc/36/16/09/969361609.db2.gz DOSKTSLADQMSIV-WHOHXGKFSA-N 1 1 242.319 1.541 20 5 BDBDMO C[N@@H+](Cc1ccno1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046892 969363880 /nfs/dbraw/zinc/36/38/80/969363880.db2.gz OFOZNKKQHSOUPC-UWVGGRQHSA-N 1 1 239.275 1.552 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@]23CCOC3)C1 ZINC001169049585 969364684 /nfs/dbraw/zinc/36/46/84/969364684.db2.gz WOIGQEBQMDLFGE-WOPDTQHZSA-N 1 1 240.303 1.297 20 5 BDBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCOC1 ZINC001169057897 969370765 /nfs/dbraw/zinc/37/07/65/969370765.db2.gz YTTXYKPSPXQEGK-QJPTWQEYSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@@H+](CCF)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056963 969371765 /nfs/dbraw/zinc/37/17/65/969371765.db2.gz UJICLEBUUMMSCY-IUCAKERBSA-N 1 1 204.245 1.333 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC[C@@H]2CF)C1 ZINC001169054656 969372522 /nfs/dbraw/zinc/37/25/22/969372522.db2.gz NFXMVJUMTSCXLL-GARJFASQSA-N 1 1 230.283 1.866 20 5 BDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1N ZINC001254540395 969738591 /nfs/dbraw/zinc/73/85/91/969738591.db2.gz STNAGYWQDGMSCN-FBIMIBRVSA-N 1 1 235.287 1.215 20 5 BDBDMO Cc1cnc(N[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000090692137 969884733 /nfs/dbraw/zinc/88/47/33/969884733.db2.gz BGXUQXHQJOHMBV-VIFPVBQESA-N 1 1 236.275 1.414 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225574498 974559300 /nfs/dbraw/zinc/55/93/00/974559300.db2.gz DDPQZTNGKHZRFE-SECBINFHSA-N 1 1 240.234 1.817 20 5 BDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1[NH3+] ZINC001173234501 975076675 /nfs/dbraw/zinc/07/66/75/975076675.db2.gz PDCFYNLEJJMHAX-GGZOMVNGSA-N 1 1 235.287 1.215 20 5 BDBDMO Cc1cccc2c1C[N@H+](CC[N+](=O)[O-])CC2 ZINC001334200311 976373481 /nfs/dbraw/zinc/37/34/81/976373481.db2.gz DSLLHKSWRMCKEG-UHFFFAOYSA-N 1 1 220.272 1.630 20 5 BDBDMO Cc1cccc2c1C[N@@H+](CC[N+](=O)[O-])CC2 ZINC001334200311 976373493 /nfs/dbraw/zinc/37/34/93/976373493.db2.gz DSLLHKSWRMCKEG-UHFFFAOYSA-N 1 1 220.272 1.630 20 5 BDBDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC[N+](=O)[O-] ZINC001334682149 976582978 /nfs/dbraw/zinc/58/29/78/976582978.db2.gz UKPWMCPVIIPZDQ-HTQZYQBOSA-N 1 1 240.225 1.926 20 5 BDBDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC[N+](=O)[O-] ZINC001334682149 976582985 /nfs/dbraw/zinc/58/29/85/976582985.db2.gz UKPWMCPVIIPZDQ-HTQZYQBOSA-N 1 1 240.225 1.926 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001176927329 978247634 /nfs/dbraw/zinc/24/76/34/978247634.db2.gz QWCJKAUPVIVDBR-WDEREUQCSA-N 1 1 228.292 1.297 20 5 BDBDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC001341323727 979336648 /nfs/dbraw/zinc/33/66/48/979336648.db2.gz RZXAWORGVBSWOA-OPRDCNLKSA-N 1 1 200.282 1.630 20 5 BDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001346313128 980809386 /nfs/dbraw/zinc/80/93/86/980809386.db2.gz PJUINFFTFROMFD-ZETCQYMHSA-N 1 1 229.667 1.662 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC001354585745 983324006 /nfs/dbraw/zinc/32/40/06/983324006.db2.gz YBXBHERMTXBTHS-GFCCVEGCSA-N 1 1 235.287 1.223 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@]12CCCOC2 ZINC001460980641 985979371 /nfs/dbraw/zinc/97/93/71/985979371.db2.gz SQZLSUVRQHSADB-NSHDSACASA-N 1 1 228.292 1.298 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001119668818 989314893 /nfs/dbraw/zinc/31/48/93/989314893.db2.gz XHZZEDOUKSPVPS-QWRGUYRKSA-N 1 1 212.293 1.775 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)C1 ZINC000183271788 178271288 /nfs/dbraw/zinc/27/12/88/178271288.db2.gz KWCXPWJJFVVADO-LBPRGKRZSA-N 1 1 236.271 1.470 20 5 BDBDMO Cc1ccc(C[N@H+](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000130830197 398283165 /nfs/dbraw/zinc/28/31/65/398283165.db2.gz IFXHZLBLIOEGBD-SNVBAGLBSA-N 1 1 238.287 1.716 20 5 BDBDMO C[C@H]1C[C@H](C)[NH+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602647410 349658349 /nfs/dbraw/zinc/65/83/49/349658349.db2.gz IHVZHMVSVLRVBY-YUMQZZPRSA-N 1 1 224.264 1.311 20 5 BDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000023172733 344132097 /nfs/dbraw/zinc/13/20/97/344132097.db2.gz MKLGVBWSKFIZSJ-UHFFFAOYSA-N 1 1 249.270 1.628 20 5 BDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000023172733 344132098 /nfs/dbraw/zinc/13/20/98/344132098.db2.gz MKLGVBWSKFIZSJ-UHFFFAOYSA-N 1 1 249.270 1.628 20 5 BDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000044411770 345058861 /nfs/dbraw/zinc/05/88/61/345058861.db2.gz DSHXXWCDRQAAOL-VIFPVBQESA-N 1 1 248.286 1.638 20 5 BDBDMO C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000114838160 345676393 /nfs/dbraw/zinc/67/63/93/345676393.db2.gz TZDLPWFHPNKZJC-NSHDSACASA-N 1 1 249.270 1.628 20 5 BDBDMO C[N@H+]1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000114838160 345676396 /nfs/dbraw/zinc/67/63/96/345676396.db2.gz TZDLPWFHPNKZJC-NSHDSACASA-N 1 1 249.270 1.628 20 5 BDBDMO C[C@H](c1nc(C[NH3+])no1)c1cccc([N+](=O)[O-])c1 ZINC000580325288 347093490 /nfs/dbraw/zinc/09/34/90/347093490.db2.gz TWSRLKQOYYBBFL-ZETCQYMHSA-N 1 1 248.242 1.588 20 5 BDBDMO C[N@H+]1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000590719032 347501006 /nfs/dbraw/zinc/50/10/06/347501006.db2.gz BYRKYKIFJWAQHO-KOLCDFICSA-N 1 1 248.286 1.130 20 5 BDBDMO Cn1c[nH+]cc1CCNc1cccnc1[N+](=O)[O-] ZINC000401693951 347586770 /nfs/dbraw/zinc/58/67/70/347586770.db2.gz IVBDTJSQTMYSHW-UHFFFAOYSA-N 1 1 247.258 1.378 20 5 BDBDMO C[C@H](CCO)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000593110389 347861081 /nfs/dbraw/zinc/86/10/81/347861081.db2.gz WKMOHKOKENEYNY-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350086689 350315624 /nfs/dbraw/zinc/31/56/24/350315624.db2.gz UFHQMQRXLSEPIC-ZJUUUORDSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353603119 188061605 /nfs/dbraw/zinc/06/16/05/188061605.db2.gz FVQJOGPLCPHRER-NSHDSACASA-N 1 1 249.314 1.731 20 5 BDBDMO CC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413077366 191354187 /nfs/dbraw/zinc/35/41/87/191354187.db2.gz AORFRIMTQUJUSM-UHFFFAOYSA-N 1 1 242.254 1.493 20 5 BDBDMO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000089150478 357025581 /nfs/dbraw/zinc/02/55/81/357025581.db2.gz FTDSNRCVHUJMBJ-PWSUYJOCSA-N 1 1 249.314 1.812 20 5 BDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000174813218 134283551 /nfs/dbraw/zinc/28/35/51/134283551.db2.gz PLCFNWVWNJFZEI-UHFFFAOYSA-N 1 1 238.291 1.666 20 5 BDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCO ZINC000430217874 201153440 /nfs/dbraw/zinc/15/34/40/201153440.db2.gz LVESWMRGZLQXTR-UHFFFAOYSA-N 1 1 240.259 1.028 20 5 BDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCO ZINC000430217874 201153443 /nfs/dbraw/zinc/15/34/43/201153443.db2.gz LVESWMRGZLQXTR-UHFFFAOYSA-N 1 1 240.259 1.028 20 5 BDBDMO CCO[C@H]1C[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309970717 370281369 /nfs/dbraw/zinc/28/13/69/370281369.db2.gz PJTIRJQITQYLPV-BDAKNGLRSA-N 1 1 242.300 1.923 20 5 BDBDMO CCCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429304 371803435 /nfs/dbraw/zinc/80/34/35/371803435.db2.gz PILZZDROXOMWGN-UHFFFAOYSA-N 1 1 226.280 1.560 20 5 BDBDMO CC[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000603937062 371943937 /nfs/dbraw/zinc/94/39/37/371943937.db2.gz BUUWWHSDOKSRNB-UHFFFAOYSA-N 1 1 241.316 1.798 20 5 BDBDMO O=[N+]([O-])c1ncccc1N1CC[NH+](C2CC2)CC1 ZINC000604472702 371981359 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ZINC000121987587 387523067 /nfs/dbraw/zinc/52/30/67/387523067.db2.gz QKBDMXJDNQYNBF-UHFFFAOYSA-N 1 1 247.258 1.013 20 5 BDBDMO C[C@@]1(F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347335992 387799039 /nfs/dbraw/zinc/79/90/39/387799039.db2.gz CBRNHRBXDHCAJR-SNVBAGLBSA-N 1 1 242.254 1.225 20 5 BDBDMO C[C@@]1(F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347335992 387799042 /nfs/dbraw/zinc/79/90/42/387799042.db2.gz CBRNHRBXDHCAJR-SNVBAGLBSA-N 1 1 242.254 1.225 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000094774773 388755541 /nfs/dbraw/zinc/75/55/41/388755541.db2.gz UAKHLFKOGVWJLX-SECBINFHSA-N 1 1 240.234 1.301 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000094774773 388755548 /nfs/dbraw/zinc/75/55/48/388755548.db2.gz UAKHLFKOGVWJLX-SECBINFHSA-N 1 1 240.234 1.301 20 5 BDBDMO O=[N+]([O-])c1cc(C[NH2+]CCF)cs1 ZINC000280649732 388786022 /nfs/dbraw/zinc/78/60/22/388786022.db2.gz JRASGVYCZYIYCS-UHFFFAOYSA-N 1 1 204.226 1.715 20 5 BDBDMO 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BDBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225911799 974725257 /nfs/dbraw/zinc/72/52/57/974725257.db2.gz BWOOZHJTVPZYLR-VIFPVBQESA-N 1 1 240.234 1.817 20 5 BDBDMO Cn1cc(C[N@@H+](C)CCC2CC2)c([N+](=O)[O-])n1 ZINC000602483229 349566492 /nfs/dbraw/zinc/56/64/92/349566492.db2.gz FIXVFPHBGUZKEE-UHFFFAOYSA-N 1 1 238.291 1.560 20 5 BDBDMO Cc1ccc([N+](=O)[O-])c(NCC(F)(F)C[NH3+])n1 ZINC000162686250 398320459 /nfs/dbraw/zinc/32/04/59/398320459.db2.gz LFDGOLRBDGVZAU-UHFFFAOYSA-N 1 1 246.217 1.304 20 5 BDBDMO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000351812836 136254595 /nfs/dbraw/zinc/25/45/95/136254595.db2.gz QTUQOSCNEZUIJN-VXNVDRBHSA-N 1 1 242.300 1.469 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000351812836 136254596 /nfs/dbraw/zinc/25/45/96/136254596.db2.gz QTUQOSCNEZUIJN-VXNVDRBHSA-N 1 1 242.300 1.469 20 5 BDBDMO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602705219 349699354 /nfs/dbraw/zinc/69/93/54/349699354.db2.gz MOCFZIZXZYOWKK-UHFFFAOYSA-N 1 1 240.307 1.949 20 5 BDBDMO Cn1cc(C[N@@H+](C)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602850764 349785510 /nfs/dbraw/zinc/78/55/10/349785510.db2.gz SDHBEKZLMKZARN-UHFFFAOYSA-N 1 1 226.280 1.559 20 5 BDBDMO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000038088056 343942203 /nfs/dbraw/zinc/94/22/03/343942203.db2.gz NRQNILHDCKPZOL-SNVBAGLBSA-N 1 1 237.303 1.635 20 5 BDBDMO C[C@@H](CCO)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000593110280 347861189 /nfs/dbraw/zinc/86/11/89/347861189.db2.gz TVSBSTCANGYMGI-QMMMGPOBSA-N 1 1 244.316 1.859 20 5 BDBDMO C[C@@H](CCO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000593110280 347861192 /nfs/dbraw/zinc/86/11/92/347861192.db2.gz TVSBSTCANGYMGI-QMMMGPOBSA-N 1 1 244.316 1.859 20 5 BDBDMO Cc1[nH+]ccn1CCCn1cnc([N+](=O)[O-])c1 ZINC000264157062 180246377 /nfs/dbraw/zinc/24/63/77/180246377.db2.gz LZNXEIYXZVDYGJ-UHFFFAOYSA-N 1 1 235.247 1.387 20 5 BDBDMO Cc1c(C[NH2+]Cc2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000231883609 351434842 /nfs/dbraw/zinc/43/48/42/351434842.db2.gz KWUOCTFSCCSVNA-UHFFFAOYSA-N 1 1 246.270 1.916 20 5 BDBDMO Cc1c(C[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000061708265 188128107 /nfs/dbraw/zinc/12/81/07/188128107.db2.gz JUEFAVHRKUZMNY-LLVKDONJSA-N 1 1 236.271 1.470 20 5 BDBDMO CC(C)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266894664 353701619 /nfs/dbraw/zinc/70/16/19/353701619.db2.gz GBQKWWWFORJDPZ-UHFFFAOYSA-N 1 1 226.280 1.379 20 5 BDBDMO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000089150480 357026160 /nfs/dbraw/zinc/02/61/60/357026160.db2.gz FTDSNRCVHUJMBJ-JQWIXIFHSA-N 1 1 249.314 1.812 20 5 BDBDMO C[C@@H](CN(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000168762430 357226052 /nfs/dbraw/zinc/22/60/52/357226052.db2.gz XCWPNUNYIOECPO-JTQLQIEISA-N 1 1 237.303 1.635 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603086720 371866774 /nfs/dbraw/zinc/86/67/74/371866774.db2.gz IJCMZKSAPYYMDX-ZYHUDNBSSA-N 1 1 234.255 1.161 20 5 BDBDMO Cc1cn(Cc2cn(C)nc2[N+](=O)[O-])c(C)[nH+]1 ZINC000603324849 371884598 /nfs/dbraw/zinc/88/45/98/371884598.db2.gz IACHJMQGXIJNRA-UHFFFAOYSA-N 1 1 235.247 1.190 20 5 BDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC[NH3+] ZINC000218198065 372080446 /nfs/dbraw/zinc/08/04/46/372080446.db2.gz OAUXTKHWBHEAKF-SECBINFHSA-N 1 1 223.276 1.074 20 5 BDBDMO CC[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000048346901 384487200 /nfs/dbraw/zinc/48/72/00/384487200.db2.gz KMVXENXSELZDOE-UHFFFAOYSA-N 1 1 238.287 1.452 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000051886750 384699302 /nfs/dbraw/zinc/69/93/02/384699302.db2.gz QVLIVSXSRFNBPM-NSHDSACASA-N 1 1 236.271 1.409 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC1(C)C ZINC000355340805 387521019 /nfs/dbraw/zinc/52/10/19/387521019.db2.gz XEOBBTVDAGONRX-UHFFFAOYSA-N 1 1 238.291 1.703 20 5 BDBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000122352335 388381508 /nfs/dbraw/zinc/38/15/08/388381508.db2.gz BPPZUOPDGARBGB-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO Cc1ccc([C@@H](C)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000037713497 388586324 /nfs/dbraw/zinc/58/63/24/388586324.db2.gz BUNDYCRIWWZIBR-SNVBAGLBSA-N 1 1 237.303 1.903 20 5 BDBDMO C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268791 388690158 /nfs/dbraw/zinc/69/01/58/388690158.db2.gz DYRKTWCAZIMZPY-NOZJJQNGSA-N 1 1 249.314 1.983 20 5 BDBDMO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000330640742 388760319 /nfs/dbraw/zinc/76/03/19/388760319.db2.gz HYSUUWBOBOJJPT-WCBMZHEXSA-N 1 1 249.270 1.134 20 5 BDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000339562929 176296656 /nfs/dbraw/zinc/29/66/56/176296656.db2.gz OWZZQFCLJUXDLB-RKDXNWHRSA-N 1 1 224.264 1.132 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000355339048 176301270 /nfs/dbraw/zinc/30/12/70/176301270.db2.gz HSSXANMUMDSVQQ-DTORHVGOSA-N 1 1 238.291 1.416 20 5 BDBDMO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157321558 177100583 /nfs/dbraw/zinc/10/05/83/177100583.db2.gz CPSWHYPAHBIAAQ-JTQLQIEISA-N 1 1 238.291 1.523 20 5 BDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000340946943 177374127 /nfs/dbraw/zinc/37/41/27/177374127.db2.gz CQRPPWSOXVPCGZ-ONGXEEELSA-N 1 1 236.271 1.550 20 5 BDBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](C)O ZINC000352224233 535388292 /nfs/dbraw/zinc/38/82/92/535388292.db2.gz ZZAHTGOJZHUDPD-QMMMGPOBSA-N 1 1 244.316 1.859 20 5 BDBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](C)O ZINC000352224233 535388295 /nfs/dbraw/zinc/38/82/95/535388295.db2.gz ZZAHTGOJZHUDPD-QMMMGPOBSA-N 1 1 244.316 1.859 20 5 BDBDMO O=[N+]([O-])c1ccc(N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000894995897 583566122 /nfs/dbraw/zinc/56/61/22/583566122.db2.gz RQTCQNFWXUNTIT-SNVBAGLBSA-N 1 1 244.254 1.828 20 5 BDBDMO CC1(C)CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000726967118 583576372 /nfs/dbraw/zinc/57/63/72/583576372.db2.gz XKNXMZWRTMDMTG-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000895770978 583724980 /nfs/dbraw/zinc/72/49/80/583724980.db2.gz FFGYTTYABVXZEV-SSDOTTSWSA-N 1 1 227.289 1.772 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000895770978 583724983 /nfs/dbraw/zinc/72/49/83/583724983.db2.gz FFGYTTYABVXZEV-SSDOTTSWSA-N 1 1 227.289 1.772 20 5 BDBDMO Cc1nn(C[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000779858644 585769132 /nfs/dbraw/zinc/76/91/32/585769132.db2.gz KGMGTUHGUDGHNA-UHFFFAOYSA-N 1 1 226.280 1.645 20 5 BDBDMO Cc1nn(C[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000779858644 585769133 /nfs/dbraw/zinc/76/91/33/585769133.db2.gz KGMGTUHGUDGHNA-UHFFFAOYSA-N 1 1 226.280 1.645 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782623122 585823015 /nfs/dbraw/zinc/82/30/15/585823015.db2.gz YWWBWDXJGGJJRO-WCQYABFASA-N 1 1 248.282 1.409 20 5 BDBDMO C[N@H+](CC[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000787716873 585914321 /nfs/dbraw/zinc/91/43/21/585914321.db2.gz KCUGNMMCPKXCCC-LBPRGKRZSA-N 1 1 238.287 1.319 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000787716873 585914322 /nfs/dbraw/zinc/91/43/22/585914322.db2.gz KCUGNMMCPKXCCC-LBPRGKRZSA-N 1 1 238.287 1.319 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000791053139 585973369 /nfs/dbraw/zinc/97/33/69/585973369.db2.gz IKJCEVXGOMKULF-LBPRGKRZSA-N 1 1 220.272 1.882 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000791053133 585973393 /nfs/dbraw/zinc/97/33/93/585973393.db2.gz IKJCEVXGOMKULF-GFCCVEGCSA-N 1 1 220.272 1.882 20 5 BDBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000798197736 586140517 /nfs/dbraw/zinc/14/05/17/586140517.db2.gz UMNACTBUKNWHLW-ZJUUUORDSA-N 1 1 230.308 1.399 20 5 BDBDMO CC[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000119468395 589288663 /nfs/dbraw/zinc/28/86/63/589288663.db2.gz GWBXXIRCEKNWLH-SECBINFHSA-N 1 1 224.264 1.481 20 5 BDBDMO CC[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000119468395 589288665 /nfs/dbraw/zinc/28/86/65/589288665.db2.gz GWBXXIRCEKNWLH-SECBINFHSA-N 1 1 224.264 1.481 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880485611 591058699 /nfs/dbraw/zinc/05/86/99/591058699.db2.gz JTUSIWQAYUAYAK-GFCCVEGCSA-N 1 1 234.255 1.328 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880485611 591058703 /nfs/dbraw/zinc/05/87/03/591058703.db2.gz JTUSIWQAYUAYAK-GFCCVEGCSA-N 1 1 234.255 1.328 20 5 BDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000885958341 592115759 /nfs/dbraw/zinc/11/57/59/592115759.db2.gz GLLOZRGHOWIHNV-UHFFFAOYSA-N 1 1 221.260 1.832 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181829 592171224 /nfs/dbraw/zinc/17/12/24/592171224.db2.gz UUABYWQLRVZFGO-DTORHVGOSA-N 1 1 221.260 1.973 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181829 592171226 /nfs/dbraw/zinc/17/12/26/592171226.db2.gz UUABYWQLRVZFGO-DTORHVGOSA-N 1 1 221.260 1.973 20 5 BDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886346479 592213468 /nfs/dbraw/zinc/21/34/68/592213468.db2.gz JNUDNBKZKHXBNL-NTZNESFSSA-N 1 1 248.282 1.580 20 5 BDBDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CC[N+](=O)[O-] ZINC000931591575 634607717 /nfs/dbraw/zinc/60/77/17/634607717.db2.gz CMSXMDDHXKVMIL-VIFPVBQESA-N 1 1 232.349 1.727 20 5 BDBDMO C[C@@H]([NH2+][C@H]1CNOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925872160 635586958 /nfs/dbraw/zinc/58/69/58/635586958.db2.gz AGNIXWPMIHJUBM-SCZZXKLOSA-N 1 1 237.259 1.149 20 5 BDBDMO C[C@@H](O)C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051837831 631961514 /nfs/dbraw/zinc/96/15/14/631961514.db2.gz MALPQVDEQKYAKH-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051837831 631961522 /nfs/dbraw/zinc/96/15/22/631961522.db2.gz MALPQVDEQKYAKH-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO CC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000126264557 635724857 /nfs/dbraw/zinc/72/48/57/635724857.db2.gz RWVLQPINUSIZAE-SNVBAGLBSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000126264557 635724858 /nfs/dbraw/zinc/72/48/58/635724858.db2.gz RWVLQPINUSIZAE-SNVBAGLBSA-N 1 1 238.291 1.871 20 5 BDBDMO C[C@@H]1SCC[N@@H+](CC[N+](=O)[O-])[C@H]1C ZINC000306333064 636818362 /nfs/dbraw/zinc/81/83/62/636818362.db2.gz DSOPXRXUMFGEIN-YUMQZZPRSA-N 1 1 204.295 1.089 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000899887422 637149488 /nfs/dbraw/zinc/14/94/88/637149488.db2.gz SXYGKVOBDWAVFA-NSHDSACASA-N 1 1 240.303 1.154 20 5 BDBDMO CCCC[N@H+]1CCCC[C@H]1CNCC[N+](=O)[O-] ZINC000905083541 637581957 /nfs/dbraw/zinc/58/19/57/637581957.db2.gz WEUYFVNWPQHKCI-LBPRGKRZSA-N 1 1 243.351 1.507 20 5 BDBDMO CCC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC000905095343 637634846 /nfs/dbraw/zinc/63/48/46/637634846.db2.gz SCQJLVZWDWUTCZ-JTQLQIEISA-N 1 1 223.276 1.789 20 5 BDBDMO CSc1cc(C[NH2+]CC[N+](=O)[O-])ccn1 ZINC000905197073 637677816 /nfs/dbraw/zinc/67/78/16/637677816.db2.gz UPGCTPHXNHVLKW-UHFFFAOYSA-N 1 1 227.289 1.170 20 5 BDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000930207994 639637263 /nfs/dbraw/zinc/63/72/63/639637263.db2.gz HHYWVQURCBOXCZ-QMMMGPOBSA-N 1 1 239.231 1.522 20 5 BDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000930235320 639646920 /nfs/dbraw/zinc/64/69/20/639646920.db2.gz MLAFVJOFUUETIM-MRVPVSSYSA-N 1 1 239.231 1.522 20 5 BDBDMO CCOC1CC2(C1)CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000930466357 639767549 /nfs/dbraw/zinc/76/75/49/639767549.db2.gz JLDWDOADFZUQIE-UHFFFAOYSA-N 1 1 228.292 1.154 20 5 BDBDMO C[C@H]1CN(CC[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000930561356 639811505 /nfs/dbraw/zinc/81/15/05/639811505.db2.gz XAGOZBLGVLPSAR-NSHDSACASA-N 1 1 241.335 1.069 20 5 BDBDMO C[C@@H]1Cc2c([nH+]cn2CC[N+](=O)[O-])C[C@@H]1C ZINC000930609997 639820172 /nfs/dbraw/zinc/82/01/72/639820172.db2.gz OEWDQROVJTUQBM-DTWKUNHWSA-N 1 1 223.276 1.531 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000930612482 639821297 /nfs/dbraw/zinc/82/12/97/639821297.db2.gz QTYISKCVHWQHKZ-IJLUTSLNSA-N 1 1 242.319 1.279 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000931026027 640028115 /nfs/dbraw/zinc/02/81/15/640028115.db2.gz OMRBCGVGSIISQX-RYUDHWBXSA-N 1 1 242.319 1.544 20 5 BDBDMO O=[N+]([O-])c1ncccc1CN1CCn2cc[nH+]c21 ZINC000931517244 640243799 /nfs/dbraw/zinc/24/37/99/640243799.db2.gz DZNKWQIVTSCOES-UHFFFAOYSA-N 1 1 245.242 1.207 20 5 BDBDMO Cc1cncc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])c1 ZINC000931566398 640275605 /nfs/dbraw/zinc/27/56/05/640275605.db2.gz DNKGSRHIOFQBMS-GFCCVEGCSA-N 1 1 235.287 1.804 20 5 BDBDMO Cc1cncc([C@H]2CCC[N@H+]2CC[N+](=O)[O-])c1 ZINC000931566398 640275609 /nfs/dbraw/zinc/27/56/09/640275609.db2.gz DNKGSRHIOFQBMS-GFCCVEGCSA-N 1 1 235.287 1.804 20 5 BDBDMO Cc1csc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000931614711 640291077 /nfs/dbraw/zinc/29/10/77/640291077.db2.gz BTBSFKGHTGKWJH-SECBINFHSA-N 1 1 241.316 1.518 20 5 BDBDMO Cc1csc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000931614711 640291086 /nfs/dbraw/zinc/29/10/86/640291086.db2.gz BTBSFKGHTGKWJH-SECBINFHSA-N 1 1 241.316 1.518 20 5 BDBDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929766517 641512888 /nfs/dbraw/zinc/51/28/88/641512888.db2.gz NOMHVRBQYJAZLS-LBPRGKRZSA-N 1 1 237.303 1.829 20 5 BDBDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929766517 641512892 /nfs/dbraw/zinc/51/28/92/641512892.db2.gz NOMHVRBQYJAZLS-LBPRGKRZSA-N 1 1 237.303 1.829 20 5 BDBDMO Cn1cccc1[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000929766516 641513581 /nfs/dbraw/zinc/51/35/81/641513581.db2.gz NOMHVRBQYJAZLS-GFCCVEGCSA-N 1 1 237.303 1.829 20 5 BDBDMO Cn1cccc1[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929766516 641513588 /nfs/dbraw/zinc/51/35/88/641513588.db2.gz NOMHVRBQYJAZLS-GFCCVEGCSA-N 1 1 237.303 1.829 20 5 BDBDMO Cc1nn(C[C@@H]2CCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000915323216 641820302 /nfs/dbraw/zinc/82/03/02/641820302.db2.gz YDKADPFXJBTFBC-JTQLQIEISA-N 1 1 238.291 1.502 20 5 BDBDMO O=[N+]([O-])CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000929972261 642039191 /nfs/dbraw/zinc/03/91/91/642039191.db2.gz ZLRCRTHKPOILCE-UHFFFAOYSA-N 1 1 224.235 1.681 20 5 BDBDMO Cc1[nH+]ccn1CCCCn1ccnc1[N+](=O)[O-] ZINC000918368376 642189370 /nfs/dbraw/zinc/18/93/70/642189370.db2.gz IGDWMTNTPKBTSN-UHFFFAOYSA-N 1 1 249.274 1.777 20 5 BDBDMO CCCC[N@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000075582440 643185331 /nfs/dbraw/zinc/18/53/31/643185331.db2.gz MPKFEKVQBDHTSX-UHFFFAOYSA-N 1 1 226.280 1.871 20 5 BDBDMO CCCC[N@@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000075582440 643185336 /nfs/dbraw/zinc/18/53/36/643185336.db2.gz MPKFEKVQBDHTSX-UHFFFAOYSA-N 1 1 226.280 1.871 20 5 BDBDMO C[N@@H+](CCCc1ccccc1)CC[N+](=O)[O-] ZINC000929263309 646045039 /nfs/dbraw/zinc/04/50/39/646045039.db2.gz LDNTWKNBOCHCTF-UHFFFAOYSA-N 1 1 222.288 1.828 20 5 BDBDMO CC(C)[N@H+](CC[N+](=O)[O-])Cc1ccccn1 ZINC000929293166 646069236 /nfs/dbraw/zinc/06/92/36/646069236.db2.gz TUKAPZXFLZPBAD-UHFFFAOYSA-N 1 1 223.276 1.569 20 5 BDBDMO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1ccccn1 ZINC000929293166 646069242 /nfs/dbraw/zinc/06/92/42/646069242.db2.gz TUKAPZXFLZPBAD-UHFFFAOYSA-N 1 1 223.276 1.569 20 5 BDBDMO Cc1cccc2c1CC[N@H+](CC[N+](=O)[O-])C2 ZINC000929525443 646175741 /nfs/dbraw/zinc/17/57/41/646175741.db2.gz VUBCDVGPXWFGHD-UHFFFAOYSA-N 1 1 220.272 1.630 20 5 BDBDMO Cc1cccc2c1CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000929525443 646175748 /nfs/dbraw/zinc/17/57/48/646175748.db2.gz VUBCDVGPXWFGHD-UHFFFAOYSA-N 1 1 220.272 1.630 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000929891780 646368524 /nfs/dbraw/zinc/36/85/24/646368524.db2.gz RLVUSQNFAQVKSG-LBPRGKRZSA-N 1 1 236.271 1.806 20 5 BDBDMO CCC[N@@H+](CC[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000929967535 646379024 /nfs/dbraw/zinc/37/90/24/646379024.db2.gz AVZDOWHHZQEVHR-NSHDSACASA-N 1 1 230.308 1.544 20 5 BDBDMO Cc1cccc(CC2C[NH+](CC[N+](=O)[O-])C2)c1 ZINC000899880865 711803692 /nfs/dbraw/zinc/80/36/92/711803692.db2.gz BDKTYHFWUKJCIN-UHFFFAOYSA-N 1 1 234.299 1.746 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000712596154 712436004 /nfs/dbraw/zinc/43/60/04/712436004.db2.gz UHMFAJMKQVWDOL-MRVPVSSYSA-N 1 1 222.248 1.106 20 5 BDBDMO Cc1nc(NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000712608361 712437395 /nfs/dbraw/zinc/43/73/95/712437395.db2.gz SGZMFVJBCIZCDV-VIFPVBQESA-N 1 1 236.275 1.414 20 5 BDBDMO Cc1ccnc(NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000712616330 712438808 /nfs/dbraw/zinc/43/88/08/712438808.db2.gz QYJPLHYLPZFALY-SECBINFHSA-N 1 1 236.275 1.414 20 5 BDBDMO Cc1ccnc(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000712616330 712438810 /nfs/dbraw/zinc/43/88/10/712438810.db2.gz QYJPLHYLPZFALY-SECBINFHSA-N 1 1 236.275 1.414 20 5 BDBDMO C[C@@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000719598558 712813111 /nfs/dbraw/zinc/81/31/11/712813111.db2.gz IDKZRPJWQXLXEC-MFKMUULPSA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000719598558 712813112 /nfs/dbraw/zinc/81/31/12/712813112.db2.gz IDKZRPJWQXLXEC-MFKMUULPSA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000719601987 712815695 /nfs/dbraw/zinc/81/56/95/712815695.db2.gz NZUILJXEYCAINX-ZWNOBZJWSA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000719601987 712815696 /nfs/dbraw/zinc/81/56/96/712815696.db2.gz NZUILJXEYCAINX-ZWNOBZJWSA-N 1 1 249.314 1.777 20 5 BDBDMO CC1(C)COCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037703 969357964 /nfs/dbraw/zinc/35/79/64/969357964.db2.gz SXMMAXQIQCWPLK-WDEREUQCSA-N 1 1 242.319 1.543 20 5 BDBDMO CS[C@H]1CC[C@@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC001333832380 976113473 /nfs/dbraw/zinc/11/34/73/976113473.db2.gz GIXFVQASLRNLMC-BDAKNGLRSA-N 1 1 218.322 1.479 20 5 BDBDMO CC(C)(C)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001341025794 979202661 /nfs/dbraw/zinc/20/26/61/979202661.db2.gz PFWUCLFZYVRNJM-SECBINFHSA-N 1 1 200.282 1.631 20 5 BDBDMO N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246477305 972348548 /nfs/dbraw/zinc/34/85/48/972348548.db2.gz HSWGKTMBMXZNST-QCNOEVLYSA-N 1 1 241.335 1.291 20 5 BDBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001168985593 969300507 /nfs/dbraw/zinc/30/05/07/969300507.db2.gz TXRHQHYJDHZKSG-VHSXEESVSA-N 1 1 229.324 1.101 20 5 BDBDMO C[N@@H+](Cc1ccncc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011063 969338413 /nfs/dbraw/zinc/33/84/13/969338413.db2.gz HWVKFYLTZDKLAH-CHWSQXEVSA-N 1 1 249.314 1.959 20 5 BDBDMO C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011548 969339098 /nfs/dbraw/zinc/33/90/98/969339098.db2.gz KVHUJMKCZUWWNC-RCWTZXSCSA-N 1 1 230.283 1.864 20 5 BDBDMO C[C@H]1CC[C@@H](CO)[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013975 969341453 /nfs/dbraw/zinc/34/14/53/969341453.db2.gz XDYACHFBLPNWCV-QCNOEVLYSA-N 1 1 242.319 1.277 20 5 BDBDMO C[C@@H]1CC(=O)CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169014407 969341775 /nfs/dbraw/zinc/34/17/75/969341775.db2.gz ZKNAVUONWRUHHP-MXWKQRLJSA-N 1 1 240.303 1.485 20 5 BDBDMO CN(C)C1(C)C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169035250 969352646 /nfs/dbraw/zinc/35/26/46/969352646.db2.gz JRKQBUAZLQHWNW-MNOVXSKESA-N 1 1 241.335 1.068 20 5 BDBDMO CC(C)[N@@H+](CCCO)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037155 969355771 /nfs/dbraw/zinc/35/57/71/969355771.db2.gz QYOMLZVSUSOAKY-NWDGAFQWSA-N 1 1 244.335 1.525 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001169036126 969356429 /nfs/dbraw/zinc/35/64/29/969356429.db2.gz NDNCZZGPHCOAGN-IRCOFANPSA-N 1 1 224.304 1.916 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)CO1 ZINC001169035865 969358092 /nfs/dbraw/zinc/35/80/92/969358092.db2.gz DOSKTSLADQMSIV-WISYIIOYSA-N 1 1 242.319 1.541 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2Cc3ccncc3C2)C1 ZINC001169036361 969358172 /nfs/dbraw/zinc/35/81/72/969358172.db2.gz NWWWTVBJTFGPGL-ZWNOBZJWSA-N 1 1 247.298 1.843 20 5 BDBDMO C[N@@H+]1CC[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225488892 974526385 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ZINC001228915641 976576751 /nfs/dbraw/zinc/57/67/51/976576751.db2.gz IIMKJWHRCZZKEX-NSHDSACASA-N 1 1 236.271 1.986 20 5 BDBDMO NC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001246075233 987364900 /nfs/dbraw/zinc/36/49/00/987364900.db2.gz JMCFHZLITMHUTE-MNOVXSKESA-N 1 1 241.335 1.293 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCNC2)C1 ZINC001246091306 987396340 /nfs/dbraw/zinc/39/63/40/987396340.db2.gz OVPMNWGRCVQSAX-UTUOFQBUSA-N 1 1 241.335 1.164 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1[NH3+] ZINC001246564217 988016144 /nfs/dbraw/zinc/01/61/44/988016144.db2.gz DPCZQCISRLJWKE-KXNHARMFSA-N 1 1 241.335 1.101 20 5 BDBDMO CCC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC001262259134 992822491 /nfs/dbraw/zinc/82/24/91/992822491.db2.gz BQKJDQDHQFFVHW-SNVBAGLBSA-N 1 1 200.282 1.918 20 5 BDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000118597162 343050178 /nfs/dbraw/zinc/05/01/78/343050178.db2.gz LYVPWDUVRNOERF-LLVKDONJSA-N 1 1 248.286 1.274 20 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240.234 1.301 20 5 BDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)C1 ZINC000072632479 351328716 /nfs/dbraw/zinc/32/87/16/351328716.db2.gz OHIDJZQBIRLFKQ-UWVGGRQHSA-N 1 1 236.271 1.722 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC23CCC3)c1 ZINC000081515643 370886427 /nfs/dbraw/zinc/88/64/27/370886427.db2.gz MMGXYSWAKQBDNJ-UHFFFAOYSA-N 1 1 236.275 1.420 20 5 BDBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602476100 371809636 /nfs/dbraw/zinc/80/96/36/371809636.db2.gz CKUXLJQPHTXBMW-UHFFFAOYSA-N 1 1 238.291 1.703 20 5 BDBDMO Cn1cc(C[N@H+](C)C2CCC2)c([N+](=O)[O-])n1 ZINC000602475279 371809999 /nfs/dbraw/zinc/80/99/99/371809999.db2.gz SLGURTXRNMWAQQ-UHFFFAOYSA-N 1 1 224.264 1.313 20 5 BDBDMO Cn1cc(C[N@@H+](C)C2CCC2)c([N+](=O)[O-])n1 ZINC000602475279 371810011 /nfs/dbraw/zinc/81/00/11/371810011.db2.gz SLGURTXRNMWAQQ-UHFFFAOYSA-N 1 1 224.264 1.313 20 5 BDBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176204000 384467318 /nfs/dbraw/zinc/46/73/18/384467318.db2.gz ANNXUOVROSLBGY-UHFFFAOYSA-N 1 1 238.291 1.664 20 5 BDBDMO C[C@@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158874911 384560000 /nfs/dbraw/zinc/56/00/00/384560000.db2.gz DLFLMWZCJBCZRY-VIFPVBQESA-N 1 1 224.260 1.407 20 5 BDBDMO C[C@@H](CN)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414964210 385901733 /nfs/dbraw/zinc/90/17/33/385901733.db2.gz YJZZMOODQJXGPF-RWCYGVJQSA-N 1 1 235.287 1.545 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CCCc1c[nH+]cn1C ZINC000518796965 386763413 /nfs/dbraw/zinc/76/34/13/386763413.db2.gz GIYAZBDVEVUQDZ-UHFFFAOYSA-N 1 1 249.274 1.466 20 5 BDBDMO C[N@@H+](CCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000170871278 388586247 /nfs/dbraw/zinc/58/62/47/388586247.db2.gz CZMFDHSJALNGSW-UHFFFAOYSA-N 1 1 238.287 1.799 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC1CCC1 ZINC000331981235 388782494 /nfs/dbraw/zinc/78/24/94/388782494.db2.gz NDNSUPGPHIRQED-UHFFFAOYSA-N 1 1 238.291 1.560 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC1CCC1 ZINC000331981235 388782495 /nfs/dbraw/zinc/78/24/95/388782495.db2.gz NDNSUPGPHIRQED-UHFFFAOYSA-N 1 1 238.291 1.560 20 5 BDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000285441844 388835647 /nfs/dbraw/zinc/83/56/47/388835647.db2.gz IJWZDJRSKCKGSM-UHFFFAOYSA-N 1 1 236.271 1.552 20 5 BDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000285441844 388835651 /nfs/dbraw/zinc/83/56/51/388835651.db2.gz IJWZDJRSKCKGSM-UHFFFAOYSA-N 1 1 236.271 1.552 20 5 BDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C2CC2)CC1 ZINC000049390327 132228399 /nfs/dbraw/zinc/22/83/99/132228399.db2.gz KNHKUIINUNWCNO-UHFFFAOYSA-N 1 1 248.286 1.274 20 5 BDBDMO CC[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357936394 171620568 /nfs/dbraw/zinc/62/05/68/171620568.db2.gz MXYHLEWJSHLXHR-JTQLQIEISA-N 1 1 238.291 1.666 20 5 BDBDMO C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000077324188 173089802 /nfs/dbraw/zinc/08/98/02/173089802.db2.gz KJUQQSOQPBDBQG-UHFFFAOYSA-N 1 1 241.316 1.404 20 5 BDBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770080 173117270 /nfs/dbraw/zinc/11/72/70/173117270.db2.gz LMAPMKRZGWCECL-ZETCQYMHSA-N 1 1 242.304 1.415 20 5 BDBDMO COCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285396879 174278708 /nfs/dbraw/zinc/27/87/08/174278708.db2.gz SXBJGJMUCDFWJE-UHFFFAOYSA-N 1 1 238.287 1.716 20 5 BDBDMO C[C@H]1C[N@H+](C)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994428 177236619 /nfs/dbraw/zinc/23/66/19/177236619.db2.gz MXAOSDZOTDJREW-JQWIXIFHSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994428 177236621 /nfs/dbraw/zinc/23/66/21/177236621.db2.gz MXAOSDZOTDJREW-JQWIXIFHSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351810986 177265439 /nfs/dbraw/zinc/26/54/39/177265439.db2.gz OLMPZJFMKMMXRX-CABZTGNLSA-N 1 1 236.271 1.407 20 5 BDBDMO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000725780058 582848313 /nfs/dbraw/zinc/84/83/13/582848313.db2.gz WIOFVOCQIHABFH-MRVPVSSYSA-N 1 1 210.237 1.091 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000725780058 582848314 /nfs/dbraw/zinc/84/83/14/582848314.db2.gz WIOFVOCQIHABFH-MRVPVSSYSA-N 1 1 210.237 1.091 20 5 BDBDMO C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000725777666 582848764 /nfs/dbraw/zinc/84/87/64/582848764.db2.gz HIPJZQMTRRWQFN-QMMMGPOBSA-N 1 1 210.237 1.091 20 5 BDBDMO C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000725777666 582848765 /nfs/dbraw/zinc/84/87/65/582848765.db2.gz HIPJZQMTRRWQFN-QMMMGPOBSA-N 1 1 210.237 1.091 20 5 BDBDMO Cc1cc(-c2noc([C@@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843239770 582873484 /nfs/dbraw/zinc/87/34/84/582873484.db2.gz PWNGLAQBTWVTRC-SSDOTTSWSA-N 1 1 248.242 1.973 20 5 BDBDMO O=[N+]([O-])c1ncccc1N[C@@H]1Cc2c[nH+]cn2C1 ZINC000894996152 583566495 /nfs/dbraw/zinc/56/64/95/583566495.db2.gz UGNSWHBDZPLIAM-MRVPVSSYSA-N 1 1 245.242 1.223 20 5 BDBDMO COCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000895972016 583756879 /nfs/dbraw/zinc/75/68/79/583756879.db2.gz QMJGWQINEHBPHP-UHFFFAOYSA-N 1 1 236.271 1.673 20 5 BDBDMO COc1ccc(C)cc1C[NH2+]CC[N+](=O)[O-] ZINC000899866409 584245358 /nfs/dbraw/zinc/24/53/58/584245358.db2.gz NGAGXZCEFPSVKU-UHFFFAOYSA-N 1 1 224.260 1.370 20 5 BDBDMO C[N@@H+](Cc1ccccc1)C1CN(CC[N+](=O)[O-])C1 ZINC000899885070 584246529 /nfs/dbraw/zinc/24/65/29/584246529.db2.gz GBUCAUHLGGHPJM-UHFFFAOYSA-N 1 1 249.314 1.079 20 5 BDBDMO Cc1ccc(CC2C[NH+](CC[N+](=O)[O-])C2)cc1 ZINC000899893636 584248923 /nfs/dbraw/zinc/24/89/23/584248923.db2.gz UJPFQCPTYBJSAA-UHFFFAOYSA-N 1 1 234.299 1.746 20 5 BDBDMO C[C@@H]1C[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000740861873 585107761 /nfs/dbraw/zinc/10/77/61/585107761.db2.gz ZQMAUTUVTQBHRT-RKDXNWHRSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000740861873 585107762 /nfs/dbraw/zinc/10/77/62/585107762.db2.gz ZQMAUTUVTQBHRT-RKDXNWHRSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1C[NH+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000751928084 585239238 /nfs/dbraw/zinc/23/92/38/585239238.db2.gz LRPXNTTTZVFOMQ-RKDXNWHRSA-N 1 1 224.264 1.337 20 5 BDBDMO CC[C@]1(C)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000758392845 585355662 /nfs/dbraw/zinc/35/56/62/585355662.db2.gz UBDHGYRAQAFLOC-LLVKDONJSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@]1(C)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000758392845 585355663 /nfs/dbraw/zinc/35/56/63/585355663.db2.gz UBDHGYRAQAFLOC-LLVKDONJSA-N 1 1 238.291 1.871 20 5 BDBDMO Cc1nn(C[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779860046 585769187 /nfs/dbraw/zinc/76/91/87/585769187.db2.gz RJAGIBQXYONLRJ-QMMMGPOBSA-N 1 1 224.264 1.399 20 5 BDBDMO Cc1nn(C[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779860046 585769188 /nfs/dbraw/zinc/76/91/88/585769188.db2.gz RJAGIBQXYONLRJ-QMMMGPOBSA-N 1 1 224.264 1.399 20 5 BDBDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC[N+](=O)[O-] ZINC000791052115 585972584 /nfs/dbraw/zinc/97/25/84/585972584.db2.gz LMIGVXZXKSJYSY-MXWKQRLJSA-N 1 1 212.293 1.916 20 5 BDBDMO CC(C)[C@@H]1C[N@@H+](CC[N+](=O)[O-])CCS1 ZINC000791052048 585972796 /nfs/dbraw/zinc/97/27/96/585972796.db2.gz KJHVDCAEGWDPQM-VIFPVBQESA-N 1 1 218.322 1.337 20 5 BDBDMO C[N@@H+](CCCOc1ccccc1)CC[N+](=O)[O-] ZINC000791052785 585972847 /nfs/dbraw/zinc/97/28/47/585972847.db2.gz DCBHOGNPDGLCNX-UHFFFAOYSA-N 1 1 238.287 1.664 20 5 BDBDMO CS[C@@H]1CCCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791055133 585973013 /nfs/dbraw/zinc/97/30/13/585973013.db2.gz PLLIZVIFXHBRGM-SECBINFHSA-N 1 1 218.322 1.481 20 5 BDBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000791055813 585973734 /nfs/dbraw/zinc/97/37/34/585973734.db2.gz YVDPIBJRKVYIKB-WDEREUQCSA-N 1 1 238.291 1.043 20 5 BDBDMO CC[NH2+]Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843234225 588094487 /nfs/dbraw/zinc/09/44/87/588094487.db2.gz SNGIONBCPNOBSU-UHFFFAOYSA-N 1 1 242.279 1.167 20 5 BDBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000876560238 590216050 /nfs/dbraw/zinc/21/60/50/590216050.db2.gz GFQUPRUOVIOHCF-UHFFFAOYSA-N 1 1 226.280 1.559 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](CF)C2)c1 ZINC000880293170 590987329 /nfs/dbraw/zinc/98/73/29/590987329.db2.gz FHENJFGMEWLEPZ-VIFPVBQESA-N 1 1 242.254 1.083 20 5 BDBDMO C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885980002 592120407 /nfs/dbraw/zinc/12/04/07/592120407.db2.gz QRCGNYACMYPREA-VIFPVBQESA-N 1 1 221.260 1.832 20 5 BDBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886218617 592178887 /nfs/dbraw/zinc/17/88/87/592178887.db2.gz ZHMFAPJKHWYUKA-DTWKUNHWSA-N 1 1 221.260 1.830 20 5 BDBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886218617 592178889 /nfs/dbraw/zinc/17/88/89/592178889.db2.gz ZHMFAPJKHWYUKA-DTWKUNHWSA-N 1 1 221.260 1.830 20 5 BDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000886317118 592207693 /nfs/dbraw/zinc/20/76/93/592207693.db2.gz YVNCSNFNHVPLIR-VIFPVBQESA-N 1 1 239.250 1.781 20 5 BDBDMO Cn1cc(C[N@H+](C)CCCF)c([N+](=O)[O-])n1 ZINC000887144059 592460869 /nfs/dbraw/zinc/46/08/69/592460869.db2.gz ZRLPNEBNJGTTBN-UHFFFAOYSA-N 1 1 230.243 1.120 20 5 BDBDMO Cn1cc(C[N@@H+](C)CCCF)c([N+](=O)[O-])n1 ZINC000887144059 592460871 /nfs/dbraw/zinc/46/08/71/592460871.db2.gz ZRLPNEBNJGTTBN-UHFFFAOYSA-N 1 1 230.243 1.120 20 5 BDBDMO CSC[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000308299564 631273622 /nfs/dbraw/zinc/27/36/22/631273622.db2.gz JPQWTRBMNASNPK-MRVPVSSYSA-N 1 1 204.295 1.091 20 5 BDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(F)c1F ZINC000309406688 632049193 /nfs/dbraw/zinc/04/91/93/632049193.db2.gz IAUFWRLQIAJSJJ-ZETCQYMHSA-N 1 1 230.214 1.892 20 5 BDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178857031 635747619 /nfs/dbraw/zinc/74/76/19/635747619.db2.gz FUEAXNVRWZHIBU-GFCCVEGCSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000123093095 634197893 /nfs/dbraw/zinc/19/78/93/634197893.db2.gz SUNVTBDMNMPKJW-SECBINFHSA-N 1 1 224.264 1.481 20 5 BDBDMO C[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000123093095 634197899 /nfs/dbraw/zinc/19/78/99/634197899.db2.gz SUNVTBDMNMPKJW-SECBINFHSA-N 1 1 224.264 1.481 20 5 BDBDMO CN1Cc2ccccc2[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905189446 637669816 /nfs/dbraw/zinc/66/98/16/637669816.db2.gz SYCJSCNFRMVTHK-LBPRGKRZSA-N 1 1 235.287 1.039 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000905643115 637880263 /nfs/dbraw/zinc/88/02/63/637880263.db2.gz IIHPRDHIOMCZLZ-SNVBAGLBSA-N 1 1 240.234 1.516 20 5 BDBDMO C[C@@H]1CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975243 637991446 /nfs/dbraw/zinc/99/14/46/637991446.db2.gz PYNMUXPDVVKSHW-BXKDBHETSA-N 1 1 236.271 1.722 20 5 BDBDMO CC1(C)C[N@H+](CC[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000930507028 639778866 /nfs/dbraw/zinc/77/88/66/639778866.db2.gz BKQQYRLCCBITNV-ZJUUUORDSA-N 1 1 228.292 1.153 20 5 BDBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000930507028 639778872 /nfs/dbraw/zinc/77/88/72/639778872.db2.gz BKQQYRLCCBITNV-ZJUUUORDSA-N 1 1 228.292 1.153 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000930516549 639794699 /nfs/dbraw/zinc/79/46/99/639794699.db2.gz MPSFOOKALRERTG-LLVKDONJSA-N 1 1 221.260 1.148 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000930810005 639913452 /nfs/dbraw/zinc/91/34/52/639913452.db2.gz FEOMQZSVCQIYLM-GHMZBOCLSA-N 1 1 228.292 1.154 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000930809013 639914079 /nfs/dbraw/zinc/91/40/79/639914079.db2.gz GCCYESUJKNCICT-LBPRGKRZSA-N 1 1 236.271 1.416 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000930809013 639914082 /nfs/dbraw/zinc/91/40/82/639914082.db2.gz GCCYESUJKNCICT-LBPRGKRZSA-N 1 1 236.271 1.416 20 5 BDBDMO CC[C@H]1COC(C)(C)C[N@H+]1CC[N+](=O)[O-] ZINC000930847140 639943694 /nfs/dbraw/zinc/94/36/94/639943694.db2.gz BMBJMQSHLNZZRI-VIFPVBQESA-N 1 1 216.281 1.153 20 5 BDBDMO CC[C@H]1COC(C)(C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930847140 639943690 /nfs/dbraw/zinc/94/36/90/639943690.db2.gz BMBJMQSHLNZZRI-VIFPVBQESA-N 1 1 216.281 1.153 20 5 BDBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931058883 640046511 /nfs/dbraw/zinc/04/65/11/640046511.db2.gz FJKKSRLWBPBEBN-CYBMUJFWSA-N 1 1 249.314 1.474 20 5 BDBDMO C/C=C/C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931339159 640165481 /nfs/dbraw/zinc/16/54/81/640165481.db2.gz VXLGDTCQLAPIHV-VUDBWIFFSA-N 1 1 212.293 1.941 20 5 BDBDMO Cc1ccccc1[C@@H](CO)[N@H+](C)CC[N+](=O)[O-] ZINC000931743879 640342617 /nfs/dbraw/zinc/34/26/17/640342617.db2.gz JKZYUWMHVQPXQL-GFCCVEGCSA-N 1 1 238.287 1.237 20 5 BDBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)CC[N+](=O)[O-] ZINC000931743879 640342621 /nfs/dbraw/zinc/34/26/21/640342621.db2.gz JKZYUWMHVQPXQL-GFCCVEGCSA-N 1 1 238.287 1.237 20 5 BDBDMO CC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178396 640448450 /nfs/dbraw/zinc/44/84/50/640448450.db2.gz NHNPVEXIMZWABT-SECBINFHSA-N 1 1 222.244 1.834 20 5 BDBDMO C[N@H+](CC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000194002636 641869364 /nfs/dbraw/zinc/86/93/64/641869364.db2.gz AZQPWSXTTJHDEC-UHFFFAOYSA-N 1 1 210.237 1.091 20 5 BDBDMO C[N@@H+](CC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000194002636 641869368 /nfs/dbraw/zinc/86/93/68/641869368.db2.gz AZQPWSXTTJHDEC-UHFFFAOYSA-N 1 1 210.237 1.091 20 5 BDBDMO Cc1[nH]c(C)c(Cn2c(C)ncc2[N+](=O)[O-])[nH+]1 ZINC000916772231 641977971 /nfs/dbraw/zinc/97/79/71/641977971.db2.gz AUBOVSWDKNLOIB-UHFFFAOYSA-N 1 1 235.247 1.488 20 5 BDBDMO Cc1[nH]c(Cn2c(C)ncc2[N+](=O)[O-])c(C)[nH+]1 ZINC000916772231 641977974 /nfs/dbraw/zinc/97/79/74/641977974.db2.gz AUBOVSWDKNLOIB-UHFFFAOYSA-N 1 1 235.247 1.488 20 5 BDBDMO CC(C)[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000920484083 642509447 /nfs/dbraw/zinc/50/94/47/642509447.db2.gz BSUHLOLNDMQOBZ-LLVKDONJSA-N 1 1 238.291 1.869 20 5 BDBDMO CC(C)([NH3+])CCNCc1ccc([N+](=O)[O-])cc1 ZINC000306113841 643302977 /nfs/dbraw/zinc/30/29/77/643302977.db2.gz YGROKBGFLBGDGU-UHFFFAOYSA-N 1 1 237.303 1.812 20 5 BDBDMO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])[C@H]1C ZINC000247069622 644619936 /nfs/dbraw/zinc/61/99/36/644619936.db2.gz UVMITGGWDFTKHP-BDAKNGLRSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])[C@H]1C ZINC000247069622 644619944 /nfs/dbraw/zinc/61/99/44/644619944.db2.gz UVMITGGWDFTKHP-BDAKNGLRSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@H]1CC(C)(C)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000840182380 644894277 /nfs/dbraw/zinc/89/42/77/644894277.db2.gz FKOOXXDXVHRFDQ-VIFPVBQESA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@H]1CC(C)(C)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000840182380 644894283 /nfs/dbraw/zinc/89/42/83/644894283.db2.gz FKOOXXDXVHRFDQ-VIFPVBQESA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929850649 646362022 /nfs/dbraw/zinc/36/20/22/646362022.db2.gz LPQIBBGMMRFMSA-JTQLQIEISA-N 1 1 238.287 1.532 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000930116290 646440284 /nfs/dbraw/zinc/44/02/84/646440284.db2.gz VLLSRUKDOOGPJF-LLVKDONJSA-N 1 1 221.260 1.495 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000930116290 646440288 /nfs/dbraw/zinc/44/02/88/646440288.db2.gz VLLSRUKDOOGPJF-LLVKDONJSA-N 1 1 221.260 1.495 20 5 BDBDMO C[N@H+](CC[N+](=O)[O-])Cc1cccc(F)c1 ZINC000791054346 712422373 /nfs/dbraw/zinc/42/23/73/712422373.db2.gz TWFJAVMEQAYVCW-UHFFFAOYSA-N 1 1 212.224 1.534 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])Cc1cccc(F)c1 ZINC000791054346 712422374 /nfs/dbraw/zinc/42/23/74/712422374.db2.gz TWFJAVMEQAYVCW-UHFFFAOYSA-N 1 1 212.224 1.534 20 5 BDBDMO C[C@H]1[C@H](NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719604325 712815922 /nfs/dbraw/zinc/81/59/22/712815922.db2.gz UUUDAXZAUGDMCN-CMPLNLGQSA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@H]1[C@H](NCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719604325 712815923 /nfs/dbraw/zinc/81/59/23/712815923.db2.gz UUUDAXZAUGDMCN-CMPLNLGQSA-N 1 1 249.314 1.777 20 5 BDBDMO CC(C)[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005653 969328892 /nfs/dbraw/zinc/32/88/92/969328892.db2.gz BWJKJDKEZREJRZ-NXEZZACHSA-N 1 1 200.282 1.772 20 5 BDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169010244 969338677 /nfs/dbraw/zinc/33/86/77/969338677.db2.gz BSAFAKNWVIETFM-YTWAJWBKSA-N 1 1 230.283 1.722 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042457 969362450 /nfs/dbraw/zinc/36/24/50/969362450.db2.gz DOSKTSLADQMSIV-QCNOEVLYSA-N 1 1 242.319 1.541 20 5 BDBDMO CC(=O)[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169049231 969365380 /nfs/dbraw/zinc/36/53/80/969365380.db2.gz WJDNMEBXMSQLDD-TUAOUCFPSA-N 1 1 240.303 1.343 20 5 BDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC001332850523 975289748 /nfs/dbraw/zinc/28/97/48/975289748.db2.gz XRIRPGHQSMSTST-VWYCJHECSA-N 1 1 212.293 1.774 20 5 BDBDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC[N+](=O)[O-] ZINC001334682150 976583343 /nfs/dbraw/zinc/58/33/43/976583343.db2.gz UKPWMCPVIIPZDQ-JGVFFNPUSA-N 1 1 240.225 1.926 20 5 BDBDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC[N+](=O)[O-] ZINC001334682150 976583358 /nfs/dbraw/zinc/58/33/58/976583358.db2.gz UKPWMCPVIIPZDQ-JGVFFNPUSA-N 1 1 240.225 1.926 20 5 BDBDMO C[N@H+]1CCCC[C@H]1CO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224708316 973879926 /nfs/dbraw/zinc/87/99/26/973879926.db2.gz XHAQYDUDXMPZHR-NWDGAFQWSA-N 1 1 242.319 1.543 20 5 BDBDMO Cc1cccc(N[C@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170899394 972060809 /nfs/dbraw/zinc/06/08/09/972060809.db2.gz JURVWCLMGZIOTR-JTQLQIEISA-N 1 1 238.291 1.339 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000712597188 957618065 /nfs/dbraw/zinc/61/80/65/957618065.db2.gz WZOQMFMYHBNARM-SECBINFHSA-N 1 1 221.260 1.711 20 5 BDBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634368 962463562 /nfs/dbraw/zinc/46/35/62/962463562.db2.gz VZNUHKLDSKOOSV-SNVBAGLBSA-N 1 1 237.259 1.463 20 5 BDBDMO C[NH2+][C@@H]1CCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001156658988 963431988 /nfs/dbraw/zinc/43/19/88/963431988.db2.gz JQEHXYKGXWAXRC-VIFPVBQESA-N 1 1 236.275 1.362 20 5 BDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C)C1 ZINC000052812602 963547847 /nfs/dbraw/zinc/54/78/47/963547847.db2.gz HCPWZGACMFGCQA-VIFPVBQESA-N 1 1 236.275 1.414 20 5 BDBDMO Cc1cnc(N2CC[N@H+]3CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001158425897 963869761 /nfs/dbraw/zinc/86/97/61/963869761.db2.gz TUFFJAPFKHFOQR-SNVBAGLBSA-N 1 1 248.286 1.193 20 5 BDBDMO Cc1cc(O[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228832847 963896849 /nfs/dbraw/zinc/89/68/49/963896849.db2.gz FDZHQMOJOKFEGP-LLVKDONJSA-N 1 1 236.271 1.986 20 5 BDBDMO CN(C)CCC[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005246 969329542 /nfs/dbraw/zinc/32/95/42/969329542.db2.gz AABYFPWVSGSUII-RYUDHWBXSA-N 1 1 243.351 1.315 20 5 BDBDMO CN(C)CCC[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005246 969329550 /nfs/dbraw/zinc/32/95/50/969329550.db2.gz AABYFPWVSGSUII-RYUDHWBXSA-N 1 1 243.351 1.315 20 5 BDBDMO C[N@@H+](CC1CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005739 969329753 /nfs/dbraw/zinc/32/97/53/969329753.db2.gz CNCXFLBGNAVSSJ-QWRGUYRKSA-N 1 1 212.293 1.774 20 5 BDBDMO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169005976 969330160 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ZINC001169055876 969372779 /nfs/dbraw/zinc/37/27/79/969372779.db2.gz QXXFDTZQCJDHCV-IJLUTSLNSA-N 1 1 241.335 1.068 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](O)C1)C2 ZINC001254598483 969744035 /nfs/dbraw/zinc/74/40/35/969744035.db2.gz JWQYSMJJIZGTCD-CHWSQXEVSA-N 1 1 248.282 1.129 20 5 BDBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711111 975042542 /nfs/dbraw/zinc/04/25/42/975042542.db2.gz ZTWVIBXFZBVEKL-JTQLQIEISA-N 1 1 237.259 1.463 20 5 BDBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])CC1(C)C ZINC001332902658 975316629 /nfs/dbraw/zinc/31/66/29/975316629.db2.gz NZAHIOTUJTUUSP-VIFPVBQESA-N 1 1 200.282 1.631 20 5 BDBDMO Cc1cc(C)c2c(c1)C[N@@H+](CC[N+](=O)[O-])CC2 ZINC001332937903 975330705 /nfs/dbraw/zinc/33/07/05/975330705.db2.gz QNAXXBCZFKOJJB-UHFFFAOYSA-N 1 1 234.299 1.938 20 5 BDBDMO Cc1cc(C)c2c(c1)C[N@H+](CC[N+](=O)[O-])CC2 ZINC001332937903 975330715 /nfs/dbraw/zinc/33/07/15/975330715.db2.gz QNAXXBCZFKOJJB-UHFFFAOYSA-N 1 1 234.299 1.938 20 5 BDBDMO Cc1ccc(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001230143633 977119927 /nfs/dbraw/zinc/11/99/27/977119927.db2.gz NCWGBVJLWIGKCR-JTQLQIEISA-N 1 1 236.271 1.986 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCNC2)C1 ZINC001246091305 987397189 /nfs/dbraw/zinc/39/71/89/987397189.db2.gz OVPMNWGRCVQSAX-IJLUTSLNSA-N 1 1 241.335 1.164 20 5 BDBDMO C[N@H+](CCCC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC001473861091 987594513 /nfs/dbraw/zinc/59/45/13/987594513.db2.gz NWOARHBYLHKTFR-UHFFFAOYSA-N 1 1 246.307 1.317 20 5 BDBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC001473861091 987594524 /nfs/dbraw/zinc/59/45/24/987594524.db2.gz NWOARHBYLHKTFR-UHFFFAOYSA-N 1 1 246.307 1.317 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1[NH3+] ZINC001246564219 988011164 /nfs/dbraw/zinc/01/11/64/988011164.db2.gz DPCZQCISRLJWKE-WYUUTHIRSA-N 1 1 241.335 1.101 20 5 BDBDMO O=[N+]([O-])c1cccc(C[NH+]2CC3(C2)CCOC3)c1 ZINC001324293044 988783968 /nfs/dbraw/zinc/78/39/68/988783968.db2.gz 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ZINC000602647409 349658469 /nfs/dbraw/zinc/65/84/69/349658469.db2.gz IHVZHMVSVLRVBY-OCAPTIKFSA-N 1 1 224.264 1.311 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602647409 349658473 /nfs/dbraw/zinc/65/84/73/349658473.db2.gz IHVZHMVSVLRVBY-OCAPTIKFSA-N 1 1 224.264 1.311 20 5 BDBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C)CC1 ZINC000115002654 345676100 /nfs/dbraw/zinc/67/61/00/345676100.db2.gz ISCWEVICGCVNLI-UHFFFAOYSA-N 1 1 235.287 1.655 20 5 BDBDMO O=[N+]([O-])c1cc(F)cnc1NCC[NH+]1CCC1 ZINC000601134976 346230898 /nfs/dbraw/zinc/23/08/98/346230898.db2.gz PGDJIFXJLGKTNR-UHFFFAOYSA-N 1 1 240.238 1.247 20 5 BDBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292196143 350890495 /nfs/dbraw/zinc/89/04/95/350890495.db2.gz NODQBXKNRHIBBF-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352186189 134099370 /nfs/dbraw/zinc/09/93/70/134099370.db2.gz JSPDMANRXCKFKQ-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1 ZINC000421021275 192305936 /nfs/dbraw/zinc/30/59/36/192305936.db2.gz OJKRIFHMTJSVOF-CYBMUJFWSA-N 1 1 248.282 1.960 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]23CCOC3)cc1 ZINC000421021275 192305939 /nfs/dbraw/zinc/30/59/39/192305939.db2.gz OJKRIFHMTJSVOF-CYBMUJFWSA-N 1 1 248.282 1.960 20 5 BDBDMO CC[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331021071 371269103 /nfs/dbraw/zinc/26/91/03/371269103.db2.gz YBIXYGFRDBEGGX-SNVBAGLBSA-N 1 1 238.291 1.666 20 5 BDBDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602449140 371805372 /nfs/dbraw/zinc/80/53/72/371805372.db2.gz NRUPSVZJMXPSHL-QMMMGPOBSA-N 1 1 224.264 1.170 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](F)C1 ZINC000602842773 371846871 /nfs/dbraw/zinc/84/68/71/371846871.db2.gz SUMBTRLOBNKJEJ-SECBINFHSA-N 1 1 242.254 1.144 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](F)C1 ZINC000602842773 371846879 /nfs/dbraw/zinc/84/68/79/371846879.db2.gz SUMBTRLOBNKJEJ-SECBINFHSA-N 1 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JMQMRFQPFSZAJO-UHFFFAOYSA-N 1 1 249.314 1.780 20 5 BDBDMO C[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000044386090 384656553 /nfs/dbraw/zinc/65/65/53/384656553.db2.gz PTGBDXQGAXATQP-NSHDSACASA-N 1 1 235.287 1.389 20 5 BDBDMO C[N@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000044386090 384656559 /nfs/dbraw/zinc/65/65/59/384656559.db2.gz PTGBDXQGAXATQP-NSHDSACASA-N 1 1 235.287 1.389 20 5 BDBDMO C[N@H+]1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000450798962 384927874 /nfs/dbraw/zinc/92/78/74/384927874.db2.gz WERYGSYXJGIJPK-MFKMUULPSA-N 1 1 247.298 1.735 20 5 BDBDMO Cc1c(C[N@H+](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000135506120 385032313 /nfs/dbraw/zinc/03/23/13/385032313.db2.gz FCTIFWBQSIXTAM-SECBINFHSA-N 1 1 238.287 1.716 20 5 BDBDMO Cc1cnccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000337313738 385604009 /nfs/dbraw/zinc/60/40/09/385604009.db2.gz AVDXIZMWNCKVTH-UHFFFAOYSA-N 1 1 246.226 1.301 20 5 BDBDMO CCCC[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355792955 385848365 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388762981 /nfs/dbraw/zinc/76/29/81/388762981.db2.gz UFZXHXKOUPEZGO-UHFFFAOYSA-N 1 1 226.280 1.560 20 5 BDBDMO CCCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331072086 388762984 /nfs/dbraw/zinc/76/29/84/388762984.db2.gz UFZXHXKOUPEZGO-UHFFFAOYSA-N 1 1 226.280 1.560 20 5 BDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000174857539 134285168 /nfs/dbraw/zinc/28/51/68/134285168.db2.gz IKYBOFRKIYEQRY-UHFFFAOYSA-N 1 1 238.291 1.523 20 5 BDBDMO CC(C)[C@@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267071534 167367483 /nfs/dbraw/zinc/36/74/83/167367483.db2.gz LCHHIOHGACQXAT-SNVBAGLBSA-N 1 1 240.307 1.768 20 5 BDBDMO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044725863 411140128 /nfs/dbraw/zinc/14/01/28/411140128.db2.gz ZSLSZGYQTOVZIP-SECBINFHSA-N 1 1 248.286 1.638 20 5 BDBDMO CC1=CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000270320876 168115492 /nfs/dbraw/zinc/11/54/92/168115492.db2.gz KGQASMCIYWWXAG-UHFFFAOYSA-N 1 1 236.275 1.443 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351810984 176305679 /nfs/dbraw/zinc/30/56/79/176305679.db2.gz OLMPZJFMKMMXRX-BXKDBHETSA-N 1 1 236.271 1.407 20 5 BDBDMO C[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176190490 177076644 /nfs/dbraw/zinc/07/66/44/177076644.db2.gz XQNWJXUHRGGQFA-JTQLQIEISA-N 1 1 238.291 1.666 20 5 BDBDMO CC1(C)CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000112695280 588812869 /nfs/dbraw/zinc/81/28/69/588812869.db2.gz DFSXLEWWTIAKKB-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO CC1(C)CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000112695280 588812870 /nfs/dbraw/zinc/81/28/70/588812870.db2.gz DFSXLEWWTIAKKB-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO C[N@H+]1C[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000893940408 583255183 /nfs/dbraw/zinc/25/51/83/583255183.db2.gz OHWMBLKFPAERRD-KOLCDFICSA-N 1 1 248.286 1.130 20 5 BDBDMO CC[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000727824695 583779090 /nfs/dbraw/zinc/77/90/90/583779090.db2.gz KGBKNEGNIWUBIO-SECBINFHSA-N 1 1 224.264 1.623 20 5 BDBDMO CC[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000727824695 583779092 /nfs/dbraw/zinc/77/90/92/583779092.db2.gz KGBKNEGNIWUBIO-SECBINFHSA-N 1 1 224.264 1.623 20 5 BDBDMO C[NH+](C)[C@H](CNCC[N+](=O)[O-])c1cccs1 ZINC000899859671 584242508 /nfs/dbraw/zinc/24/25/08/584242508.db2.gz MBGWLCJGNWBWCJ-SECBINFHSA-N 1 1 243.332 1.217 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000899888041 584247416 /nfs/dbraw/zinc/24/74/16/584247416.db2.gz XYEJUVSQXCEDGP-MNOVXSKESA-N 1 1 210.277 1.384 20 5 BDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC=CCC2)c1 ZINC000778969361 585743174 /nfs/dbraw/zinc/74/31/74/585743174.db2.gz KLCBQWWHDGXLIM-ZDUSSCGKSA-N 1 1 248.282 1.890 20 5 BDBDMO C[N@H+](CC[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000787716871 585914385 /nfs/dbraw/zinc/91/43/85/585914385.db2.gz KCUGNMMCPKXCCC-GFCCVEGCSA-N 1 1 238.287 1.319 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000787716871 585914386 /nfs/dbraw/zinc/91/43/86/585914386.db2.gz KCUGNMMCPKXCCC-GFCCVEGCSA-N 1 1 238.287 1.319 20 5 BDBDMO CN(C)c1cccc(C[N@H+](C)CC[N+](=O)[O-])c1 ZINC000791054602 585973025 /nfs/dbraw/zinc/97/30/25/585973025.db2.gz LTGQOEZLJMRDAG-UHFFFAOYSA-N 1 1 237.303 1.461 20 5 BDBDMO CN(C)c1cccc(C[N@@H+](C)CC[N+](=O)[O-])c1 ZINC000791054602 585973026 /nfs/dbraw/zinc/97/30/26/585973026.db2.gz LTGQOEZLJMRDAG-UHFFFAOYSA-N 1 1 237.303 1.461 20 5 BDBDMO C[C@H]1c2cccn2CC[N@H+]1CC[N+](=O)[O-] ZINC000791053689 585973172 /nfs/dbraw/zinc/97/31/72/585973172.db2.gz LSMGKAHDRZUUIT-VIFPVBQESA-N 1 1 209.249 1.141 20 5 BDBDMO C[C@H]1c2cccn2CC[N@@H+]1CC[N+](=O)[O-] ZINC000791053689 585973173 /nfs/dbraw/zinc/97/31/73/585973173.db2.gz LSMGKAHDRZUUIT-VIFPVBQESA-N 1 1 209.249 1.141 20 5 BDBDMO CCSCC[C@@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000798197243 586140213 /nfs/dbraw/zinc/14/02/13/586140213.db2.gz PWWUGCQOFFRKNZ-SECBINFHSA-N 1 1 220.338 1.727 20 5 BDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000828987813 587477759 /nfs/dbraw/zinc/47/77/59/587477759.db2.gz LWGBFULVJHWFDZ-MFKMUULPSA-N 1 1 247.298 1.735 20 5 BDBDMO CC[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000119468520 589288623 /nfs/dbraw/zinc/28/86/23/589288623.db2.gz GWBXXIRCEKNWLH-VIFPVBQESA-N 1 1 224.264 1.481 20 5 BDBDMO CC[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000119468520 589288624 /nfs/dbraw/zinc/28/86/24/589288624.db2.gz GWBXXIRCEKNWLH-VIFPVBQESA-N 1 1 224.264 1.481 20 5 BDBDMO CC[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000119486117 589294498 /nfs/dbraw/zinc/29/44/98/589294498.db2.gz PVXIFBOHPYQFNR-VIFPVBQESA-N 1 1 224.264 1.481 20 5 BDBDMO CC[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000119486117 589294499 /nfs/dbraw/zinc/29/44/99/589294499.db2.gz PVXIFBOHPYQFNR-VIFPVBQESA-N 1 1 224.264 1.481 20 5 BDBDMO Cc1cc(C)c(Cn2ncc([N+](=O)[O-])n2)c(C)[nH+]1 ZINC000865372833 589427662 /nfs/dbraw/zinc/42/76/62/589427662.db2.gz XRQRJZMLEQVRLN-UHFFFAOYSA-N 1 1 247.258 1.555 20 5 BDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000121959912 589541934 /nfs/dbraw/zinc/54/19/34/589541934.db2.gz XJPJUDZBWDGRIE-UHFFFAOYSA-N 1 1 236.275 1.625 20 5 BDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000121959912 589541935 /nfs/dbraw/zinc/54/19/35/589541935.db2.gz XJPJUDZBWDGRIE-UHFFFAOYSA-N 1 1 236.275 1.625 20 5 BDBDMO Cc1noc(C[N@@H+]2CC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000880300004 590995169 /nfs/dbraw/zinc/99/51/69/590995169.db2.gz OALOQMZLGZDJAT-QMMMGPOBSA-N 1 1 243.238 1.683 20 5 BDBDMO Cc1noc(C[N@H+]2CC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000880300004 590995171 /nfs/dbraw/zinc/99/51/71/590995171.db2.gz OALOQMZLGZDJAT-QMMMGPOBSA-N 1 1 243.238 1.683 20 5 BDBDMO Cc1ccc(C[N@@H+]2CC=C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000880494708 591073314 /nfs/dbraw/zinc/07/33/14/591073314.db2.gz RGPPABFKBIVILW-GFCCVEGCSA-N 1 1 248.282 1.636 20 5 BDBDMO Cc1ccc(C[N@H+]2CC=C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000880494708 591073319 /nfs/dbraw/zinc/07/33/19/591073319.db2.gz RGPPABFKBIVILW-GFCCVEGCSA-N 1 1 248.282 1.636 20 5 BDBDMO CCc1[nH+]c(C)cn1Cc1cn(C)nc1[N+](=O)[O-] ZINC000882282312 591325883 /nfs/dbraw/zinc/32/58/83/591325883.db2.gz GJMSBFUGCNWCCM-UHFFFAOYSA-N 1 1 249.274 1.444 20 5 BDBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cn[nH]c1 ZINC000886131616 592159466 /nfs/dbraw/zinc/15/94/66/592159466.db2.gz CBIXZONGVPENMX-MRVPVSSYSA-N 1 1 247.258 1.564 20 5 BDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)CO ZINC000886216123 592178516 /nfs/dbraw/zinc/17/85/16/592178516.db2.gz XJKLFPCZGNASHA-SECBINFHSA-N 1 1 239.275 1.193 20 5 BDBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)CO ZINC000886216123 592178517 /nfs/dbraw/zinc/17/85/17/592178517.db2.gz XJKLFPCZGNASHA-SECBINFHSA-N 1 1 239.275 1.193 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348782 592214427 /nfs/dbraw/zinc/21/44/27/592214427.db2.gz SSUOSBFKRWCWLC-AOOOYVTPSA-N 1 1 236.275 1.051 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]1CO ZINC000934033128 631633027 /nfs/dbraw/zinc/63/30/27/631633027.db2.gz ZQCFQOJJPPOBSY-SKDRFNHKSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]1CO ZINC000934033128 631633033 /nfs/dbraw/zinc/63/30/33/631633033.db2.gz ZQCFQOJJPPOBSY-SKDRFNHKSA-N 1 1 236.271 1.722 20 5 BDBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])CCS1 ZINC000307679890 635951718 /nfs/dbraw/zinc/95/17/18/635951718.db2.gz NUPBVQNBNFZBAP-UHFFFAOYSA-N 1 1 204.295 1.091 20 5 BDBDMO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000089150559 636412443 /nfs/dbraw/zinc/41/24/43/636412443.db2.gz OEXQERQRWKFIIZ-WCQYABFASA-N 1 1 249.314 1.812 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000899886172 637147873 /nfs/dbraw/zinc/14/78/73/637147873.db2.gz RQKKNZBNMWHGFP-SNVBAGLBSA-N 1 1 210.277 1.528 20 5 BDBDMO CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1CC[N+](=O)[O-] ZINC000899886996 637148015 /nfs/dbraw/zinc/14/80/15/637148015.db2.gz MPLHWEZBFRMOMK-GHMZBOCLSA-N 1 1 214.309 1.876 20 5 BDBDMO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC[N+](=O)[O-])o1 ZINC000905056415 637589136 /nfs/dbraw/zinc/58/91/36/637589136.db2.gz ZHGBSWVRLBADGA-WCBMZHEXSA-N 1 1 224.260 1.769 20 5 BDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCC[N+](=O)[O-] ZINC000905066040 637598330 /nfs/dbraw/zinc/59/83/30/637598330.db2.gz AURMHVZRZILNOU-TUAOUCFPSA-N 1 1 243.351 1.219 20 5 BDBDMO COc1cc(C)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905157849 637638035 /nfs/dbraw/zinc/63/80/35/637638035.db2.gz DLHVEYKOXJDLOC-UHFFFAOYSA-N 1 1 224.260 1.370 20 5 BDBDMO O=[N+]([O-])CCNC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000905387539 637787111 /nfs/dbraw/zinc/78/71/11/637787111.db2.gz AOIBOFAIBBLYTH-GFCCVEGCSA-N 1 1 241.335 1.260 20 5 BDBDMO O=[N+]([O-])CC[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000905387539 637787117 /nfs/dbraw/zinc/78/71/17/637787117.db2.gz AOIBOFAIBBLYTH-GFCCVEGCSA-N 1 1 241.335 1.260 20 5 BDBDMO O=[N+]([O-])CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000930374641 639735865 /nfs/dbraw/zinc/73/58/65/639735865.db2.gz XFJZCOYPWVDURK-UHFFFAOYSA-N 1 1 240.225 1.928 20 5 BDBDMO CC1(C)C[N@H+](CC[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000930507025 639789493 /nfs/dbraw/zinc/78/94/93/639789493.db2.gz BKQQYRLCCBITNV-UWVGGRQHSA-N 1 1 228.292 1.153 20 5 BDBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000930507025 639789499 /nfs/dbraw/zinc/78/94/99/639789499.db2.gz BKQQYRLCCBITNV-UWVGGRQHSA-N 1 1 228.292 1.153 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000930861761 639954582 /nfs/dbraw/zinc/95/45/82/639954582.db2.gz DPHZDUPTMWBLEH-QMMMGPOBSA-N 1 1 220.219 1.384 20 5 BDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1cc2cnccc2o1 ZINC000931566465 640274754 /nfs/dbraw/zinc/27/47/54/640274754.db2.gz XLHBVYVPSXPUTI-QMMMGPOBSA-N 1 1 235.243 1.755 20 5 BDBDMO C[C@]1(C(F)(F)F)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931609762 640286804 /nfs/dbraw/zinc/28/68/04/640286804.db2.gz GTGYEJICXJVDKY-ZETCQYMHSA-N 1 1 226.198 1.537 20 5 BDBDMO C[C@]1(C(F)(F)F)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931609762 640286810 /nfs/dbraw/zinc/28/68/10/640286810.db2.gz GTGYEJICXJVDKY-ZETCQYMHSA-N 1 1 226.198 1.537 20 5 BDBDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000932168485 640447798 /nfs/dbraw/zinc/44/77/98/640447798.db2.gz BKZUSCOPZCPWPQ-SNVBAGLBSA-N 1 1 230.308 1.543 20 5 BDBDMO C[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173527027 641182347 /nfs/dbraw/zinc/18/23/47/641182347.db2.gz QEKBQVZMNZEPRX-MRVPVSSYSA-N 1 1 210.237 1.233 20 5 BDBDMO C[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173527027 641182349 /nfs/dbraw/zinc/18/23/49/641182349.db2.gz QEKBQVZMNZEPRX-MRVPVSSYSA-N 1 1 210.237 1.233 20 5 BDBDMO C[N@@H+]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000042546038 641553174 /nfs/dbraw/zinc/55/31/74/641553174.db2.gz BZBBMCWKPFASHM-SECBINFHSA-N 1 1 241.316 1.450 20 5 BDBDMO C[N@H+]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000042546038 641553179 /nfs/dbraw/zinc/55/31/79/641553179.db2.gz BZBBMCWKPFASHM-SECBINFHSA-N 1 1 241.316 1.450 20 5 BDBDMO C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000159945490 641706875 /nfs/dbraw/zinc/70/68/75/641706875.db2.gz SSEJGHJYYUKWSP-UWVGGRQHSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000159945490 641706879 /nfs/dbraw/zinc/70/68/79/641706879.db2.gz SSEJGHJYYUKWSP-UWVGGRQHSA-N 1 1 238.291 1.727 20 5 BDBDMO Cc1[nH]c(Cn2cc([N+](=O)[O-])ccc2=O)c(C)[nH+]1 ZINC000915567044 641838587 /nfs/dbraw/zinc/83/85/87/641838587.db2.gz HJBLQJRMCBJGLM-UHFFFAOYSA-N 1 1 248.242 1.145 20 5 BDBDMO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000174953646 642642329 /nfs/dbraw/zinc/64/23/29/642642329.db2.gz UVMITGGWDFTKHP-DTWKUNHWSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000174953646 642642335 /nfs/dbraw/zinc/64/23/35/642642335.db2.gz UVMITGGWDFTKHP-DTWKUNHWSA-N 1 1 224.264 1.479 20 5 BDBDMO [NH3+][C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093214531 644681075 /nfs/dbraw/zinc/68/10/75/644681075.db2.gz BXFFISOIOKGPSW-NEPJUHHUSA-N 1 1 249.314 1.954 20 5 BDBDMO [NH3+][C@H]1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000093215715 644682546 /nfs/dbraw/zinc/68/25/46/644682546.db2.gz DPPXWOVBOWINBR-RYUDHWBXSA-N 1 1 249.314 1.954 20 5 BDBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC000929274025 646051926 /nfs/dbraw/zinc/05/19/26/646051926.db2.gz PQDOWASVIDJYDK-NXEZZACHSA-N 1 1 200.282 1.774 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000929532599 646178338 /nfs/dbraw/zinc/17/83/38/646178338.db2.gz WBLPSLQUSGIKQK-NSHDSACASA-N 1 1 238.262 1.892 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000929532599 646178342 /nfs/dbraw/zinc/17/83/42/646178342.db2.gz WBLPSLQUSGIKQK-NSHDSACASA-N 1 1 238.262 1.892 20 5 BDBDMO O=[N+]([O-])CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000929691182 646246483 /nfs/dbraw/zinc/24/64/83/646246483.db2.gz ZOODDNFUAPWKFE-UHFFFAOYSA-N 1 1 241.335 1.213 20 5 BDBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000929758203 646291937 /nfs/dbraw/zinc/29/19/37/646291937.db2.gz XPHCEIRBPYKZPS-KOLCDFICSA-N 1 1 230.308 1.399 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000930180841 646483014 /nfs/dbraw/zinc/48/30/14/646483014.db2.gz XWQDZKAAZSFACC-NEPJUHHUSA-N 1 1 242.319 1.402 20 5 BDBDMO Cc1ccccc1CC1C[NH+](CC[N+](=O)[O-])C1 ZINC000899881180 711803728 /nfs/dbraw/zinc/80/37/28/711803728.db2.gz GKVPJVUVJWULCK-UHFFFAOYSA-N 1 1 234.299 1.746 20 5 BDBDMO C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007089 969328367 /nfs/dbraw/zinc/32/83/67/969328367.db2.gz KVHUJMKCZUWWNC-DBIOUOCHSA-N 1 1 230.283 1.864 20 5 BDBDMO CO[C@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169006414 969330413 /nfs/dbraw/zinc/33/04/13/969330413.db2.gz HZWFFJUTNIFJHC-VLEAKVRGSA-N 1 1 246.282 1.101 20 5 BDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169009706 969332482 /nfs/dbraw/zinc/33/24/82/969332482.db2.gz XJKOXJIOCXLYCM-GRYCIOLGSA-N 1 1 242.319 1.543 20 5 BDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H]1O ZINC001169010114 969334546 /nfs/dbraw/zinc/33/45/46/969334546.db2.gz BEQPPWFMCZBFFL-KXNHARMFSA-N 1 1 242.319 1.135 20 5 BDBDMO C[C@@H](C[NH+](C)C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490150 974529304 /nfs/dbraw/zinc/52/93/04/974529304.db2.gz GEZUJNSAALAZAG-QMMMGPOBSA-N 1 1 240.259 1.629 20 5 BDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2CC[C@H]2C1 ZINC001158426328 963869329 /nfs/dbraw/zinc/86/93/29/963869329.db2.gz YEJNDHRNXPIMLP-JTQLQIEISA-N 1 1 248.286 1.193 20 5 BDBDMO Cc1cc(O[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228832848 963896093 /nfs/dbraw/zinc/89/60/93/963896093.db2.gz FDZHQMOJOKFEGP-NSHDSACASA-N 1 1 236.271 1.986 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2Cc3cccnc3C2)C1 ZINC001169007726 969332555 /nfs/dbraw/zinc/33/25/55/969332555.db2.gz PUSXYNLPTYRKHN-ZYHUDNBSSA-N 1 1 247.298 1.843 20 5 BDBDMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169009708 969334376 /nfs/dbraw/zinc/33/43/76/969334376.db2.gz XJKOXJIOCXLYCM-UTUOFQBUSA-N 1 1 242.319 1.543 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC3(CC3)C2)C1 ZINC001169011887 969336960 /nfs/dbraw/zinc/33/69/60/969336960.db2.gz NFOAJOPRVCXBRJ-GHMZBOCLSA-N 1 1 224.304 1.918 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1O ZINC001169010663 969340081 /nfs/dbraw/zinc/34/00/81/969340081.db2.gz FHRLDSCGKXICSB-WYUUTHIRSA-N 1 1 242.319 1.135 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001169013387 969342110 /nfs/dbraw/zinc/34/21/10/969342110.db2.gz UPSPHZDADJYJNX-NAKRPEOUSA-N 1 1 248.273 1.814 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001169013387 969342116 /nfs/dbraw/zinc/34/21/16/969342116.db2.gz UPSPHZDADJYJNX-NAKRPEOUSA-N 1 1 248.273 1.814 20 5 BDBDMO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1(C)COC1 ZINC001169034577 969353365 /nfs/dbraw/zinc/35/33/65/969353365.db2.gz HZVYFBVNUDMDEH-NXEZZACHSA-N 1 1 228.292 1.153 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCn3cccc3C2)C1 ZINC001169024347 969364008 /nfs/dbraw/zinc/36/40/08/969364008.db2.gz GMXMGZHUYHMCJO-NWDGAFQWSA-N 1 1 249.314 1.749 20 5 BDBDMO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001169057476 969371258 /nfs/dbraw/zinc/37/12/58/969371258.db2.gz VVYCKIJGPQZIQC-AXFHLTTASA-N 1 1 228.292 1.153 20 5 BDBDMO CC(C)(C[NH3+])N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572191 969739230 /nfs/dbraw/zinc/73/92/30/969739230.db2.gz JLFBOMHGXMQESE-LLVKDONJSA-N 1 1 249.314 1.389 20 5 BDBDMO NCC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254590689 969746018 /nfs/dbraw/zinc/74/60/18/969746018.db2.gz YSQPHQITPFONHP-LLVKDONJSA-N 1 1 247.298 1.143 20 5 BDBDMO C[NH2+][C@H]1CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156657423 969967206 /nfs/dbraw/zinc/96/72/06/969967206.db2.gz BLFOKMTUHRNGIO-SECBINFHSA-N 1 1 247.258 1.227 20 5 BDBDMO C[NH2+][C@@H]1CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156657424 969968127 /nfs/dbraw/zinc/96/81/27/969968127.db2.gz BLFOKMTUHRNGIO-VIFPVBQESA-N 1 1 247.258 1.227 20 5 BDBDMO C[C@H](C[NH+](C)C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490147 974528674 /nfs/dbraw/zinc/52/86/74/974528674.db2.gz GEZUJNSAALAZAG-MRVPVSSYSA-N 1 1 240.259 1.629 20 5 BDBDMO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2ncccc12 ZINC001226306177 974851404 /nfs/dbraw/zinc/85/14/04/974851404.db2.gz QHQDOGJVZFWCSU-SECBINFHSA-N 1 1 235.311 1.431 20 5 BDBDMO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@H+](C)C1 ZINC001226996414 975211632 /nfs/dbraw/zinc/21/16/32/975211632.db2.gz RIGAXKQVJUGDON-NSHDSACASA-N 1 1 236.271 1.986 20 5 BDBDMO CC1(C)CC[N@@H+](CC[N+](=O)[O-])CCS1 ZINC001333044340 975386150 /nfs/dbraw/zinc/38/61/50/975386150.db2.gz HQYOTYIBNPXPLL-UHFFFAOYSA-N 1 1 218.322 1.481 20 5 BDBDMO CC[N@H+]1CC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988088 975834933 /nfs/dbraw/zinc/83/49/33/975834933.db2.gz NQEAPIKQZPVFJN-JTQLQIEISA-N 1 1 237.259 1.463 20 5 BDBDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC[N+](=O)[O-])C1 ZINC001334069142 976267666 /nfs/dbraw/zinc/26/76/66/976267666.db2.gz DXNDBVGWYALMLY-JQWIXIFHSA-N 1 1 235.287 1.741 20 5 BDBDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC[N+](=O)[O-])C1 ZINC001334069142 976267682 /nfs/dbraw/zinc/26/76/82/976267682.db2.gz DXNDBVGWYALMLY-JQWIXIFHSA-N 1 1 235.287 1.741 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001334604945 976566626 /nfs/dbraw/zinc/56/66/26/976566626.db2.gz WBRUHXNWCWMOAK-CYBMUJFWSA-N 1 1 234.299 1.828 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C)C1 ZINC001228915639 976581627 /nfs/dbraw/zinc/58/16/27/976581627.db2.gz IIMKJWHRCZZKEX-LLVKDONJSA-N 1 1 236.271 1.986 20 5 BDBDMO CC1(C)C[NH+](CC[N+](=O)[O-])CC(C)(C)O1 ZINC001335907573 977359107 /nfs/dbraw/zinc/35/91/07/977359107.db2.gz SNLUFFPMEDXVEA-UHFFFAOYSA-N 1 1 216.281 1.153 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001176927328 978249742 /nfs/dbraw/zinc/24/97/42/978249742.db2.gz QWCJKAUPVIVDBR-QWRGUYRKSA-N 1 1 228.292 1.297 20 5 BDBDMO CCC[C@]1(COC)CCC[N@H+]1CC[N+](=O)[O-] ZINC001351413609 982317415 /nfs/dbraw/zinc/31/74/15/982317415.db2.gz HZJBSDWNSJLSPN-LLVKDONJSA-N 1 1 230.308 1.544 20 5 BDBDMO C[N@@H+](CCNCC[N+](=O)[O-])C1CCCCC1 ZINC001353272649 982814064 /nfs/dbraw/zinc/81/40/64/982814064.db2.gz KFHQUUKMUXQLSE-UHFFFAOYSA-N 1 1 229.324 1.117 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC=C(c2ccco2)C1 ZINC000930442359 984954781 /nfs/dbraw/zinc/95/47/81/984954781.db2.gz MTSDYHZHACDSTR-UHFFFAOYSA-N 1 1 222.244 1.645 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000930442359 984954760 /nfs/dbraw/zinc/95/47/60/984954760.db2.gz MTSDYHZHACDSTR-UHFFFAOYSA-N 1 1 222.244 1.645 20 5 BDBDMO CC[C@H]([NH3+])CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246319924 987725201 /nfs/dbraw/zinc/72/52/01/987725201.db2.gz XALLXQSAEHWLTK-NWDGAFQWSA-N 1 1 249.314 1.389 20 5 BDBDMO CC[C@H](N)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246319924 987725207 /nfs/dbraw/zinc/72/52/07/987725207.db2.gz XALLXQSAEHWLTK-NWDGAFQWSA-N 1 1 249.314 1.389 20 5 BDBDMO Cc1c[nH]c(Nc2c([N+](=O)[O-])c(C)nn2C)[nH+]1 ZINC001322727350 988372796 /nfs/dbraw/zinc/37/27/96/988372796.db2.gz KSZDPUJNGUCQKJ-UHFFFAOYSA-N 1 1 236.235 1.412 20 5 BDBDMO CC[C@H](N)C[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246972689 988801471 /nfs/dbraw/zinc/80/14/71/988801471.db2.gz DUZDAPGGGPYKOA-VWYCJHECSA-N 1 1 229.324 1.101 20 5 BDBDMO CC[C@H]([NH3+])CN(C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246972689 988801472 /nfs/dbraw/zinc/80/14/72/988801472.db2.gz DUZDAPGGGPYKOA-VWYCJHECSA-N 1 1 229.324 1.101 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000610762461 344151620 /nfs/dbraw/zinc/15/16/20/344151620.db2.gz GLKRWAYKZXWIPK-ONGXEEELSA-N 1 1 236.275 1.276 20 5 BDBDMO C[N@H+]1CCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000221254900 344711907 /nfs/dbraw/zinc/71/19/07/344711907.db2.gz DPWMMDGQVPCLOY-VIFPVBQESA-N 1 1 236.275 1.496 20 5 BDBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000145884873 345945186 /nfs/dbraw/zinc/94/51/86/345945186.db2.gz YNWGNARPAAFMFW-LBPRGKRZSA-N 1 1 236.271 1.816 20 5 BDBDMO C[C@H](CCO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000593109110 347860702 /nfs/dbraw/zinc/86/07/02/347860702.db2.gz IEIJSDMQVABVEZ-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO C[C@H](CCO)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000593110279 347861205 /nfs/dbraw/zinc/86/12/05/347861205.db2.gz TVSBSTCANGYMGI-MRVPVSSYSA-N 1 1 244.316 1.859 20 5 BDBDMO C[C@H](CCO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000593110279 347861207 /nfs/dbraw/zinc/86/12/07/347861207.db2.gz TVSBSTCANGYMGI-MRVPVSSYSA-N 1 1 244.316 1.859 20 5 BDBDMO O=[N+]([O-])c1ccc(C[NH2+]C/C=C/CO)c(F)c1 ZINC000594975413 348162409 /nfs/dbraw/zinc/16/24/09/348162409.db2.gz SUMHVPNJRAJJML-OWOJBTEDSA-N 1 1 240.234 1.372 20 5 BDBDMO Cc1cn(CCc2c[nH+]cn2C)nc1[N+](=O)[O-] ZINC000596277242 348494482 /nfs/dbraw/zinc/49/44/82/348494482.db2.gz DYYUVSYHNHURMB-UHFFFAOYSA-N 1 1 235.247 1.076 20 5 BDBDMO Cc1[nH+]ccn1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037340643 180234271 /nfs/dbraw/zinc/23/42/71/180234271.db2.gz DFNJXHOEIMSQAM-UHFFFAOYSA-N 1 1 245.238 1.983 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1 ZINC000421021276 192307023 /nfs/dbraw/zinc/30/70/23/192307023.db2.gz OJKRIFHMTJSVOF-ZDUSSCGKSA-N 1 1 248.282 1.960 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1 ZINC000421021276 192307024 /nfs/dbraw/zinc/30/70/24/192307024.db2.gz OJKRIFHMTJSVOF-ZDUSSCGKSA-N 1 1 248.282 1.960 20 5 BDBDMO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000089150479 357027276 /nfs/dbraw/zinc/02/72/76/357027276.db2.gz FTDSNRCVHUJMBJ-CMPLNLGQSA-N 1 1 249.314 1.812 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(N)=O)CC1 ZINC000191489298 357774328 /nfs/dbraw/zinc/77/43/28/357774328.db2.gz ZRVWZOMPTMLUFG-UHFFFAOYSA-N 1 1 249.270 1.011 20 5 BDBDMO C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602427767 371803506 /nfs/dbraw/zinc/80/35/06/371803506.db2.gz APSOCBOQSGCHQU-SECBINFHSA-N 1 1 238.291 1.560 20 5 BDBDMO Cn1cc(C[N@@H+](C)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000602446789 371804850 /nfs/dbraw/zinc/80/48/50/371804850.db2.gz BBKASHSLFFVQCB-UHFFFAOYSA-N 1 1 240.307 1.806 20 5 BDBDMO C[C@@]1(O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000178015840 384194748 /nfs/dbraw/zinc/19/47/48/384194748.db2.gz RSSCOLPPUFMHMZ-GFCCVEGCSA-N 1 1 236.271 1.552 20 5 BDBDMO CC[N@@H+](CCCO)Cc1ccccc1[N+](=O)[O-] ZINC000045914563 384414558 /nfs/dbraw/zinc/41/45/58/384414558.db2.gz HVZJIMKYEWJYCV-UHFFFAOYSA-N 1 1 238.287 1.799 20 5 BDBDMO CC[N@@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000049937547 384578072 /nfs/dbraw/zinc/57/80/72/384578072.db2.gz IDTDJKNTHLAAHU-UHFFFAOYSA-N 1 1 223.276 1.958 20 5 BDBDMO Cc1nn(Cc2cc[nH+]c(N)c2)c(C)c1[N+](=O)[O-] ZINC000052733125 384745473 /nfs/dbraw/zinc/74/54/73/384745473.db2.gz JODZMRAQSYWJSV-UHFFFAOYSA-N 1 1 247.258 1.434 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000051887085 386561284 /nfs/dbraw/zinc/56/12/84/386561284.db2.gz LTSLBQXPDWBBQV-LLVKDONJSA-N 1 1 236.271 1.409 20 5 BDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000266901234 386623017 /nfs/dbraw/zinc/62/30/17/386623017.db2.gz IHWQFMCAYBAPKU-UHFFFAOYSA-N 1 1 240.307 1.769 20 5 BDBDMO COC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000293733995 386657389 /nfs/dbraw/zinc/65/73/89/386657389.db2.gz ZNMYNIJENAEWEK-LBPRGKRZSA-N 1 1 236.271 1.816 20 5 BDBDMO COC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000293733995 386657396 /nfs/dbraw/zinc/65/73/96/386657396.db2.gz ZNMYNIJENAEWEK-LBPRGKRZSA-N 1 1 236.271 1.816 20 5 BDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000590661434 388128477 /nfs/dbraw/zinc/12/84/77/388128477.db2.gz MZYUUENDDGGTCN-BXKDBHETSA-N 1 1 236.271 1.550 20 5 BDBDMO Cc1ccc(NCC(F)(F)C[NH3+])c([N+](=O)[O-])c1 ZINC000162667640 388355570 /nfs/dbraw/zinc/35/55/70/388355570.db2.gz YLBYMKKXCFXSQD-UHFFFAOYSA-N 1 1 245.229 1.909 20 5 BDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000353025890 388366507 /nfs/dbraw/zinc/36/65/07/388366507.db2.gz JIHGNAXQEJBRMG-UHFFFAOYSA-N 1 1 236.271 1.552 20 5 BDBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000246289567 388442447 /nfs/dbraw/zinc/44/24/47/388442447.db2.gz AHDFZKVXOGPBML-ZJUUUORDSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@H](C[NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423296983 388690755 /nfs/dbraw/zinc/69/07/55/388690755.db2.gz IESAXUWPCYVFTE-NXEZZACHSA-N 1 1 237.303 1.840 20 5 BDBDMO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423296984 388691138 /nfs/dbraw/zinc/69/11/38/388691138.db2.gz IESAXUWPCYVFTE-UWVGGRQHSA-N 1 1 237.303 1.840 20 5 BDBDMO CC[N@@H+](C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000070496305 388730484 /nfs/dbraw/zinc/73/04/84/388730484.db2.gz DSBKQHZBXJURQJ-UHFFFAOYSA-N 1 1 238.291 1.662 20 5 BDBDMO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000330640741 388760051 /nfs/dbraw/zinc/76/00/51/388760051.db2.gz HYSUUWBOBOJJPT-SCZZXKLOSA-N 1 1 249.270 1.134 20 5 BDBDMO C[N@H+]1CCCC[C@@H]1CCn1cnc([N+](=O)[O-])c1 ZINC000283793066 173005155 /nfs/dbraw/zinc/00/51/55/173005155.db2.gz GAGXRUKYXVFLFN-SNVBAGLBSA-N 1 1 238.291 1.666 20 5 BDBDMO C[N@H+]1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000037647725 173116691 /nfs/dbraw/zinc/11/66/91/173116691.db2.gz ROGIRVSPWKTEPS-VIFPVBQESA-N 1 1 236.275 1.353 20 5 BDBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000037647768 173146482 /nfs/dbraw/zinc/14/64/82/173146482.db2.gz ZWALXXLLWDCECF-SECBINFHSA-N 1 1 236.275 1.353 20 5 BDBDMO C[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000042375198 173156677 /nfs/dbraw/zinc/15/66/77/173156677.db2.gz QODMPSNCFDSKJO-QMMMGPOBSA-N 1 1 222.248 1.106 20 5 BDBDMO COCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774484 174280954 /nfs/dbraw/zinc/28/09/54/174280954.db2.gz JLWLUQPXNNSYAQ-UHFFFAOYSA-N 1 1 242.250 1.812 20 5 BDBDMO C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189277 176099083 /nfs/dbraw/zinc/09/90/83/176099083.db2.gz UQKMZKCCQUJFPL-SNVBAGLBSA-N 1 1 238.291 1.523 20 5 BDBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353603118 176267514 /nfs/dbraw/zinc/26/75/14/176267514.db2.gz FVQJOGPLCPHRER-LLVKDONJSA-N 1 1 249.314 1.731 20 5 BDBDMO C[C@H]1C[N@H+](C)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014213 177236097 /nfs/dbraw/zinc/23/60/97/177236097.db2.gz KFIQJDUNZNBFRE-GWCFXTLKSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014213 177236100 /nfs/dbraw/zinc/23/61/00/177236100.db2.gz KFIQJDUNZNBFRE-GWCFXTLKSA-N 1 1 249.314 1.635 20 5 BDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ccccc2[N+](=O)[O-])C1 ZINC000893941706 583254699 /nfs/dbraw/zinc/25/46/99/583254699.db2.gz VORIBYADGCBUAV-GWCFXTLKSA-N 1 1 247.298 1.735 20 5 BDBDMO O=[N+]([O-])c1ncccc1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894996153 583566771 /nfs/dbraw/zinc/56/67/71/583566771.db2.gz UGNSWHBDZPLIAM-QMMMGPOBSA-N 1 1 245.242 1.223 20 5 BDBDMO C[NH+](C)[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899859471 584242497 /nfs/dbraw/zinc/24/24/97/584242497.db2.gz KFSQKCWOWRUYMC-LBPRGKRZSA-N 1 1 237.303 1.156 20 5 BDBDMO O=[N+]([O-])CCN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000899859382 584242779 /nfs/dbraw/zinc/24/27/79/584242779.db2.gz JDCVBYBEDYSJBH-ZDUSSCGKSA-N 1 1 249.314 1.127 20 5 BDBDMO O=[N+]([O-])CCN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000899859382 584242781 /nfs/dbraw/zinc/24/27/81/584242781.db2.gz JDCVBYBEDYSJBH-ZDUSSCGKSA-N 1 1 249.314 1.127 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1OC(F)F ZINC000899864704 584244778 /nfs/dbraw/zinc/24/47/78/584244778.db2.gz LWOMECBJRDIHOS-UHFFFAOYSA-N 1 1 246.213 1.654 20 5 BDBDMO COc1ccc(Cl)cc1C[NH2+]CC[N+](=O)[O-] ZINC000899870128 584244879 /nfs/dbraw/zinc/24/48/79/584244879.db2.gz FCJHSHYVAHSQQK-UHFFFAOYSA-N 1 1 244.678 1.715 20 5 BDBDMO CC[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000119485957 589294839 /nfs/dbraw/zinc/29/48/39/589294839.db2.gz PVXIFBOHPYQFNR-SECBINFHSA-N 1 1 224.264 1.481 20 5 BDBDMO CC[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000119485957 589294840 /nfs/dbraw/zinc/29/48/40/589294840.db2.gz PVXIFBOHPYQFNR-SECBINFHSA-N 1 1 224.264 1.481 20 5 BDBDMO C[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886027979 592135874 /nfs/dbraw/zinc/13/58/74/592135874.db2.gz KVBZXNSIYOXPBM-VIFPVBQESA-N 1 1 221.260 1.974 20 5 BDBDMO Cc1c(C[N@@H+]2CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000934028506 631626268 /nfs/dbraw/zinc/62/62/68/631626268.db2.gz YLMAMLZFSDRGJE-NSHDSACASA-N 1 1 236.271 1.470 20 5 BDBDMO Cc1c(C[N@H+]2CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000934028506 631626277 /nfs/dbraw/zinc/62/62/77/631626277.db2.gz YLMAMLZFSDRGJE-NSHDSACASA-N 1 1 236.271 1.470 20 5 BDBDMO C[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000123093338 634198684 /nfs/dbraw/zinc/19/86/84/634198684.db2.gz SUNVTBDMNMPKJW-VIFPVBQESA-N 1 1 224.264 1.481 20 5 BDBDMO C[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000123093338 634198687 /nfs/dbraw/zinc/19/86/87/634198687.db2.gz SUNVTBDMNMPKJW-VIFPVBQESA-N 1 1 224.264 1.481 20 5 BDBDMO C[C@H]1SCC[N@@H+](CC[N+](=O)[O-])[C@H]1C ZINC000306333061 636818707 /nfs/dbraw/zinc/81/87/07/636818707.db2.gz DSOPXRXUMFGEIN-JGVFFNPUSA-N 1 1 204.295 1.089 20 5 BDBDMO C[NH+](C)Cc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905035733 637557226 /nfs/dbraw/zinc/55/72/26/637557226.db2.gz PSHILZWYZWWOOJ-UHFFFAOYSA-N 1 1 237.303 1.115 20 5 BDBDMO CC(C)(C)c1ccc(C[NH2+]CC[N+](=O)[O-])o1 ZINC000905409599 637798408 /nfs/dbraw/zinc/79/84/08/637798408.db2.gz PZXQHYDFIXVGSO-UHFFFAOYSA-N 1 1 226.276 1.943 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1nccc2c1CCCC2 ZINC000905514960 637833383 /nfs/dbraw/zinc/83/33/83/637833383.db2.gz AMVAHUQEHBQUBO-UHFFFAOYSA-N 1 1 235.287 1.327 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000930813615 639916744 /nfs/dbraw/zinc/91/67/44/639916744.db2.gz AQVUHWIJWKLAOJ-NSHDSACASA-N 1 1 221.260 1.148 20 5 BDBDMO CC(C)O[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930850837 639944212 /nfs/dbraw/zinc/94/42/12/639944212.db2.gz WOSRYXROGILKOR-SNVBAGLBSA-N 1 1 216.281 1.153 20 5 BDBDMO C/C=C/C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931339152 640164355 /nfs/dbraw/zinc/16/43/55/640164355.db2.gz VXLGDTCQLAPIHV-KXMPLOMGSA-N 1 1 212.293 1.941 20 5 BDBDMO C[C@H]1CCC[C@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000929706255 641410173 /nfs/dbraw/zinc/41/01/73/641410173.db2.gz ZYJGZNVVWUZCKO-UWVGGRQHSA-N 1 1 200.282 1.774 20 5 BDBDMO Cc1[nH]c(C)c(Cn2cnc([N+](=O)[O-])c2)[nH+]1 ZINC000916557940 641946896 /nfs/dbraw/zinc/94/68/96/641946896.db2.gz CXTWGDBVSCTSNH-UHFFFAOYSA-N 1 1 221.220 1.180 20 5 BDBDMO Cc1[nH]c(Cn2cnc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000916557940 641946898 /nfs/dbraw/zinc/94/68/98/641946898.db2.gz CXTWGDBVSCTSNH-UHFFFAOYSA-N 1 1 221.220 1.180 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000929617824 646199748 /nfs/dbraw/zinc/19/97/48/646199748.db2.gz KXTFIRJEZMFWHS-SECBINFHSA-N 1 1 210.233 1.346 20 5 BDBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC000929749391 646280829 /nfs/dbraw/zinc/28/08/29/646280829.db2.gz KNQFJTJPOICINE-ZJUUUORDSA-N 1 1 232.349 1.869 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000930180844 646482022 /nfs/dbraw/zinc/48/20/22/646482022.db2.gz XWQDZKAAZSFACC-RYUDHWBXSA-N 1 1 242.319 1.402 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593774 712435650 /nfs/dbraw/zinc/43/56/50/712435650.db2.gz ILLIOGFLRRPZDH-MRVPVSSYSA-N 1 1 222.248 1.106 20 5 BDBDMO C[N@H+](CCOc1ccc(F)cc1)CC[N+](=O)[O-] ZINC000791054348 712422228 /nfs/dbraw/zinc/42/22/28/712422228.db2.gz UAJNRPFYXJPGLC-UHFFFAOYSA-N 1 1 242.250 1.413 20 5 BDBDMO C[N@@H+](CCOc1ccc(F)cc1)CC[N+](=O)[O-] ZINC000791054348 712422230 /nfs/dbraw/zinc/42/22/30/712422230.db2.gz UAJNRPFYXJPGLC-UHFFFAOYSA-N 1 1 242.250 1.413 20 5 BDBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000719575545 712811721 /nfs/dbraw/zinc/81/17/21/712811721.db2.gz PSFAYFBVOYILHU-WCBMZHEXSA-N 1 1 236.275 1.494 20 5 BDBDMO C[N@@H+](CC1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005738 969331357 /nfs/dbraw/zinc/33/13/57/969331357.db2.gz CNCXFLBGNAVSSJ-MNOVXSKESA-N 1 1 212.293 1.774 20 5 BDBDMO CC[N@@H+](C1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005748 969331691 /nfs/dbraw/zinc/33/16/91/969331691.db2.gz CRFXQDVSBLBLRC-GXSJLCMTSA-N 1 1 212.293 1.916 20 5 BDBDMO C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009661 969334196 /nfs/dbraw/zinc/33/41/96/969334196.db2.gz WYDXQVJMPCPZEN-MXWKQRLJSA-N 1 1 212.293 1.916 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H]2C3)C1 ZINC001169036135 969356517 /nfs/dbraw/zinc/35/65/17/969356517.db2.gz NDNCZZGPHCOAGN-YFKTTZPYSA-N 1 1 224.304 1.916 20 5 BDBDMO O=[N+]([O-])c1ccc(O)cc1O[C@H]1CC[NH2+]C1 ZINC001218178130 971611781 /nfs/dbraw/zinc/61/17/81/971611781.db2.gz WACLUWYICGOHMV-QMMMGPOBSA-N 1 1 224.216 1.041 20 5 BDBDMO Cc1cccc(N[C@@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170899399 972060856 /nfs/dbraw/zinc/06/08/56/972060856.db2.gz JURVWCLMGZIOTR-SNVBAGLBSA-N 1 1 238.291 1.339 20 5 BDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)C2)n1 ZINC000162607286 966841761 /nfs/dbraw/zinc/84/17/61/966841761.db2.gz NVUMPTVJBXVWME-VIFPVBQESA-N 1 1 236.275 1.414 20 5 BDBDMO CC[N@@H+](CCOC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010156 969338168 /nfs/dbraw/zinc/33/81/68/969338168.db2.gz YXWJKJCXHQOGRC-QWRGUYRKSA-N 1 1 230.308 1.400 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC3(CC3)C2)C1 ZINC001169011888 969339594 /nfs/dbraw/zinc/33/95/94/969339594.db2.gz NFOAJOPRVCXBRJ-MNOVXSKESA-N 1 1 224.304 1.918 20 5 BDBDMO C[C@@H]1CC(=O)CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169014409 969340929 /nfs/dbraw/zinc/34/09/29/969340929.db2.gz ZKNAVUONWRUHHP-VWYCJHECSA-N 1 1 240.303 1.485 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001169037079 969355980 /nfs/dbraw/zinc/35/59/80/969355980.db2.gz IRGZCARUSWZWQU-NNYUYHANSA-N 1 1 240.303 1.153 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)C1 ZINC001169036798 969356584 /nfs/dbraw/zinc/35/65/84/969356584.db2.gz HKQIFNYKXXSNHR-OOCWMUITSA-N 1 1 242.294 1.579 20 5 BDBDMO CC1(C)COCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037700 969358726 /nfs/dbraw/zinc/35/87/26/969358726.db2.gz SXMMAXQIQCWPLK-GHMZBOCLSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@@H+](CCF)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056955 969370826 /nfs/dbraw/zinc/37/08/26/969370826.db2.gz UJICLEBUUMMSCY-DTWKUNHWSA-N 1 1 204.245 1.333 20 5 BDBDMO C[N@H+]1CCC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857998 978715728 /nfs/dbraw/zinc/71/57/28/978715728.db2.gz QPEKAZWJMCTYDP-JTQLQIEISA-N 1 1 237.259 1.463 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@H]1CCOC1)C2 ZINC001459596545 985548696 /nfs/dbraw/zinc/54/86/96/985548696.db2.gz OAFLSMASCMQSDA-LBPRGKRZSA-N 1 1 234.255 1.699 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@H]1CCOC1)C2 ZINC001459596545 985548728 /nfs/dbraw/zinc/54/87/28/985548728.db2.gz OAFLSMASCMQSDA-LBPRGKRZSA-N 1 1 234.255 1.699 20 5 BDBDMO C[NH+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001117260480 987814430 /nfs/dbraw/zinc/81/44/30/987814430.db2.gz LSXKUEAQPTZSPB-UHFFFAOYSA-N 1 1 249.230 1.101 20 5 BDBDMO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001576168419 993200628 /nfs/dbraw/zinc/20/06/28/993200628.db2.gz LEBDRYQNUSWATP-WHGOUJPWSA-N 1 1 249.270 1.310 20 5 BDBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602439568 349526617 /nfs/dbraw/zinc/52/66/17/349526617.db2.gz NMMFEAZSXUZPMS-UHFFFAOYSA-N 1 1 224.264 1.313 20 5 BDBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602439568 349526619 /nfs/dbraw/zinc/52/66/19/349526619.db2.gz NMMFEAZSXUZPMS-UHFFFAOYSA-N 1 1 224.264 1.313 20 5 BDBDMO O=[N+]([O-])c1sccc1NCC[NH+]1CCC1 ZINC000601135519 344524030 /nfs/dbraw/zinc/52/40/30/344524030.db2.gz VRJVIEDCIIWWQQ-UHFFFAOYSA-N 1 1 227.289 1.774 20 5 BDBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000339627915 344673293 /nfs/dbraw/zinc/67/32/93/344673293.db2.gz DIZOOFCFXFLXGI-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCO ZINC000078634888 344892867 /nfs/dbraw/zinc/89/28/67/344892867.db2.gz WAHOMOKYHDKGNB-SECBINFHSA-N 1 1 224.260 1.580 20 5 BDBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000593110388 347861177 /nfs/dbraw/zinc/86/11/77/347861177.db2.gz WKMOHKOKENEYNY-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO CC[NH+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595290849 348214136 /nfs/dbraw/zinc/21/41/36/348214136.db2.gz FFINOIUMADYAQZ-UHFFFAOYSA-N 1 1 213.237 1.733 20 5 BDBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350086685 350315490 /nfs/dbraw/zinc/31/54/90/350315490.db2.gz UFHQMQRXLSEPIC-NXEZZACHSA-N 1 1 238.291 1.522 20 5 BDBDMO CC[C@H](NCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037713556 358476548 /nfs/dbraw/zinc/47/65/48/358476548.db2.gz ANMRRYNZEOADKW-LBPRGKRZSA-N 1 1 237.303 1.984 20 5 BDBDMO CN(CCc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000384971188 356828431 /nfs/dbraw/zinc/82/84/31/356828431.db2.gz YBGZNYYNEMZCIR-UHFFFAOYSA-N 1 1 249.314 1.559 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CCCn1cc[nH+]c1C ZINC000346613500 357113480 /nfs/dbraw/zinc/11/34/80/357113480.db2.gz ZSMDSSDMDPWPLN-UHFFFAOYSA-N 1 1 249.274 1.695 20 5 BDBDMO CSCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000152533163 359477169 /nfs/dbraw/zinc/47/71/69/359477169.db2.gz IMMFUFGFFRDINR-UHFFFAOYSA-N 1 1 244.320 1.086 20 5 BDBDMO CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394528 370869520 /nfs/dbraw/zinc/86/95/20/370869520.db2.gz ULTNALXRIDOELV-SECBINFHSA-N 1 1 224.264 1.448 20 5 BDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC(O)C3)c2c1 ZINC000601110680 371728568 /nfs/dbraw/zinc/72/85/68/371728568.db2.gz KIIKSEKCCNTMRU-UHFFFAOYSA-N 1 1 245.238 1.324 20 5 BDBDMO CCc1[nH+]ccn1CCn1c(C)ncc1[N+](=O)[O-] ZINC000601912519 371775749 /nfs/dbraw/zinc/77/57/49/371775749.db2.gz MAIYZTZYVFTLJB-UHFFFAOYSA-N 1 1 249.274 1.559 20 5 BDBDMO CCC[C@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440628 371804928 /nfs/dbraw/zinc/80/49/28/371804928.db2.gz QPUGUUSGDXKUJC-VIFPVBQESA-N 1 1 240.307 1.949 20 5 BDBDMO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)COC1 ZINC000602739925 371835691 /nfs/dbraw/zinc/83/56/91/371835691.db2.gz MXHTWMDHBISNQY-UHFFFAOYSA-N 1 1 222.244 1.473 20 5 BDBDMO CCC(C)(C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602791166 371840780 /nfs/dbraw/zinc/84/07/80/371840780.db2.gz SKTOPGSPQIGMKJ-UHFFFAOYSA-N 1 1 240.307 1.949 20 5 BDBDMO CCC[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000267083833 169123818 /nfs/dbraw/zinc/12/38/18/169123818.db2.gz NTHAMYYDOWEVAE-UHFFFAOYSA-N 1 1 226.280 1.523 20 5 BDBDMO C[C@@H](C[NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000309336227 383851468 /nfs/dbraw/zinc/85/14/68/383851468.db2.gz KBFNJTYFJOMDSP-VIFPVBQESA-N 1 1 223.276 1.279 20 5 BDBDMO Cn1nncc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000135855390 384401267 /nfs/dbraw/zinc/40/12/67/384401267.db2.gz MZBVLOZRSZZPOM-UHFFFAOYSA-N 1 1 247.258 1.013 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](C)O ZINC000291281003 385852874 /nfs/dbraw/zinc/85/28/74/385852874.db2.gz QJVVSQQEGOJOJA-VHSXEESVSA-N 1 1 238.287 1.968 20 5 BDBDMO C[C@@H](CN(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000130256015 388002659 /nfs/dbraw/zinc/00/26/59/388002659.db2.gz FSGFOQIWTKSXQP-QMMMGPOBSA-N 1 1 243.332 1.696 20 5 BDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000174838196 388092423 /nfs/dbraw/zinc/09/24/23/388092423.db2.gz ZYTXIEKFVGBCGI-UHFFFAOYSA-N 1 1 226.280 1.522 20 5 BDBDMO Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000271109714 388373525 /nfs/dbraw/zinc/37/35/25/388373525.db2.gz SZIDRJLCDDEDRD-NSHDSACASA-N 1 1 236.271 1.470 20 5 BDBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000354558858 388381029 /nfs/dbraw/zinc/38/10/29/388381029.db2.gz BNLPWQQNQGPILR-UHFFFAOYSA-N 1 1 248.286 1.664 20 5 BDBDMO C[C@H](C[NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423296986 388691829 /nfs/dbraw/zinc/69/18/29/388691829.db2.gz IESAXUWPCYVFTE-ZJUUUORDSA-N 1 1 237.303 1.840 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372301481 388702915 /nfs/dbraw/zinc/70/29/15/388702915.db2.gz NMWSXNYQNLBUJM-GFCCVEGCSA-N 1 1 248.282 1.552 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000375307501 388718579 /nfs/dbraw/zinc/71/85/79/388718579.db2.gz GXWIBQYOEGGDPC-LBPRGKRZSA-N 1 1 248.282 1.552 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC1CC1 ZINC000355557509 411185299 /nfs/dbraw/zinc/18/52/99/411185299.db2.gz SKCFNDKPBBOVHX-UHFFFAOYSA-N 1 1 224.264 1.170 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC1CC1 ZINC000355557509 411185302 /nfs/dbraw/zinc/18/53/02/411185302.db2.gz SKCFNDKPBBOVHX-UHFFFAOYSA-N 1 1 224.264 1.170 20 5 BDBDMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000022798833 173019379 /nfs/dbraw/zinc/01/93/79/173019379.db2.gz PRGFHJTXOUUKAQ-UHFFFAOYSA-N 1 1 236.275 1.132 20 5 BDBDMO C[N@@H+]1CCC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000122040282 173034802 /nfs/dbraw/zinc/03/48/02/173034802.db2.gz CRSYGYDBRGVXBZ-CYBMUJFWSA-N 1 1 249.314 1.779 20 5 BDBDMO C[N@H+]1CCC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000122040282 173034806 /nfs/dbraw/zinc/03/48/06/173034806.db2.gz CRSYGYDBRGVXBZ-CYBMUJFWSA-N 1 1 249.314 1.779 20 5 BDBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770085 173146788 /nfs/dbraw/zinc/14/67/88/173146788.db2.gz LMAPMKRZGWCECL-SSDOTTSWSA-N 1 1 242.304 1.415 20 5 BDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157321412 176099630 /nfs/dbraw/zinc/09/96/30/176099630.db2.gz CPSWHYPAHBIAAQ-SNVBAGLBSA-N 1 1 238.291 1.523 20 5 BDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000293520261 177256711 /nfs/dbraw/zinc/25/67/11/177256711.db2.gz VZJITJKRYKSLIC-IUCAKERBSA-N 1 1 224.264 1.132 20 5 BDBDMO Cc1nn(C[N@H+]2CC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000725779989 582848606 /nfs/dbraw/zinc/84/86/06/582848606.db2.gz WALBNJRUJUWQLO-QMMMGPOBSA-N 1 1 238.291 1.707 20 5 BDBDMO Cc1nn(C[N@@H+]2CC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000725779989 582848608 /nfs/dbraw/zinc/84/86/08/582848608.db2.gz WALBNJRUJUWQLO-QMMMGPOBSA-N 1 1 238.291 1.707 20 5 BDBDMO CC[N@H+](Cn1nccc1[N+](=O)[O-])C1CCC1 ZINC000738054283 585040699 /nfs/dbraw/zinc/04/06/99/585040699.db2.gz 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AFTPKUVZWUJCAH-MRVPVSSYSA-N 1 1 224.264 1.313 20 5 BDBDMO C[N@H+]1CC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134584972 342871154 /nfs/dbraw/zinc/87/11/54/342871154.db2.gz NPNCKEKAGPRCAY-SECBINFHSA-N 1 1 236.275 1.353 20 5 BDBDMO CC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602798989 349740079 /nfs/dbraw/zinc/74/00/79/349740079.db2.gz IDJMDNKRZTVESP-SECBINFHSA-N 1 1 222.244 1.834 20 5 BDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000044411768 345058902 /nfs/dbraw/zinc/05/89/02/345058902.db2.gz DSHXXWCDRQAAOL-SECBINFHSA-N 1 1 248.286 1.638 20 5 BDBDMO Cc1noc(Cn2c[nH+]c(C)c2C)c1[N+](=O)[O-] ZINC000595317357 348224709 /nfs/dbraw/zinc/22/47/09/348224709.db2.gz HOVGFZNSQJMEFG-UHFFFAOYSA-N 1 1 236.231 1.753 20 5 BDBDMO Cn1c[nH+]cc1CCNc1ccc([N+](=O)[O-])cc1 ZINC000302166996 191119217 /nfs/dbraw/zinc/11/92/17/191119217.db2.gz PCHZGINTFDRELS-UHFFFAOYSA-N 1 1 246.270 1.983 20 5 BDBDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293292524 351013764 /nfs/dbraw/zinc/01/37/64/351013764.db2.gz DIZOOFCFXFLXGI-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO CCCc1[nH+]ccn1CCn1cc([N+](=O)[O-])cn1 ZINC000269350832 188197040 /nfs/dbraw/zinc/19/70/40/188197040.db2.gz JQCXMEZQICXLCI-UHFFFAOYSA-N 1 1 249.274 1.641 20 5 BDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000053297688 356230157 /nfs/dbraw/zinc/23/01/57/356230157.db2.gz JZNFDLAPZMWWBF-JTQLQIEISA-N 1 1 248.286 1.638 20 5 BDBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000061759095 181270656 /nfs/dbraw/zinc/27/06/56/181270656.db2.gz NTUINPMHZKMMCB-NSHDSACASA-N 1 1 249.270 1.045 20 5 BDBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000061759095 181270659 /nfs/dbraw/zinc/27/06/59/181270659.db2.gz NTUINPMHZKMMCB-NSHDSACASA-N 1 1 249.270 1.045 20 5 BDBDMO CC[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172724518 134268865 /nfs/dbraw/zinc/26/88/65/134268865.db2.gz IUCLGZPQVSDZFV-SECBINFHSA-N 1 1 226.280 1.522 20 5 BDBDMO CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000079552107 359448803 /nfs/dbraw/zinc/44/88/03/359448803.db2.gz JCMWBXGARZPDML-UHFFFAOYSA-N 1 1 207.233 1.368 20 5 BDBDMO [NH3+]CC(F)(F)CNc1ccc([N+](=O)[O-])cc1F ZINC000162674026 181357506 /nfs/dbraw/zinc/35/75/06/181357506.db2.gz SCQKPQACRBUZIC-UHFFFAOYSA-N 1 1 249.192 1.740 20 5 BDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000078653483 370584996 /nfs/dbraw/zinc/58/49/96/370584996.db2.gz ZELLDPSYIUYOPU-QMMMGPOBSA-N 1 1 237.259 1.483 20 5 BDBDMO Cn1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602714778 371832644 /nfs/dbraw/zinc/83/26/44/371832644.db2.gz WGEOBCWCKLQEOT-IUCAKERBSA-N 1 1 236.275 1.170 20 5 BDBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602473415 371809555 /nfs/dbraw/zinc/80/95/55/371809555.db2.gz QWFINZBFSMRSRS-DTWKUNHWSA-N 1 1 238.291 1.559 20 5 BDBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CC1 ZINC000602470627 371810432 /nfs/dbraw/zinc/81/04/32/371810432.db2.gz ASKXPYTYGBILCV-UHFFFAOYSA-N 1 1 238.291 1.560 20 5 BDBDMO O=C(NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000337598187 182185460 /nfs/dbraw/zinc/18/54/60/182185460.db2.gz QAXAYWJCURIXRS-UHFFFAOYSA-N 1 1 249.270 1.030 20 5 BDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000112675106 383936886 /nfs/dbraw/zinc/93/68/86/383936886.db2.gz FQLVURAILBRTAH-UHFFFAOYSA-N 1 1 238.287 1.798 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCOCC2)c1 ZINC000363377749 384465040 /nfs/dbraw/zinc/46/50/40/384465040.db2.gz JCASARXAHSZJKO-UHFFFAOYSA-N 1 1 236.271 1.817 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCOCC2)c1 ZINC000363377749 384465047 /nfs/dbraw/zinc/46/50/47/384465047.db2.gz JCASARXAHSZJKO-UHFFFAOYSA-N 1 1 236.271 1.817 20 5 BDBDMO C[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000044386092 384655549 /nfs/dbraw/zinc/65/55/49/384655549.db2.gz PTGBDXQGAXATQP-LLVKDONJSA-N 1 1 235.287 1.389 20 5 BDBDMO C[N@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000044386092 384655553 /nfs/dbraw/zinc/65/55/53/384655553.db2.gz PTGBDXQGAXATQP-LLVKDONJSA-N 1 1 235.287 1.389 20 5 BDBDMO C[N@@H+](CCNc1ccncc1[N+](=O)[O-])C1CC1 ZINC000060374631 385051589 /nfs/dbraw/zinc/05/15/89/385051589.db2.gz HOWQFLFGUOLJST-UHFFFAOYSA-N 1 1 236.275 1.496 20 5 BDBDMO CC[N@@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000189686047 385271319 /nfs/dbraw/zinc/27/13/19/385271319.db2.gz UJMKOXFMUSENSP-UHFFFAOYSA-N 1 1 230.293 1.415 20 5 BDBDMO C[C@@H](CC[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000414889332 386114639 /nfs/dbraw/zinc/11/46/39/386114639.db2.gz SKWKPPMPCNYJKB-VIFPVBQESA-N 1 1 223.276 1.422 20 5 BDBDMO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000397954786 386088899 /nfs/dbraw/zinc/08/88/99/386088899.db2.gz DNVUTTBZOUBZKX-UHFFFAOYSA-N 1 1 249.314 1.779 20 5 BDBDMO CC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267082717 386811717 /nfs/dbraw/zinc/81/17/17/386811717.db2.gz YJFXMDRGHITAJF-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO CC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267082717 386811718 /nfs/dbraw/zinc/81/17/18/386811718.db2.gz YJFXMDRGHITAJF-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH3+] ZINC000592427561 388158533 /nfs/dbraw/zinc/15/85/33/388158533.db2.gz CFFSDMFPHDKMPF-DAXSKMNVSA-N 1 1 249.314 1.889 20 5 BDBDMO Cc1noc(C[N@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595301625 388381392 /nfs/dbraw/zinc/38/13/92/388381392.db2.gz LZBRYNGSNDNQIA-SSDOTTSWSA-N 1 1 225.248 1.733 20 5 BDBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595301625 388381393 /nfs/dbraw/zinc/38/13/93/388381393.db2.gz LZBRYNGSNDNQIA-SSDOTTSWSA-N 1 1 225.248 1.733 20 5 BDBDMO CNCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423234991 388689289 /nfs/dbraw/zinc/68/92/89/388689289.db2.gz AFVDPPCYDSUHHX-JTQLQIEISA-N 1 1 237.303 1.335 20 5 BDBDMO C[C@H](C[NH3+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423335451 388691568 /nfs/dbraw/zinc/69/15/68/388691568.db2.gz TUGSCZPNQREJFG-NXEZZACHSA-N 1 1 237.303 1.463 20 5 BDBDMO C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000282041644 388812246 /nfs/dbraw/zinc/81/22/46/388812246.db2.gz ZUOSIXHPQRATPT-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO C[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000282041644 388812251 /nfs/dbraw/zinc/81/22/51/388812251.db2.gz ZUOSIXHPQRATPT-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO C[N@@H+](CCCO)CCc1cccc([N+](=O)[O-])c1 ZINC000282526659 388817204 /nfs/dbraw/zinc/81/72/04/388817204.db2.gz UOKZEOAOKPVGGS-UHFFFAOYSA-N 1 1 238.287 1.452 20 5 BDBDMO CC(C)[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266938578 167368982 /nfs/dbraw/zinc/36/89/82/167368982.db2.gz VWIMENCZSUISOT-SNVBAGLBSA-N 1 1 240.307 1.768 20 5 BDBDMO CC1=CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000280708146 168099360 /nfs/dbraw/zinc/09/93/60/168099360.db2.gz DEBFVRVGMIVOLI-UHFFFAOYSA-N 1 1 236.275 1.443 20 5 BDBDMO CCc1[nH+]ccn1CCn1cc([N+](=O)[O-])cn1 ZINC000158415068 172025182 /nfs/dbraw/zinc/02/51/82/172025182.db2.gz SKUYSYRAPGABCC-UHFFFAOYSA-N 1 1 235.247 1.250 20 5 BDBDMO C[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176190475 176071403 /nfs/dbraw/zinc/07/14/03/176071403.db2.gz XQNWJXUHRGGQFA-SNVBAGLBSA-N 1 1 238.291 1.666 20 5 BDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000340946942 176383441 /nfs/dbraw/zinc/38/34/41/176383441.db2.gz CQRPPWSOXVPCGZ-MWLCHTKSSA-N 1 1 236.271 1.550 20 5 BDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000340946939 177337377 /nfs/dbraw/zinc/33/73/77/177337377.db2.gz CQRPPWSOXVPCGZ-GXSJLCMTSA-N 1 1 236.271 1.550 20 5 BDBDMO CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076409651 325344153 /nfs/dbraw/zinc/34/41/53/325344153.db2.gz AXJGCKASOUFIMD-UHFFFAOYSA-N 1 1 249.314 1.385 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000051821905 488049138 /nfs/dbraw/zinc/04/91/38/488049138.db2.gz NQFGRJWEOIODJT-SECBINFHSA-N 1 1 224.260 1.407 20 5 BDBDMO COC[C@@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000293505535 487556211 /nfs/dbraw/zinc/55/62/11/487556211.db2.gz HQFMFBFEKVAOAV-LBPRGKRZSA-N 1 1 236.271 1.816 20 5 BDBDMO COC[C@@H]1CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000293505535 487556219 /nfs/dbraw/zinc/55/62/19/487556219.db2.gz HQFMFBFEKVAOAV-LBPRGKRZSA-N 1 1 236.271 1.816 20 5 BDBDMO C[N@H+](C[C@@H]1CC1(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000853626944 588750906 /nfs/dbraw/zinc/75/09/06/588750906.db2.gz KOOYKZWGYLQNJA-VIFPVBQESA-N 1 1 238.291 1.727 20 5 BDBDMO C[N@@H+](C[C@@H]1CC1(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000853626944 588750907 /nfs/dbraw/zinc/75/09/07/588750907.db2.gz KOOYKZWGYLQNJA-VIFPVBQESA-N 1 1 238.291 1.727 20 5 BDBDMO C[N@H+]1C[C@@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941707 583254999 /nfs/dbraw/zinc/25/49/99/583254999.db2.gz VORIBYADGCBUAV-GXFFZTMASA-N 1 1 247.298 1.735 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000895769349 583724079 /nfs/dbraw/zinc/72/40/79/583724079.db2.gz CAYWRUCNKAMXCB-SECBINFHSA-N 1 1 236.275 1.293 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](F)C2)n1 ZINC000902999763 584715397 /nfs/dbraw/zinc/71/53/97/584715397.db2.gz YMQRVPDPRAUIJJ-SECBINFHSA-N 1 1 242.254 1.225 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](F)C2)n1 ZINC000902999763 584715398 /nfs/dbraw/zinc/71/53/98/584715398.db2.gz YMQRVPDPRAUIJJ-SECBINFHSA-N 1 1 242.254 1.225 20 5 BDBDMO C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000751928074 585239110 /nfs/dbraw/zinc/23/91/10/585239110.db2.gz LPOPCLXPAUMKRW-DTORHVGOSA-N 1 1 224.264 1.337 20 5 BDBDMO C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000751928074 585239111 /nfs/dbraw/zinc/23/91/11/585239111.db2.gz LPOPCLXPAUMKRW-DTORHVGOSA-N 1 1 224.264 1.337 20 5 BDBDMO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779864917 585769092 /nfs/dbraw/zinc/76/90/92/585769092.db2.gz JJGBPAIQTHVNNI-IUCAKERBSA-N 1 1 238.291 1.788 20 5 BDBDMO Cc1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779864917 585769093 /nfs/dbraw/zinc/76/90/93/585769093.db2.gz JJGBPAIQTHVNNI-IUCAKERBSA-N 1 1 238.291 1.788 20 5 BDBDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC[N+](=O)[O-] ZINC000787735324 585915013 /nfs/dbraw/zinc/91/50/13/585915013.db2.gz FRKATMBEXMJIOM-SSDOTTSWSA-N 1 1 240.225 1.926 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C)[NH3+])n1 ZINC000843187650 588091017 /nfs/dbraw/zinc/09/10/17/588091017.db2.gz SAWSLMHFFYMROQ-SSDOTTSWSA-N 1 1 248.242 1.973 20 5 BDBDMO Cc1noc(C[N@@H+]2CC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000880300003 590995682 /nfs/dbraw/zinc/99/56/82/590995682.db2.gz OALOQMZLGZDJAT-MRVPVSSYSA-N 1 1 243.238 1.683 20 5 BDBDMO Cc1noc(C[N@H+]2CC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000880300003 590995683 /nfs/dbraw/zinc/99/56/83/590995683.db2.gz OALOQMZLGZDJAT-MRVPVSSYSA-N 1 1 243.238 1.683 20 5 BDBDMO Cc1[nH+]cn(Cc2cccnc2[N+](=O)[O-])c1C ZINC000886011200 592130007 /nfs/dbraw/zinc/13/00/07/592130007.db2.gz WNNSWIBYUCEERM-UHFFFAOYSA-N 1 1 232.243 1.851 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000905105153 637613648 /nfs/dbraw/zinc/61/36/48/637613648.db2.gz IDSNPDFEGVDSOQ-SNVBAGLBSA-N 1 1 240.234 1.516 20 5 BDBDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905120109 637624612 /nfs/dbraw/zinc/62/46/12/637624612.db2.gz UMQIZNXHWWFBMS-JTQLQIEISA-N 1 1 236.275 1.029 20 5 BDBDMO CN1Cc2ccccc2[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905189444 637668172 /nfs/dbraw/zinc/66/81/72/637668172.db2.gz SYCJSCNFRMVTHK-GFCCVEGCSA-N 1 1 235.287 1.039 20 5 BDBDMO Cc1c(C[NH2+]CC[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000905227872 637688673 /nfs/dbraw/zinc/68/86/73/637688673.db2.gz CXSNIBRYYRWILY-UHFFFAOYSA-N 1 1 239.231 1.270 20 5 BDBDMO [NH3+][C@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000906508721 638181394 /nfs/dbraw/zinc/18/13/94/638181394.db2.gz WQOIYQKBMVRMSF-GNBMTSKZSA-N 1 1 247.298 1.687 20 5 BDBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930273138 639675842 /nfs/dbraw/zinc/67/58/42/639675842.db2.gz DUUHGSACJPABER-RQJHMYQMSA-N 1 1 226.198 1.536 20 5 BDBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC[N+](=O)[O-] ZINC000930273138 639675851 /nfs/dbraw/zinc/67/58/51/639675851.db2.gz DUUHGSACJPABER-RQJHMYQMSA-N 1 1 226.198 1.536 20 5 BDBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC[N+](=O)[O-] ZINC000930456515 639758661 /nfs/dbraw/zinc/75/86/61/639758661.db2.gz VDJABHDSXGKEJE-MNOVXSKESA-N 1 1 230.308 1.279 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000930516550 639794595 /nfs/dbraw/zinc/79/45/95/639794595.db2.gz MPSFOOKALRERTG-NSHDSACASA-N 1 1 221.260 1.148 20 5 BDBDMO C[C@]12CC[N@@H+](CC[N+](=O)[O-])C[C@H]1C2(F)F ZINC000930539209 639805421 /nfs/dbraw/zinc/80/54/21/639805421.db2.gz HRVQFUDHFORVSK-SFYZADRCSA-N 1 1 220.219 1.240 20 5 BDBDMO CC[N@@H+](CC[N+](=O)[O-])C1CC(C)(C)C1 ZINC000930731246 639882126 /nfs/dbraw/zinc/88/21/26/639882126.db2.gz VLYVERFHUFHOIB-UHFFFAOYSA-N 1 1 200.282 1.774 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000930810001 639914116 /nfs/dbraw/zinc/91/41/16/639914116.db2.gz QDJHKYXOOQGZND-GFCCVEGCSA-N 1 1 235.287 1.538 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000931077154 640058537 /nfs/dbraw/zinc/05/85/37/640058537.db2.gz PWEHEVKEMQTPDL-TXEJJXNPSA-N 1 1 240.303 1.156 20 5 BDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cc2cnccc2o1 ZINC000931566464 640275530 /nfs/dbraw/zinc/27/55/30/640275530.db2.gz XLHBVYVPSXPUTI-MRVPVSSYSA-N 1 1 235.243 1.755 20 5 BDBDMO Cn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000048690112 641697463 /nfs/dbraw/zinc/69/74/63/641697463.db2.gz LTTPXSMWCZXWCZ-UHFFFAOYSA-N 1 1 246.270 1.618 20 5 BDBDMO C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000194622911 642185845 /nfs/dbraw/zinc/18/58/45/642185845.db2.gz WPTLWLWZOOUBIS-JTQLQIEISA-N 1 1 238.291 1.871 20 5 BDBDMO C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000194622911 642185859 /nfs/dbraw/zinc/18/58/59/642185859.db2.gz WPTLWLWZOOUBIS-JTQLQIEISA-N 1 1 238.291 1.871 20 5 BDBDMO CN(C)c1cc(Cn2ccnc2[N+](=O)[O-])cc[nH+]1 ZINC000918377046 642192520 /nfs/dbraw/zinc/19/25/20/642192520.db2.gz ANZUPGHRZQJRFE-UHFFFAOYSA-N 1 1 247.258 1.301 20 5 BDBDMO Cc1ccc(C[NH2+]Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000088750924 644528264 /nfs/dbraw/zinc/52/82/64/644528264.db2.gz 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CCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653020 169078195 /nfs/dbraw/zinc/07/81/95/169078195.db2.gz NAOJTJIUUZQDIB-LBPRGKRZSA-N 1 1 238.287 1.970 20 5 BDBDMO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000331514225 169173350 /nfs/dbraw/zinc/17/33/50/169173350.db2.gz QBDPJMCSJWOYQE-UHFFFAOYSA-N 1 1 238.291 1.703 20 5 BDBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000331514225 169173351 /nfs/dbraw/zinc/17/33/51/169173351.db2.gz QBDPJMCSJWOYQE-UHFFFAOYSA-N 1 1 238.291 1.703 20 5 BDBDMO CCCC[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000157610095 384229211 /nfs/dbraw/zinc/22/92/11/384229211.db2.gz JBJWDNQOHFMSFD-UHFFFAOYSA-N 1 1 240.307 1.913 20 5 BDBDMO N[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422737437 384468144 /nfs/dbraw/zinc/46/81/44/384468144.db2.gz IFCKVHLTUWFCOK-STQMWFEESA-N 1 1 249.314 1.607 20 5 BDBDMO N[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422737435 384468802 /nfs/dbraw/zinc/46/88/02/384468802.db2.gz IFCKVHLTUWFCOK-OLZOCXBDSA-N 1 1 249.314 1.607 20 5 BDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285457777 384487765 /nfs/dbraw/zinc/48/77/65/384487765.db2.gz JPITTZVCPGQPIV-UHFFFAOYSA-N 1 1 236.271 1.552 20 5 BDBDMO CC[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000396 385590902 /nfs/dbraw/zinc/59/09/02/385590902.db2.gz VEOAUZZJLZAGBC-UHFFFAOYSA-N 1 1 238.291 1.662 20 5 BDBDMO C[C@@H](O)CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000075781721 386095481 /nfs/dbraw/zinc/09/54/81/386095481.db2.gz RKICCCAABWUARE-MRVPVSSYSA-N 1 1 244.316 1.859 20 5 BDBDMO C[C@@H](O)CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000075781721 386095486 /nfs/dbraw/zinc/09/54/86/386095486.db2.gz RKICCCAABWUARE-MRVPVSSYSA-N 1 1 244.316 1.859 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000366441880 386385227 /nfs/dbraw/zinc/38/52/27/386385227.db2.gz PHYJDLCWRCXVEE-ITGUQSILSA-N 1 1 248.282 1.265 20 5 BDBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000035792497 387371839 /nfs/dbraw/zinc/37/18/39/387371839.db2.gz QFROJHZMIHUFBJ-YUMQZZPRSA-N 1 1 237.259 1.119 20 5 BDBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000054127820 387347025 /nfs/dbraw/zinc/34/70/25/387347025.db2.gz FXAVJRGXTZOHNF-UHFFFAOYSA-N 1 1 223.276 1.958 20 5 BDBDMO C[C@H](NCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000037713581 388586803 /nfs/dbraw/zinc/58/68/03/388586803.db2.gz JIBJXVSHWFUNIM-VIFPVBQESA-N 1 1 223.276 1.594 20 5 BDBDMO Cc1c([C@H](C)NCCC[NH3+])cccc1[N+](=O)[O-] ZINC000423188249 388688109 /nfs/dbraw/zinc/68/81/09/388688109.db2.gz LLTOYLKERGLOBT-JTQLQIEISA-N 1 1 237.303 1.903 20 5 BDBDMO C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268793 388689362 /nfs/dbraw/zinc/68/93/62/388689362.db2.gz DYRKTWCAZIMZPY-TVQRCGJNSA-N 1 1 249.314 1.983 20 5 BDBDMO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000330640743 388759586 /nfs/dbraw/zinc/75/95/86/388759586.db2.gz HYSUUWBOBOJJPT-WPRPVWTQSA-N 1 1 249.270 1.134 20 5 BDBDMO CC[C@H](C)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176238911 171272367 /nfs/dbraw/zinc/27/23/67/171272367.db2.gz ZCCIOXNIMXEBGN-JTQLQIEISA-N 1 1 240.307 1.769 20 5 BDBDMO CCc1[nH+]ccn1Cc1c([N+](=O)[O-])ncn1C ZINC000332608541 172028009 /nfs/dbraw/zinc/02/80/09/172028009.db2.gz CNPLCGQEZZWDID-UHFFFAOYSA-N 1 1 235.247 1.136 20 5 BDBDMO C[N@@H+]1CCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000227440438 173034623 /nfs/dbraw/zinc/03/46/23/173034623.db2.gz BDSQFZCIEGXIGX-GFCCVEGCSA-N 1 1 249.314 1.779 20 5 BDBDMO C[N@H+]1CCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000227440438 173034627 /nfs/dbraw/zinc/03/46/27/173034627.db2.gz BDSQFZCIEGXIGX-GFCCVEGCSA-N 1 1 249.314 1.779 20 5 BDBDMO COCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599310 174280808 /nfs/dbraw/zinc/28/08/08/174280808.db2.gz UEMXWKFNURWRCT-UHFFFAOYSA-N 1 1 224.260 1.673 20 5 BDBDMO COCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599310 174280809 /nfs/dbraw/zinc/28/08/09/174280809.db2.gz UEMXWKFNURWRCT-UHFFFAOYSA-N 1 1 224.260 1.673 20 5 BDBDMO C[C@@H]1C[N@H+](C)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994429 176274877 /nfs/dbraw/zinc/27/48/77/176274877.db2.gz MXAOSDZOTDJREW-PWSUYJOCSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994429 176274878 /nfs/dbraw/zinc/27/48/78/176274878.db2.gz MXAOSDZOTDJREW-PWSUYJOCSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000340930929 176383418 /nfs/dbraw/zinc/38/34/18/176383418.db2.gz TZJWTGNBLUSSCK-BXKDBHETSA-N 1 1 236.271 1.550 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](O)C1 ZINC000074313398 177038057 /nfs/dbraw/zinc/03/80/57/177038057.db2.gz AQTUTISUHBJBGU-SKDRFNHKSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176286248 177109453 /nfs/dbraw/zinc/10/94/53/177109453.db2.gz QSFSJZDEWMRLET-VIFPVBQESA-N 1 1 224.264 1.276 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351810988 177264304 /nfs/dbraw/zinc/26/43/04/177264304.db2.gz OLMPZJFMKMMXRX-JOYOIKCWSA-N 1 1 236.271 1.407 20 5 BDBDMO Cn1c[nH+]cc1CCCn1nccc1[N+](=O)[O-] ZINC000566498079 323003215 /nfs/dbraw/zinc/00/32/15/323003215.db2.gz UGWHVZUURQHYFC-UHFFFAOYSA-N 1 1 235.247 1.158 20 5 BDBDMO CC1=NO[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000895310853 583647027 /nfs/dbraw/zinc/64/70/27/583647027.db2.gz KLFCBTXDKHEEPY-LLVKDONJSA-N 1 1 249.270 1.849 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000895767746 583723149 /nfs/dbraw/zinc/72/31/49/583723149.db2.gz QQTUBHSDQKYOGD-ZETCQYMHSA-N 1 1 240.238 1.245 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000895767746 583723150 /nfs/dbraw/zinc/72/31/50/583723150.db2.gz QQTUBHSDQKYOGD-ZETCQYMHSA-N 1 1 240.238 1.245 20 5 BDBDMO CCC[N@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000727820880 583777871 /nfs/dbraw/zinc/77/78/71/583777871.db2.gz PQIPTSQWIIHVLC-UHFFFAOYSA-N 1 1 212.253 1.481 20 5 BDBDMO CCC[N@@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000727820880 583777873 /nfs/dbraw/zinc/77/78/73/583777873.db2.gz PQIPTSQWIIHVLC-UHFFFAOYSA-N 1 1 212.253 1.481 20 5 BDBDMO C[NH+](C)[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899859470 584242690 /nfs/dbraw/zinc/24/26/90/584242690.db2.gz KFSQKCWOWRUYMC-GFCCVEGCSA-N 1 1 237.303 1.156 20 5 BDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCC[N+](=O)[O-])C1 ZINC000899870499 584244464 /nfs/dbraw/zinc/24/44/64/584244464.db2.gz HVZGCBXQTMUKGP-TXEJJXNPSA-N 1 1 243.351 1.221 20 5 BDBDMO C[C@H](CNCC[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000899870318 584244470 /nfs/dbraw/zinc/24/44/70/584244470.db2.gz MHBYKBFRWHUNAY-GHMZBOCLSA-N 1 1 229.324 1.116 20 5 BDBDMO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCCC[C@H]1C ZINC000899870318 584244471 /nfs/dbraw/zinc/24/44/71/584244471.db2.gz MHBYKBFRWHUNAY-GHMZBOCLSA-N 1 1 229.324 1.116 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](F)C2)c1 ZINC000902994484 584711287 /nfs/dbraw/zinc/71/12/87/584711287.db2.gz CNTGJPXDMUUFJZ-VIFPVBQESA-N 1 1 242.254 1.225 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](F)C2)c1 ZINC000902994484 584711289 /nfs/dbraw/zinc/71/12/89/584711289.db2.gz CNTGJPXDMUUFJZ-VIFPVBQESA-N 1 1 242.254 1.225 20 5 BDBDMO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886218618 585115459 /nfs/dbraw/zinc/11/54/59/585115459.db2.gz ZHMFAPJKHWYUKA-IUCAKERBSA-N 1 1 221.260 1.830 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886218618 585115460 /nfs/dbraw/zinc/11/54/60/585115460.db2.gz ZHMFAPJKHWYUKA-IUCAKERBSA-N 1 1 221.260 1.830 20 5 BDBDMO C[C@H]1C[NH+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C ZINC000751928082 585239119 /nfs/dbraw/zinc/23/91/19/585239119.db2.gz LRPXNTTTZVFOMQ-IUCAKERBSA-N 1 1 224.264 1.337 20 5 BDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000763334667 585446493 /nfs/dbraw/zinc/44/64/93/585446493.db2.gz UTUAGVRBIPCJRS-SNVBAGLBSA-N 1 1 236.275 1.481 20 5 BDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000763334667 585446494 /nfs/dbraw/zinc/44/64/94/585446494.db2.gz UTUAGVRBIPCJRS-SNVBAGLBSA-N 1 1 236.275 1.481 20 5 BDBDMO Cc1nn(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000779864131 585769250 /nfs/dbraw/zinc/76/92/50/585769250.db2.gz UWWPOIICUSJHCU-IUCAKERBSA-N 1 1 238.291 1.645 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000791053533 585973055 /nfs/dbraw/zinc/97/30/55/585973055.db2.gz TWOOJHMOLGDKMI-UWVGGRQHSA-N 1 1 230.333 1.623 20 5 BDBDMO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC[N+](=O)[O-] ZINC000791055419 585973290 /nfs/dbraw/zinc/97/32/90/585973290.db2.gz UDRSFFZNRGLYNE-JTQLQIEISA-N 1 1 238.291 1.006 20 5 BDBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC[N+](=O)[O-] ZINC000791055419 585973291 /nfs/dbraw/zinc/97/32/91/585973291.db2.gz UDRSFFZNRGLYNE-JTQLQIEISA-N 1 1 238.291 1.006 20 5 BDBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791053106 585973347 /nfs/dbraw/zinc/97/33/47/585973347.db2.gz AOWCKCLLTMJBPI-SNVBAGLBSA-N 1 1 238.291 1.440 20 5 BDBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791053106 585973348 /nfs/dbraw/zinc/97/33/48/585973348.db2.gz AOWCKCLLTMJBPI-SNVBAGLBSA-N 1 1 238.291 1.440 20 5 BDBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860920485 589132401 /nfs/dbraw/zinc/13/24/01/589132401.db2.gz CMKBWUHBXGVFHH-JTQLQIEISA-N 1 1 244.291 1.071 20 5 BDBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860920485 589132402 /nfs/dbraw/zinc/13/24/02/589132402.db2.gz CMKBWUHBXGVFHH-JTQLQIEISA-N 1 1 244.291 1.071 20 5 BDBDMO CCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885971180 592119263 /nfs/dbraw/zinc/11/92/63/592119263.db2.gz SPWWIDDKFZOTSA-UHFFFAOYSA-N 1 1 209.249 1.832 20 5 BDBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886218616 592178752 /nfs/dbraw/zinc/17/87/52/592178752.db2.gz ZHMFAPJKHWYUKA-BDAKNGLRSA-N 1 1 221.260 1.830 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886218616 592178754 /nfs/dbraw/zinc/17/87/54/592178754.db2.gz ZHMFAPJKHWYUKA-BDAKNGLRSA-N 1 1 221.260 1.830 20 5 BDBDMO C[C@H](CCO)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886269453 592192180 /nfs/dbraw/zinc/19/21/80/592192180.db2.gz VMDCYRJEZDUBCR-SECBINFHSA-N 1 1 239.275 1.193 20 5 BDBDMO C[C@H](CCO)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886269453 592192182 /nfs/dbraw/zinc/19/21/82/592192182.db2.gz VMDCYRJEZDUBCR-SECBINFHSA-N 1 1 239.275 1.193 20 5 BDBDMO CC[NH2+]Cc1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051860738 631972819 /nfs/dbraw/zinc/97/28/19/631972819.db2.gz BKFUWFACFHNORW-UHFFFAOYSA-N 1 1 248.242 1.754 20 5 BDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](O)C1 ZINC000061708784 632605393 /nfs/dbraw/zinc/60/53/93/632605393.db2.gz RSBFKUTZCUETSN-JTQLQIEISA-N 1 1 240.234 1.301 20 5 BDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000061708784 632605399 /nfs/dbraw/zinc/60/53/99/632605399.db2.gz RSBFKUTZCUETSN-JTQLQIEISA-N 1 1 240.234 1.301 20 5 BDBDMO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1c(C)noc1C ZINC000309428200 633057145 /nfs/dbraw/zinc/05/71/45/633057145.db2.gz FSHLSLWRIRFDJX-SECBINFHSA-N 1 1 227.264 1.609 20 5 BDBDMO CC(C)[C@H]1[N@@H+](CC[N+](=O)[O-])CC12CCC2 ZINC000899885921 637148306 /nfs/dbraw/zinc/14/83/06/637148306.db2.gz QHKPVZXKGKXACN-SNVBAGLBSA-N 1 1 212.293 1.774 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@H]1COCc2ccccc21 ZINC000905293722 637726003 /nfs/dbraw/zinc/72/60/03/637726003.db2.gz XOZUTYMDOZHRFL-NSHDSACASA-N 1 1 222.244 1.124 20 5 BDBDMO COc1c(Cl)cccc1C[NH2+]CC[N+](=O)[O-] ZINC000905642295 637879960 /nfs/dbraw/zinc/87/99/60/637879960.db2.gz HDEBXTJUDVVXSA-UHFFFAOYSA-N 1 1 244.678 1.715 20 5 BDBDMO [NH3+][C@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000906508722 638180791 /nfs/dbraw/zinc/18/07/91/638180791.db2.gz WQOIYQKBMVRMSF-LSTVRDIWSA-N 1 1 247.298 1.687 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000930290154 639680777 /nfs/dbraw/zinc/68/07/77/639680777.db2.gz IESGWFGUFCMUNB-SECBINFHSA-N 1 1 200.282 1.774 20 5 BDBDMO CSC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930557719 639810828 /nfs/dbraw/zinc/81/08/28/639810828.db2.gz CHFKZMFYVYTKMP-SECBINFHSA-N 1 1 218.322 1.338 20 5 BDBDMO Cc1ccccc1CC[N@H+](C)CC[N+](=O)[O-] ZINC000930598800 639816291 /nfs/dbraw/zinc/81/62/91/639816291.db2.gz RZOPFEIOJACLDO-UHFFFAOYSA-N 1 1 222.288 1.746 20 5 BDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000930652828 639841557 /nfs/dbraw/zinc/84/15/57/639841557.db2.gz PJSNLSCBXYEDJE-ZJUUUORDSA-N 1 1 228.292 1.153 20 5 BDBDMO COc1cccc2c1C[N@H+](CC[N+](=O)[O-])CC2 ZINC000930647686 639843148 /nfs/dbraw/zinc/84/31/48/639843148.db2.gz ORZLMJDNNBOGSA-UHFFFAOYSA-N 1 1 236.271 1.330 20 5 BDBDMO COc1cccc2c1C[N@@H+](CC[N+](=O)[O-])CC2 ZINC000930647686 639843150 /nfs/dbraw/zinc/84/31/50/639843150.db2.gz ORZLMJDNNBOGSA-UHFFFAOYSA-N 1 1 236.271 1.330 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000931026026 640029611 /nfs/dbraw/zinc/02/96/11/640029611.db2.gz OMRBCGVGSIISQX-NWDGAFQWSA-N 1 1 242.319 1.544 20 5 BDBDMO C[N@@H+](CC1CCCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000058207398 640690083 /nfs/dbraw/zinc/69/00/83/640690083.db2.gz XLMQMWSCHHDDAW-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO C[C@]12C[N@@H+](CC[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933704291 640747946 /nfs/dbraw/zinc/74/79/46/640747946.db2.gz WMPCHIGKFAOZRH-WHOHXGKFSA-N 1 1 222.288 1.407 20 5 BDBDMO Cc1nn(C[N@@H+](C)C2CCC2)c(C)c1[N+](=O)[O-] ZINC000172964332 641138652 /nfs/dbraw/zinc/13/86/52/641138652.db2.gz JBHDKKIVKGUUDJ-UHFFFAOYSA-N 1 1 238.291 1.850 20 5 BDBDMO Cc1nn(C[N@H+](C)C2CCC2)c(C)c1[N+](=O)[O-] ZINC000172964332 641138657 /nfs/dbraw/zinc/13/86/57/641138657.db2.gz JBHDKKIVKGUUDJ-UHFFFAOYSA-N 1 1 238.291 1.850 20 5 BDBDMO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000172962877 641138782 /nfs/dbraw/zinc/13/87/82/641138782.db2.gz SAFGQXOAJQSADA-UHFFFAOYSA-N 1 1 210.237 1.233 20 5 BDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000172962877 641138788 /nfs/dbraw/zinc/13/87/88/641138788.db2.gz SAFGQXOAJQSADA-UHFFFAOYSA-N 1 1 210.237 1.233 20 5 BDBDMO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000174960000 642642463 /nfs/dbraw/zinc/64/24/63/642642463.db2.gz JNBBFXSYUPBCQL-RKDXNWHRSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000174960000 642642467 /nfs/dbraw/zinc/64/24/67/642642467.db2.gz JNBBFXSYUPBCQL-RKDXNWHRSA-N 1 1 224.264 1.479 20 5 BDBDMO [NH3+][C@@H]1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000093215720 644682159 /nfs/dbraw/zinc/68/21/59/644682159.db2.gz DPPXWOVBOWINBR-NEPJUHHUSA-N 1 1 249.314 1.954 20 5 BDBDMO CCc1ccc(C[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929210448 646005752 /nfs/dbraw/zinc/00/57/52/646005752.db2.gz NUDIKDWQIGMYTD-UHFFFAOYSA-N 1 1 222.288 1.958 20 5 BDBDMO CCc1ccc(C[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929210448 646005755 /nfs/dbraw/zinc/00/57/55/646005755.db2.gz NUDIKDWQIGMYTD-UHFFFAOYSA-N 1 1 222.288 1.958 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000929789069 646316886 /nfs/dbraw/zinc/31/68/86/646316886.db2.gz PSDFIRNGDWTDJF-NSHDSACASA-N 1 1 206.245 1.710 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]1c1ccccc1 ZINC000929789069 646316892 /nfs/dbraw/zinc/31/68/92/646316892.db2.gz PSDFIRNGDWTDJF-NSHDSACASA-N 1 1 206.245 1.710 20 5 BDBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000929850650 646361835 /nfs/dbraw/zinc/36/18/35/646361835.db2.gz LPQIBBGMMRFMSA-SNVBAGLBSA-N 1 1 238.287 1.532 20 5 BDBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC[N+](=O)[O-] ZINC000930034431 646404385 /nfs/dbraw/zinc/40/43/85/646404385.db2.gz AUCUKZRPLYNXDA-QWRGUYRKSA-N 1 1 244.335 1.789 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000930096731 646432849 /nfs/dbraw/zinc/43/28/49/646432849.db2.gz JWHAVWIFNPHIHN-LLVKDONJSA-N 1 1 228.292 1.012 20 5 BDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000930183087 646482937 /nfs/dbraw/zinc/48/29/37/646482937.db2.gz NPYBTJXOKYMOLU-ZETCQYMHSA-N 1 1 230.214 1.892 20 5 BDBDMO C[C@H]1[C@@H](NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719604328 712815836 /nfs/dbraw/zinc/81/58/36/712815836.db2.gz UUUDAXZAUGDMCN-JQWIXIFHSA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@H]1[C@@H](NCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719604328 712815838 /nfs/dbraw/zinc/81/58/38/712815838.db2.gz UUUDAXZAUGDMCN-JQWIXIFHSA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169005973 969329353 /nfs/dbraw/zinc/32/93/53/969329353.db2.gz DTVWDJRRUCLGFX-GMTAPVOTSA-N 1 1 240.303 1.343 20 5 BDBDMO CO[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010158 969337053 /nfs/dbraw/zinc/33/70/53/969337053.db2.gz ZDVNQAVKLBVPAV-GRYCIOLGSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169007712 969334553 /nfs/dbraw/zinc/33/45/53/969334553.db2.gz PTZZJKPCFBZVBJ-JQWIXIFHSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@@H+]([C@@H]1CCOC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038120 969356718 /nfs/dbraw/zinc/35/67/18/969356718.db2.gz VVYCKIJGPQZIQC-GARJFASQSA-N 1 1 228.292 1.153 20 5 BDBDMO C[NH2+][C@@H]1CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC001156638142 963421821 /nfs/dbraw/zinc/42/18/21/963421821.db2.gz JIFLPGVXAPZHLL-VIFPVBQESA-N 1 1 222.248 1.054 20 5 BDBDMO CN(C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163572147 965455815 /nfs/dbraw/zinc/45/58/15/965455815.db2.gz DFMVTDBHFAWWBZ-AATRIKPKSA-N 1 1 236.275 1.588 20 5 BDBDMO Cc1nc(N[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000161533257 967378884 /nfs/dbraw/zinc/37/88/84/967378884.db2.gz DFCGNHIQPSPIRR-VIFPVBQESA-N 1 1 236.275 1.414 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](CO)C2)C1 ZINC001169009369 969333995 /nfs/dbraw/zinc/33/39/95/969333995.db2.gz VVJSJUZGPUAYHR-WOPDTQHZSA-N 1 1 242.319 1.136 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011668 969337458 /nfs/dbraw/zinc/33/74/58/969337458.db2.gz MBACVSIGHHLYMR-VWYCJHECSA-N 1 1 212.293 1.774 20 5 BDBDMO CO[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011068 969339507 /nfs/dbraw/zinc/33/95/07/969339507.db2.gz HZWFFJUTNIFJHC-VPOLOUISSA-N 1 1 246.282 1.101 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](O)C2)C1 ZINC001169010282 969339787 /nfs/dbraw/zinc/33/97/87/969339787.db2.gz CEGTXZBVNKVKDJ-GRYCIOLGSA-N 1 1 242.319 1.279 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3OCC[C@H]32)C1 ZINC001169013785 969341912 /nfs/dbraw/zinc/34/19/12/969341912.db2.gz WJSFDCZLSCYRBO-DDHJBXDOSA-N 1 1 240.303 1.295 20 5 BDBDMO COC[C@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169041606 969355175 /nfs/dbraw/zinc/35/51/75/969355175.db2.gz BLTDNKVWQOLNPI-GRYCIOLGSA-N 1 1 242.319 1.400 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001169037078 969357142 /nfs/dbraw/zinc/35/71/42/969357142.db2.gz IRGZCARUSWZWQU-FIQHERPVSA-N 1 1 240.303 1.153 20 5 BDBDMO C[N@@H+]([C@@H]1CCOC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038122 969357346 /nfs/dbraw/zinc/35/73/46/969357346.db2.gz VVYCKIJGPQZIQC-HBNTYKKESA-N 1 1 228.292 1.153 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053890 969371416 /nfs/dbraw/zinc/37/14/16/969371416.db2.gz JZCNXSPKJXRHOK-DDHJBXDOSA-N 1 1 240.303 1.295 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006751 974760775 /nfs/dbraw/zinc/76/07/75/974760775.db2.gz HGNOPHLERRYHFW-MRVPVSSYSA-N 1 1 240.234 1.817 20 5 BDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1CC([NH3+])C1 ZINC001173219910 975074266 /nfs/dbraw/zinc/07/42/66/975074266.db2.gz QZTNRAVRSVAUBE-GCVQQVDUSA-N 1 1 249.314 1.605 20 5 BDBDMO C[C@@H](C[N+](C)(C)C)Oc1ccc2[nH]nnc2c1 ZINC001228662052 976418102 /nfs/dbraw/zinc/41/81/02/976418102.db2.gz BMYPEQPKVPNPCN-VIFPVBQESA-N 1 1 235.311 1.431 20 5 BDBDMO C[C@@H](C[N+](C)(C)C)Oc1nnc2c[nH]ccc1-2 ZINC001228988994 976613136 /nfs/dbraw/zinc/61/31/36/976613136.db2.gz DCJDONRCNCAVNA-VIFPVBQESA-N 1 1 235.311 1.431 20 5 BDBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])CCS1 ZINC001341359082 979352861 /nfs/dbraw/zinc/35/28/61/979352861.db2.gz IGHRYKOUKNSMKZ-QMMMGPOBSA-N 1 1 204.295 1.091 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC=CC12CCCCC2 ZINC001460982057 985978170 /nfs/dbraw/zinc/97/81/70/985978170.db2.gz PNWUYAIJROXFHI-UHFFFAOYSA-N 1 1 210.277 1.838 20 5 BDBDMO CC[C@@H](N)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246319969 987724145 /nfs/dbraw/zinc/72/41/45/987724145.db2.gz XALLXQSAEHWLTK-VXGBXAGGSA-N 1 1 249.314 1.389 20 5 BDBDMO CC[C@@H]([NH3+])CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246319969 987724137 /nfs/dbraw/zinc/72/41/37/987724137.db2.gz XALLXQSAEHWLTK-VXGBXAGGSA-N 1 1 249.314 1.389 20 5 BDBDMO CCC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC001262259133 992822998 /nfs/dbraw/zinc/82/29/98/992822998.db2.gz BQKJDQDHQFFVHW-JTQLQIEISA-N 1 1 200.282 1.918 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCO ZINC000183226022 178271065 /nfs/dbraw/zinc/27/10/65/178271065.db2.gz AWYIHKCFJGXVMF-UHFFFAOYSA-N 1 1 224.260 1.327 20 5 BDBDMO CC[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602487142 349568943 /nfs/dbraw/zinc/56/89/43/349568943.db2.gz UJVAAJWMZAYPCI-VIFPVBQESA-N 1 1 238.291 1.560 20 5 BDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602788418 349751382 /nfs/dbraw/zinc/75/13/82/349751382.db2.gz PIFAEHYUNYIBGB-DTORHVGOSA-N 1 1 238.291 1.701 20 5 BDBDMO C[C@H](CNCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000038088052 343942578 /nfs/dbraw/zinc/94/25/78/343942578.db2.gz RXTBUQYROXYBIK-SNVBAGLBSA-N 1 1 237.303 1.635 20 5 BDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C2CC2)CC1 ZINC000148489489 346035954 /nfs/dbraw/zinc/03/59/54/346035954.db2.gz ISSAHKJIPRQTGL-UHFFFAOYSA-N 1 1 247.298 1.879 20 5 BDBDMO Cc1cccc(NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000235782278 179143762 /nfs/dbraw/zinc/14/37/62/179143762.db2.gz LARRBMFNDAUUAB-UHFFFAOYSA-N 1 1 245.229 1.909 20 5 BDBDMO Cc1noc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595331991 348228152 /nfs/dbraw/zinc/22/81/52/348228152.db2.gz AWIFFRHZTKVPCD-OCAPTIKFSA-N 1 1 239.275 1.979 20 5 BDBDMO Cc1noc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000595813269 348352992 /nfs/dbraw/zinc/35/29/92/348352992.db2.gz ZMEKGMOYLVZPNX-RKDXNWHRSA-N 1 1 237.259 1.733 20 5 BDBDMO Cc1noc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000595813269 348352994 /nfs/dbraw/zinc/35/29/94/348352994.db2.gz ZMEKGMOYLVZPNX-RKDXNWHRSA-N 1 1 237.259 1.733 20 5 BDBDMO Cc1[nH+]ccn1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000098083248 180267849 /nfs/dbraw/zinc/26/78/49/180267849.db2.gz UPSSQHOGZUHIQB-LBPRGKRZSA-N 1 1 247.254 1.833 20 5 BDBDMO O=[N+]([O-])c1ccc(CC[NH2+]CC(F)F)cc1 ZINC000040676040 350391546 /nfs/dbraw/zinc/39/15/46/350391546.db2.gz OSBXYVMZWYFYTB-UHFFFAOYSA-N 1 1 230.214 1.992 20 5 BDBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000331074597 350729044 /nfs/dbraw/zinc/72/90/44/350729044.db2.gz UUPQGQSBKBGQRS-UHFFFAOYSA-N 1 1 226.280 1.559 20 5 BDBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000331074597 350729048 /nfs/dbraw/zinc/72/90/48/350729048.db2.gz UUPQGQSBKBGQRS-UHFFFAOYSA-N 1 1 226.280 1.559 20 5 BDBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297416 356210473 /nfs/dbraw/zinc/21/04/73/356210473.db2.gz BUVYXBLZPFTAFR-VIFPVBQESA-N 1 1 236.275 1.353 20 5 BDBDMO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000089149826 357025610 /nfs/dbraw/zinc/02/56/10/357025610.db2.gz SADDHVJMEYPZNH-WCQYABFASA-N 1 1 249.314 1.812 20 5 BDBDMO [NH3+]C[C@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000089150477 357025996 /nfs/dbraw/zinc/02/59/96/357025996.db2.gz FTDSNRCVHUJMBJ-ZYHUDNBSSA-N 1 1 249.314 1.812 20 5 BDBDMO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352224232 535388647 /nfs/dbraw/zinc/38/86/47/535388647.db2.gz ZZAHTGOJZHUDPD-MRVPVSSYSA-N 1 1 244.316 1.859 20 5 BDBDMO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352224232 535388652 /nfs/dbraw/zinc/38/86/52/535388652.db2.gz ZZAHTGOJZHUDPD-MRVPVSSYSA-N 1 1 244.316 1.859 20 5 BDBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000054128156 359398207 /nfs/dbraw/zinc/39/82/07/359398207.db2.gz VPQCSGYZDHFCAL-UHFFFAOYSA-N 1 1 238.291 1.742 20 5 BDBDMO CN(CCC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000123288101 369849284 /nfs/dbraw/zinc/84/92/84/369849284.db2.gz XJYJEPQLBVFQPH-UHFFFAOYSA-N 1 1 237.303 1.418 20 5 BDBDMO COCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601099205 371726336 /nfs/dbraw/zinc/72/63/36/371726336.db2.gz YOMIHQQMQZJUCQ-UHFFFAOYSA-N 1 1 247.254 1.623 20 5 BDBDMO CC[NH+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602427408 371803598 /nfs/dbraw/zinc/80/35/98/371803598.db2.gz GXRPIMFTWJAPBW-UHFFFAOYSA-N 1 1 212.253 1.170 20 5 BDBDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602647408 371826053 /nfs/dbraw/zinc/82/60/53/371826053.db2.gz IHVZHMVSVLRVBY-HTQZYQBOSA-N 1 1 224.264 1.311 20 5 BDBDMO C[C@@](CO)([NH2+]CCF)c1cccc([N+](=O)[O-])c1 ZINC000602961768 371859438 /nfs/dbraw/zinc/85/94/38/371859438.db2.gz CMWGJVUNUAJNSF-NSHDSACASA-N 1 1 242.250 1.361 20 5 BDBDMO Cc1[nH+]cn(Cc2cn(C)nc2[N+](=O)[O-])c1C ZINC000602788842 371840111 /nfs/dbraw/zinc/84/01/11/371840111.db2.gz VUFWWDAJVOGDGO-UHFFFAOYSA-N 1 1 235.247 1.190 20 5 BDBDMO CC[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603835922 371933184 /nfs/dbraw/zinc/93/31/84/371933184.db2.gz QOZDDYCJLQECKB-UHFFFAOYSA-N 1 1 236.275 1.132 20 5 BDBDMO CC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171646775 372718090 /nfs/dbraw/zinc/71/80/90/372718090.db2.gz HKXXQMKPUZGJRL-LLVKDONJSA-N 1 1 238.287 1.798 20 5 BDBDMO CCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331044681 169080140 /nfs/dbraw/zinc/08/01/40/169080140.db2.gz FIOPLGJKNQEBBG-UHFFFAOYSA-N 1 1 212.253 1.170 20 5 BDBDMO CCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331044681 169080142 /nfs/dbraw/zinc/08/01/42/169080142.db2.gz FIOPLGJKNQEBBG-UHFFFAOYSA-N 1 1 212.253 1.170 20 5 BDBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000075776777 384338661 /nfs/dbraw/zinc/33/86/61/384338661.db2.gz YQIMERVFKQMCHB-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO C[N@@H+](CCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285194060 384389497 /nfs/dbraw/zinc/38/94/97/384389497.db2.gz CPAWUTJZLAWKCJ-UHFFFAOYSA-N 1 1 238.287 1.452 20 5 BDBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000565168647 384617065 /nfs/dbraw/zinc/61/70/65/384617065.db2.gz AHQPZNYAECSGIL-UHFFFAOYSA-N 1 1 240.307 1.949 20 5 BDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCO ZINC000049633766 384679735 /nfs/dbraw/zinc/67/97/35/384679735.db2.gz DZIYIBCQULQCLV-UHFFFAOYSA-N 1 1 240.259 1.028 20 5 BDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCO ZINC000049633766 384679739 /nfs/dbraw/zinc/67/97/39/384679739.db2.gz DZIYIBCQULQCLV-UHFFFAOYSA-N 1 1 240.259 1.028 20 5 BDBDMO Cc1ccc(CN[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414881214 385991951 /nfs/dbraw/zinc/99/19/51/385991951.db2.gz KSKXDCBTXZZICW-SNVBAGLBSA-N 1 1 237.303 1.730 20 5 BDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000246287038 388442548 /nfs/dbraw/zinc/44/25/48/388442548.db2.gz AFAOFKSTHYSENB-ZJUUUORDSA-N 1 1 238.291 1.522 20 5 BDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCO ZINC000272377045 388419333 /nfs/dbraw/zinc/41/93/33/388419333.db2.gz VJBYCVNYDWQUEY-JTQLQIEISA-N 1 1 238.287 1.888 20 5 BDBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cncnc2)cc1 ZINC000054767896 388596689 /nfs/dbraw/zinc/59/66/89/388596689.db2.gz XZVOYZINDJAGPX-UHFFFAOYSA-N 1 1 244.254 1.675 20 5 BDBDMO N[C@@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423018561 388686779 /nfs/dbraw/zinc/68/67/79/388686779.db2.gz ZGBDBFLQJLARSG-CHWSQXEVSA-N 1 1 249.314 1.607 20 5 BDBDMO [NH3+][C@@H]1CCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423018561 388686781 /nfs/dbraw/zinc/68/67/81/388686781.db2.gz ZGBDBFLQJLARSG-CHWSQXEVSA-N 1 1 249.314 1.607 20 5 BDBDMO CC[C@H](CO)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000449375837 388748578 /nfs/dbraw/zinc/74/85/78/388748578.db2.gz JOLPOWLMBHVZTE-SECBINFHSA-N 1 1 244.316 1.859 20 5 BDBDMO CC[C@H](CO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000449375837 388748580 /nfs/dbraw/zinc/74/85/80/388748580.db2.gz JOLPOWLMBHVZTE-SECBINFHSA-N 1 1 244.316 1.859 20 5 BDBDMO C[C@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774753 388754802 /nfs/dbraw/zinc/75/48/02/388754802.db2.gz PHXSYRYUNFEBDG-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO CC[C@@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000356834849 411504201 /nfs/dbraw/zinc/50/42/01/411504201.db2.gz GXRRGKVACIRTTH-MRVPVSSYSA-N 1 1 226.280 1.559 20 5 BDBDMO CC[C@@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000356834849 411504203 /nfs/dbraw/zinc/50/42/03/411504203.db2.gz GXRRGKVACIRTTH-MRVPVSSYSA-N 1 1 226.280 1.559 20 5 BDBDMO CC[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000125697011 171010765 /nfs/dbraw/zinc/01/07/65/171010765.db2.gz XHRAIKCTXPSZFN-SNVBAGLBSA-N 1 1 238.291 1.523 20 5 BDBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000177879448 176171907 /nfs/dbraw/zinc/17/19/07/176171907.db2.gz AHDFZKVXOGPBML-NXEZZACHSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353602851 176266569 /nfs/dbraw/zinc/26/65/69/176266569.db2.gz FILXQKOAYPNTEP-LLVKDONJSA-N 1 1 249.314 1.731 20 5 BDBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000332737650 177336812 /nfs/dbraw/zinc/33/68/12/177336812.db2.gz XCKPYKAGAPFASO-IONNQARKSA-N 1 1 242.300 1.611 20 5 BDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000332737650 177336813 /nfs/dbraw/zinc/33/68/13/177336813.db2.gz XCKPYKAGAPFASO-IONNQARKSA-N 1 1 242.300 1.611 20 5 BDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929676 177373615 /nfs/dbraw/zinc/37/36/15/177373615.db2.gz RTSMGQDBGYCPJR-CABZTGNLSA-N 1 1 236.271 1.550 20 5 BDBDMO C[N@H+]1C[C@@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893940407 583254545 /nfs/dbraw/zinc/25/45/45/583254545.db2.gz OHWMBLKFPAERRD-GXSJLCMTSA-N 1 1 248.286 1.130 20 5 BDBDMO C[N@H+]1C[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000893941708 583255419 /nfs/dbraw/zinc/25/54/19/583255419.db2.gz VORIBYADGCBUAV-MFKMUULPSA-N 1 1 247.298 1.735 20 5 BDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000893940779 583255466 /nfs/dbraw/zinc/25/54/66/583255466.db2.gz QBFYRGOZOXSOBW-GWCFXTLKSA-N 1 1 247.298 1.735 20 5 BDBDMO CN(CC[C@H]1CCCC[N@H+]1C)CC[N+](=O)[O-] ZINC000791051632 583383852 /nfs/dbraw/zinc/38/38/52/583383852.db2.gz HFXOBLSTUDNJGW-LLVKDONJSA-N 1 1 229.324 1.069 20 5 BDBDMO COc1ccc(C[N@H+](C)CC[N+](=O)[O-])cc1C ZINC000791053001 583385613 /nfs/dbraw/zinc/38/56/13/583385613.db2.gz RIIXXLLCANMMNC-UHFFFAOYSA-N 1 1 238.287 1.712 20 5 BDBDMO COc1ccc(C[N@@H+](C)CC[N+](=O)[O-])cc1C ZINC000791053001 583385616 /nfs/dbraw/zinc/38/56/16/583385616.db2.gz RIIXXLLCANMMNC-UHFFFAOYSA-N 1 1 238.287 1.712 20 5 BDBDMO C[C@H]1C[N@H+](CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000791053016 583385757 /nfs/dbraw/zinc/38/57/57/583385757.db2.gz RVOSFJAIOZJQIA-JQWIXIFHSA-N 1 1 220.272 1.956 20 5 BDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000791053016 583385760 /nfs/dbraw/zinc/38/57/60/583385760.db2.gz RVOSFJAIOZJQIA-JQWIXIFHSA-N 1 1 220.272 1.956 20 5 BDBDMO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c[nH]cn1 ZINC000894300491 583415060 /nfs/dbraw/zinc/41/50/60/583415060.db2.gz ULWUZRQLKCGVNB-UHFFFAOYSA-N 1 1 246.270 1.650 20 5 BDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC000894882011 583544318 /nfs/dbraw/zinc/54/43/18/583544318.db2.gz QTPQHVWLKXNIKK-BETUJISGSA-N 1 1 247.298 1.878 20 5 BDBDMO CC1=NO[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000895310854 583646903 /nfs/dbraw/zinc/64/69/03/583646903.db2.gz KLFCBTXDKHEEPY-NSHDSACASA-N 1 1 249.270 1.849 20 5 BDBDMO CSCCC[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000799162492 583957588 /nfs/dbraw/zinc/95/75/88/583957588.db2.gz VLRHCRLMDNVKRT-UHFFFAOYSA-N 1 1 244.320 1.434 20 5 BDBDMO CSCCC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000799162492 583957589 /nfs/dbraw/zinc/95/75/89/583957589.db2.gz VLRHCRLMDNVKRT-UHFFFAOYSA-N 1 1 244.320 1.434 20 5 BDBDMO COc1ccc(C[NH2+]CC[N+](=O)[O-])cc1F ZINC000899866086 584245390 /nfs/dbraw/zinc/24/53/90/584245390.db2.gz LKPUOCMYCPVNTH-UHFFFAOYSA-N 1 1 228.223 1.201 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000899888043 584247817 /nfs/dbraw/zinc/24/78/17/584247817.db2.gz XYEJUVSQXCEDGP-WDEREUQCSA-N 1 1 210.277 1.384 20 5 BDBDMO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000761076098 584908942 /nfs/dbraw/zinc/90/89/42/584908942.db2.gz HWNSWHRWBVPBLQ-LLVKDONJSA-N 1 1 249.314 1.731 20 5 BDBDMO C[N@H+](CCOc1ccccc1F)CC[N+](=O)[O-] ZINC000791053119 585973116 /nfs/dbraw/zinc/97/31/16/585973116.db2.gz IFWAMILVEZXKSM-UHFFFAOYSA-N 1 1 242.250 1.413 20 5 BDBDMO C[N@@H+](CCOc1ccccc1F)CC[N+](=O)[O-] ZINC000791053119 585973117 /nfs/dbraw/zinc/97/31/17/585973117.db2.gz IFWAMILVEZXKSM-UHFFFAOYSA-N 1 1 242.250 1.413 20 5 BDBDMO CC[N@H+](CC1CCC1)Cn1nccc1[N+](=O)[O-] ZINC000794687334 586046672 /nfs/dbraw/zinc/04/66/72/586046672.db2.gz HHNDTAJTTZZNOD-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[N@@H+](CC1CCC1)Cn1nccc1[N+](=O)[O-] ZINC000794687334 586046673 /nfs/dbraw/zinc/04/66/73/586046673.db2.gz HHNDTAJTTZZNOD-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@@H]([NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823234907 587210414 /nfs/dbraw/zinc/21/04/14/587210414.db2.gz MNBGJEUQGPOUDI-SSDOTTSWSA-N 1 1 242.279 1.467 20 5 BDBDMO CC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000878659960 590604356 /nfs/dbraw/zinc/60/43/56/590604356.db2.gz NHNPVEXIMZWABT-VIFPVBQESA-N 1 1 222.244 1.834 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC=C[C@H]2CO)cc1 ZINC000880485766 591060650 /nfs/dbraw/zinc/06/06/50/591060650.db2.gz KUKBGNIHGUEAPT-LBPRGKRZSA-N 1 1 234.255 1.328 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C[C@H]2CO)cc1 ZINC000880485766 591060652 /nfs/dbraw/zinc/06/06/52/591060652.db2.gz KUKBGNIHGUEAPT-LBPRGKRZSA-N 1 1 234.255 1.328 20 5 BDBDMO C[N@H+](CCCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886166247 592168106 /nfs/dbraw/zinc/16/81/06/592168106.db2.gz CRLCYWDWIVBFMN-UHFFFAOYSA-N 1 1 239.275 1.194 20 5 BDBDMO C[N@@H+](CCCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886166247 592168108 /nfs/dbraw/zinc/16/81/08/592168108.db2.gz CRLCYWDWIVBFMN-UHFFFAOYSA-N 1 1 239.275 1.194 20 5 BDBDMO C[N@@H+](CCCF)CCn1cc([N+](=O)[O-])cn1 ZINC000887139022 592455850 /nfs/dbraw/zinc/45/58/50/592455850.db2.gz WRRANHGQIFDKFH-UHFFFAOYSA-N 1 1 230.243 1.083 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCF ZINC000887143962 592460657 /nfs/dbraw/zinc/46/06/57/592460657.db2.gz VYCQQHZHFGOLAM-UHFFFAOYSA-N 1 1 244.270 1.391 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2CO)cc1 ZINC000934023788 631624585 /nfs/dbraw/zinc/62/45/85/631624585.db2.gz LQIUWKIEWPBWEE-NSHDSACASA-N 1 1 222.244 1.161 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2CO)cc1 ZINC000934023788 631624586 /nfs/dbraw/zinc/62/45/86/631624586.db2.gz LQIUWKIEWPBWEE-NSHDSACASA-N 1 1 222.244 1.161 20 5 BDBDMO CC[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000048346900 635839681 /nfs/dbraw/zinc/83/96/81/635839681.db2.gz XTLHKJUDEOKXKG-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO CC[N@@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000048346900 635839684 /nfs/dbraw/zinc/83/96/84/635839684.db2.gz XTLHKJUDEOKXKG-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000899887420 637149561 /nfs/dbraw/zinc/14/95/61/637149561.db2.gz SXYGKVOBDWAVFA-LLVKDONJSA-N 1 1 240.303 1.154 20 5 BDBDMO COc1nc(C)cc(C)c1C[NH2+]CC[N+](=O)[O-] ZINC000905090427 637587574 /nfs/dbraw/zinc/58/75/74/637587574.db2.gz VFOZKJDMFRNGFF-UHFFFAOYSA-N 1 1 239.275 1.073 20 5 BDBDMO COc1cc(Cl)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905101577 637611565 /nfs/dbraw/zinc/61/15/65/637611565.db2.gz LPVYBOYUTMYDMS-UHFFFAOYSA-N 1 1 244.678 1.715 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@H]1CSc2ccccc21 ZINC000905126773 637642464 /nfs/dbraw/zinc/64/24/64/637642464.db2.gz HJOZBWOEGVJIFA-VIFPVBQESA-N 1 1 224.285 1.700 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000905232319 637692381 /nfs/dbraw/zinc/69/23/81/637692381.db2.gz NADBXXIBVHEPLF-UHFFFAOYSA-N 1 1 235.287 1.327 20 5 BDBDMO COc1ccc(F)cc1C[NH2+]CC[N+](=O)[O-] ZINC000905218250 637699389 /nfs/dbraw/zinc/69/93/89/637699389.db2.gz MKOYXRRPJIUZCM-UHFFFAOYSA-N 1 1 228.223 1.201 20 5 BDBDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905260884 637715246 /nfs/dbraw/zinc/71/52/46/637715246.db2.gz OVNNOWWMLWTLME-GZMMTYOYSA-N 1 1 222.244 1.375 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000905275869 637733159 /nfs/dbraw/zinc/73/31/59/637733159.db2.gz YWDBTLWTXMRREV-UHFFFAOYSA-N 1 1 249.192 1.467 20 5 BDBDMO Cc1ccc(C[NH2+]CC[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000905405911 637796935 /nfs/dbraw/zinc/79/69/35/637796935.db2.gz WILJPHSJNLJIEX-UHFFFAOYSA-N 1 1 239.231 1.270 20 5 BDBDMO C[C@H]1CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905975247 637991951 /nfs/dbraw/zinc/99/19/51/637991951.db2.gz PYNMUXPDVVKSHW-JOYOIKCWSA-N 1 1 236.271 1.722 20 5 BDBDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930221556 639640228 /nfs/dbraw/zinc/64/02/28/639640228.db2.gz JETUQABBZSBGIT-ZCFIWIBFSA-N 1 1 213.237 1.219 20 5 BDBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CCC1(F)F ZINC000930513022 639793385 /nfs/dbraw/zinc/79/33/85/639793385.db2.gz UICCEAORRQWRHD-SSDOTTSWSA-N 1 1 208.208 1.240 20 5 BDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CCC1(F)F 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O=[N+]([O-])CC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000931536368 640261582 /nfs/dbraw/zinc/26/15/82/640261582.db2.gz JUGNMTOGDWBPON-LBPRGKRZSA-N 1 1 242.319 1.687 20 5 BDBDMO Cc1ccccc1[C@H](CO)[N@H+](C)CC[N+](=O)[O-] ZINC000931743880 640343872 /nfs/dbraw/zinc/34/38/72/640343872.db2.gz JKZYUWMHVQPXQL-LBPRGKRZSA-N 1 1 238.287 1.237 20 5 BDBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CC[N+](=O)[O-] ZINC000931743880 640343877 /nfs/dbraw/zinc/34/38/77/640343877.db2.gz JKZYUWMHVQPXQL-LBPRGKRZSA-N 1 1 238.287 1.237 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932385540 640502153 /nfs/dbraw/zinc/50/21/53/640502153.db2.gz JBCOQWJFYRSYIS-LLVKDONJSA-N 1 1 221.260 1.399 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934833508 641283786 /nfs/dbraw/zinc/28/37/86/641283786.db2.gz XKBOWQZHMFEGDE-RYUDHWBXSA-N 1 1 242.319 1.402 20 5 BDBDMO CC(C)C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929761133 641487710 /nfs/dbraw/zinc/48/77/10/641487710.db2.gz AGOJXCLQUYMYIG-JTQLQIEISA-N 1 1 200.282 1.631 20 5 BDBDMO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000174960019 642642216 /nfs/dbraw/zinc/64/22/16/642642216.db2.gz JNBBFXSYUPBCQL-DTWKUNHWSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000174960019 642642221 /nfs/dbraw/zinc/64/22/21/642642221.db2.gz JNBBFXSYUPBCQL-DTWKUNHWSA-N 1 1 224.264 1.479 20 5 BDBDMO Cc1ccccc1C[N@H+](C)CC[N+](=O)[O-] ZINC000929121217 645955227 /nfs/dbraw/zinc/95/52/27/645955227.db2.gz IZXPXAUDPNTNJY-UHFFFAOYSA-N 1 1 208.261 1.704 20 5 BDBDMO Cc1ccccc1C[N@@H+](C)CC[N+](=O)[O-] ZINC000929121217 645955232 /nfs/dbraw/zinc/95/52/32/645955232.db2.gz IZXPXAUDPNTNJY-UHFFFAOYSA-N 1 1 208.261 1.704 20 5 BDBDMO CCC(CC)[N@@H+](CCOC)CC[N+](=O)[O-] ZINC000929504537 646156820 /nfs/dbraw/zinc/15/68/20/646156820.db2.gz PSAWPVXFHPLEHQ-UHFFFAOYSA-N 1 1 218.297 1.400 20 5 BDBDMO CCCO[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000929603085 646194729 /nfs/dbraw/zinc/19/47/29/646194729.db2.gz BUHMIKCSRGXHSV-LLVKDONJSA-N 1 1 230.308 1.544 20 5 BDBDMO CC(C)[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929669228 646232661 /nfs/dbraw/zinc/23/26/61/646232661.db2.gz UCZVZEMBKXTMMM-JTQLQIEISA-N 1 1 200.282 1.774 20 5 BDBDMO Cc1cc(C2CC[NH+](CC[N+](=O)[O-])CC2)n[nH]1 ZINC000930172376 646472326 /nfs/dbraw/zinc/47/23/26/646472326.db2.gz CDCDJKUGMGVJNC-UHFFFAOYSA-N 1 1 238.291 1.174 20 5 BDBDMO Cc1cc(C2CC[NH+](CC[N+](=O)[O-])CC2)[nH]n1 ZINC000930172376 646472329 /nfs/dbraw/zinc/47/23/29/646472329.db2.gz CDCDJKUGMGVJNC-UHFFFAOYSA-N 1 1 238.291 1.174 20 5 BDBDMO CCC[N@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000171602868 711839545 /nfs/dbraw/zinc/83/95/45/711839545.db2.gz JUIDDBMMVZETHG-UHFFFAOYSA-N 1 1 224.264 1.623 20 5 BDBDMO CCC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000171602868 711839547 /nfs/dbraw/zinc/83/95/47/711839547.db2.gz JUIDDBMMVZETHG-UHFFFAOYSA-N 1 1 224.264 1.623 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])C1CCCCCC1 ZINC000791053803 712422244 /nfs/dbraw/zinc/42/22/44/712422244.db2.gz PRQYUNTXJSSOOT-UHFFFAOYSA-N 1 1 200.282 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CN1CC[C@H]([N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037140 969357841 /nfs/dbraw/zinc/35/78/41/969357841.db2.gz QXXFDTZQCJDHCV-TUAOUCFPSA-N 1 1 241.335 1.068 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOCC23CC3)C1 ZINC001169040054 969358822 /nfs/dbraw/zinc/35/88/22/969358822.db2.gz XHCYDSOFLSBIBC-GHMZBOCLSA-N 1 1 240.303 1.297 20 5 BDBDMO O=C1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169021009 969361190 /nfs/dbraw/zinc/36/11/90/969361190.db2.gz NECWRFHFADIJHN-WDEREUQCSA-N 1 1 240.303 1.487 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001169024433 969366667 /nfs/dbraw/zinc/36/66/67/969366667.db2.gz HAYYLLRBQLTWTB-UHFZAUJKSA-N 1 1 242.294 1.864 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053892 969372401 /nfs/dbraw/zinc/37/24/01/969372401.db2.gz JZCNXSPKJXRHOK-NNYUYHANSA-N 1 1 240.303 1.295 20 5 BDBDMO C[N@H+]1CCC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593760 974579199 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ZINC001333461160 975797842 /nfs/dbraw/zinc/79/78/42/975797842.db2.gz KXXCTOAPHZJCLM-UHFFFAOYSA-N 1 1 220.272 1.630 20 5 BDBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC[N+](=O)[O-])C1 ZINC001334069145 976265639 /nfs/dbraw/zinc/26/56/39/976265639.db2.gz DXNDBVGWYALMLY-PWSUYJOCSA-N 1 1 235.287 1.741 20 5 BDBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC[N+](=O)[O-])C1 ZINC001334069145 976265655 /nfs/dbraw/zinc/26/56/55/976265655.db2.gz DXNDBVGWYALMLY-PWSUYJOCSA-N 1 1 235.287 1.741 20 5 BDBDMO CC(C)[N@@H+](C)CCNc1c([N+](=O)[O-])cnn1C ZINC001334139698 976328919 /nfs/dbraw/zinc/32/89/19/976328919.db2.gz FLOMKYVYXSTADC-UHFFFAOYSA-N 1 1 241.295 1.080 20 5 BDBDMO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(=O)cc1Cl ZINC001233591113 978639104 /nfs/dbraw/zinc/63/91/04/978639104.db2.gz VWIZJJCQRWTDIX-SSDOTTSWSA-O 1 1 246.718 1.309 20 5 BDBDMO Nc1cc[nH+]c(CNc2cccnc2[N+](=O)[O-])c1 ZINC001580462111 986862590 /nfs/dbraw/zinc/86/25/90/986862590.db2.gz CKDFKIFIMSCQBN-UHFFFAOYSA-N 1 1 245.242 1.579 20 5 BDBDMO C[C@H]1CC[C@@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC001119805217 989413302 /nfs/dbraw/zinc/41/33/02/989413302.db2.gz GVJKIHQPJBOJJI-WDEREUQCSA-N 1 1 212.293 1.775 20 5 BDBDMO C[C@@]([NH3+])(C(=O)N1CCC1)c1cccc([N+](=O)[O-])c1 ZINC001576080710 993173278 /nfs/dbraw/zinc/17/32/78/993173278.db2.gz GNTBIQMNKLAPAO-LBPRGKRZSA-N 1 1 249.270 1.001 20 5 BDBDMO Cc1noc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000595813268 348352886 /nfs/dbraw/zinc/35/28/86/348352886.db2.gz ZMEKGMOYLVZPNX-IUCAKERBSA-N 1 1 237.259 1.733 20 5 BDBDMO Cc1noc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000595813268 348352890 /nfs/dbraw/zinc/35/28/90/348352890.db2.gz ZMEKGMOYLVZPNX-IUCAKERBSA-N 1 1 237.259 1.733 20 5 BDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCO ZINC000050508338 350349672 /nfs/dbraw/zinc/34/96/72/350349672.db2.gz XTHSZLXZMGFMKN-JTQLQIEISA-N 1 1 238.287 1.970 20 5 BDBDMO O=[N+]([O-])c1cccc(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000129227742 351008940 /nfs/dbraw/zinc/00/89/40/351008940.db2.gz OEFUYJMXXLVUGZ-GFCCVEGCSA-N 1 1 249.314 1.827 20 5 BDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)C1 ZINC000072634576 351327990 /nfs/dbraw/zinc/32/79/90/351327990.db2.gz OHIDJZQBIRLFKQ-VHSXEESVSA-N 1 1 236.271 1.722 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421020932 192306802 /nfs/dbraw/zinc/30/68/02/192306802.db2.gz ODFXIFHDANQHFJ-ZDUSSCGKSA-N 1 1 248.282 1.960 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421020932 192306804 /nfs/dbraw/zinc/30/68/04/192306804.db2.gz ODFXIFHDANQHFJ-ZDUSSCGKSA-N 1 1 248.282 1.960 20 5 BDBDMO CC[C@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176226715 134289787 /nfs/dbraw/zinc/28/97/87/134289787.db2.gz WVGPVFDVJDJSHM-VIFPVBQESA-N 1 1 226.280 1.522 20 5 BDBDMO C[NH+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578453434 366573250 /nfs/dbraw/zinc/57/32/50/366573250.db2.gz SNIWJNOWBDBDEU-GFCCVEGCSA-N 1 1 249.314 1.733 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CCCC1 ZINC000020127024 371232363 /nfs/dbraw/zinc/23/23/63/371232363.db2.gz HSJOZHRTUBTTEU-UHFFFAOYSA-N 1 1 249.314 1.780 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)[C@H]1C ZINC000602832749 371845916 /nfs/dbraw/zinc/84/59/16/371845916.db2.gz QVGZMLDWWLPOEQ-RKDXNWHRSA-N 1 1 238.291 1.440 20 5 BDBDMO CC[C@H](C)[N@@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602885390 371852210 /nfs/dbraw/zinc/85/22/10/371852210.db2.gz VHILDTVHNQXFHR-VIFPVBQESA-N 1 1 240.307 1.949 20 5 BDBDMO Cn1cc(C[NH+](C2CC2)C2CC2)c([N+](=O)[O-])n1 ZINC000602914257 371855196 /nfs/dbraw/zinc/85/51/96/371855196.db2.gz CVXGJOPBKVCJMI-UHFFFAOYSA-N 1 1 236.275 1.455 20 5 BDBDMO Cn1cc(C[N@H+]2CC3CC2(C)C3)c([N+](=O)[O-])n1 ZINC000602903384 371855225 /nfs/dbraw/zinc/85/52/25/371855225.db2.gz RWMINAXFJVAXOJ-UHFFFAOYSA-N 1 1 236.275 1.313 20 5 BDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603086702 371866756 /nfs/dbraw/zinc/86/67/56/371866756.db2.gz ICGJPWZTIPIUEF-DGCLKSJQSA-N 1 1 248.282 1.204 20 5 BDBDMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000604408791 371974435 /nfs/dbraw/zinc/97/44/35/371974435.db2.gz OHVMSAAGKJZSCJ-UHFFFAOYSA-N 1 1 241.316 1.798 20 5 BDBDMO CC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000135417279 384045264 /nfs/dbraw/zinc/04/52/64/384045264.db2.gz NAEVOKGTTYRBNF-UHFFFAOYSA-N 1 1 238.287 1.799 20 5 BDBDMO C[C@@H](C[NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000310496904 384179047 /nfs/dbraw/zinc/17/90/47/384179047.db2.gz ILCKLVWAURJUPZ-UWVGGRQHSA-N 1 1 237.303 1.840 20 5 BDBDMO CCCC[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610656498 384195393 /nfs/dbraw/zinc/19/53/93/384195393.db2.gz RODOGFRGGMDPPJ-UHFFFAOYSA-N 1 1 240.307 1.832 20 5 BDBDMO C[C@@H]([NH3+])C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000422951127 384487446 /nfs/dbraw/zinc/48/74/46/384487446.db2.gz XQSMGDUBONRKBA-ZJUUUORDSA-N 1 1 237.303 1.810 20 5 BDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)cn1 ZINC000338713302 385269978 /nfs/dbraw/zinc/26/99/78/385269978.db2.gz QCBFMELTNBKVFQ-UHFFFAOYSA-N 1 1 248.286 1.664 20 5 BDBDMO C[C@@H](C[NH3+])CNCc1ccc([N+](=O)[O-])cc1 ZINC000336681903 385642589 /nfs/dbraw/zinc/64/25/89/385642589.db2.gz RVHOJNGZEQUYSQ-VIFPVBQESA-N 1 1 223.276 1.279 20 5 BDBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)O ZINC000304147733 385855528 /nfs/dbraw/zinc/85/55/28/385855528.db2.gz XXRLYVGPTCTNHI-UHFFFAOYSA-N 1 1 244.316 1.859 20 5 BDBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)O ZINC000304147733 385855533 /nfs/dbraw/zinc/85/55/33/385855533.db2.gz XXRLYVGPTCTNHI-UHFFFAOYSA-N 1 1 244.316 1.859 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC23CCC3)n1 ZINC000357937441 386202195 /nfs/dbraw/zinc/20/21/95/386202195.db2.gz WQGLVNIEGYBQSW-UHFFFAOYSA-N 1 1 236.275 1.420 20 5 BDBDMO C[C@H](NCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037713517 388586769 /nfs/dbraw/zinc/58/67/69/388586769.db2.gz NSTISNMYMDXZKN-VIFPVBQESA-N 1 1 223.276 1.594 20 5 BDBDMO C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268794 388689303 /nfs/dbraw/zinc/68/93/03/388689303.db2.gz DYRKTWCAZIMZPY-ZANVPECISA-N 1 1 249.314 1.983 20 5 BDBDMO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000330640740 388759459 /nfs/dbraw/zinc/75/94/59/388759459.db2.gz HYSUUWBOBOJJPT-PSASIEDQSA-N 1 1 249.270 1.134 20 5 BDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000332426441 388789090 /nfs/dbraw/zinc/78/90/90/388789090.db2.gz FJZXMJSLUXYUMX-UHFFFAOYSA-N 1 1 236.271 1.550 20 5 BDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000489424513 411581712 /nfs/dbraw/zinc/58/17/12/411581712.db2.gz LDMXNVGJIXXLML-SNVBAGLBSA-N 1 1 238.291 1.522 20 5 BDBDMO C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000193859101 173033784 /nfs/dbraw/zinc/03/37/84/173033784.db2.gz MHQHENXRPUEWCF-SSDOTTSWSA-N 1 1 242.304 1.557 20 5 BDBDMO C[NH2+]Cc1noc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000051848794 173398603 /nfs/dbraw/zinc/39/86/03/173398603.db2.gz RMTJTOUDHBUTHR-UHFFFAOYSA-N 1 1 248.242 1.673 20 5 BDBDMO COCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000271034306 174280729 /nfs/dbraw/zinc/28/07/29/174280729.db2.gz IJYMMKGROIVJRM-UHFFFAOYSA-N 1 1 238.287 1.981 20 5 BDBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000177879463 177162477 /nfs/dbraw/zinc/16/24/77/177162477.db2.gz AHDFZKVXOGPBML-VHSXEESVSA-N 1 1 238.291 1.522 20 5 BDBDMO COC[C@H]1CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000293505534 487555286 /nfs/dbraw/zinc/55/52/86/487555286.db2.gz HQFMFBFEKVAOAV-GFCCVEGCSA-N 1 1 236.271 1.816 20 5 BDBDMO COC[C@H]1CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000293505534 487555278 /nfs/dbraw/zinc/55/52/78/487555278.db2.gz HQFMFBFEKVAOAV-GFCCVEGCSA-N 1 1 236.271 1.816 20 5 BDBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000893934581 583252551 /nfs/dbraw/zinc/25/25/51/583252551.db2.gz IDNMCALKBJNFIO-MWLCHTKSSA-N 1 1 248.286 1.130 20 5 BDBDMO O=[N+]([O-])c1cccnc1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894995032 583565755 /nfs/dbraw/zinc/56/57/55/583565755.db2.gz JIBKTYGBPJGXMP-QMMMGPOBSA-N 1 1 245.242 1.223 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000895771454 583725421 /nfs/dbraw/zinc/72/54/21/583725421.db2.gz ZPYUQLCMZUSYAC-ZETCQYMHSA-N 1 1 227.289 1.772 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000895771454 583725422 /nfs/dbraw/zinc/72/54/22/583725422.db2.gz ZPYUQLCMZUSYAC-ZETCQYMHSA-N 1 1 227.289 1.772 20 5 BDBDMO C[C@@H](CNCC[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000899870320 584244487 /nfs/dbraw/zinc/24/44/87/584244487.db2.gz MHBYKBFRWHUNAY-QWRGUYRKSA-N 1 1 229.324 1.116 20 5 BDBDMO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000899870320 584244488 /nfs/dbraw/zinc/24/44/88/584244488.db2.gz MHBYKBFRWHUNAY-QWRGUYRKSA-N 1 1 229.324 1.116 20 5 BDBDMO C[C@H](CNCC[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000899870321 584244772 /nfs/dbraw/zinc/24/47/72/584244772.db2.gz MHBYKBFRWHUNAY-WDEREUQCSA-N 1 1 229.324 1.116 20 5 BDBDMO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000899870321 584244773 /nfs/dbraw/zinc/24/47/73/584244773.db2.gz MHBYKBFRWHUNAY-WDEREUQCSA-N 1 1 229.324 1.116 20 5 BDBDMO COc1ccc(OC)c(C[NH2+]CC[N+](=O)[O-])c1 ZINC000899865183 584245020 /nfs/dbraw/zinc/24/50/20/584245020.db2.gz CVBNTBXIOXEAOY-UHFFFAOYSA-N 1 1 240.259 1.070 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000899888042 584247374 /nfs/dbraw/zinc/24/73/74/584247374.db2.gz XYEJUVSQXCEDGP-QWRGUYRKSA-N 1 1 210.277 1.384 20 5 BDBDMO CC[N@@H+](CCC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000760537108 585393940 /nfs/dbraw/zinc/39/39/40/585393940.db2.gz BKEWRGPAQPXPER-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CC[N+](=O)[O-] ZINC000787736121 585914923 /nfs/dbraw/zinc/91/49/23/585914923.db2.gz ILQNLGLDNOEBMW-LLVKDONJSA-N 1 1 230.308 1.136 20 5 BDBDMO C[N@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000791054220 585973097 /nfs/dbraw/zinc/97/30/97/585973097.db2.gz RURLMBLQIHQULY-UHFFFAOYSA-N 1 1 238.243 1.124 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000791054220 585973098 /nfs/dbraw/zinc/97/30/98/585973098.db2.gz RURLMBLQIHQULY-UHFFFAOYSA-N 1 1 238.243 1.124 20 5 BDBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813104204 586592580 /nfs/dbraw/zinc/59/25/80/586592580.db2.gz YABOUQXGMRJTIB-ZJUUUORDSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@H+]1CCCC[C@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813104204 586592581 /nfs/dbraw/zinc/59/25/81/586592581.db2.gz YABOUQXGMRJTIB-ZJUUUORDSA-N 1 1 244.291 1.069 20 5 BDBDMO C[C@H]([NH3+])CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000863568396 589299860 /nfs/dbraw/zinc/29/98/60/589299860.db2.gz KMJMNJYJGUPFKG-QMMMGPOBSA-N 1 1 239.275 1.079 20 5 BDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956791 592114764 /nfs/dbraw/zinc/11/47/64/592114764.db2.gz YQAJILZGAYRQKC-UHFFFAOYSA-N 1 1 207.233 1.584 20 5 BDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956791 592114766 /nfs/dbraw/zinc/11/47/66/592114766.db2.gz YQAJILZGAYRQKC-UHFFFAOYSA-N 1 1 207.233 1.584 20 5 BDBDMO C[C@H]1C[C@H](C)[NH+]1Cc1cccnc1[N+](=O)[O-] ZINC000886181830 592171934 /nfs/dbraw/zinc/17/19/34/592171934.db2.gz UUABYWQLRVZFGO-IUCAKERBSA-N 1 1 221.260 1.973 20 5 BDBDMO CO[C@@H](C)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886204908 592175821 /nfs/dbraw/zinc/17/58/21/592175821.db2.gz TWULQLGHGYDBNI-VIFPVBQESA-N 1 1 239.275 1.457 20 5 BDBDMO CO[C@@H](C)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886204908 592175823 /nfs/dbraw/zinc/17/58/23/592175823.db2.gz TWULQLGHGYDBNI-VIFPVBQESA-N 1 1 239.275 1.457 20 5 BDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886346477 592213557 /nfs/dbraw/zinc/21/35/57/592213557.db2.gz JNUDNBKZKHXBNL-LOWVWBTDSA-N 1 1 248.282 1.580 20 5 BDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]2CO)cc1 ZINC000934024325 631597304 /nfs/dbraw/zinc/59/73/04/631597304.db2.gz PWQSDFKHUJZDCM-LBPRGKRZSA-N 1 1 236.271 1.204 20 5 BDBDMO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000089150557 636412818 /nfs/dbraw/zinc/41/28/18/636412818.db2.gz OEXQERQRWKFIIZ-DGCLKSJQSA-N 1 1 249.314 1.812 20 5 BDBDMO NC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000904451676 637416471 /nfs/dbraw/zinc/41/64/71/637416471.db2.gz ZMHVNLBFRIHWME-HWKANZROSA-N 1 1 247.298 1.689 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@H]1CCCc2cccnc21 ZINC000905601495 637852261 /nfs/dbraw/zinc/85/22/61/637852261.db2.gz HLWRAWLVOJHVAB-JTQLQIEISA-N 1 1 221.260 1.325 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000930810007 639912737 /nfs/dbraw/zinc/91/27/37/639912737.db2.gz FEOMQZSVCQIYLM-MNOVXSKESA-N 1 1 228.292 1.154 20 5 BDBDMO Cc1ccc(C[N@H+](CC[N+](=O)[O-])CC2CC2)cn1 ZINC000930815498 639916959 /nfs/dbraw/zinc/91/69/59/639916959.db2.gz DAQWDBJGTSGIPL-UHFFFAOYSA-N 1 1 249.314 1.879 20 5 BDBDMO Cc1ccc(C[N@@H+](CC[N+](=O)[O-])CC2CC2)cn1 ZINC000930815498 639916965 /nfs/dbraw/zinc/91/69/65/639916965.db2.gz DAQWDBJGTSGIPL-UHFFFAOYSA-N 1 1 249.314 1.879 20 5 BDBDMO C[C@H]1CC2(C[N@H+]1CC[N+](=O)[O-])CCOCC2 ZINC000930823351 639924296 /nfs/dbraw/zinc/92/42/96/639924296.db2.gz ISPOCGHUOBUVSL-JTQLQIEISA-N 1 1 228.292 1.154 20 5 BDBDMO O=[N+]([O-])CC[NH+]1CCC(c2ccco2)CC1 ZINC000930923499 639990834 /nfs/dbraw/zinc/99/08/34/639990834.db2.gz IYLZJVIYARYMDI-UHFFFAOYSA-N 1 1 224.260 1.736 20 5 BDBDMO O=[N+]([O-])CC[NH+]1CCC(c2ccon2)CC1 ZINC000931059654 640046986 /nfs/dbraw/zinc/04/69/86/640046986.db2.gz PBMGUBGUMHZTBA-UHFFFAOYSA-N 1 1 225.248 1.131 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000931059681 640047471 /nfs/dbraw/zinc/04/74/71/640047471.db2.gz OCFQNDADXWTATJ-NSHDSACASA-N 1 1 212.293 1.775 20 5 BDBDMO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000159945359 641706706 /nfs/dbraw/zinc/70/67/06/641706706.db2.gz SSEJGHJYYUKWSP-ZJUUUORDSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000159945359 641706712 /nfs/dbraw/zinc/70/67/12/641706712.db2.gz SSEJGHJYYUKWSP-ZJUUUORDSA-N 1 1 238.291 1.727 20 5 BDBDMO C[N@H+](CCOC(C)(C)C)CC[N+](=O)[O-] ZINC000929857264 641789467 /nfs/dbraw/zinc/78/94/67/641789467.db2.gz ZEAKZKIJRFRJCR-UHFFFAOYSA-N 1 1 204.270 1.010 20 5 BDBDMO C[N@@H+](CCOC(C)(C)C)CC[N+](=O)[O-] ZINC000929857264 641789471 /nfs/dbraw/zinc/78/94/71/641789471.db2.gz ZEAKZKIJRFRJCR-UHFFFAOYSA-N 1 1 204.270 1.010 20 5 BDBDMO Cc1cn(Cc2cccnc2[N+](=O)[O-])c(C)[nH+]1 ZINC000917358959 642042781 /nfs/dbraw/zinc/04/27/81/642042781.db2.gz GXUOUIPDHJYKGB-UHFFFAOYSA-N 1 1 232.243 1.851 20 5 BDBDMO C[N@H+](CCCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000281494361 644128002 /nfs/dbraw/zinc/12/80/02/644128002.db2.gz AKJRTPWUQRGVRJ-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO C[N@@H+](CCCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000281494361 644128008 /nfs/dbraw/zinc/12/80/08/644128008.db2.gz AKJRTPWUQRGVRJ-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO [NH3+][C@H]1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000093215714 644681017 /nfs/dbraw/zinc/68/10/17/644681017.db2.gz DPPXWOVBOWINBR-NWDGAFQWSA-N 1 1 249.314 1.954 20 5 BDBDMO [NH3+][C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093214525 644681452 /nfs/dbraw/zinc/68/14/52/644681452.db2.gz BXFFISOIOKGPSW-VXGBXAGGSA-N 1 1 249.314 1.954 20 5 BDBDMO C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H]1C ZINC000841689308 645224219 /nfs/dbraw/zinc/22/42/19/645224219.db2.gz IZPBMHDKBQAXRJ-UTLUCORTSA-N 1 1 238.291 1.725 20 5 BDBDMO CC(C)C[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000929426341 646117332 /nfs/dbraw/zinc/11/73/32/646117332.db2.gz VYEGTGNYAGLCEY-SNVBAGLBSA-N 1 1 200.282 1.774 20 5 BDBDMO C[C@@H]1Cc2ccccc2C[N@@H+]1CC[N+](=O)[O-] ZINC000929709815 646263868 /nfs/dbraw/zinc/26/38/68/646263868.db2.gz VSPKVWHJRLOWMT-SNVBAGLBSA-N 1 1 220.272 1.710 20 5 BDBDMO C[C@@H]1Cc2ccccc2C[N@H+]1CC[N+](=O)[O-] ZINC000929709815 646263874 /nfs/dbraw/zinc/26/38/74/646263874.db2.gz VSPKVWHJRLOWMT-SNVBAGLBSA-N 1 1 220.272 1.710 20 5 BDBDMO C[N@@H+](CCc1cccs1)CC[N+](=O)[O-] ZINC000929732190 646277408 /nfs/dbraw/zinc/27/74/08/646277408.db2.gz YUGPQGBCUIYJPS-UHFFFAOYSA-N 1 1 214.290 1.499 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000929789068 646318482 /nfs/dbraw/zinc/31/84/82/646318482.db2.gz PSDFIRNGDWTDJF-LLVKDONJSA-N 1 1 206.245 1.710 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000929789068 646318488 /nfs/dbraw/zinc/31/84/88/646318488.db2.gz PSDFIRNGDWTDJF-LLVKDONJSA-N 1 1 206.245 1.710 20 5 BDBDMO CC[N@H+](CCc1ccccn1)CC[N+](=O)[O-] ZINC000929891135 646367411 /nfs/dbraw/zinc/36/74/11/646367411.db2.gz GIYQTROQAWYNSD-UHFFFAOYSA-N 1 1 223.276 1.223 20 5 BDBDMO CC[N@@H+](CCc1ccccn1)CC[N+](=O)[O-] ZINC000929891135 646367415 /nfs/dbraw/zinc/36/74/15/646367415.db2.gz GIYQTROQAWYNSD-UHFFFAOYSA-N 1 1 223.276 1.223 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000712593418 712435643 /nfs/dbraw/zinc/43/56/43/712435643.db2.gz DOYASLFSTMXMJY-VIFPVBQESA-N 1 1 222.248 1.106 20 5 BDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000712596129 712435773 /nfs/dbraw/zinc/43/57/73/712435773.db2.gz SZCCMIKTDXBJHT-SNVBAGLBSA-N 1 1 236.275 1.496 20 5 BDBDMO CC[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000712568738 712447264 /nfs/dbraw/zinc/44/72/64/712447264.db2.gz FGMWUBNXINESDO-ZETCQYMHSA-N 1 1 242.304 1.557 20 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/nfs/dbraw/zinc/33/11/81/969331181.db2.gz DTVWDJRRUCLGFX-OUAUKWLOSA-N 1 1 240.303 1.343 20 5 BDBDMO C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033938 969352568 /nfs/dbraw/zinc/35/25/68/969352568.db2.gz DVIKJJUTHFWSSK-NOOOWODRSA-N 1 1 242.319 1.277 20 5 BDBDMO CC[C@@H]1COCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039133 969356734 /nfs/dbraw/zinc/35/67/34/969356734.db2.gz NMWRUSJMLYYSNN-IJLUTSLNSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@H+]1CCCC[C@@H]1CO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224708323 973879675 /nfs/dbraw/zinc/87/96/75/973879675.db2.gz XHAQYDUDXMPZHR-VXGBXAGGSA-N 1 1 242.319 1.543 20 5 BDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000173520222 960352792 /nfs/dbraw/zinc/35/27/92/960352792.db2.gz HONARWPZEWOLAK-QMMMGPOBSA-N 1 1 238.291 1.850 20 5 BDBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000173520222 960352798 /nfs/dbraw/zinc/35/27/98/960352798.db2.gz HONARWPZEWOLAK-QMMMGPOBSA-N 1 1 238.291 1.850 20 5 BDBDMO C[NH+](C)/C=C/c1cc(N2CCC2)ncc1[N+](=O)[O-] ZINC001163537180 965433097 /nfs/dbraw/zinc/43/30/97/965433097.db2.gz GHLVRDWLJIJCRT-QPJJXVBHSA-N 1 1 248.286 1.732 20 5 BDBDMO C[C@@H]1COCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169009101 969335241 /nfs/dbraw/zinc/33/52/41/969335241.db2.gz VLLOPEGEYTUHBM-TUAOUCFPSA-N 1 1 242.319 1.400 20 5 BDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169010242 969336712 /nfs/dbraw/zinc/33/67/12/969336712.db2.gz BSAFAKNWVIETFM-DBIOUOCHSA-N 1 1 230.283 1.722 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)C1 ZINC001169011960 969338063 /nfs/dbraw/zinc/33/80/63/969338063.db2.gz NWYPINFWVICIAU-SVNGYHJRSA-N 1 1 242.294 1.722 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](F)C2)C1 ZINC001169027414 969344434 /nfs/dbraw/zinc/34/44/34/969344434.db2.gz PKHSMTMEKVCVOP-GMTAPVOTSA-N 1 1 230.283 1.866 20 5 BDBDMO CC(C)(N)C(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990225 969345110 /nfs/dbraw/zinc/34/51/10/969345110.db2.gz YLQAHOCNCUMFSJ-VHSXEESVSA-N 1 1 243.351 1.537 20 5 BDBDMO C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1(C)COC1 ZINC001169034580 969353073 /nfs/dbraw/zinc/35/30/73/969353073.db2.gz HZVYFBVNUDMDEH-ZJUUUORDSA-N 1 1 228.292 1.153 20 5 BDBDMO CC[C@@H]1COCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039136 969357546 /nfs/dbraw/zinc/35/75/46/969357546.db2.gz NMWRUSJMLYYSNN-TUAOUCFPSA-N 1 1 242.319 1.543 20 5 BDBDMO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C ZINC001169036372 969358513 /nfs/dbraw/zinc/35/85/13/969358513.db2.gz NXGLZJREYZDLTR-WOPDTQHZSA-N 1 1 241.335 1.068 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001169036614 969358959 /nfs/dbraw/zinc/35/89/59/969358959.db2.gz HAYYLLRBQLTWTB-DGORSVRFSA-N 1 1 242.294 1.864 20 5 BDBDMO C[N@@H+](Cc1ccno1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046893 969366014 /nfs/dbraw/zinc/36/60/14/969366014.db2.gz OFOZNKKQHSOUPC-VHSXEESVSA-N 1 1 239.275 1.552 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC[C@@H]2CF)C1 ZINC001169054660 969372570 /nfs/dbraw/zinc/37/25/70/969372570.db2.gz NFXMVJUMTSCXLL-HBNTYKKESA-N 1 1 230.283 1.866 20 5 BDBDMO C[N@@H+]([C@H]1CCOC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169057477 969372951 /nfs/dbraw/zinc/37/29/51/969372951.db2.gz VVYCKIJGPQZIQC-DCAQKATOSA-N 1 1 228.292 1.153 20 5 BDBDMO Cc1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](C)C1 ZINC001226968580 975195745 /nfs/dbraw/zinc/19/57/45/975195745.db2.gz GYJNVHBNMJSLPY-JTQLQIEISA-N 1 1 236.271 1.986 20 5 BDBDMO C[NH+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001341625709 979497823 /nfs/dbraw/zinc/49/78/23/979497823.db2.gz NKZDRYBHLROTQR-UHFFFAOYSA-N 1 1 248.242 1.706 20 5 BDBDMO NC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001246075234 987365699 /nfs/dbraw/zinc/36/56/99/987365699.db2.gz JMCFHZLITMHUTE-QWRGUYRKSA-N 1 1 241.335 1.293 20 5 BDBDMO Cc1cc(NC(=O)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001529399783 990347562 /nfs/dbraw/zinc/34/75/62/990347562.db2.gz AHTBMIMEYDFFIW-UHFFFAOYSA-N 1 1 237.259 1.403 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1(O)CCC1)C2 ZINC001559577164 991167754 /nfs/dbraw/zinc/16/77/54/991167754.db2.gz YWSPWFMFTXYSGG-UHFFFAOYSA-N 1 1 248.282 1.825 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1(O)CCC1)C2 ZINC001559577164 991167764 /nfs/dbraw/zinc/16/77/64/991167764.db2.gz YWSPWFMFTXYSGG-UHFFFAOYSA-N 1 1 248.282 1.825 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](C)O ZINC000187823798 178270838 /nfs/dbraw/zinc/27/08/38/178270838.db2.gz JYZZTKGBHAMDMD-JTQLQIEISA-N 1 1 238.287 1.716 20 5 BDBDMO O=[N+]([O-])c1cnccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000608973084 342855971 /nfs/dbraw/zinc/85/59/71/342855971.db2.gz XZWYJGCLCREDFS-JTQLQIEISA-N 1 1 248.286 1.274 20 5 BDBDMO Cc1cn(Cc2onc(C)c2[N+](=O)[O-])c(C)[nH+]1 ZINC000601080161 344142633 /nfs/dbraw/zinc/14/26/33/344142633.db2.gz JSWACXYROKLOGE-UHFFFAOYSA-N 1 1 236.231 1.753 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603095935 344435462 /nfs/dbraw/zinc/43/54/62/344435462.db2.gz YQIJZSWAVKAQGI-IRUJWGPZSA-N 1 1 248.282 1.722 20 5 BDBDMO CN1CC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000597203387 348676969 /nfs/dbraw/zinc/67/69/69/348676969.db2.gz OXQHTDFSMUQDHC-UHFFFAOYSA-N 1 1 249.314 1.588 20 5 BDBDMO CN1CC(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000597203387 348676973 /nfs/dbraw/zinc/67/69/73/348676973.db2.gz OXQHTDFSMUQDHC-UHFFFAOYSA-N 1 1 249.314 1.588 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H]1CC[N@H+](C)C1 ZINC000352933291 180175410 /nfs/dbraw/zinc/17/54/10/180175410.db2.gz XLJGSVJGWKNAFI-SECBINFHSA-N 1 1 224.264 1.051 20 5 BDBDMO Cc1[nH+]ccn1CCCn1cc([N+](=O)[O-])cn1 ZINC000124464559 180247718 /nfs/dbraw/zinc/24/77/18/180247718.db2.gz BKUVZCOLHRPYGH-UHFFFAOYSA-N 1 1 235.247 1.387 20 5 BDBDMO Cc1ccnc(NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000443888154 191110370 /nfs/dbraw/zinc/11/03/70/191110370.db2.gz YCDXPOAGGIVGEQ-UHFFFAOYSA-N 1 1 236.275 1.416 20 5 BDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000053297686 356229542 /nfs/dbraw/zinc/22/95/42/356229542.db2.gz JZNFDLAPZMWWBF-SNVBAGLBSA-N 1 1 248.286 1.638 20 5 BDBDMO NC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342150067 181332395 /nfs/dbraw/zinc/33/23/95/181332395.db2.gz WSICZAXQOUTTOV-UHFFFAOYSA-N 1 1 249.314 1.608 20 5 BDBDMO [NH3+]C1(CNCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342150067 181332397 /nfs/dbraw/zinc/33/23/97/181332397.db2.gz WSICZAXQOUTTOV-UHFFFAOYSA-N 1 1 249.314 1.608 20 5 BDBDMO CC[C@H](C)C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602450380 371805607 /nfs/dbraw/zinc/80/56/07/371805607.db2.gz VEARUHAUGAVZAK-VIFPVBQESA-N 1 1 240.307 1.806 20 5 BDBDMO CC[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357936395 372186625 /nfs/dbraw/zinc/18/66/25/372186625.db2.gz MXYHLEWJSHLXHR-SNVBAGLBSA-N 1 1 238.291 1.666 20 5 BDBDMO O=C(NCC[NH+]1CCC1)c1ccccc1[N+](=O)[O-] ZINC000337576681 182185726 /nfs/dbraw/zinc/18/57/26/182185726.db2.gz GMCJNBNEGVLVHE-UHFFFAOYSA-N 1 1 249.270 1.030 20 5 BDBDMO CC[C@H](C)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174856865 374269276 /nfs/dbraw/zinc/26/92/76/374269276.db2.gz MFTBSXJWIFLXGS-JTQLQIEISA-N 1 1 240.307 1.769 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)C1 ZINC000611468481 384170456 /nfs/dbraw/zinc/17/04/56/384170456.db2.gz RVRQNLFOMBBXEY-VIFPVBQESA-N 1 1 238.291 1.442 20 5 BDBDMO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000163223723 384180681 /nfs/dbraw/zinc/18/06/81/384180681.db2.gz BBLIXNBSZZQNQP-JQWIXIFHSA-N 1 1 249.314 1.764 20 5 BDBDMO C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157346239 384374524 /nfs/dbraw/zinc/37/45/24/384374524.db2.gz QYUGFAZHVDVNPA-JTQLQIEISA-N 1 1 238.291 1.666 20 5 BDBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126728395 384383523 /nfs/dbraw/zinc/38/35/23/384383523.db2.gz FSLPZUSWCGIAST-VIFPVBQESA-N 1 1 224.260 1.407 20 5 BDBDMO CCCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176189609 384449444 /nfs/dbraw/zinc/44/94/44/384449444.db2.gz MTKMMCZTMCHGCC-UHFFFAOYSA-N 1 1 226.280 1.523 20 5 BDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000176245299 385046939 /nfs/dbraw/zinc/04/69/39/385046939.db2.gz FSRGPKKDFASECO-UHFFFAOYSA-N 1 1 240.307 1.769 20 5 BDBDMO C[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727297 385148422 /nfs/dbraw/zinc/14/84/22/385148422.db2.gz JMAZAGNDJFBCLQ-JTQLQIEISA-N 1 1 238.287 1.450 20 5 BDBDMO C[C@@H](CC[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000414887481 387591187 /nfs/dbraw/zinc/59/11/87/387591187.db2.gz QKGXLENQHQFWMY-VIFPVBQESA-N 1 1 223.276 1.422 20 5 BDBDMO CC[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446719772 388733922 /nfs/dbraw/zinc/73/39/22/388733922.db2.gz QOUNSQSCXVERMN-SECBINFHSA-N 1 1 238.291 1.560 20 5 BDBDMO CC[C@@H](C)C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000330502265 388757510 /nfs/dbraw/zinc/75/75/10/388757510.db2.gz BGIZKYPIIITFIW-SECBINFHSA-N 1 1 240.307 1.806 20 5 BDBDMO CC[C@@H](C)C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000330502265 388757513 /nfs/dbraw/zinc/75/75/13/388757513.db2.gz BGIZKYPIIITFIW-SECBINFHSA-N 1 1 240.307 1.806 20 5 BDBDMO CC[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000125386496 171013129 /nfs/dbraw/zinc/01/31/29/171013129.db2.gz WGAMDUGPCJIJKR-SNVBAGLBSA-N 1 1 238.291 1.523 20 5 BDBDMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000049099869 173055269 /nfs/dbraw/zinc/05/52/69/173055269.db2.gz BGYGZRRYUJVGMD-VIFPVBQESA-N 1 1 236.275 1.496 20 5 BDBDMO COCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000298791076 174279807 /nfs/dbraw/zinc/27/98/07/174279807.db2.gz RSGFHYPMHNXXMQ-UHFFFAOYSA-N 1 1 238.287 1.716 20 5 BDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCO ZINC000281956240 176026430 /nfs/dbraw/zinc/02/64/30/176026430.db2.gz UUHKWXZWSPXYHV-JTQLQIEISA-N 1 1 238.287 1.970 20 5 BDBDMO C[C@H]1C[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357953492 177359644 /nfs/dbraw/zinc/35/96/44/177359644.db2.gz BYCQOKZFSUZSRR-UWVGGRQHSA-N 1 1 238.291 1.522 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1C2CCC1CC2 ZINC000531103615 322976481 /nfs/dbraw/zinc/97/64/81/322976481.db2.gz GPWPNXNZNYUNJX-UHFFFAOYSA-N 1 1 236.275 1.455 20 5 BDBDMO CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665267 325164770 /nfs/dbraw/zinc/16/47/70/325164770.db2.gz UPZHZSDJUKHBBM-SECBINFHSA-N 1 1 236.275 1.496 20 5 BDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000893934582 583252901 /nfs/dbraw/zinc/25/29/01/583252901.db2.gz IDNMCALKBJNFIO-ONGXEEELSA-N 1 1 248.286 1.130 20 5 BDBDMO O=[N+]([O-])c1ccc(N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000894995896 583565987 /nfs/dbraw/zinc/56/59/87/583565987.db2.gz RQTCQNFWXUNTIT-JTQLQIEISA-N 1 1 244.254 1.828 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000895770979 583725001 /nfs/dbraw/zinc/72/50/01/583725001.db2.gz FFGYTTYABVXZEV-ZETCQYMHSA-N 1 1 227.289 1.772 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000895770979 583725003 /nfs/dbraw/zinc/72/50/03/583725003.db2.gz FFGYTTYABVXZEV-ZETCQYMHSA-N 1 1 227.289 1.772 20 5 BDBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000744442075 585150311 /nfs/dbraw/zinc/15/03/11/585150311.db2.gz WHIZIGNYDZSCJH-VHSXEESVSA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000751928080 585239231 /nfs/dbraw/zinc/23/92/31/585239231.db2.gz LRPXNTTTZVFOMQ-DTORHVGOSA-N 1 1 224.264 1.337 20 5 BDBDMO C[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000751928080 585239232 /nfs/dbraw/zinc/23/92/32/585239232.db2.gz LRPXNTTTZVFOMQ-DTORHVGOSA-N 1 1 224.264 1.337 20 5 BDBDMO CC(C)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000755921221 585310820 /nfs/dbraw/zinc/31/08/20/585310820.db2.gz NSMBGMZUOLEBKS-SNVBAGLBSA-N 1 1 238.291 1.727 20 5 BDBDMO CC(C)[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000755921221 585310821 /nfs/dbraw/zinc/31/08/21/585310821.db2.gz NSMBGMZUOLEBKS-SNVBAGLBSA-N 1 1 238.291 1.727 20 5 BDBDMO CN(C)c1cc(Cn2cnc([N+](=O)[O-])c2)cc[nH+]1 ZINC000762467082 585432582 /nfs/dbraw/zinc/43/25/82/585432582.db2.gz IVDLGEFMMNDFPG-UHFFFAOYSA-N 1 1 247.258 1.301 20 5 BDBDMO CC[N@@H+](CC1CCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000794682539 586046548 /nfs/dbraw/zinc/04/65/48/586046548.db2.gz HSKCFRYZDCIOOB-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238766 588095360 /nfs/dbraw/zinc/09/53/60/588095360.db2.gz YUYYKGXOJCOYDC-YFKPBYRVSA-N 1 1 238.203 1.648 20 5 BDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCCCC1 ZINC000885946138 592113301 /nfs/dbraw/zinc/11/33/01/592113301.db2.gz FKEOWTVUILBVHI-UHFFFAOYSA-N 1 1 221.260 1.976 20 5 BDBDMO C[C@H](O)CC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886021614 592134100 /nfs/dbraw/zinc/13/41/00/592134100.db2.gz ZCIKCYGZSQBEKP-VIFPVBQESA-N 1 1 239.275 1.193 20 5 BDBDMO C[C@H](O)CC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886021614 592134102 /nfs/dbraw/zinc/13/41/02/592134102.db2.gz ZCIKCYGZSQBEKP-VIFPVBQESA-N 1 1 239.275 1.193 20 5 BDBDMO CN(Cc1cnc[nH]1)Cc1cccnc1[N+](=O)[O-] ZINC000886274434 592194459 /nfs/dbraw/zinc/19/44/59/592194459.db2.gz SYLDTZIUQOASST-UHFFFAOYSA-N 1 1 247.258 1.345 20 5 BDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](CF)C1 ZINC000886317117 592207677 /nfs/dbraw/zinc/20/76/77/592207677.db2.gz YVNCSNFNHVPLIR-SECBINFHSA-N 1 1 239.250 1.781 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000930747530 634083382 /nfs/dbraw/zinc/08/33/82/634083382.db2.gz QTMWHVJSXACJAX-LLVKDONJSA-N 1 1 212.293 1.775 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@H]1CCCc2occc21 ZINC000905039327 637560073 /nfs/dbraw/zinc/56/00/73/637560073.db2.gz FYRSVPKFMHKMJC-VIFPVBQESA-N 1 1 210.233 1.523 20 5 BDBDMO CC(=O)Nc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905049820 637566815 /nfs/dbraw/zinc/56/68/15/637566815.db2.gz RCCLYIURSCPLNJ-UHFFFAOYSA-N 1 1 237.259 1.011 20 5 BDBDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905260886 637716364 /nfs/dbraw/zinc/71/63/64/637716364.db2.gz OVNNOWWMLWTLME-KWQFWETISA-N 1 1 222.244 1.375 20 5 BDBDMO CC(C)C[C@@H](CN1CCCC1)[NH2+]CC[N+](=O)[O-] ZINC000905274383 637731558 /nfs/dbraw/zinc/73/15/58/637731558.db2.gz RBGXFCOFAVUPLM-LBPRGKRZSA-N 1 1 243.351 1.363 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000930554505 639810233 /nfs/dbraw/zinc/81/02/33/639810233.db2.gz IPOFINAPCMWTCI-NSHDSACASA-N 1 1 228.292 1.012 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](CCF)C1 ZINC000931015601 640021353 /nfs/dbraw/zinc/02/13/53/640021353.db2.gz RGHSFDAFIJTRFS-VIFPVBQESA-N 1 1 204.245 1.335 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000931026028 640028470 /nfs/dbraw/zinc/02/84/70/640028470.db2.gz OMRBCGVGSIISQX-VXGBXAGGSA-N 1 1 242.319 1.544 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934833507 641284424 /nfs/dbraw/zinc/28/44/24/641284424.db2.gz XKBOWQZHMFEGDE-NWDGAFQWSA-N 1 1 242.319 1.402 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1C[C@H]1CCC[N@@H+]1C ZINC000916773051 641977907 /nfs/dbraw/zinc/97/79/07/641977907.db2.gz ODFYTDMOEZNHAY-SECBINFHSA-N 1 1 224.264 1.194 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000928568976 645831653 /nfs/dbraw/zinc/83/16/53/645831653.db2.gz RQGIZGZXOGTBLX-SECBINFHSA-N 1 1 249.270 1.029 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000928568976 645831656 /nfs/dbraw/zinc/83/16/56/645831656.db2.gz RQGIZGZXOGTBLX-SECBINFHSA-N 1 1 249.270 1.029 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000929314622 646078008 /nfs/dbraw/zinc/07/80/08/646078008.db2.gz CIZJDQTUCDFFBK-UHFFFAOYSA-N 1 1 249.314 1.475 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCc2ccccc2C1 ZINC000929599813 646192626 /nfs/dbraw/zinc/19/26/26/646192626.db2.gz GZMKJCBSZOLRDL-UHFFFAOYSA-N 1 1 220.272 1.712 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000930121630 646445619 /nfs/dbraw/zinc/44/56/19/646445619.db2.gz QXEHCTMUFKRDDV-LURJTMIESA-N 1 1 212.171 1.147 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000930121630 646445621 /nfs/dbraw/zinc/44/56/21/646445621.db2.gz QXEHCTMUFKRDDV-LURJTMIESA-N 1 1 212.171 1.147 20 5 BDBDMO Cc1cnc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000712613494 712438020 /nfs/dbraw/zinc/43/80/20/712438020.db2.gz HMBRSLWKLKXKNI-SECBINFHSA-N 1 1 236.275 1.414 20 5 BDBDMO Cc1cnc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000712613494 712438021 /nfs/dbraw/zinc/43/80/21/712438021.db2.gz HMBRSLWKLKXKNI-SECBINFHSA-N 1 1 236.275 1.414 20 5 BDBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1C ZINC000719570969 712811299 /nfs/dbraw/zinc/81/12/99/712811299.db2.gz FJOJTNOCKDIULW-WPRPVWTQSA-N 1 1 236.275 1.494 20 5 BDBDMO C[C@@H]1[C@@H](Nc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000719575837 712811569 /nfs/dbraw/zinc/81/15/69/712811569.db2.gz QOUOXKRUYOKRTI-BDAKNGLRSA-N 1 1 236.275 1.494 20 5 BDBDMO C[C@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000719601980 712815680 /nfs/dbraw/zinc/81/56/80/712815680.db2.gz NZUILJXEYCAINX-GXFFZTMASA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000719601980 712815682 /nfs/dbraw/zinc/81/56/82/712815682.db2.gz NZUILJXEYCAINX-GXFFZTMASA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009663 969334761 /nfs/dbraw/zinc/33/47/61/969334761.db2.gz WYDXQVJMPCPZEN-VWYCJHECSA-N 1 1 212.293 1.916 20 5 BDBDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169008011 969335468 /nfs/dbraw/zinc/33/54/68/969335468.db2.gz QOWIVCVPTMKNEY-GHMZBOCLSA-N 1 1 242.319 1.543 20 5 BDBDMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169012182 969339003 /nfs/dbraw/zinc/33/90/03/969339003.db2.gz OOWUZUBXDQQHMA-MXWKQRLJSA-N 1 1 228.292 1.153 20 5 BDBDMO CC[N@@H+](C1CN(C)C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041001 969357989 /nfs/dbraw/zinc/35/79/89/969357989.db2.gz AIAFVYULUBMEHO-WDEREUQCSA-N 1 1 241.335 1.068 20 5 BDBDMO COCC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccco1 ZINC001336245124 977594900 /nfs/dbraw/zinc/59/49/00/977594900.db2.gz IIAOYPFDUXTVIA-SECBINFHSA-N 1 1 228.248 1.224 20 5 BDBDMO C[NH2+][C@@H]1CCN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001156639452 963420343 /nfs/dbraw/zinc/42/03/43/963420343.db2.gz RZGQZMIAXOJSMK-ZETCQYMHSA-N 1 1 242.666 1.399 20 5 BDBDMO Cc1nc(N2CC[N@H+]3CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001158425312 963867335 /nfs/dbraw/zinc/86/73/35/963867335.db2.gz OMKXQLGDIRCTDN-JTQLQIEISA-N 1 1 248.286 1.193 20 5 BDBDMO COCC[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005356 969329012 /nfs/dbraw/zinc/32/90/12/969329012.db2.gz BDNKAVDQBMCAEI-VHSXEESVSA-N 1 1 216.281 1.010 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@@H]3C2)C1 ZINC001169011515 969336525 /nfs/dbraw/zinc/33/65/25/969336525.db2.gz KMYKBQLVNVVLDA-CHWFTXMASA-N 1 1 210.277 1.384 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1O ZINC001169010660 969339140 /nfs/dbraw/zinc/33/91/40/969339140.db2.gz FHRLDSCGKXICSB-RHYQMDGZSA-N 1 1 242.319 1.135 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](F)C2)C1 ZINC001169027415 969345245 /nfs/dbraw/zinc/34/52/45/969345245.db2.gz PKHSMTMEKVCVOP-MXWKQRLJSA-N 1 1 230.283 1.866 20 5 BDBDMO CN(C)C1(C)C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035251 969351458 /nfs/dbraw/zinc/35/14/58/969351458.db2.gz JRKQBUAZLQHWNW-QWRGUYRKSA-N 1 1 241.335 1.068 20 5 BDBDMO C[N@@H+](CC1(C)COC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034591 969351665 /nfs/dbraw/zinc/35/16/65/969351665.db2.gz IEKAUAXVRIILSQ-QWRGUYRKSA-N 1 1 242.319 1.400 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]3C[C@@H]32)C1 ZINC001169042447 969361986 /nfs/dbraw/zinc/36/19/86/969361986.db2.gz DMHRXZOXEHPVTB-WYUUTHIRSA-N 1 1 224.304 1.916 20 5 BDBDMO C[N@@H+](Cc1ccno1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046891 969365168 /nfs/dbraw/zinc/36/51/68/969365168.db2.gz OFOZNKKQHSOUPC-NXEZZACHSA-N 1 1 239.275 1.552 20 5 BDBDMO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001169057478 969371058 /nfs/dbraw/zinc/37/10/58/969371058.db2.gz VVYCKIJGPQZIQC-MXWKQRLJSA-N 1 1 228.292 1.153 20 5 BDBDMO C[N@H+](CC(F)F)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056342 969371652 /nfs/dbraw/zinc/37/16/52/969371652.db2.gz RZVBUGIOBAFITF-YUMQZZPRSA-N 1 1 222.235 1.629 20 5 BDBDMO C[N@@H+](CC(F)F)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056342 969371656 /nfs/dbraw/zinc/37/16/56/969371656.db2.gz RZVBUGIOBAFITF-YUMQZZPRSA-N 1 1 222.235 1.629 20 5 BDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CN)CC1 ZINC001254548361 969736616 /nfs/dbraw/zinc/73/66/16/969736616.db2.gz HUDWJWLTSDKCAD-SNVBAGLBSA-N 1 1 249.314 1.607 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225382502 974459189 /nfs/dbraw/zinc/45/91/89/974459189.db2.gz OPTFRYYJOWUFGX-VIFPVBQESA-N 1 1 240.234 1.817 20 5 BDBDMO C[N@H+]1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988143 975835503 /nfs/dbraw/zinc/83/55/03/975835503.db2.gz PFTKNMLCVROVSD-SNVBAGLBSA-N 1 1 237.259 1.463 20 5 BDBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC001333832388 976111708 /nfs/dbraw/zinc/11/17/08/976111708.db2.gz GIXFVQASLRNLMC-RKDXNWHRSA-N 1 1 218.322 1.479 20 5 BDBDMO Cc1cc([C@@H](C)[NH2+]CC[N+](=O)[O-])c(C)o1 ZINC001335778918 977279077 /nfs/dbraw/zinc/27/90/77/977279077.db2.gz BQAVUHRXMOMTDY-MRVPVSSYSA-N 1 1 212.249 1.824 20 5 BDBDMO Cc1ccnc(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000070496060 978849649 /nfs/dbraw/zinc/84/96/49/978849649.db2.gz UCJXOEAMOOHRKZ-VIFPVBQESA-N 1 1 236.275 1.414 20 5 BDBDMO C[N@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000156964458 980809481 /nfs/dbraw/zinc/80/94/81/980809481.db2.gz ILILPRAEOWBZKC-QMMMGPOBSA-N 1 1 222.248 1.106 20 5 BDBDMO COC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001353244947 982799309 /nfs/dbraw/zinc/79/93/09/982799309.db2.gz AKMCZHJXIMPDOP-LLVKDONJSA-N 1 1 242.250 1.380 20 5 BDBDMO CO[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001353355154 982847841 /nfs/dbraw/zinc/84/78/41/982847841.db2.gz XKZUQHLCSBVOQT-JTQLQIEISA-N 1 1 237.259 1.211 20 5 BDBDMO CO[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001353355154 982847842 /nfs/dbraw/zinc/84/78/42/982847842.db2.gz XKZUQHLCSBVOQT-JTQLQIEISA-N 1 1 237.259 1.211 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC001354585746 983323242 /nfs/dbraw/zinc/32/32/42/983323242.db2.gz YBXBHERMTXBTHS-LBPRGKRZSA-N 1 1 235.287 1.223 20 5 BDBDMO CC(C)[N@@H+](CC[N+](=O)[O-])CC1CCC1 ZINC001354711508 983346925 /nfs/dbraw/zinc/34/69/25/983346925.db2.gz DEOKTLDUBDRALC-UHFFFAOYSA-N 1 1 200.282 1.774 20 5 BDBDMO CC[C@H](N)C[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246972685 988800030 /nfs/dbraw/zinc/80/00/30/988800030.db2.gz DUZDAPGGGPYKOA-DCAQKATOSA-N 1 1 229.324 1.101 20 5 BDBDMO CC[C@H]([NH3+])CN(C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246972685 988800032 /nfs/dbraw/zinc/80/00/32/988800032.db2.gz DUZDAPGGGPYKOA-DCAQKATOSA-N 1 1 229.324 1.101 20 5 BDBDMO Cc1ccc(C[N@H+](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000130830407 398283045 /nfs/dbraw/zinc/28/30/45/398283045.db2.gz IFXHZLBLIOEGBD-JTQLQIEISA-N 1 1 238.287 1.716 20 5 BDBDMO C[N@H+]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609493300 342880283 /nfs/dbraw/zinc/88/02/83/342880283.db2.gz FPEKPLTVXWHVIF-VIFPVBQESA-N 1 1 249.270 1.485 20 5 BDBDMO CCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602437187 342913472 /nfs/dbraw/zinc/91/34/72/342913472.db2.gz DXNSGPJRDRIEHF-UHFFFAOYSA-N 1 1 212.253 1.170 20 5 BDBDMO CCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602437187 342913473 /nfs/dbraw/zinc/91/34/73/342913473.db2.gz DXNSGPJRDRIEHF-UHFFFAOYSA-N 1 1 212.253 1.170 20 5 BDBDMO C[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000048347148 343578911 /nfs/dbraw/zinc/57/89/11/343578911.db2.gz JGTZFNHRHJAEMA-UHFFFAOYSA-N 1 1 224.260 1.061 20 5 BDBDMO C[C@@H](O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601100329 344242744 /nfs/dbraw/zinc/24/27/44/344242744.db2.gz QMUNEHLTNPHMMW-MRVPVSSYSA-N 1 1 247.254 1.358 20 5 BDBDMO C[C@H](O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601100330 344243027 /nfs/dbraw/zinc/24/30/27/344243027.db2.gz QMUNEHLTNPHMMW-QMMMGPOBSA-N 1 1 247.254 1.358 20 5 BDBDMO Cc1c(C[NH2+]C2(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000152432521 344561258 /nfs/dbraw/zinc/56/12/58/344561258.db2.gz JAAINCKUZZPXPJ-UHFFFAOYSA-N 1 1 249.270 1.011 20 5 BDBDMO Cc1cccc([N+](=O)[O-])c1NCC(F)(F)C[NH3+] ZINC000162693850 179206601 /nfs/dbraw/zinc/20/66/01/179206601.db2.gz XNTGRRDINOSQMK-UHFFFAOYSA-N 1 1 245.229 1.909 20 5 BDBDMO CC[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312532 348223640 /nfs/dbraw/zinc/22/36/40/348223640.db2.gz ZRJDJXNLWNHDCH-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO CC[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312532 348223641 /nfs/dbraw/zinc/22/36/41/348223641.db2.gz ZRJDJXNLWNHDCH-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO Cc1[nH+]ccn1CCCn1nccc1[N+](=O)[O-] ZINC000128021976 180246731 /nfs/dbraw/zinc/24/67/31/180246731.db2.gz FCPCYUKLJKBQQO-UHFFFAOYSA-N 1 1 235.247 1.387 20 5 BDBDMO Cc1nn(CC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000331334242 180388588 /nfs/dbraw/zinc/38/85/88/180388588.db2.gz PSZNSYKOZPAUBU-JTQLQIEISA-N 1 1 238.291 1.584 20 5 BDBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000344426073 351126160 /nfs/dbraw/zinc/12/61/60/351126160.db2.gz IUZSKBOYSYGCJD-SNVBAGLBSA-N 1 1 235.287 1.735 20 5 BDBDMO Cc1ccc(CN[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414881207 191613858 /nfs/dbraw/zinc/61/38/58/191613858.db2.gz KSKXDCBTXZZICW-JTQLQIEISA-N 1 1 237.303 1.730 20 5 BDBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297414 356210227 /nfs/dbraw/zinc/21/02/27/356210227.db2.gz BUVYXBLZPFTAFR-SECBINFHSA-N 1 1 236.275 1.353 20 5 BDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000581749927 367809342 /nfs/dbraw/zinc/80/93/42/367809342.db2.gz LYVPWDUVRNOERF-NSHDSACASA-N 1 1 248.286 1.274 20 5 BDBDMO CC[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000207402466 370303464 /nfs/dbraw/zinc/30/34/64/370303464.db2.gz UHOAYVJROQSZCW-UHFFFAOYSA-N 1 1 236.275 1.132 20 5 BDBDMO Cn1cc(C[N@@H+](C)CC2CC2)c([N+](=O)[O-])n1 ZINC000602456509 371806441 /nfs/dbraw/zinc/80/64/41/371806441.db2.gz YANGNZOSHGMHBP-UHFFFAOYSA-N 1 1 224.264 1.170 20 5 BDBDMO Cc1ccc(C[NH2+]C2(C)COC2)cc1[N+](=O)[O-] ZINC000602738638 371836572 /nfs/dbraw/zinc/83/65/72/371836572.db2.gz HANIDFWAOKMIDI-UHFFFAOYSA-N 1 1 236.271 1.782 20 5 BDBDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602833494 371845952 /nfs/dbraw/zinc/84/59/52/371845952.db2.gz VWDHBBXSXXWKCI-JGVFFNPUSA-N 1 1 224.264 1.169 20 5 BDBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602833494 371845959 /nfs/dbraw/zinc/84/59/59/371845959.db2.gz VWDHBBXSXXWKCI-JGVFFNPUSA-N 1 1 224.264 1.169 20 5 BDBDMO C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000165129046 384381928 /nfs/dbraw/zinc/38/19/28/384381928.db2.gz WAMNBBMIEZSUJR-UHFFFAOYSA-N 1 1 228.223 1.158 20 5 BDBDMO C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000165129046 384381931 /nfs/dbraw/zinc/38/19/31/384381931.db2.gz WAMNBBMIEZSUJR-UHFFFAOYSA-N 1 1 228.223 1.158 20 5 BDBDMO CC[C@@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000294078508 386352169 /nfs/dbraw/zinc/35/21/69/386352169.db2.gz LHYMOLJTGUALEM-NSHDSACASA-N 1 1 238.287 1.798 20 5 BDBDMO COc1cc(C)[nH+]c(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000270104501 387367911 /nfs/dbraw/zinc/36/79/11/387367911.db2.gz GAZAAHQOMIZRQB-UHFFFAOYSA-N 1 1 248.242 1.552 20 5 BDBDMO Cc1cnc(NCC(F)(F)C[NH3+])c([N+](=O)[O-])c1 ZINC000162674958 387595154 /nfs/dbraw/zinc/59/51/54/387595154.db2.gz OMWSXEWCVURKOJ-UHFFFAOYSA-N 1 1 246.217 1.304 20 5 BDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000357917493 388397000 /nfs/dbraw/zinc/39/70/00/388397000.db2.gz RVQQNTYVBBFNCN-UHFFFAOYSA-N 1 1 238.291 1.666 20 5 BDBDMO CC[C@@H](NCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037713557 388586158 /nfs/dbraw/zinc/58/61/58/388586158.db2.gz ANMRRYNZEOADKW-GFCCVEGCSA-N 1 1 237.303 1.984 20 5 BDBDMO C[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525290009 388680287 /nfs/dbraw/zinc/68/02/87/388680287.db2.gz BINBPNDJIDYCCU-VIFPVBQESA-N 1 1 236.271 1.334 20 5 BDBDMO C[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525290009 388680290 /nfs/dbraw/zinc/68/02/90/388680290.db2.gz BINBPNDJIDYCCU-VIFPVBQESA-N 1 1 236.271 1.334 20 5 BDBDMO Cc1[nH+]ccn1CCCCn1nccc1[N+](=O)[O-] ZINC000124661314 388753347 /nfs/dbraw/zinc/75/33/47/388753347.db2.gz SKSOYNXTCLMFQX-UHFFFAOYSA-N 1 1 249.274 1.777 20 5 BDBDMO N[C@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423018563 388687005 /nfs/dbraw/zinc/68/70/05/388687005.db2.gz ZGBDBFLQJLARSG-QWHCGFSZSA-N 1 1 249.314 1.607 20 5 BDBDMO [NH3+][C@H]1CCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423018563 388687006 /nfs/dbraw/zinc/68/70/06/388687006.db2.gz ZGBDBFLQJLARSG-QWHCGFSZSA-N 1 1 249.314 1.607 20 5 BDBDMO [NH3+]CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423191159 388688669 /nfs/dbraw/zinc/68/86/69/388688669.db2.gz OMRSBMYJMDMDDM-CYBMUJFWSA-N 1 1 249.314 1.911 20 5 BDBDMO CC[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000125697246 388803777 /nfs/dbraw/zinc/80/37/77/388803777.db2.gz XHRAIKCTXPSZFN-JTQLQIEISA-N 1 1 238.291 1.523 20 5 BDBDMO Cc1ccnc(N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265172417 132304318 /nfs/dbraw/zinc/30/43/18/132304318.db2.gz HFQAHMUMELGZMO-UHFFFAOYSA-N 1 1 236.275 1.050 20 5 BDBDMO CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000057366618 132365588 /nfs/dbraw/zinc/36/55/88/132365588.db2.gz LBRKOEWNCPYABP-UHFFFAOYSA-N 1 1 236.275 1.132 20 5 BDBDMO CCC(C)(C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267051720 168287269 /nfs/dbraw/zinc/28/72/69/168287269.db2.gz GIJGINMTSRBHOY-UHFFFAOYSA-N 1 1 240.307 1.912 20 5 BDBDMO CC[C@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000356834852 171307928 /nfs/dbraw/zinc/30/79/28/171307928.db2.gz GXRRGKVACIRTTH-QMMMGPOBSA-N 1 1 226.280 1.559 20 5 BDBDMO CC[C@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000356834852 171307929 /nfs/dbraw/zinc/30/79/29/171307929.db2.gz GXRRGKVACIRTTH-QMMMGPOBSA-N 1 1 226.280 1.559 20 5 BDBDMO C[NH2+]Cc1noc(-c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000137135590 173398763 /nfs/dbraw/zinc/39/87/63/173398763.db2.gz INIHFEJMWQKIGE-UHFFFAOYSA-N 1 1 248.242 1.673 20 5 BDBDMO C[C@@H]1C[N@H+](C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014224 176276693 /nfs/dbraw/zinc/27/66/93/176276693.db2.gz KFIQJDUNZNBFRE-ZWNOBZJWSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014224 176276694 /nfs/dbraw/zinc/27/66/94/176276694.db2.gz KFIQJDUNZNBFRE-ZWNOBZJWSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000131605843 176368301 /nfs/dbraw/zinc/36/83/01/176368301.db2.gz IFYQSJSEEQPVPG-PWSUYJOCSA-N 1 1 249.314 1.764 20 5 BDBDMO C[N@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000893940780 583255066 /nfs/dbraw/zinc/25/50/66/583255066.db2.gz QBFYRGOZOXSOBW-GXFFZTMASA-N 1 1 247.298 1.735 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000740861868 585107693 /nfs/dbraw/zinc/10/76/93/585107693.db2.gz ZQMAUTUVTQBHRT-BDAKNGLRSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1C[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000740861868 585107694 /nfs/dbraw/zinc/10/76/94/585107694.db2.gz ZQMAUTUVTQBHRT-BDAKNGLRSA-N 1 1 224.264 1.479 20 5 BDBDMO Cc1nn(C[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000779860043 585769235 /nfs/dbraw/zinc/76/92/35/585769235.db2.gz RJAGIBQXYONLRJ-MRVPVSSYSA-N 1 1 224.264 1.399 20 5 BDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000779860043 585769236 /nfs/dbraw/zinc/76/92/36/585769236.db2.gz RJAGIBQXYONLRJ-MRVPVSSYSA-N 1 1 224.264 1.399 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])CC1CCCCC1 ZINC000791052857 585972909 /nfs/dbraw/zinc/97/29/09/585972909.db2.gz GEVGVOSJPGAQNF-UHFFFAOYSA-N 1 1 200.282 1.775 20 5 BDBDMO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC[N+](=O)[O-] ZINC000791055423 585973408 /nfs/dbraw/zinc/97/34/08/585973408.db2.gz UDRSFFZNRGLYNE-SNVBAGLBSA-N 1 1 238.291 1.006 20 5 BDBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC[N+](=O)[O-] ZINC000791055423 585973409 /nfs/dbraw/zinc/97/34/09/585973409.db2.gz UDRSFFZNRGLYNE-SNVBAGLBSA-N 1 1 238.291 1.006 20 5 BDBDMO CC[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000843144825 588085963 /nfs/dbraw/zinc/08/59/63/588085963.db2.gz KZLKGFALQZPJLE-UHFFFAOYSA-N 1 1 249.230 1.149 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ZINC001169007576 969335819 /nfs/dbraw/zinc/33/58/19/969335819.db2.gz OEYIHBVLRYXHHY-WHOHXGKFSA-N 1 1 240.303 1.295 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](CO)C2)C1 ZINC001169009362 969335942 /nfs/dbraw/zinc/33/59/42/969335942.db2.gz VVJSJUZGPUAYHR-GRYCIOLGSA-N 1 1 242.319 1.136 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)C1 ZINC001169011958 969338286 /nfs/dbraw/zinc/33/82/86/969338286.db2.gz NWYPINFWVICIAU-HTFCKZLJSA-N 1 1 242.294 1.722 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)C1 ZINC001169011957 969339040 /nfs/dbraw/zinc/33/90/40/969339040.db2.gz NWYPINFWVICIAU-HHHUOAJASA-N 1 1 242.294 1.722 20 5 BDBDMO CC(C)(N)C(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990224 969345732 /nfs/dbraw/zinc/34/57/32/969345732.db2.gz YLQAHOCNCUMFSJ-UWVGGRQHSA-N 1 1 243.351 1.537 20 5 BDBDMO C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033937 969353460 /nfs/dbraw/zinc/35/34/60/969353460.db2.gz DVIKJJUTHFWSSK-DDHJBXDOSA-N 1 1 242.319 1.277 20 5 BDBDMO CN1CC[C@H]([N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037143 969358835 /nfs/dbraw/zinc/35/88/35/969358835.db2.gz QXXFDTZQCJDHCV-UTUOFQBUSA-N 1 1 241.335 1.068 20 5 BDBDMO C[N@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222789452 972697883 /nfs/dbraw/zinc/69/78/83/972697883.db2.gz MVWOFAYHRWNIKU-GFCCVEGCSA-N 1 1 236.271 1.816 20 5 BDBDMO C[N@H+]1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628328 974605485 /nfs/dbraw/zinc/60/54/85/974605485.db2.gz HSKVFKJGIYLKQV-SECBINFHSA-N 1 1 237.259 1.463 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793749 974684759 /nfs/dbraw/zinc/68/47/59/974684759.db2.gz DUNZHLOZNJCQLC-QMMMGPOBSA-N 1 1 240.234 1.817 20 5 BDBDMO CC(C)(C)[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001341025795 979200851 /nfs/dbraw/zinc/20/08/51/979200851.db2.gz PFWUCLFZYVRNJM-VIFPVBQESA-N 1 1 200.282 1.631 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccncc1C(F)(F)F ZINC001353352023 982844937 /nfs/dbraw/zinc/84/49/37/982844937.db2.gz BQCSJGXAMMXCCD-UHFFFAOYSA-N 1 1 249.192 1.467 20 5 BDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(O)c1 ZINC001354707834 983349070 /nfs/dbraw/zinc/34/90/70/983349070.db2.gz ANVGIKZOJWAAQX-MRVPVSSYSA-N 1 1 210.233 1.320 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@]12CCCOC2 ZINC001460980640 985976522 /nfs/dbraw/zinc/97/65/22/985976522.db2.gz SQZLSUVRQHSADB-LLVKDONJSA-N 1 1 228.292 1.298 20 5 BDBDMO Cc1cc(F)ccc1C[N@H+](C)CC[N+](=O)[O-] ZINC001119850669 989442596 /nfs/dbraw/zinc/44/25/96/989442596.db2.gz YOGPXMMVTCLBTG-UHFFFAOYSA-N 1 1 226.251 1.843 20 5 BDBDMO Cc1cc(F)ccc1C[N@@H+](C)CC[N+](=O)[O-] ZINC001119850669 989442608 /nfs/dbraw/zinc/44/26/08/989442608.db2.gz YOGPXMMVTCLBTG-UHFFFAOYSA-N 1 1 226.251 1.843 20 5 BDBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC001123041521 990495236 /nfs/dbraw/zinc/49/52/36/990495236.db2.gz DWWYAACLDCUKRN-VHSXEESVSA-N 1 1 244.291 1.068 20 5 BDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC001123041521 990495238 /nfs/dbraw/zinc/49/52/38/990495238.db2.gz DWWYAACLDCUKRN-VHSXEESVSA-N 1 1 244.291 1.068 20 5 BDBDMO COC[C@H]1CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000293542407 398199735 /nfs/dbraw/zinc/19/97/35/398199735.db2.gz KHMDDUQCHCQALJ-LLVKDONJSA-N 1 1 236.271 1.816 20 5 BDBDMO COC[C@H]1CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000293542407 398199737 /nfs/dbraw/zinc/19/97/37/398199737.db2.gz KHMDDUQCHCQALJ-LLVKDONJSA-N 1 1 236.271 1.816 20 5 BDBDMO COC[C@@H]1CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000293542409 398199764 /nfs/dbraw/zinc/19/97/64/398199764.db2.gz KHMDDUQCHCQALJ-NSHDSACASA-N 1 1 236.271 1.816 20 5 BDBDMO COC[C@@H]1CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000293542409 398199765 /nfs/dbraw/zinc/19/97/65/398199765.db2.gz KHMDDUQCHCQALJ-NSHDSACASA-N 1 1 236.271 1.816 20 5 BDBDMO C[C@H](NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020083734 398303849 /nfs/dbraw/zinc/30/38/49/398303849.db2.gz VTWZRUCHBMDZRH-JTQLQIEISA-N 1 1 237.303 1.807 20 5 BDBDMO C[N@H+](Cc1cn[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC000610487365 343964929 /nfs/dbraw/zinc/96/49/29/343964929.db2.gz JNLAALOGXXOCKP-UHFFFAOYSA-N 1 1 246.270 1.950 20 5 BDBDMO C[N@@H+](Cc1cn[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC000610487365 343964930 /nfs/dbraw/zinc/96/49/30/343964930.db2.gz JNLAALOGXXOCKP-UHFFFAOYSA-N 1 1 246.270 1.950 20 5 BDBDMO Cc1noc(C[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595335032 348220654 /nfs/dbraw/zinc/22/06/54/348220654.db2.gz REUJYZPMWISLLO-ZETCQYMHSA-N 1 1 225.248 1.876 20 5 BDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595335032 348220655 /nfs/dbraw/zinc/22/06/55/348220655.db2.gz REUJYZPMWISLLO-ZETCQYMHSA-N 1 1 225.248 1.876 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC2(COC2)C1 ZINC000595835740 348369227 /nfs/dbraw/zinc/36/92/27/348369227.db2.gz XSMNIZWTTGIZHN-UHFFFAOYSA-N 1 1 248.282 1.817 20 5 BDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000293315240 351016265 /nfs/dbraw/zinc/01/62/65/351016265.db2.gz FRVYYDSPZKTHPG-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO C[C@@H](NCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000037713582 188255233 /nfs/dbraw/zinc/25/52/33/188255233.db2.gz JIBJXVSHWFUNIM-SECBINFHSA-N 1 1 223.276 1.594 20 5 BDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352186353 134099764 /nfs/dbraw/zinc/09/97/64/134099764.db2.gz LITYYYRCHRIXNA-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CNC1 ZINC000582899031 357425083 /nfs/dbraw/zinc/42/50/83/357425083.db2.gz OAOPKQYECOXKOL-JTQLQIEISA-N 1 1 249.314 1.477 20 5 BDBDMO COCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605945 359969524 /nfs/dbraw/zinc/96/95/24/359969524.db2.gz VOOFHMPRDZOJSH-UHFFFAOYSA-N 1 1 236.271 1.599 20 5 BDBDMO COCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605945 359969529 /nfs/dbraw/zinc/96/95/29/359969529.db2.gz VOOFHMPRDZOJSH-UHFFFAOYSA-N 1 1 236.271 1.599 20 5 BDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000601327334 371748242 /nfs/dbraw/zinc/74/82/42/371748242.db2.gz SXHUAXVDTPGXLB-ZYHUDNBSSA-N 1 1 249.314 1.621 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601977482 371781333 /nfs/dbraw/zinc/78/13/33/371781333.db2.gz USBJBOVYALWHKS-TXEJJXNPSA-N 1 1 248.282 1.673 20 5 BDBDMO CC(C)[C@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439115 371803629 /nfs/dbraw/zinc/80/36/29/371803629.db2.gz MPYQXDKSAVRTHX-VIFPVBQESA-N 1 1 240.307 1.805 20 5 BDBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473417 371809817 /nfs/dbraw/zinc/80/98/17/371809817.db2.gz QWFINZBFSMRSRS-RKDXNWHRSA-N 1 1 238.291 1.559 20 5 BDBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176230338 169170467 /nfs/dbraw/zinc/17/04/67/169170467.db2.gz UGYHNUFOPGLYJO-UHFFFAOYSA-N 1 1 238.291 1.666 20 5 BDBDMO Cn1cncc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000112343202 383919089 /nfs/dbraw/zinc/91/90/89/383919089.db2.gz KHLIZDJTOOZQQO-UHFFFAOYSA-N 1 1 246.270 1.618 20 5 BDBDMO CC[N@@H+](CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000158656492 384081239 /nfs/dbraw/zinc/08/12/39/384081239.db2.gz DVFGLWVXTXJVRK-UHFFFAOYSA-N 1 1 238.287 1.717 20 5 BDBDMO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCOC3)cc1 ZINC000560638425 384275066 /nfs/dbraw/zinc/27/50/66/384275066.db2.gz LTYAUYUIGOFHDQ-UHFFFAOYSA-N 1 1 248.282 1.817 20 5 BDBDMO C[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000084526204 384732334 /nfs/dbraw/zinc/73/23/34/384732334.db2.gz PWFMPWUBOBDVPQ-UHFFFAOYSA-N 1 1 244.678 1.672 20 5 BDBDMO C[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000084526204 384732339 /nfs/dbraw/zinc/73/23/39/384732339.db2.gz PWFMPWUBOBDVPQ-UHFFFAOYSA-N 1 1 244.678 1.672 20 5 BDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC=CCC2)nc1 ZINC000280270059 385187420 /nfs/dbraw/zinc/18/74/20/385187420.db2.gz OSBNXOXXQILRRT-UHFFFAOYSA-N 1 1 249.274 1.059 20 5 BDBDMO Cn1c[nH+]cc1CCCn1cc([N+](=O)[O-])cn1 ZINC000516938036 385177613 /nfs/dbraw/zinc/17/76/13/385177613.db2.gz HZWYSAUBCFVWGK-UHFFFAOYSA-N 1 1 235.247 1.158 20 5 BDBDMO C[C@H](C[NH3+])CNCc1ccc([N+](=O)[O-])cc1 ZINC000336681902 385643308 /nfs/dbraw/zinc/64/33/08/385643308.db2.gz RVHOJNGZEQUYSQ-SECBINFHSA-N 1 1 223.276 1.279 20 5 BDBDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000159464359 386559676 /nfs/dbraw/zinc/55/96/76/386559676.db2.gz GGXSLSVCOICJHY-UWVGGRQHSA-N 1 1 238.287 1.968 20 5 BDBDMO C[C@H](O)CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000075781717 387357095 /nfs/dbraw/zinc/35/70/95/387357095.db2.gz RKICCCAABWUARE-QMMMGPOBSA-N 1 1 244.316 1.859 20 5 BDBDMO C[C@H](O)CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000075781717 387357099 /nfs/dbraw/zinc/35/70/99/387357099.db2.gz RKICCCAABWUARE-QMMMGPOBSA-N 1 1 244.316 1.859 20 5 BDBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000271023937 388370103 /nfs/dbraw/zinc/37/01/03/388370103.db2.gz VMWVFLYRQZRTNU-GQCTYLIASA-N 1 1 236.271 1.532 20 5 BDBDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000353880836 388375005 /nfs/dbraw/zinc/37/50/05/388375005.db2.gz KNAVECYGJOLEIU-LLVKDONJSA-N 1 1 236.271 1.816 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774754 388754348 /nfs/dbraw/zinc/75/43/48/388754348.db2.gz PHXSYRYUNFEBDG-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO [NH3+][C@H]1CCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422781979 388687069 /nfs/dbraw/zinc/68/70/69/388687069.db2.gz FSWMYQLAQJYTFK-NWDGAFQWSA-N 1 1 249.314 1.607 20 5 BDBDMO N[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422781979 388687072 /nfs/dbraw/zinc/68/70/72/388687072.db2.gz FSWMYQLAQJYTFK-NWDGAFQWSA-N 1 1 249.314 1.607 20 5 BDBDMO C[C@H]([NH3+])CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423240186 388690415 /nfs/dbraw/zinc/69/04/15/388690415.db2.gz WZUGFJGDAOAKAA-UWVGGRQHSA-N 1 1 237.303 1.983 20 5 BDBDMO C[C@H](CO)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000284888640 388832944 /nfs/dbraw/zinc/83/29/44/388832944.db2.gz UDLVSIOKRAJILH-SSDOTTSWSA-N 1 1 230.289 1.469 20 5 BDBDMO C[C@H](CO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000284888640 388832948 /nfs/dbraw/zinc/83/29/48/388832948.db2.gz UDLVSIOKRAJILH-SSDOTTSWSA-N 1 1 230.289 1.469 20 5 BDBDMO C[C@@H](O)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000131092276 388837018 /nfs/dbraw/zinc/83/70/18/388837018.db2.gz LKIFPKQHPNKXPJ-SSDOTTSWSA-N 1 1 230.289 1.469 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000131092276 388837022 /nfs/dbraw/zinc/83/70/22/388837022.db2.gz LKIFPKQHPNKXPJ-SSDOTTSWSA-N 1 1 230.289 1.469 20 5 BDBDMO C[C@H](CN)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414939394 398117301 /nfs/dbraw/zinc/11/73/01/398117301.db2.gz YJZZMOODQJXGPF-DFVUYQKZSA-N 1 1 235.287 1.545 20 5 BDBDMO C[N@H+]1CCCC[C@H]1CCn1nccc1[N+](=O)[O-] ZINC000284260575 173008378 /nfs/dbraw/zinc/00/83/78/173008378.db2.gz PBFMVCZLIWMYGQ-JTQLQIEISA-N 1 1 238.291 1.666 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351783319 176304882 /nfs/dbraw/zinc/30/48/82/176304882.db2.gz RKWHIXOZNFGJPH-BXKDBHETSA-N 1 1 236.271 1.407 20 5 BDBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000177872725 177161972 /nfs/dbraw/zinc/16/19/72/177161972.db2.gz AFAOFKSTHYSENB-VHSXEESVSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000332737649 177373252 /nfs/dbraw/zinc/37/32/52/177373252.db2.gz XCKPYKAGAPFASO-CBAPKCEASA-N 1 1 242.300 1.611 20 5 BDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000332737649 177373253 /nfs/dbraw/zinc/37/32/53/177373253.db2.gz XCKPYKAGAPFASO-CBAPKCEASA-N 1 1 242.300 1.611 20 5 BDBDMO Cc1c(C[N@H+](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000051822057 488049481 /nfs/dbraw/zinc/04/94/81/488049481.db2.gz ZKGXZFCWVIHSFI-VIFPVBQESA-N 1 1 238.287 1.716 20 5 BDBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000791053019 583385066 /nfs/dbraw/zinc/38/50/66/583385066.db2.gz RVOSFJAIOZJQIA-ZYHUDNBSSA-N 1 1 220.272 1.956 20 5 BDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000791053019 583385069 /nfs/dbraw/zinc/38/50/69/583385069.db2.gz RVOSFJAIOZJQIA-ZYHUDNBSSA-N 1 1 220.272 1.956 20 5 BDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC000894881952 583544244 /nfs/dbraw/zinc/54/42/44/583544244.db2.gz PQHGOACENXPWCS-PHIMTYICSA-N 1 1 247.298 1.878 20 5 BDBDMO CC(C)[C@H]1[N@@H+](CC[N+](=O)[O-])CC12CCOCC2 ZINC000899887739 584247814 /nfs/dbraw/zinc/24/78/14/584247814.db2.gz FVLJMBJYAMCWHP-LLVKDONJSA-N 1 1 242.319 1.400 20 5 BDBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC[N+](=O)[O-] ZINC000787735326 585915099 /nfs/dbraw/zinc/91/50/99/585915099.db2.gz FRKATMBEXMJIOM-ZETCQYMHSA-N 1 1 240.225 1.926 20 5 BDBDMO C[N@H+]1CCN(CC[N+](=O)[O-])C2(CCCCC2)C1 ZINC000791051451 585972850 /nfs/dbraw/zinc/97/28/50/585972850.db2.gz DKSIYWUNQGXVOS-UHFFFAOYSA-N 1 1 241.335 1.213 20 5 BDBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791054251 585973322 /nfs/dbraw/zinc/97/33/22/585973322.db2.gz SBYVWBGCUGVNGI-UHFFFAOYSA-N 1 1 208.261 1.785 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000878318460 590543996 /nfs/dbraw/zinc/54/39/96/590543996.db2.gz ZIIVLZGXBLZJAZ-ZJUUUORDSA-N 1 1 236.275 1.194 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](CF)C2)n1 ZINC000880295872 590990646 /nfs/dbraw/zinc/99/06/46/590990646.db2.gz ZLQXQOXJUZMNIX-VIFPVBQESA-N 1 1 242.254 1.083 20 5 BDBDMO CC[C@H](CO)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886220429 592179743 /nfs/dbraw/zinc/17/97/43/592179743.db2.gz HWYIPYAAITWONH-SNVBAGLBSA-N 1 1 239.275 1.193 20 5 BDBDMO CC[C@H](CO)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886220429 592179744 /nfs/dbraw/zinc/17/97/44/592179744.db2.gz HWYIPYAAITWONH-SNVBAGLBSA-N 1 1 239.275 1.193 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]1CO ZINC000934019625 631618444 /nfs/dbraw/zinc/61/84/44/631618444.db2.gz REGRKVGPNAMHIC-SNVBAGLBSA-N 1 1 222.244 1.161 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]1CO ZINC000934019625 631618447 /nfs/dbraw/zinc/61/84/47/631618447.db2.gz REGRKVGPNAMHIC-SNVBAGLBSA-N 1 1 222.244 1.161 20 5 BDBDMO COCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000895970167 636185717 /nfs/dbraw/zinc/18/57/17/636185717.db2.gz 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CC1(C)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000173438277 641178153 /nfs/dbraw/zinc/17/81/53/641178153.db2.gz ATZFEQWWLHBINE-UHFFFAOYSA-N 1 1 224.264 1.481 20 5 BDBDMO C[C@@H]1CCC[C@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000929706257 641410599 /nfs/dbraw/zinc/41/05/99/641410599.db2.gz ZYJGZNVVWUZCKO-ZJUUUORDSA-N 1 1 200.282 1.774 20 5 BDBDMO C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000194622897 642187313 /nfs/dbraw/zinc/18/73/13/642187313.db2.gz WPTLWLWZOOUBIS-SNVBAGLBSA-N 1 1 238.291 1.871 20 5 BDBDMO C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000194622897 642187316 /nfs/dbraw/zinc/18/73/16/642187316.db2.gz WPTLWLWZOOUBIS-SNVBAGLBSA-N 1 1 238.291 1.871 20 5 BDBDMO Cc1[nH]c(C)c(Cn2ccnc2[N+](=O)[O-])[nH+]1 ZINC000918396814 642194581 /nfs/dbraw/zinc/19/45/81/642194581.db2.gz MWCRYKAJTDLGFL-UHFFFAOYSA-N 1 1 221.220 1.180 20 5 BDBDMO Cc1[nH]c(Cn2ccnc2[N+](=O)[O-])c(C)[nH+]1 ZINC000918396814 642194583 /nfs/dbraw/zinc/19/45/83/642194583.db2.gz MWCRYKAJTDLGFL-UHFFFAOYSA-N 1 1 221.220 1.180 20 5 BDBDMO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000089150558 644535867 /nfs/dbraw/zinc/53/58/67/644535867.db2.gz OEXQERQRWKFIIZ-YPMHNXCESA-N 1 1 249.314 1.812 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928573563 645833231 /nfs/dbraw/zinc/83/32/31/645833231.db2.gz RICUSZDQFJGPQM-NSHDSACASA-N 1 1 249.270 1.029 20 5 BDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928573563 645833237 /nfs/dbraw/zinc/83/32/37/645833237.db2.gz RICUSZDQFJGPQM-NSHDSACASA-N 1 1 249.270 1.029 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000929175077 645986449 /nfs/dbraw/zinc/98/64/49/645986449.db2.gz PBPLUUIHCRQSDZ-UHFFFAOYSA-N 1 1 248.282 1.758 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000929175077 645986456 /nfs/dbraw/zinc/98/64/56/645986456.db2.gz PBPLUUIHCRQSDZ-UHFFFAOYSA-N 1 1 248.282 1.758 20 5 BDBDMO O=[N+]([O-])CC[N@@H+](CCc1ccccc1)C1CC1 ZINC000929368246 646100538 /nfs/dbraw/zinc/10/05/38/646100538.db2.gz 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QZTNRAVRSVAUBE-OIKLOGQESA-N 1 1 249.314 1.605 20 5 BDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001332850351 975296446 /nfs/dbraw/zinc/29/64/46/975296446.db2.gz XRIRPGHQSMSTST-GMTAPVOTSA-N 1 1 212.293 1.774 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229398679 976861549 /nfs/dbraw/zinc/86/15/49/976861549.db2.gz YBKKXYRDLLDMJX-VIFPVBQESA-N 1 1 238.243 1.383 20 5 BDBDMO CC(C)n1cc([C@@H](C)[NH2+]CC[N+](=O)[O-])cn1 ZINC001337778469 978493257 /nfs/dbraw/zinc/49/32/57/978493257.db2.gz OJDZSBQSRVFSLH-SECBINFHSA-N 1 1 226.280 1.391 20 5 BDBDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC001341323725 979335209 /nfs/dbraw/zinc/33/52/09/979335209.db2.gz RZXAWORGVBSWOA-BBBLOLIVSA-N 1 1 200.282 1.630 20 5 BDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC001345019428 980523481 /nfs/dbraw/zinc/52/34/81/980523481.db2.gz RIOROXOXWUECJC-VHSXEESVSA-N 1 1 244.291 1.068 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC001351184476 982228856 /nfs/dbraw/zinc/22/88/56/982228856.db2.gz XCGJNZKZKPFVQY-NSHDSACASA-N 1 1 228.292 1.154 20 5 BDBDMO C[C@@H]1CC[C@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC001119805215 989413490 /nfs/dbraw/zinc/41/34/90/989413490.db2.gz GVJKIHQPJBOJJI-MNOVXSKESA-N 1 1 212.293 1.775 20 5 BDBDMO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001559839769 991280443 /nfs/dbraw/zinc/28/04/43/991280443.db2.gz MZYUUENDDGGTCN-CABZTGNLSA-N 1 1 236.271 1.550 20 5 BDBDMO C[C@]([NH3+])(C(=O)N1CCC1)c1cccc([N+](=O)[O-])c1 ZINC001576080709 993173368 /nfs/dbraw/zinc/17/33/68/993173368.db2.gz GNTBIQMNKLAPAO-GFCCVEGCSA-N 1 1 249.270 1.001 20 5 BDBDMO C[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037248569 361777058 /nfs/dbraw/zinc/77/70/58/361777058.db2.gz JVHVGAASBFXUSS-UHFFFAOYSA-N 1 1 249.314 1.779 20 5 BDBDMO C[C@@H](NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020083730 398304082 /nfs/dbraw/zinc/30/40/82/398304082.db2.gz VTWZRUCHBMDZRH-SNVBAGLBSA-N 1 1 237.303 1.807 20 5 BDBDMO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000521993110 398306742 /nfs/dbraw/zinc/30/67/42/398306742.db2.gz CZPMIKDNXWWQOO-NXEZZACHSA-N 1 1 237.303 1.810 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC(C)C ZINC000602770278 349725113 /nfs/dbraw/zinc/72/51/13/349725113.db2.gz YHKUFXGPUZJFGV-UHFFFAOYSA-N 1 1 240.307 1.688 20 5 BDBDMO C[C@@H](CNCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000038088051 343942239 /nfs/dbraw/zinc/94/22/39/343942239.db2.gz RXTBUQYROXYBIK-JTQLQIEISA-N 1 1 237.303 1.635 20 5 BDBDMO C[C@@H](CO)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000610369892 343948958 /nfs/dbraw/zinc/94/89/58/343948958.db2.gz OTIPQPLRADCLGA-SNVBAGLBSA-N 1 1 238.287 1.655 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)C1 ZINC000611468480 344744845 /nfs/dbraw/zinc/74/48/45/344744845.db2.gz RVRQNLFOMBBXEY-SECBINFHSA-N 1 1 238.291 1.442 20 5 BDBDMO Cc1cc(NCC(F)(F)C[NH3+])ncc1[N+](=O)[O-] ZINC000158848363 345584066 /nfs/dbraw/zinc/58/40/66/345584066.db2.gz VVIQARIVNZLSEI-UHFFFAOYSA-N 1 1 246.217 1.304 20 5 BDBDMO Cc1[nH+]cn(CCn2ccc([N+](=O)[O-])n2)c1C ZINC000176231873 180286660 /nfs/dbraw/zinc/28/66/60/180286660.db2.gz JMKHZEWREVNFNN-UHFFFAOYSA-N 1 1 235.247 1.305 20 5 BDBDMO Cc1[nH+]cn(CCn2cc([N+](=O)[O-])cn2)c1C ZINC000174848522 180286822 /nfs/dbraw/zinc/28/68/22/180286822.db2.gz UUHSIZYRTRDEFN-UHFFFAOYSA-N 1 1 235.247 1.305 20 5 BDBDMO Cc1nn(CC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000331334530 180388604 /nfs/dbraw/zinc/38/86/04/180388604.db2.gz PSZNSYKOZPAUBU-SNVBAGLBSA-N 1 1 238.291 1.584 20 5 BDBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000580358816 356432068 /nfs/dbraw/zinc/43/20/68/356432068.db2.gz MSKPEVKYXUETKL-VIFPVBQESA-N 1 1 236.275 1.130 20 5 BDBDMO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602833496 371845976 /nfs/dbraw/zinc/84/59/76/371845976.db2.gz VWDHBBXSXXWKCI-YUMQZZPRSA-N 1 1 224.264 1.169 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602833496 371845980 /nfs/dbraw/zinc/84/59/80/371845980.db2.gz VWDHBBXSXXWKCI-YUMQZZPRSA-N 1 1 224.264 1.169 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603090735 371868229 /nfs/dbraw/zinc/86/82/29/371868229.db2.gz ROFOZHYNWNPQBY-JQWIXIFHSA-N 1 1 234.255 1.161 20 5 BDBDMO C[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602758212 371838099 /nfs/dbraw/zinc/83/80/99/371838099.db2.gz DQUWWFIXZLMFTP-SECBINFHSA-N 1 1 238.291 1.703 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CC1 ZINC000602754542 371838234 /nfs/dbraw/zinc/83/82/34/371838234.db2.gz NPLHWCKLKDRBCU-UHFFFAOYSA-N 1 1 224.264 1.194 20 5 BDBDMO CCS[C@H]1CCCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791051738 583383900 /nfs/dbraw/zinc/38/39/00/583383900.db2.gz ICCKZFWUROVNRX-JTQLQIEISA-N 1 1 232.349 1.871 20 5 BDBDMO CCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653016 169077396 /nfs/dbraw/zinc/07/73/96/169077396.db2.gz NAOJTJIUUZQDIB-GFCCVEGCSA-N 1 1 238.287 1.970 20 5 BDBDMO C[C@]1(O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000178015828 384194949 /nfs/dbraw/zinc/19/49/49/384194949.db2.gz RSSCOLPPUFMHMZ-LBPRGKRZSA-N 1 1 236.271 1.552 20 5 BDBDMO CSCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120123276 384443172 /nfs/dbraw/zinc/44/31/72/384443172.db2.gz PCHHWMMXVSBRHA-UHFFFAOYSA-N 1 1 244.320 1.086 20 5 BDBDMO C[N@@H+](CCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000299303404 384512893 /nfs/dbraw/zinc/51/28/93/384512893.db2.gz ZAMDTPNAERKQSW-UHFFFAOYSA-N 1 1 224.260 1.409 20 5 BDBDMO C[C@H](CO)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000158876247 384560824 /nfs/dbraw/zinc/56/08/24/384560824.db2.gz UQKXNWJWTQJNFG-SECBINFHSA-N 1 1 224.260 1.407 20 5 BDBDMO Cc1ccnc(NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000162664696 384736507 /nfs/dbraw/zinc/73/65/07/384736507.db2.gz RWMJOQHFOUHRDB-UHFFFAOYSA-N 1 1 246.217 1.304 20 5 BDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353602853 385238166 /nfs/dbraw/zinc/23/81/66/385238166.db2.gz FILXQKOAYPNTEP-NSHDSACASA-N 1 1 249.314 1.731 20 5 BDBDMO C[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282529533 385768595 /nfs/dbraw/zinc/76/85/95/385768595.db2.gz QGXIUKNGODZAMF-UHFFFAOYSA-N 1 1 242.250 1.548 20 5 BDBDMO CC[N@@H+](CCO)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269475026 387184778 /nfs/dbraw/zinc/18/47/78/387184778.db2.gz VJANDOQFQZVPAO-JTQLQIEISA-N 1 1 238.287 1.970 20 5 BDBDMO C[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000122352556 388381434 /nfs/dbraw/zinc/38/14/34/388381434.db2.gz BPPZUOPDGARBGB-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@H]([NH3+])CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423223764 388688870 /nfs/dbraw/zinc/68/88/70/388688870.db2.gz ANAZALKYZOOPSS-UWVGGRQHSA-N 1 1 237.303 1.983 20 5 BDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000332420009 388790090 /nfs/dbraw/zinc/79/00/90/388790090.db2.gz BMUJAVTXOHALLM-UHFFFAOYSA-N 1 1 236.271 1.550 20 5 BDBDMO C[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000086336512 172757166 /nfs/dbraw/zinc/75/71/66/172757166.db2.gz CVSSJQJFPMFGCU-UHFFFAOYSA-N 1 1 244.678 1.672 20 5 BDBDMO C[N@@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000086336512 172757168 /nfs/dbraw/zinc/75/71/68/172757168.db2.gz CVSSJQJFPMFGCU-UHFFFAOYSA-N 1 1 244.678 1.672 20 5 BDBDMO COc1ccc(C[NH2+]CCF)cc1[N+](=O)[O-] ZINC000280661986 175106663 /nfs/dbraw/zinc/10/66/63/175106663.db2.gz LEFFEKCQWSQGSY-UHFFFAOYSA-N 1 1 228.223 1.663 20 5 BDBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355343972 176362446 /nfs/dbraw/zinc/36/24/46/176362446.db2.gz PKGFYIPXEOJNKN-RKDXNWHRSA-N 1 1 238.291 1.559 20 5 BDBDMO C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174881807 177109766 /nfs/dbraw/zinc/10/97/66/177109766.db2.gz KQHBMNINHDWEME-VIFPVBQESA-N 1 1 224.264 1.276 20 5 BDBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357953495 177319126 /nfs/dbraw/zinc/31/91/26/177319126.db2.gz BYCQOKZFSUZSRR-VHSXEESVSA-N 1 1 238.291 1.522 20 5 BDBDMO CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665266 325164458 /nfs/dbraw/zinc/16/44/58/325164458.db2.gz UPZHZSDJUKHBBM-VIFPVBQESA-N 1 1 236.275 1.496 20 5 BDBDMO CC[C@@H](C)C[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000111165305 588725324 /nfs/dbraw/zinc/72/53/24/588725324.db2.gz HZCATYGQKCMEBW-SECBINFHSA-N 1 1 226.280 1.727 20 5 BDBDMO CC[C@@H](C)C[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000111165305 588725325 /nfs/dbraw/zinc/72/53/25/588725325.db2.gz HZCATYGQKCMEBW-SECBINFHSA-N 1 1 226.280 1.727 20 5 BDBDMO Cn1c[nH+]cc1CCOc1cccc([N+](=O)[O-])c1 ZINC000853635960 588751007 /nfs/dbraw/zinc/75/10/07/588751007.db2.gz PAALAKXQUBJWHA-UHFFFAOYSA-N 1 1 247.254 1.950 20 5 BDBDMO C[N@H+](C[C@@H]1CC1(C)C)Cn1nccc1[N+](=O)[O-] ZINC000853628252 583058779 /nfs/dbraw/zinc/05/87/79/583058779.db2.gz QPSLIRNVYWIBGU-VIFPVBQESA-N 1 1 238.291 1.727 20 5 BDBDMO C[N@@H+](C[C@@H]1CC1(C)C)Cn1nccc1[N+](=O)[O-] ZINC000853628252 583058781 /nfs/dbraw/zinc/05/87/81/583058781.db2.gz QPSLIRNVYWIBGU-VIFPVBQESA-N 1 1 238.291 1.727 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000895767741 583723108 /nfs/dbraw/zinc/72/31/08/583723108.db2.gz QQTUBHSDQKYOGD-SSDOTTSWSA-N 1 1 240.238 1.245 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000895767741 583723110 /nfs/dbraw/zinc/72/31/10/583723110.db2.gz QQTUBHSDQKYOGD-SSDOTTSWSA-N 1 1 240.238 1.245 20 5 BDBDMO CC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000727825375 583779879 /nfs/dbraw/zinc/77/98/79/583779879.db2.gz PMWMQJXFAKADOM-SECBINFHSA-N 1 1 224.264 1.623 20 5 BDBDMO CC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000727825375 583779880 /nfs/dbraw/zinc/77/98/80/583779880.db2.gz PMWMQJXFAKADOM-SECBINFHSA-N 1 1 224.264 1.623 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(Cl)nc1 ZINC000899869838 584244421 /nfs/dbraw/zinc/24/44/21/584244421.db2.gz AZZMWOLXYSVMES-UHFFFAOYSA-N 1 1 215.640 1.101 20 5 BDBDMO CC(C)[C@@H]1[N@@H+](CC[N+](=O)[O-])CC12CC=CC2 ZINC000899891511 584246560 /nfs/dbraw/zinc/24/65/60/584246560.db2.gz PTDGQQJCNVKICB-NSHDSACASA-N 1 1 224.304 1.940 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000902994483 584711814 /nfs/dbraw/zinc/71/18/14/584711814.db2.gz CNTGJPXDMUUFJZ-SECBINFHSA-N 1 1 242.254 1.225 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](F)C2)c1 ZINC000902994483 584711815 /nfs/dbraw/zinc/71/18/15/584711815.db2.gz CNTGJPXDMUUFJZ-SECBINFHSA-N 1 1 242.254 1.225 20 5 BDBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000744442074 585150230 /nfs/dbraw/zinc/15/02/30/585150230.db2.gz WHIZIGNYDZSCJH-UWVGGRQHSA-N 1 1 238.291 1.869 20 5 BDBDMO CC(C)[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000755919614 585310610 /nfs/dbraw/zinc/31/06/10/585310610.db2.gz JDNFIEPIBCNTHV-JTQLQIEISA-N 1 1 238.291 1.727 20 5 BDBDMO CC[N@H+](CCC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000760537435 585393972 /nfs/dbraw/zinc/39/39/72/585393972.db2.gz PRGQFEVEGCOELL-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[N@@H+](CCC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000760537435 585393973 /nfs/dbraw/zinc/39/39/73/585393973.db2.gz PRGQFEVEGCOELL-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859807 585769280 /nfs/dbraw/zinc/76/92/80/585769280.db2.gz PGEJXKDXIVEYHA-SNVBAGLBSA-N 1 1 238.291 1.932 20 5 BDBDMO CC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859807 585769281 /nfs/dbraw/zinc/76/92/81/585769281.db2.gz PGEJXKDXIVEYHA-SNVBAGLBSA-N 1 1 238.291 1.932 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782623123 585823153 /nfs/dbraw/zinc/82/31/53/585823153.db2.gz YWWBWDXJGGJJRO-YPMHNXCESA-N 1 1 248.282 1.409 20 5 BDBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000791055810 585973741 /nfs/dbraw/zinc/97/37/41/585973741.db2.gz YVDPIBJRKVYIKB-GHMZBOCLSA-N 1 1 238.291 1.043 20 5 BDBDMO Cc1ccc(-c2noc([C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000843179179 588090185 /nfs/dbraw/zinc/09/01/85/588090185.db2.gz ZGHPIOMTWMKVIN-SSDOTTSWSA-N 1 1 248.242 1.973 20 5 BDBDMO C[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219114 588093861 /nfs/dbraw/zinc/09/38/61/588093861.db2.gz WAFXNUNJVCHJMV-BYPYZUCNSA-N 1 1 240.244 1.726 20 5 BDBDMO C[N@@H+](CCCF)CCn1ccc([N+](=O)[O-])n1 ZINC000887139084 592454782 /nfs/dbraw/zinc/45/47/82/592454782.db2.gz ZCIZMLLQGUMLTP-UHFFFAOYSA-N 1 1 230.243 1.083 20 5 BDBDMO CC(C)Oc1ccc(C[NH2+]CC[N+](=O)[O-])cn1 ZINC000905050546 637569642 /nfs/dbraw/zinc/56/96/42/637569642.db2.gz PFPDWRGUDHFATR-UHFFFAOYSA-N 1 1 239.275 1.235 20 5 BDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCC[N+](=O)[O-] ZINC000905066038 637599019 /nfs/dbraw/zinc/59/90/19/637599019.db2.gz AURMHVZRZILNOU-GRYCIOLGSA-N 1 1 243.351 1.219 20 5 BDBDMO CCOc1cc(C)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905158150 637640146 /nfs/dbraw/zinc/64/01/46/637640146.db2.gz DQIHMQAKMACPIX-UHFFFAOYSA-N 1 1 238.287 1.760 20 5 BDBDMO CCc1noc(CC)c1C[NH2+]CC[N+](=O)[O-] ZINC000905158719 637640168 /nfs/dbraw/zinc/64/01/68/637640168.db2.gz HZFYQHNEWQJVLF-UHFFFAOYSA-N 1 1 227.264 1.166 20 5 BDBDMO C[C@H]1Oc2ccccc2[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905260885 637716109 /nfs/dbraw/zinc/71/61/09/637716109.db2.gz OVNNOWWMLWTLME-KCJUWKMLSA-N 1 1 222.244 1.375 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000930477839 639775985 /nfs/dbraw/zinc/77/59/85/639775985.db2.gz MYIYWIQFJTVFNE-GFCCVEGCSA-N 1 1 235.287 1.538 20 5 BDBDMO C/C=C\C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931339154 640165320 /nfs/dbraw/zinc/16/53/20/640165320.db2.gz VXLGDTCQLAPIHV-OTDNITJGSA-N 1 1 212.293 1.941 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000931501698 640237367 /nfs/dbraw/zinc/23/73/67/640237367.db2.gz CHSSTGMNPVSYFT-JTQLQIEISA-N 1 1 244.678 1.240 20 5 BDBDMO CN(CCCC[NH+]1CCCCC1)CC[N+](=O)[O-] ZINC000931703425 640328514 /nfs/dbraw/zinc/32/85/14/640328514.db2.gz JPINWNSUXYRPEB-UHFFFAOYSA-N 1 1 243.351 1.461 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931922905 640390414 /nfs/dbraw/zinc/39/04/14/640390414.db2.gz KYCPGWIASYQPSC-OLZOCXBDSA-N 1 1 232.283 1.537 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000929811131 641641435 /nfs/dbraw/zinc/64/14/35/641641435.db2.gz IOVYTWJUNSEWDM-NSHDSACASA-N 1 1 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349550988 /nfs/dbraw/zinc/55/09/88/349550988.db2.gz PAJZSRGGZXZSQZ-JTQLQIEISA-N 1 1 238.291 1.703 20 5 BDBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000602439232 342913710 /nfs/dbraw/zinc/91/37/10/342913710.db2.gz IINYQOOMODCIQP-UHFFFAOYSA-N 1 1 240.307 1.806 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061707771 398343621 /nfs/dbraw/zinc/34/36/21/398343621.db2.gz PYCWMKHHQBPRTP-NSHDSACASA-N 1 1 222.244 1.161 20 5 BDBDMO Cc1ccc([N+](=O)[O-])c(NCC(F)(F)C[NH3+])c1 ZINC000158848784 345583586 /nfs/dbraw/zinc/58/35/86/345583586.db2.gz PYRJFDLXVIMAFR-UHFFFAOYSA-N 1 1 245.229 1.909 20 5 BDBDMO C[C@@H](CCO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000593109109 347860595 /nfs/dbraw/zinc/86/05/95/347860595.db2.gz IEIJSDMQVABVEZ-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO CC[C@@H](C)[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000595600939 348295376 /nfs/dbraw/zinc/29/53/76/348295376.db2.gz QXJSMSPBAJNTHT-SNVBAGLBSA-N 1 1 240.307 1.912 20 5 BDBDMO O=[N+]([O-])c1ccsc1NCC[NH+]1CCC1 ZINC000308959001 349202801 /nfs/dbraw/zinc/20/28/01/349202801.db2.gz YLRZLRZLHVAKPL-UHFFFAOYSA-N 1 1 227.289 1.774 20 5 BDBDMO Cc1cn(CCn2c(C)ncc2[N+](=O)[O-])c(C)[nH+]1 ZINC000601911635 349377312 /nfs/dbraw/zinc/37/73/12/349377312.db2.gz HMBDTTRTCLDPFP-UHFFFAOYSA-N 1 1 249.274 1.613 20 5 BDBDMO Cc1ccc([C@H](C)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000037713498 188254795 /nfs/dbraw/zinc/25/47/95/188254795.db2.gz BUNDYCRIWWZIBR-JTQLQIEISA-N 1 1 237.303 1.903 20 5 BDBDMO CCC[N@@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000350700193 371588108 /nfs/dbraw/zinc/58/81/08/371588108.db2.gz JCDZGCKKFQFHPU-UHFFFAOYSA-N 1 1 226.280 1.523 20 5 BDBDMO C[C@@H](CO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601102892 371727788 /nfs/dbraw/zinc/72/77/88/371727788.db2.gz JIXQRZXZBCIUKQ-QMMMGPOBSA-N 1 1 247.254 1.358 20 5 BDBDMO Cc1[nH+]cn(CCn2c(C)ncc2[N+](=O)[O-])c1C ZINC000601914668 371775034 /nfs/dbraw/zinc/77/50/34/371775034.db2.gz WQCXCFBOLHXHCB-UHFFFAOYSA-N 1 1 249.274 1.613 20 5 BDBDMO Cn1cc(C[N@@H+](C)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602432134 371802569 /nfs/dbraw/zinc/80/25/69/371802569.db2.gz WANRFEDVVUZMSX-UHFFFAOYSA-N 1 1 238.291 1.703 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603090738 371868341 /nfs/dbraw/zinc/86/83/41/371868341.db2.gz ROFOZHYNWNPQBY-ZYHUDNBSSA-N 1 1 234.255 1.161 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000603095861 371868627 /nfs/dbraw/zinc/86/86/27/371868627.db2.gz XPQQFZAUDVMAOI-ZYHUDNBSSA-N 1 1 234.255 1.161 20 5 BDBDMO CCc1[nH+]ccn1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603329502 371884653 /nfs/dbraw/zinc/88/46/53/371884653.db2.gz ZUXCHVBQUDNVNX-UHFFFAOYSA-N 1 1 235.247 1.136 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CCC1 ZINC000602782249 371839947 /nfs/dbraw/zinc/83/99/47/371839947.db2.gz LXEUBQPECYBZJR-UHFFFAOYSA-N 1 1 238.291 1.584 20 5 BDBDMO CN(CCC[NH3+])CCc1ccccc1[N+](=O)[O-] ZINC000133816767 372118188 /nfs/dbraw/zinc/11/81/88/372118188.db2.gz VTQFDAZQPTUQGS-UHFFFAOYSA-N 1 1 237.303 1.418 20 5 BDBDMO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000163223482 384180510 /nfs/dbraw/zinc/18/05/10/384180510.db2.gz BBLIXNBSZZQNQP-CMPLNLGQSA-N 1 1 249.314 1.764 20 5 BDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000340946940 385309490 /nfs/dbraw/zinc/30/94/90/385309490.db2.gz CQRPPWSOXVPCGZ-KOLCDFICSA-N 1 1 236.271 1.550 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1CCOC1)CC2 ZINC000408064774 385536096 /nfs/dbraw/zinc/53/60/96/385536096.db2.gz WKHCWBGLXIQENT-CYBMUJFWSA-N 1 1 248.282 1.742 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1CCOC1)CC2 ZINC000408064774 385536100 /nfs/dbraw/zinc/53/61/00/385536100.db2.gz WKHCWBGLXIQENT-CYBMUJFWSA-N 1 1 248.282 1.742 20 5 BDBDMO C[C@@H](CO)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000282865338 385791866 /nfs/dbraw/zinc/79/18/66/385791866.db2.gz UDLVSIOKRAJILH-ZETCQYMHSA-N 1 1 230.289 1.469 20 5 BDBDMO C[C@@H](CO)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000282865338 385791869 /nfs/dbraw/zinc/79/18/69/385791869.db2.gz UDLVSIOKRAJILH-ZETCQYMHSA-N 1 1 230.289 1.469 20 5 BDBDMO COc1cc(C)[nH+]c(Cn2cnc([N+](=O)[O-])c2)c1 ZINC000270151186 387510073 /nfs/dbraw/zinc/51/00/73/387510073.db2.gz RLTCFBWDFZXBGB-UHFFFAOYSA-N 1 1 248.242 1.552 20 5 BDBDMO Cc1c(NC(=O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000192788330 387491857 /nfs/dbraw/zinc/49/18/57/387491857.db2.gz VPCWDMOJYIMQNU-UHFFFAOYSA-N 1 1 237.259 1.403 20 5 BDBDMO C[C@@H](C[NH+](C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000168696313 387581263 /nfs/dbraw/zinc/58/12/63/387581263.db2.gz DVCWFSHUMPPQEE-JTQLQIEISA-N 1 1 237.303 1.635 20 5 BDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000046602294 388032645 /nfs/dbraw/zinc/03/26/45/388032645.db2.gz MLIGHFYWRCMMMT-UHFFFAOYSA-N 1 1 249.270 1.288 20 5 BDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000046602294 388032647 /nfs/dbraw/zinc/03/26/47/388032647.db2.gz MLIGHFYWRCMMMT-UHFFFAOYSA-N 1 1 249.270 1.288 20 5 BDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](O)C1 ZINC000271114079 388373379 /nfs/dbraw/zinc/37/33/79/388373379.db2.gz VOYXZLJJQZSHPZ-PYEVWLCESA-N 1 1 248.282 1.675 20 5 BDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000078640758 388683434 /nfs/dbraw/zinc/68/34/34/388683434.db2.gz TXUSQKIYHRATKT-UHFFFAOYSA-N 1 1 238.287 1.798 20 5 BDBDMO C[C@@H](NCC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423240187 388690013 /nfs/dbraw/zinc/69/00/13/388690013.db2.gz WZUGFJGDAOAKAA-VHSXEESVSA-N 1 1 237.303 1.983 20 5 BDBDMO O=[N+]([O-])c1cccc(C[NH2+]CCc2nc[nH]n2)c1 ZINC000080573117 388711283 /nfs/dbraw/zinc/71/12/83/388711283.db2.gz IXQKLOAZTSYWEI-UHFFFAOYSA-N 1 1 247.258 1.045 20 5 BDBDMO [NH3+]CC(F)(F)CNc1c(F)cccc1[N+](=O)[O-] ZINC000261543669 135184606 /nfs/dbraw/zinc/18/46/06/135184606.db2.gz DEHGWXCDWDVYFF-UHFFFAOYSA-N 1 1 249.192 1.740 20 5 BDBDMO Cc1ccc(C[N@H+](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000289389621 410262205 /nfs/dbraw/zinc/26/22/05/410262205.db2.gz DRVUDVSTBOSHJH-JTQLQIEISA-N 1 1 238.287 1.716 20 5 BDBDMO C[N@H+]1CC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000037647735 173116745 /nfs/dbraw/zinc/11/67/45/173116745.db2.gz HYHZYNZTYYMIOG-VIFPVBQESA-N 1 1 236.275 1.353 20 5 BDBDMO C[N@@H+]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000042546036 173154038 /nfs/dbraw/zinc/15/40/38/173154038.db2.gz BZBBMCWKPFASHM-VIFPVBQESA-N 1 1 241.316 1.450 20 5 BDBDMO C[N@H+]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000042546036 173154041 /nfs/dbraw/zinc/15/40/41/173154041.db2.gz BZBBMCWKPFASHM-VIFPVBQESA-N 1 1 241.316 1.450 20 5 BDBDMO C[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])ccn2)C1 ZINC000043568057 173154590 /nfs/dbraw/zinc/15/45/90/173154590.db2.gz CPBFVZHQPKRQMJ-QMMMGPOBSA-N 1 1 222.248 1.106 20 5 BDBDMO C[NH2+]Cc1noc(-c2cccc([N+](=O)[O-])c2C)n1 ZINC000051848564 173399723 /nfs/dbraw/zinc/39/97/23/173399723.db2.gz UJKUUTXLAMFKLT-UHFFFAOYSA-N 1 1 248.242 1.673 20 5 BDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123193210 177186312 /nfs/dbraw/zinc/18/63/12/177186312.db2.gz OPORJVWOOICZDP-AOOOYVTPSA-N 1 1 238.291 1.664 20 5 BDBDMO Cc1c(C[N@H+](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000051822056 488049262 /nfs/dbraw/zinc/04/92/62/488049262.db2.gz ZKGXZFCWVIHSFI-SECBINFHSA-N 1 1 238.287 1.716 20 5 BDBDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814042743 583338388 /nfs/dbraw/zinc/33/83/88/583338388.db2.gz MWUUORPJIQEJEP-ZJUUUORDSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814042743 583338390 /nfs/dbraw/zinc/33/83/90/583338390.db2.gz MWUUORPJIQEJEP-ZJUUUORDSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814042741 583338455 /nfs/dbraw/zinc/33/84/55/583338455.db2.gz MWUUORPJIQEJEP-UWVGGRQHSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814042741 583338456 /nfs/dbraw/zinc/33/84/56/583338456.db2.gz MWUUORPJIQEJEP-UWVGGRQHSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000727824696 583778855 /nfs/dbraw/zinc/77/88/55/583778855.db2.gz KGBKNEGNIWUBIO-VIFPVBQESA-N 1 1 224.264 1.623 20 5 BDBDMO CC[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000727824696 583778857 /nfs/dbraw/zinc/77/88/57/583778857.db2.gz KGBKNEGNIWUBIO-VIFPVBQESA-N 1 1 224.264 1.623 20 5 BDBDMO Cn1ncc(C2CCC2)c1C[NH2+]CC[N+](=O)[O-] ZINC000899892222 584248816 /nfs/dbraw/zinc/24/88/16/584248816.db2.gz OPUQJJWYISVMAJ-UHFFFAOYSA-N 1 1 238.291 1.054 20 5 BDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000902652644 584651627 /nfs/dbraw/zinc/65/16/27/584651627.db2.gz VZNYNFWMJKQIKG-UWVGGRQHSA-N 1 1 236.275 1.623 20 5 BDBDMO C[C@@H]1C[C@@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000740859367 585107515 /nfs/dbraw/zinc/10/75/15/585107515.db2.gz KECOJXRXJTYMSV-RKDXNWHRSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000740859367 585107516 /nfs/dbraw/zinc/10/75/16/585107516.db2.gz KECOJXRXJTYMSV-RKDXNWHRSA-N 1 1 224.264 1.479 20 5 BDBDMO CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CCC1 ZINC000779861612 585769152 /nfs/dbraw/zinc/76/91/52/585769152.db2.gz WWHSSWWNFBVRBF-UHFFFAOYSA-N 1 1 238.291 1.932 20 5 BDBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CCC1 ZINC000779861612 585769153 /nfs/dbraw/zinc/76/91/53/585769153.db2.gz WWHSSWWNFBVRBF-UHFFFAOYSA-N 1 1 238.291 1.932 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCc2ccccc2C1 ZINC000791054798 585973058 /nfs/dbraw/zinc/97/30/58/585973058.db2.gz XYDOSMNUUMLERJ-UHFFFAOYSA-N 1 1 206.245 1.321 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCc2ccccc2C1 ZINC000791054798 585973059 /nfs/dbraw/zinc/97/30/59/585973059.db2.gz XYDOSMNUUMLERJ-UHFFFAOYSA-N 1 1 206.245 1.321 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000791053531 585973223 /nfs/dbraw/zinc/97/32/23/585973223.db2.gz TWOOJHMOLGDKMI-NXEZZACHSA-N 1 1 230.333 1.623 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000791055735 585973629 /nfs/dbraw/zinc/97/36/29/585973629.db2.gz WIAHVHZAOJUILW-NSHDSACASA-N 1 1 221.260 1.495 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000791055735 585973630 /nfs/dbraw/zinc/97/36/30/585973630.db2.gz WIAHVHZAOJUILW-NSHDSACASA-N 1 1 221.260 1.495 20 5 BDBDMO C[C@@H](NCCC[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817938215 586844197 /nfs/dbraw/zinc/84/41/97/586844197.db2.gz GWYXKZNUFUZMIY-MRVPVSSYSA-N 1 1 238.291 1.176 20 5 BDBDMO COCCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885967264 592118325 /nfs/dbraw/zinc/11/83/25/592118325.db2.gz LBUDNZNAMLQSFN-UHFFFAOYSA-N 1 1 239.275 1.458 20 5 BDBDMO COCCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885967264 592118328 /nfs/dbraw/zinc/11/83/28/592118328.db2.gz LBUDNZNAMLQSFN-UHFFFAOYSA-N 1 1 239.275 1.458 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000905029479 637577724 /nfs/dbraw/zinc/57/77/24/637577724.db2.gz CCAZHXATECYSAO-UHFFFAOYSA-N 1 1 246.270 1.239 20 5 BDBDMO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC[N+](=O)[O-])o1 ZINC000905056413 637587557 /nfs/dbraw/zinc/58/75/57/637587557.db2.gz ZHGBSWVRLBADGA-PSASIEDQSA-N 1 1 224.260 1.769 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@@H]1CSc2ccccc21 ZINC000905126772 637641842 /nfs/dbraw/zinc/64/18/42/637641842.db2.gz HJOZBWOEGVJIFA-SECBINFHSA-N 1 1 224.285 1.700 20 5 BDBDMO CO[C@@]1(C)CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000930286103 639681452 /nfs/dbraw/zinc/68/14/52/639681452.db2.gz NRFNALNCGSXVEI-JTQLQIEISA-N 1 1 216.281 1.154 20 5 BDBDMO CSC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930557720 639811119 /nfs/dbraw/zinc/81/11/19/639811119.db2.gz CHFKZMFYVYTKMP-VIFPVBQESA-N 1 1 218.322 1.338 20 5 BDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000930596118 639815910 /nfs/dbraw/zinc/81/59/10/639815910.db2.gz ZLPOJRJLJLYYKN-QMMMGPOBSA-N 1 1 239.231 1.522 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000930824577 639926129 /nfs/dbraw/zinc/92/61/29/639926129.db2.gz DSMGOQZPKQITHN-LLVKDONJSA-N 1 1 212.293 1.918 20 5 BDBDMO C[N@H+](CCOCc1ccccc1)CC[N+](=O)[O-] ZINC000929825112 641700068 /nfs/dbraw/zinc/70/00/68/641700068.db2.gz NDJQJEOAVRSAEZ-UHFFFAOYSA-N 1 1 238.287 1.412 20 5 BDBDMO C[N@@H+](CCOCc1ccccc1)CC[N+](=O)[O-] ZINC000929825112 641700071 /nfs/dbraw/zinc/70/00/71/641700071.db2.gz NDJQJEOAVRSAEZ-UHFFFAOYSA-N 1 1 238.287 1.412 20 5 BDBDMO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245773701 644540889 /nfs/dbraw/zinc/54/08/89/644540889.db2.gz SSEJGHJYYUKWSP-NXEZZACHSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245773701 644540896 /nfs/dbraw/zinc/54/08/96/644540896.db2.gz SSEJGHJYYUKWSP-NXEZZACHSA-N 1 1 238.291 1.727 20 5 BDBDMO CCOc1ccc(C[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929208254 646006656 /nfs/dbraw/zinc/00/66/56/646006656.db2.gz BCAOKMMQSDUGKL-UHFFFAOYSA-N 1 1 238.287 1.794 20 5 BDBDMO CCOc1ccc(C[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929208254 646006662 /nfs/dbraw/zinc/00/66/62/646006662.db2.gz BCAOKMMQSDUGKL-UHFFFAOYSA-N 1 1 238.287 1.794 20 5 BDBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])Cc2ccccc21 ZINC000929217966 646017798 /nfs/dbraw/zinc/01/77/98/646017798.db2.gz DMUOCHNNYDOWPO-SNVBAGLBSA-N 1 1 220.272 1.882 20 5 BDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])Cc2ccccc21 ZINC000929217966 646017802 /nfs/dbraw/zinc/01/78/02/646017802.db2.gz DMUOCHNNYDOWPO-SNVBAGLBSA-N 1 1 220.272 1.882 20 5 BDBDMO CC(C)[N@H+](CC[N+](=O)[O-])Cc1ccco1 ZINC000929368039 646101609 /nfs/dbraw/zinc/10/16/09/646101609.db2.gz VERBTJIJACAFID-UHFFFAOYSA-N 1 1 212.249 1.767 20 5 BDBDMO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1ccco1 ZINC000929368039 646101612 /nfs/dbraw/zinc/10/16/12/646101612.db2.gz VERBTJIJACAFID-UHFFFAOYSA-N 1 1 212.249 1.767 20 5 BDBDMO CCCO[C@H]1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000929603086 646195292 /nfs/dbraw/zinc/19/52/92/646195292.db2.gz BUHMIKCSRGXHSV-NSHDSACASA-N 1 1 230.308 1.544 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000929812820 646331862 /nfs/dbraw/zinc/33/18/62/646331862.db2.gz ADYBJATUZZSOQJ-LBPRGKRZSA-N 1 1 220.272 1.580 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000929812820 646331870 /nfs/dbraw/zinc/33/18/70/646331870.db2.gz ADYBJATUZZSOQJ-LBPRGKRZSA-N 1 1 220.272 1.580 20 5 BDBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC[N+](=O)[O-] ZINC000930034432 646404703 /nfs/dbraw/zinc/40/47/03/646404703.db2.gz AUCUKZRPLYNXDA-WDEREUQCSA-N 1 1 244.335 1.789 20 5 BDBDMO CC[N@H+](CCc1nccs1)CC[N+](=O)[O-] ZINC000930087378 646428087 /nfs/dbraw/zinc/42/80/87/646428087.db2.gz NAJLERVEEJXHTO-UHFFFAOYSA-N 1 1 229.305 1.284 20 5 BDBDMO CC[N@@H+](CCc1nccs1)CC[N+](=O)[O-] ZINC000930087378 646428091 /nfs/dbraw/zinc/42/80/91/646428091.db2.gz NAJLERVEEJXHTO-UHFFFAOYSA-N 1 1 229.305 1.284 20 5 BDBDMO COC(C)(C)C[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000758405104 712408631 /nfs/dbraw/zinc/40/86/31/712408631.db2.gz LUJNDXZFUKIOEB-UHFFFAOYSA-N 1 1 242.279 1.106 20 5 BDBDMO COC(C)(C)C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000758405104 712408632 /nfs/dbraw/zinc/40/86/32/712408632.db2.gz LUJNDXZFUKIOEB-UHFFFAOYSA-N 1 1 242.279 1.106 20 5 BDBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1C ZINC000719570966 712810864 /nfs/dbraw/zinc/81/08/64/712810864.db2.gz FJOJTNOCKDIULW-PSASIEDQSA-N 1 1 236.275 1.494 20 5 BDBDMO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000719572884 712811108 /nfs/dbraw/zinc/81/11/08/712811108.db2.gz VQFXNQKSMPPPBD-NKWVEPMBSA-N 1 1 242.304 1.556 20 5 BDBDMO C[C@H]1[C@@H](Nc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000719575845 712811652 /nfs/dbraw/zinc/81/16/52/712811652.db2.gz QOUOXKRUYOKRTI-IUCAKERBSA-N 1 1 236.275 1.494 20 5 BDBDMO C[NH2+][C@@H]1CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001156639852 963425388 /nfs/dbraw/zinc/42/53/88/963425388.db2.gz WZWZBMSQGOHICV-QMMMGPOBSA-N 1 1 242.666 1.399 20 5 BDBDMO C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007092 969331667 /nfs/dbraw/zinc/33/16/67/969331667.db2.gz KVHUJMKCZUWWNC-YTWAJWBKSA-N 1 1 230.283 1.864 20 5 BDBDMO CC[N@@H+](C1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005750 969329283 /nfs/dbraw/zinc/32/92/83/969329283.db2.gz CRFXQDVSBLBLRC-MWLCHTKSSA-N 1 1 212.293 1.916 20 5 BDBDMO C[NH2+][C@H]1CCN1c1ncc([N+](=O)[O-])c(C)c1C ZINC001156660282 963432433 /nfs/dbraw/zinc/43/24/33/963432433.db2.gz RGEULJYJQCHGIA-SNVBAGLBSA-N 1 1 236.275 1.362 20 5 BDBDMO C[N@H+]1CCC[C@H]1CO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224817282 964986063 /nfs/dbraw/zinc/98/60/63/964986063.db2.gz LILGSWPDZXOFOY-QWRGUYRKSA-N 1 1 228.292 1.153 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009673 969335354 /nfs/dbraw/zinc/33/53/54/969335354.db2.gz XCIULFPSKWZYKC-WRWGMCAJSA-N 1 1 242.319 1.541 20 5 BDBDMO CN1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009054 969335787 /nfs/dbraw/zinc/33/57/87/969335787.db2.gz UPEBYJVFELXJPI-RYUDHWBXSA-N 1 1 241.335 1.069 20 5 BDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1O ZINC001169010661 969336941 /nfs/dbraw/zinc/33/69/41/969336941.db2.gz FHRLDSCGKXICSB-WISYIIOYSA-N 1 1 242.319 1.135 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC3(COC3)C2)C1 ZINC001169010704 969338693 /nfs/dbraw/zinc/33/86/93/969338693.db2.gz FRNZTQIFOTWNST-GHMZBOCLSA-N 1 1 240.303 1.154 20 5 BDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169012477 969338712 /nfs/dbraw/zinc/33/87/12/969338712.db2.gz QNGUXXXVWGNDSO-KKOKHZNYSA-N 1 1 242.319 1.277 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](F)C2)C1 ZINC001169010933 969339287 /nfs/dbraw/zinc/33/92/87/969339287.db2.gz GHSQPLIEQBPOJT-OPRDCNLKSA-N 1 1 216.256 1.476 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@H]3OCC[C@H]32)C1 ZINC001169013790 969341101 /nfs/dbraw/zinc/34/11/01/969341101.db2.gz WJSFDCZLSCYRBO-NNYUYHANSA-N 1 1 240.303 1.295 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCC23COC3)C1 ZINC001169034547 969351717 /nfs/dbraw/zinc/35/17/17/969351717.db2.gz HOPHASQEZLGERC-QWRGUYRKSA-N 1 1 240.303 1.297 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOCC23CC3)C1 ZINC001169040055 969356254 /nfs/dbraw/zinc/35/62/54/969356254.db2.gz XHCYDSOFLSBIBC-MNOVXSKESA-N 1 1 240.303 1.297 20 5 BDBDMO COC[C@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041609 969358134 /nfs/dbraw/zinc/35/81/34/969358134.db2.gz BLTDNKVWQOLNPI-SDDRHHMPSA-N 1 1 242.319 1.400 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]3C[C@H]32)C1 ZINC001169042444 969362857 /nfs/dbraw/zinc/36/28/57/969362857.db2.gz DMHRXZOXEHPVTB-NOOOWODRSA-N 1 1 224.304 1.916 20 5 BDBDMO CC(=O)[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169049248 969363330 /nfs/dbraw/zinc/36/33/30/969363330.db2.gz WJDNMEBXMSQLDD-UTUOFQBUSA-N 1 1 240.303 1.343 20 5 BDBDMO C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCOC1 ZINC001169057898 969372653 /nfs/dbraw/zinc/37/26/53/969372653.db2.gz YTTXYKPSPXQEGK-SDDRHHMPSA-N 1 1 242.319 1.543 20 5 BDBDMO COC[C@@H]1CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169057413 969372749 /nfs/dbraw/zinc/37/27/49/969372749.db2.gz VAVYTQUGYVWTQX-VWYCJHECSA-N 1 1 228.292 1.153 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225591343 974578283 /nfs/dbraw/zinc/57/82/83/974578283.db2.gz XBIVUZDJGZHDDZ-MRVPVSSYSA-N 1 1 223.232 1.073 20 5 BDBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226710140 975042999 /nfs/dbraw/zinc/04/29/99/975042999.db2.gz MUFDCWLTFZSSRL-JTQLQIEISA-N 1 1 237.259 1.463 20 5 BDBDMO Cc1ccc(O[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001226951280 975181303 /nfs/dbraw/zinc/18/13/03/975181303.db2.gz WXMWQIYBVRQQTG-LLVKDONJSA-N 1 1 236.271 1.986 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])CC1(O)CCCCCC1 ZINC001332939740 975328018 /nfs/dbraw/zinc/32/80/18/975328018.db2.gz ZXCMGLPWTRXSQI-UHFFFAOYSA-N 1 1 230.308 1.280 20 5 BDBDMO O=[N+]([O-])C[C@H](Oc1ccc2[nH+]ccn2c1)C1CC1 ZINC001233756360 978689306 /nfs/dbraw/zinc/68/93/06/978689306.db2.gz ZRJHZPRNWVAIQD-NSHDSACASA-N 1 1 247.254 1.768 20 5 BDBDMO CC[N@H+]1CC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233856741 978715521 /nfs/dbraw/zinc/71/55/21/978715521.db2.gz FNWGHCQCJDBTKP-SNVBAGLBSA-N 1 1 237.259 1.463 20 5 BDBDMO Cc1nccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C)C1 ZINC001234903378 978928029 /nfs/dbraw/zinc/92/80/29/978928029.db2.gz LVSNPXPKXLEKBN-SECBINFHSA-N 1 1 237.259 1.381 20 5 BDBDMO CO[C@@H](C)C[N@@H+](CC[N+](=O)[O-])C(C)C ZINC001191099612 980968558 /nfs/dbraw/zinc/96/85/58/980968558.db2.gz OMVBLFFTGSBRAP-VIFPVBQESA-N 1 1 204.270 1.008 20 5 BDBDMO CO[C@H](C)C[N@@H+](CC[N+](=O)[O-])C(C)C ZINC001191099606 980968863 /nfs/dbraw/zinc/96/88/63/980968863.db2.gz OMVBLFFTGSBRAP-SECBINFHSA-N 1 1 204.270 1.008 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC001351312330 982276427 /nfs/dbraw/zinc/27/64/27/982276427.db2.gz KUFCVMHZTRCTNO-CYBMUJFWSA-N 1 1 248.282 1.395 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC001351312330 982276435 /nfs/dbraw/zinc/27/64/35/982276435.db2.gz KUFCVMHZTRCTNO-CYBMUJFWSA-N 1 1 248.282 1.395 20 5 BDBDMO Cc1ncc([N+](=O)[O-])cc1Nc1c[nH+]ncc1N ZINC001249547176 989306531 /nfs/dbraw/zinc/30/65/31/989306531.db2.gz VFKLCMFYNWRIBK-UHFFFAOYSA-N 1 1 246.230 1.414 20 5 BDBDMO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC001120602592 989776811 /nfs/dbraw/zinc/77/68/11/989776811.db2.gz FYZUWQSWKUHLAW-VIFPVBQESA-N 1 1 209.249 1.399 20 5 BDBDMO [NH3+]CC(F)(F)CNc1ccc([N+](=O)[O-])cc1 ZINC000158847733 136214108 /nfs/dbraw/zinc/21/41/08/136214108.db2.gz QODHUOSFNIGUTC-UHFFFAOYSA-N 1 1 231.202 1.601 20 5 BDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061708270 398343660 /nfs/dbraw/zinc/34/36/60/398343660.db2.gz JKOWMDIPYUTDPO-LBPRGKRZSA-N 1 1 236.271 1.204 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000038006013 343364889 /nfs/dbraw/zinc/36/48/89/343364889.db2.gz CXQZTFLRYPKZHL-UHFFFAOYSA-N 1 1 232.243 1.608 20 5 BDBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000145884785 345711819 /nfs/dbraw/zinc/71/18/19/345711819.db2.gz YNWGNARPAAFMFW-GFCCVEGCSA-N 1 1 236.271 1.816 20 5 BDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]21 ZINC000590719033 347501052 /nfs/dbraw/zinc/50/10/52/347501052.db2.gz CGXSNKURJRSGBJ-KOLCDFICSA-N 1 1 248.286 1.130 20 5 BDBDMO Cc1noc(C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000595292494 348214513 /nfs/dbraw/zinc/21/45/13/348214513.db2.gz RLAVRJQVJLUXSK-UHFFFAOYSA-N 1 1 211.221 1.487 20 5 BDBDMO Cc1noc(C[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595335031 348220503 /nfs/dbraw/zinc/22/05/03/348220503.db2.gz REUJYZPMWISLLO-SSDOTTSWSA-N 1 1 225.248 1.876 20 5 BDBDMO Cc1noc(C[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595335031 348220505 /nfs/dbraw/zinc/22/05/05/348220505.db2.gz REUJYZPMWISLLO-SSDOTTSWSA-N 1 1 225.248 1.876 20 5 BDBDMO CC[C@@H](C)[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000595592047 348277457 /nfs/dbraw/zinc/27/74/57/348277457.db2.gz AQOZZFUPXLIKOU-SNVBAGLBSA-N 1 1 240.307 1.912 20 5 BDBDMO CC12CC(C1)C[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000595915151 348399847 /nfs/dbraw/zinc/39/98/47/348399847.db2.gz KOXJLAIZLLHDCW-UHFFFAOYSA-N 1 1 236.275 1.276 20 5 BDBDMO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000089149827 357027414 /nfs/dbraw/zinc/02/74/14/357027414.db2.gz SADDHVJMEYPZNH-AAEUAGOBSA-N 1 1 249.314 1.812 20 5 BDBDMO C[C@H](C[NH+](C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000168696404 134242865 /nfs/dbraw/zinc/24/28/65/134242865.db2.gz DVCWFSHUMPPQEE-SNVBAGLBSA-N 1 1 237.303 1.635 20 5 BDBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000054127825 359398039 /nfs/dbraw/zinc/39/80/39/359398039.db2.gz MAVCEYWTNQKIDC-UHFFFAOYSA-N 1 1 224.264 1.353 20 5 BDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc[nH]n2)cc1 ZINC000080573119 370787953 /nfs/dbraw/zinc/78/79/53/370787953.db2.gz OHDWDIACOFKUHS-UHFFFAOYSA-N 1 1 247.258 1.045 20 5 BDBDMO O=[N+]([O-])c1ccc(C[NH+]2CC(CCO)C2)cc1 ZINC000459587962 203307306 /nfs/dbraw/zinc/30/73/06/203307306.db2.gz HBJYOGVKUMLXCN-UHFFFAOYSA-N 1 1 236.271 1.409 20 5 BDBDMO CCCC[N@@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602429249 371803907 /nfs/dbraw/zinc/80/39/07/371803907.db2.gz NUDOCUAYBQXBPR-UHFFFAOYSA-N 1 1 240.307 1.950 20 5 BDBDMO CC[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602487141 371813823 /nfs/dbraw/zinc/81/38/23/371813823.db2.gz UJVAAJWMZAYPCI-SECBINFHSA-N 1 1 238.291 1.560 20 5 BDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603086701 371866817 /nfs/dbraw/zinc/86/68/17/371866817.db2.gz ICGJPWZTIPIUEF-AAEUAGOBSA-N 1 1 248.282 1.204 20 5 BDBDMO CC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000602803272 371842863 /nfs/dbraw/zinc/84/28/63/371842863.db2.gz BHQQQWOGJKSGLI-VIFPVBQESA-N 1 1 222.244 1.834 20 5 BDBDMO C[C@H](C[NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000310496907 384180278 /nfs/dbraw/zinc/18/02/78/384180278.db2.gz ILCKLVWAURJUPZ-ZJUUUORDSA-N 1 1 237.303 1.840 20 5 BDBDMO Cn1nncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000135856874 384401041 /nfs/dbraw/zinc/40/10/41/384401041.db2.gz SURLROLXWBFAAV-UHFFFAOYSA-N 1 1 247.258 1.013 20 5 BDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000176212388 384466752 /nfs/dbraw/zinc/46/67/52/384466752.db2.gz MRXRIJIJOBBFNI-UHFFFAOYSA-N 1 1 224.264 1.133 20 5 BDBDMO C[C@@H](CO)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135504319 385032337 /nfs/dbraw/zinc/03/23/37/385032337.db2.gz GHRIFHTYMWZIIM-JTQLQIEISA-N 1 1 238.287 1.450 20 5 BDBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000516311500 385089751 /nfs/dbraw/zinc/08/97/51/385089751.db2.gz ZHQMHZKBDQNIDL-UHFFFAOYSA-N 1 1 240.307 1.912 20 5 BDBDMO Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000179950282 385247592 /nfs/dbraw/zinc/24/75/92/385247592.db2.gz SZIDRJLCDDEDRD-LLVKDONJSA-N 1 1 236.271 1.470 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@H]1CCOC1)CC2 ZINC000408064775 385535612 /nfs/dbraw/zinc/53/56/12/385535612.db2.gz WKHCWBGLXIQENT-ZDUSSCGKSA-N 1 1 248.282 1.742 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@H]1CCOC1)CC2 ZINC000408064775 385535615 /nfs/dbraw/zinc/53/56/15/385535615.db2.gz WKHCWBGLXIQENT-ZDUSSCGKSA-N 1 1 248.282 1.742 20 5 BDBDMO C[NH+](C)C1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000397966683 385731783 /nfs/dbraw/zinc/73/17/83/385731783.db2.gz KQJSKKJEWNUIDT-UHFFFAOYSA-N 1 1 249.314 1.779 20 5 BDBDMO C[NH2+]CCCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414864544 385763348 /nfs/dbraw/zinc/76/33/48/385763348.db2.gz ZKVMRRRCXQMYBD-DAXSKMNVSA-N 1 1 249.314 1.807 20 5 BDBDMO C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000284809232 385886982 /nfs/dbraw/zinc/88/69/82/385886982.db2.gz PDCMQLMYUGTFMP-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000284809232 385886983 /nfs/dbraw/zinc/88/69/83/385886983.db2.gz PDCMQLMYUGTFMP-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000051886751 386566918 /nfs/dbraw/zinc/56/69/18/386566918.db2.gz QVLIVSXSRFNBPM-LLVKDONJSA-N 1 1 236.271 1.409 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000051886644 386567059 /nfs/dbraw/zinc/56/70/59/386567059.db2.gz ZBCHIJPIUPJUAH-SNVBAGLBSA-N 1 1 236.271 1.409 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C[NH3+])C1 ZINC000347082505 387325669 /nfs/dbraw/zinc/32/56/69/387325669.db2.gz ZHZFQROKKSDAMW-NSHDSACASA-N 1 1 249.314 1.684 20 5 BDBDMO Cc1ccc(CNC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414871617 387581727 /nfs/dbraw/zinc/58/17/27/387581727.db2.gz DPMVAWIPVPCILM-SECBINFHSA-N 1 1 237.303 1.588 20 5 BDBDMO [NH3+][C@@H]1CCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422781981 388686477 /nfs/dbraw/zinc/68/64/77/388686477.db2.gz FSWMYQLAQJYTFK-VXGBXAGGSA-N 1 1 249.314 1.607 20 5 BDBDMO N[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422781981 388686479 /nfs/dbraw/zinc/68/64/79/388686479.db2.gz FSWMYQLAQJYTFK-VXGBXAGGSA-N 1 1 249.314 1.607 20 5 BDBDMO CC[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000298757414 388651222 /nfs/dbraw/zinc/65/12/22/388651222.db2.gz PRINEGPEVNLCCT-UHFFFAOYSA-N 1 1 230.289 1.471 20 5 BDBDMO CC[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000298757414 388651224 /nfs/dbraw/zinc/65/12/24/388651224.db2.gz PRINEGPEVNLCCT-UHFFFAOYSA-N 1 1 230.289 1.471 20 5 BDBDMO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422781978 388687246 /nfs/dbraw/zinc/68/72/46/388687246.db2.gz FSWMYQLAQJYTFK-NEPJUHHUSA-N 1 1 249.314 1.607 20 5 BDBDMO N[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422781978 388687250 /nfs/dbraw/zinc/68/72/50/388687250.db2.gz FSWMYQLAQJYTFK-NEPJUHHUSA-N 1 1 249.314 1.607 20 5 BDBDMO C[N@H+](CCCO)Cc1csc([N+](=O)[O-])c1 ZINC000281503488 388804448 /nfs/dbraw/zinc/80/44/48/388804448.db2.gz AYCKNEZPOGOICE-UHFFFAOYSA-N 1 1 230.289 1.471 20 5 BDBDMO C[N@@H+](CCCO)Cc1csc([N+](=O)[O-])c1 ZINC000281503488 388804452 /nfs/dbraw/zinc/80/44/52/388804452.db2.gz AYCKNEZPOGOICE-UHFFFAOYSA-N 1 1 230.289 1.471 20 5 BDBDMO COCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153139650 388941568 /nfs/dbraw/zinc/94/15/68/388941568.db2.gz KSBHGFOTEIGDOL-UHFFFAOYSA-N 1 1 236.271 1.599 20 5 BDBDMO COCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153139650 388941571 /nfs/dbraw/zinc/94/15/71/388941571.db2.gz KSBHGFOTEIGDOL-UHFFFAOYSA-N 1 1 236.271 1.599 20 5 BDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000176269310 172795931 /nfs/dbraw/zinc/79/59/31/172795931.db2.gz SRYJWQOIUWHGJG-UHFFFAOYSA-N 1 1 224.264 1.276 20 5 BDBDMO C[N@H+]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000037647793 173117374 /nfs/dbraw/zinc/11/73/74/173117374.db2.gz DWRNOXAGLQOZBR-JTQLQIEISA-N 1 1 235.287 1.958 20 5 BDBDMO COCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000054353790 174280083 /nfs/dbraw/zinc/28/00/83/174280083.db2.gz BMYVKRBOLCVWDA-UHFFFAOYSA-N 1 1 224.260 1.673 20 5 BDBDMO COc1ccc(C[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000048347154 175095565 /nfs/dbraw/zinc/09/55/65/175095565.db2.gz QPIFHNAFIQMDDX-UHFFFAOYSA-N 1 1 240.259 1.028 20 5 BDBDMO C[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282448222 176971182 /nfs/dbraw/zinc/97/11/82/176971182.db2.gz LQKFOZROQIELOZ-JTQLQIEISA-N 1 1 238.287 1.450 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351956985 177266165 /nfs/dbraw/zinc/26/61/65/177266165.db2.gz DTQOASSSMZZCST-JOYOIKCWSA-N 1 1 236.271 1.407 20 5 BDBDMO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000131605653 177361450 /nfs/dbraw/zinc/36/14/50/177361450.db2.gz IFYQSJSEEQPVPG-CMPLNLGQSA-N 1 1 249.314 1.764 20 5 BDBDMO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352210723 535790083 /nfs/dbraw/zinc/79/00/83/535790083.db2.gz HUIJUKRCLDVFDG-SNVBAGLBSA-N 1 1 238.287 1.798 20 5 BDBDMO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352210722 535790172 /nfs/dbraw/zinc/79/01/72/535790172.db2.gz HUIJUKRCLDVFDG-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO COCCCC[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000841691400 583198994 /nfs/dbraw/zinc/19/89/94/583198994.db2.gz LOXRAXOIZXZZSM-UHFFFAOYSA-N 1 1 242.279 1.107 20 5 BDBDMO COCCCC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000841691400 583198998 /nfs/dbraw/zinc/19/89/98/583198998.db2.gz LOXRAXOIZXZZSM-UHFFFAOYSA-N 1 1 242.279 1.107 20 5 BDBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000893940781 583254643 /nfs/dbraw/zinc/25/46/43/583254643.db2.gz QBFYRGOZOXSOBW-MFKMUULPSA-N 1 1 247.298 1.735 20 5 BDBDMO C[C@H](c1ccccc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791052802 583384538 /nfs/dbraw/zinc/38/45/38/583384538.db2.gz DJEIXLUXTDIXAR-SNVBAGLBSA-N 1 1 208.261 1.956 20 5 BDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ncccc1[N+](=O)[O-] ZINC000894878119 583542485 /nfs/dbraw/zinc/54/24/85/583542485.db2.gz FFQOPALPHGLYSP-AOOOYVTPSA-N 1 1 248.286 1.273 20 5 BDBDMO O=[N+]([O-])CCN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000899859310 584242899 /nfs/dbraw/zinc/24/28/99/584242899.db2.gz JDCVBYBEDYSJBH-CYBMUJFWSA-N 1 1 249.314 1.127 20 5 BDBDMO O=[N+]([O-])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000899859310 584242900 /nfs/dbraw/zinc/24/29/00/584242900.db2.gz JDCVBYBEDYSJBH-CYBMUJFWSA-N 1 1 249.314 1.127 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000899888040 584247264 /nfs/dbraw/zinc/24/72/64/584247264.db2.gz XYEJUVSQXCEDGP-GHMZBOCLSA-N 1 1 210.277 1.384 20 5 BDBDMO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779864914 585769142 /nfs/dbraw/zinc/76/91/42/585769142.db2.gz JJGBPAIQTHVNNI-BDAKNGLRSA-N 1 1 238.291 1.788 20 5 BDBDMO Cc1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000779864914 585769143 /nfs/dbraw/zinc/76/91/43/585769143.db2.gz JJGBPAIQTHVNNI-BDAKNGLRSA-N 1 1 238.291 1.788 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000787708043 585914205 /nfs/dbraw/zinc/91/42/05/585914205.db2.gz ILYCFLWHNSUCJH-UHFFFAOYSA-N 1 1 220.272 1.362 20 5 BDBDMO C[NH+](C)CCCC1CCN(CC[N+](=O)[O-])CC1 ZINC000787727881 585914783 /nfs/dbraw/zinc/91/47/83/585914783.db2.gz DNZPREBJXORQMS-UHFFFAOYSA-N 1 1 243.351 1.317 20 5 BDBDMO C[N@H+]1CCN(CC[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000791055165 585973166 /nfs/dbraw/zinc/97/31/66/585973166.db2.gz PZWWNTXELZQDIW-ZDUSSCGKSA-N 1 1 249.314 1.252 20 5 BDBDMO C[N@H+](CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000791053749 585973417 /nfs/dbraw/zinc/97/34/17/585973417.db2.gz ORJDLDZCZNBYPE-UHFFFAOYSA-N 1 1 212.224 1.534 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000791053749 585973418 /nfs/dbraw/zinc/97/34/18/585973418.db2.gz ORJDLDZCZNBYPE-UHFFFAOYSA-N 1 1 212.224 1.534 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](CF)C2)n1 ZINC000880295871 590991145 /nfs/dbraw/zinc/99/11/45/590991145.db2.gz ZLQXQOXJUZMNIX-SECBINFHSA-N 1 1 242.254 1.083 20 5 BDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000886020839 592133589 /nfs/dbraw/zinc/13/35/89/592133589.db2.gz JCNORRMAEZNLJN-UHFFFAOYSA-N 1 1 221.260 1.974 20 5 BDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000886020839 592133593 /nfs/dbraw/zinc/13/35/93/592133593.db2.gz JCNORRMAEZNLJN-UHFFFAOYSA-N 1 1 221.260 1.974 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2CO)cc1 ZINC000934023787 631623150 /nfs/dbraw/zinc/62/31/50/631623150.db2.gz LQIUWKIEWPBWEE-LLVKDONJSA-N 1 1 222.244 1.161 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934023787 631623151 /nfs/dbraw/zinc/62/31/51/631623151.db2.gz LQIUWKIEWPBWEE-LLVKDONJSA-N 1 1 222.244 1.161 20 5 BDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(F)c1F ZINC000309406685 633023208 /nfs/dbraw/zinc/02/32/08/633023208.db2.gz IAUFWRLQIAJSJJ-SSDOTTSWSA-N 1 1 230.214 1.892 20 5 BDBDMO COc1ccc(C[NH2+]CC[N+](=O)[O-])c(OC)c1 ZINC000905037801 637555976 /nfs/dbraw/zinc/55/59/76/637555976.db2.gz MKAKPWSVRYBISF-UHFFFAOYSA-N 1 1 240.259 1.070 20 5 BDBDMO CC(C)C[N@H+]1CCC[C@H](CNCC[N+](=O)[O-])C1 ZINC000905184784 637665967 /nfs/dbraw/zinc/66/59/67/637665967.db2.gz XQCREVBVGYVUMO-GFCCVEGCSA-N 1 1 243.351 1.221 20 5 BDBDMO CCCCn1cc(C[NH2+]CC[N+](=O)[O-])c(C)n1 ZINC000905194250 637671047 /nfs/dbraw/zinc/67/10/47/637671047.db2.gz ICWFAAPNGKXDJO-UHFFFAOYSA-N 1 1 240.307 1.358 20 5 BDBDMO COc1cc(F)cc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905196629 637674696 /nfs/dbraw/zinc/67/46/96/637674696.db2.gz RFWWXNVJANOXEK-UHFFFAOYSA-N 1 1 228.223 1.201 20 5 BDBDMO CCSc1cc(C[NH2+]CC[N+](=O)[O-])ccn1 ZINC000905218738 637699659 /nfs/dbraw/zinc/69/96/59/637699659.db2.gz OOSNNPUCVJPPSA-UHFFFAOYSA-N 1 1 241.316 1.560 20 5 BDBDMO Cc1noc(C)c1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930221555 639639596 /nfs/dbraw/zinc/63/95/96/639639596.db2.gz JETUQABBZSBGIT-LURJTMIESA-N 1 1 213.237 1.219 20 5 BDBDMO C[N@H+]1CC[C@@H](NCC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000930356919 639726850 /nfs/dbraw/zinc/72/68/50/639726850.db2.gz LJBNILKZKVULEA-CHWSQXEVSA-N 1 1 249.314 1.298 20 5 BDBDMO CN1CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000930356919 639726857 /nfs/dbraw/zinc/72/68/57/639726857.db2.gz LJBNILKZKVULEA-CHWSQXEVSA-N 1 1 249.314 1.298 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000930568984 639811924 /nfs/dbraw/zinc/81/19/24/639811924.db2.gz JOZWPFOWOLIDDF-LLVKDONJSA-N 1 1 235.287 1.538 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000930568984 639811925 /nfs/dbraw/zinc/81/19/25/639811925.db2.gz JOZWPFOWOLIDDF-LLVKDONJSA-N 1 1 235.287 1.538 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000930640655 639836789 /nfs/dbraw/zinc/83/67/89/639836789.db2.gz AYBGAHOIPHEKHK-SECBINFHSA-N 1 1 216.306 1.091 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCSC[C@H]1C1CC1 ZINC000930640656 639837264 /nfs/dbraw/zinc/83/72/64/639837264.db2.gz AYBGAHOIPHEKHK-VIFPVBQESA-N 1 1 216.306 1.091 20 5 BDBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CC[N+](=O)[O-])C12CCC2 ZINC000930652825 639841421 /nfs/dbraw/zinc/84/14/21/639841421.db2.gz PJSNLSCBXYEDJE-NXEZZACHSA-N 1 1 228.292 1.153 20 5 BDBDMO COC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000930675245 639858014 /nfs/dbraw/zinc/85/80/14/639858014.db2.gz GULRWFCGPOCADY-JTQLQIEISA-N 1 1 216.281 1.012 20 5 BDBDMO CC(C)C[N@H+](CC[N+](=O)[O-])Cc1cnn(C)c1 ZINC000930685295 639860133 /nfs/dbraw/zinc/86/01/33/639860133.db2.gz DZUUDRBWPBMNTC-UHFFFAOYSA-N 1 1 240.307 1.155 20 5 BDBDMO CC(C)C[N@@H+](CC[N+](=O)[O-])Cc1cnn(C)c1 ZINC000930685295 639860136 /nfs/dbraw/zinc/86/01/36/639860136.db2.gz DZUUDRBWPBMNTC-UHFFFAOYSA-N 1 1 240.307 1.155 20 5 BDBDMO O=[N+]([O-])CC[N@@H+](CCC1CC1)CC1CC1 ZINC000931068436 640055786 /nfs/dbraw/zinc/05/57/86/640055786.db2.gz BLYVLWLQIPBVQN-UHFFFAOYSA-N 1 1 212.293 1.775 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000931061391 640048708 /nfs/dbraw/zinc/04/87/08/640048708.db2.gz GCCYESUJKNCICT-GFCCVEGCSA-N 1 1 236.271 1.416 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000931061391 640048712 /nfs/dbraw/zinc/04/87/12/640048712.db2.gz GCCYESUJKNCICT-GFCCVEGCSA-N 1 1 236.271 1.416 20 5 BDBDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000932127936 640433942 /nfs/dbraw/zinc/43/39/42/640433942.db2.gz SBMIBTFLYYGHIO-NXEZZACHSA-N 1 1 200.282 1.631 20 5 BDBDMO Cc1noc(C[NH2+][C@H]2COC[C@H]2C)c1[N+](=O)[O-] ZINC000932488606 640554832 /nfs/dbraw/zinc/55/48/32/640554832.db2.gz MLEQRHDYVKXJFC-SVRRBLITSA-N 1 1 241.247 1.016 20 5 BDBDMO CC(C)[C@@H](C)[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000915208445 641810370 /nfs/dbraw/zinc/81/03/70/641810370.db2.gz MGOHXOACQJMURA-SECBINFHSA-N 1 1 226.280 1.725 20 5 BDBDMO C[N@@H+]1CC=C(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000361042819 642463968 /nfs/dbraw/zinc/46/39/68/642463968.db2.gz MLVLFZFQKXJYCO-UHFFFAOYSA-N 1 1 248.286 1.086 20 5 BDBDMO C[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000194622860 644333905 /nfs/dbraw/zinc/33/39/05/644333905.db2.gz HPFINMOVXSKEQC-JTQLQIEISA-N 1 1 238.291 1.871 20 5 BDBDMO C[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000194622860 644333908 /nfs/dbraw/zinc/33/39/08/644333908.db2.gz HPFINMOVXSKEQC-JTQLQIEISA-N 1 1 238.291 1.871 20 5 BDBDMO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000245798693 644543853 /nfs/dbraw/zinc/54/38/53/644543853.db2.gz YTIUTELEOSPHTF-NXEZZACHSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000245798693 644543859 /nfs/dbraw/zinc/54/38/59/644543859.db2.gz YTIUTELEOSPHTF-NXEZZACHSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@H]1CCC[C@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC000929274026 646052509 /nfs/dbraw/zinc/05/25/09/646052509.db2.gz PQDOWASVIDJYDK-UWVGGRQHSA-N 1 1 200.282 1.774 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000929646336 646219636 /nfs/dbraw/zinc/21/96/36/646219636.db2.gz OAGIMLJFNZAWAN-ZDUSSCGKSA-N 1 1 234.299 1.752 20 5 BDBDMO CC(C)CO[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929834543 646349038 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CC[N@@H+](CCN(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007630 969335966 /nfs/dbraw/zinc/33/59/66/969335966.db2.gz OSWARUQSORGIEJ-VXGBXAGGSA-N 1 1 243.351 1.315 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC3(CC3)C2)C1 ZINC001169011890 969338444 /nfs/dbraw/zinc/33/84/44/969338444.db2.gz NFOAJOPRVCXBRJ-WDEREUQCSA-N 1 1 224.304 1.918 20 5 BDBDMO C[C@H]1C[C@@H](CO)[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169012452 969339907 /nfs/dbraw/zinc/33/99/07/969339907.db2.gz QFCCMQFVJMXAPN-YFKTTZPYSA-N 1 1 242.319 1.135 20 5 BDBDMO CC[N@@H+](C1COC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033009 969352243 /nfs/dbraw/zinc/35/22/43/969352243.db2.gz AYHLWWIFZZNKKA-UWVGGRQHSA-N 1 1 228.292 1.153 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC23COC3)C1 ZINC001169034545 969353503 /nfs/dbraw/zinc/35/35/03/969353503.db2.gz HOPHASQEZLGERC-GHMZBOCLSA-N 1 1 240.303 1.297 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042458 969359915 /nfs/dbraw/zinc/35/99/15/969359915.db2.gz DOSKTSLADQMSIV-USZNOCQGSA-N 1 1 242.319 1.541 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC3(CC3)C2)C1 ZINC001169047630 969365823 /nfs/dbraw/zinc/36/58/23/969365823.db2.gz RVMDWPRTDRZLQW-GHMZBOCLSA-N 1 1 240.303 1.297 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCn3cccc3C2)C1 ZINC001169024345 969366709 /nfs/dbraw/zinc/36/67/09/969366709.db2.gz GMXMGZHUYHMCJO-NEPJUHHUSA-N 1 1 249.314 1.749 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H]2CO3)C1 ZINC001169053893 969370751 /nfs/dbraw/zinc/37/07/51/969370751.db2.gz JZCNXSPKJXRHOK-WRWGMCAJSA-N 1 1 240.303 1.295 20 5 BDBDMO C[N@@H+]([C@H]1CCOC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169057479 969372054 /nfs/dbraw/zinc/37/20/54/969372054.db2.gz VVYCKIJGPQZIQC-VWYCJHECSA-N 1 1 228.292 1.153 20 5 BDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CN)CC1 ZINC001254548360 969738539 /nfs/dbraw/zinc/73/85/39/969738539.db2.gz HUDWJWLTSDKCAD-JTQLQIEISA-N 1 1 249.314 1.607 20 5 BDBDMO C[N@H+]1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401208476 970665452 /nfs/dbraw/zinc/66/54/52/970665452.db2.gz MZCORUMPDATOPZ-QMMMGPOBSA-N 1 1 240.238 1.245 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628589 974604360 /nfs/dbraw/zinc/60/43/60/974604360.db2.gz PQSHEIRZMIYIOY-MRVPVSSYSA-N 1 1 223.232 1.073 20 5 BDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1[NH3+] ZINC001173234514 975078208 /nfs/dbraw/zinc/07/82/08/975078208.db2.gz PDCFYNLEJJMHAX-XXILOJSOSA-N 1 1 235.287 1.215 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987107 975835448 /nfs/dbraw/zinc/83/54/48/975835448.db2.gz FAKWFCDFTPQOIR-VIFPVBQESA-N 1 1 223.232 1.073 20 5 BDBDMO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1Cl ZINC001228483013 976249508 /nfs/dbraw/zinc/24/95/08/976249508.db2.gz QHJUVSUIAZDIEN-SSDOTTSWSA-O 1 1 246.718 1.309 20 5 BDBDMO C[C@H](C[N+](C)(C)C)Oc1ccc2[nH]nnc2c1 ZINC001228662051 976417025 /nfs/dbraw/zinc/41/70/25/976417025.db2.gz BMYPEQPKVPNPCN-SECBINFHSA-N 1 1 235.311 1.431 20 5 BDBDMO CC[N@H+]1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880023 976549406 /nfs/dbraw/zinc/54/94/06/976549406.db2.gz PEWPLCCKVJXZSL-VIFPVBQESA-N 1 1 237.259 1.463 20 5 BDBDMO Cc1cc(OCc2cn(C)nc2[N+](=O)[O-])cc[nH+]1 ZINC001336936641 978070669 /nfs/dbraw/zinc/07/06/69/978070669.db2.gz TWFGHESLUUHRDJ-UHFFFAOYSA-N 1 1 248.242 1.611 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC001351312337 982275437 /nfs/dbraw/zinc/27/54/37/982275437.db2.gz KUFCVMHZTRCTNO-ZDUSSCGKSA-N 1 1 248.282 1.395 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC001351312337 982275448 /nfs/dbraw/zinc/27/54/48/982275448.db2.gz KUFCVMHZTRCTNO-ZDUSSCGKSA-N 1 1 248.282 1.395 20 5 BDBDMO [NH3+][C@H]1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001580430480 986846920 /nfs/dbraw/zinc/84/69/20/986846920.db2.gz NNAZWBVDPUQZOQ-XYPYZODXSA-N 1 1 235.287 1.217 20 5 BDBDMO C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H](C)[NH2+]1 ZINC001246969695 988800883 /nfs/dbraw/zinc/80/08/83/988800883.db2.gz SKGXAQVBZLOTLN-DDHJBXDOSA-N 1 1 241.335 1.114 20 5 BDBDMO CN1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000037248567 361777194 /nfs/dbraw/zinc/77/71/94/361777194.db2.gz MPXAMHDQFMAQKO-UHFFFAOYSA-N 1 1 249.314 1.779 20 5 BDBDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439114 349525174 /nfs/dbraw/zinc/52/51/74/349525174.db2.gz MPYQXDKSAVRTHX-SECBINFHSA-N 1 1 240.307 1.805 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601977618 342808223 /nfs/dbraw/zinc/80/82/23/342808223.db2.gz VLYCWFZYUGHGTE-TXEJJXNPSA-N 1 1 248.282 1.673 20 5 BDBDMO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351812830 136254757 /nfs/dbraw/zinc/25/47/57/136254757.db2.gz QTUQOSCNEZUIJN-APPZFPTMSA-N 1 1 242.300 1.469 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351812830 136254758 /nfs/dbraw/zinc/25/47/58/136254758.db2.gz QTUQOSCNEZUIJN-APPZFPTMSA-N 1 1 242.300 1.469 20 5 BDBDMO Cc1cccc(NCCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000158082681 179146391 /nfs/dbraw/zinc/14/63/91/179146391.db2.gz YKKADZGBUQDZGM-UHFFFAOYSA-N 1 1 247.258 1.607 20 5 BDBDMO C[C@@H](C[NH3+])N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725154 347936738 /nfs/dbraw/zinc/93/67/38/347936738.db2.gz FQKXLEVACJBCDS-QMMMGPOBSA-N 1 1 239.275 1.079 20 5 BDBDMO COCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293272 348215031 /nfs/dbraw/zinc/21/50/31/348215031.db2.gz JABDWTOWTNQDKO-UHFFFAOYSA-N 1 1 242.250 1.812 20 5 BDBDMO COCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293272 348215034 /nfs/dbraw/zinc/21/50/34/348215034.db2.gz JABDWTOWTNQDKO-UHFFFAOYSA-N 1 1 242.250 1.812 20 5 BDBDMO Cc1noc(C[N@@H+](C)C2CCC2)c1[N+](=O)[O-] ZINC000595327649 348227568 /nfs/dbraw/zinc/22/75/68/348227568.db2.gz QRARWQYYMBBMDL-UHFFFAOYSA-N 1 1 225.248 1.876 20 5 BDBDMO Cc1noc(C[N@H+](C)C2CCC2)c1[N+](=O)[O-] ZINC000595327649 348227569 /nfs/dbraw/zinc/22/75/69/348227569.db2.gz QRARWQYYMBBMDL-UHFFFAOYSA-N 1 1 225.248 1.876 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595770456 348335717 /nfs/dbraw/zinc/33/57/17/348335717.db2.gz VVESHNSJSBBDED-WCQYABFASA-N 1 1 248.282 1.552 20 5 BDBDMO O=[N+]([O-])c1cccc(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000129227977 351008874 /nfs/dbraw/zinc/00/88/74/351008874.db2.gz OEFUYJMXXLVUGZ-LBPRGKRZSA-N 1 1 249.314 1.827 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)C1 ZINC000072634578 351328283 /nfs/dbraw/zinc/32/82/83/351328283.db2.gz OHIDJZQBIRLFKQ-NXEZZACHSA-N 1 1 236.271 1.722 20 5 BDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000044725698 358553127 /nfs/dbraw/zinc/55/31/27/358553127.db2.gz XGNZUXYPUDEJKG-MRVPVSSYSA-N 1 1 249.274 1.033 20 5 BDBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CC1 ZINC000331998599 371322748 /nfs/dbraw/zinc/32/27/48/371322748.db2.gz ZPVZTVWEDVEUSD-UHFFFAOYSA-N 1 1 238.291 1.560 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000020941368 371354454 /nfs/dbraw/zinc/35/44/54/371354454.db2.gz NXAWHKBWNHZAIB-NSHDSACASA-N 1 1 236.271 1.552 20 5 BDBDMO O=[N+]([O-])c1cnn(CCn2cc[nH+]c2C2CC2)c1 ZINC000600611618 371688594 /nfs/dbraw/zinc/68/85/94/371688594.db2.gz SBYFXVRMUDSQNE-UHFFFAOYSA-N 1 1 247.258 1.565 20 5 BDBDMO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602439071 371803045 /nfs/dbraw/zinc/80/30/45/371803045.db2.gz LONZGWWREIJHGW-UHFFFAOYSA-N 1 1 238.291 1.703 20 5 BDBDMO Cn1cc(C[NH+]2CCCCC2)c([N+](=O)[O-])n1 ZINC000602491621 371815259 /nfs/dbraw/zinc/81/52/59/371815259.db2.gz BSNSCCIKGVVDHN-UHFFFAOYSA-N 1 1 224.264 1.314 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086718 371865717 /nfs/dbraw/zinc/86/57/17/371865717.db2.gz IJCMZKSAPYYMDX-JQWIXIFHSA-N 1 1 234.255 1.161 20 5 BDBDMO CC[C@H](C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788308 371840831 /nfs/dbraw/zinc/84/08/31/371840831.db2.gz PTJHCMNPVCWXLG-VIFPVBQESA-N 1 1 240.307 1.830 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C[C@@H]1C ZINC000602819597 371842908 /nfs/dbraw/zinc/84/29/08/371842908.db2.gz CVHCKFZXLCUUMX-DTORHVGOSA-N 1 1 238.291 1.582 20 5 BDBDMO C[C@H](C[C@H](C)[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000422951126 384489193 /nfs/dbraw/zinc/48/91/93/384489193.db2.gz XQSMGDUBONRKBA-VHSXEESVSA-N 1 1 237.303 1.810 20 5 BDBDMO CC[N@@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000049937517 384579726 /nfs/dbraw/zinc/57/97/26/384579726.db2.gz RMKSGDMACAWGTP-UHFFFAOYSA-N 1 1 224.264 1.353 20 5 BDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106883050 384935698 /nfs/dbraw/zinc/93/56/98/384935698.db2.gz DGMWKVYIAOSUPM-LBPRGKRZSA-N 1 1 236.271 1.816 20 5 BDBDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000291281002 385852464 /nfs/dbraw/zinc/85/24/64/385852464.db2.gz QJVVSQQEGOJOJA-UWVGGRQHSA-N 1 1 238.287 1.968 20 5 BDBDMO [NH3+]CC(F)(F)CNCc1ccc([N+](=O)[O-])cc1 ZINC000414907818 387600875 /nfs/dbraw/zinc/60/08/75/387600875.db2.gz DOGKWXPMUUYAKY-UHFFFAOYSA-N 1 1 245.229 1.278 20 5 BDBDMO C[C@@H](C[NH3+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423405335 388692281 /nfs/dbraw/zinc/69/22/81/388692281.db2.gz TUGSCZPNQREJFG-UWVGGRQHSA-N 1 1 237.303 1.463 20 5 BDBDMO C[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332718082 388798357 /nfs/dbraw/zinc/79/83/57/388798357.db2.gz NBABRUOJEUQDEP-VIFPVBQESA-N 1 1 236.271 1.334 20 5 BDBDMO C[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332718082 388798360 /nfs/dbraw/zinc/79/83/60/388798360.db2.gz NBABRUOJEUQDEP-VIFPVBQESA-N 1 1 236.271 1.334 20 5 BDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)nc1 ZINC000049390415 132355862 /nfs/dbraw/zinc/35/58/62/132355862.db2.gz OGJSSFRQEPZNOV-UHFFFAOYSA-N 1 1 248.286 1.274 20 5 BDBDMO C[C@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000168602744 134231205 /nfs/dbraw/zinc/23/12/05/134231205.db2.gz DRJOPYDOZDSAOL-SNVBAGLBSA-N 1 1 237.303 1.635 20 5 BDBDMO C[N@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195505312 173018791 /nfs/dbraw/zinc/01/87/91/173018791.db2.gz HCLSFOAXYRHRJS-UHFFFAOYSA-N 1 1 242.304 1.193 20 5 BDBDMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000005689601 173019097 /nfs/dbraw/zinc/01/90/97/173019097.db2.gz YUUQXHINSCNVDK-UHFFFAOYSA-N 1 1 236.275 1.132 20 5 BDBDMO C[N@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000024106651 173019272 /nfs/dbraw/zinc/01/92/72/173019272.db2.gz QHTMRJZDSOFAEE-UHFFFAOYSA-N 1 1 236.275 1.132 20 5 BDBDMO C[N@@H+]1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000221152459 173034141 /nfs/dbraw/zinc/03/41/41/173034141.db2.gz HEOBRAONRLGWHJ-CYBMUJFWSA-N 1 1 249.314 1.779 20 5 BDBDMO C[N@H+]1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000221152459 173034144 /nfs/dbraw/zinc/03/41/44/173034144.db2.gz HEOBRAONRLGWHJ-CYBMUJFWSA-N 1 1 249.314 1.779 20 5 BDBDMO C[N@H+]1CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000049100029 173055279 /nfs/dbraw/zinc/05/52/79/173055279.db2.gz GRJBMPZVWWMFOG-VIFPVBQESA-N 1 1 236.275 1.496 20 5 BDBDMO C[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000004716699 173094263 /nfs/dbraw/zinc/09/42/63/173094263.db2.gz PTZCLWBEUMKMQQ-UHFFFAOYSA-N 1 1 227.289 1.408 20 5 BDBDMO C[N@H+]1CC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000037647724 173146412 /nfs/dbraw/zinc/14/64/12/173146412.db2.gz ROGIRVSPWKTEPS-SECBINFHSA-N 1 1 236.275 1.353 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351956983 176308185 /nfs/dbraw/zinc/30/81/85/176308185.db2.gz DTQOASSSMZZCST-BXKDBHETSA-N 1 1 236.271 1.407 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCO ZINC000090740884 177042388 /nfs/dbraw/zinc/04/23/88/177042388.db2.gz OYUKJTXFUWAPBL-SECBINFHSA-N 1 1 224.260 1.580 20 5 BDBDMO CC[C@H](C)C[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000111165309 588725349 /nfs/dbraw/zinc/72/53/49/588725349.db2.gz HZCATYGQKCMEBW-VIFPVBQESA-N 1 1 226.280 1.727 20 5 BDBDMO CC[C@H](C)C[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000111165309 588725350 /nfs/dbraw/zinc/72/53/50/588725350.db2.gz HZCATYGQKCMEBW-VIFPVBQESA-N 1 1 226.280 1.727 20 5 BDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814042740 583338132 /nfs/dbraw/zinc/33/81/32/583338132.db2.gz MWUUORPJIQEJEP-NXEZZACHSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814042740 583338133 /nfs/dbraw/zinc/33/81/33/583338133.db2.gz MWUUORPJIQEJEP-NXEZZACHSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814042742 583339033 /nfs/dbraw/zinc/33/90/33/583339033.db2.gz MWUUORPJIQEJEP-VHSXEESVSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814042742 583339035 /nfs/dbraw/zinc/33/90/35/583339035.db2.gz MWUUORPJIQEJEP-VHSXEESVSA-N 1 1 244.291 1.069 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000791051630 583383755 /nfs/dbraw/zinc/38/37/55/583383755.db2.gz HESQFRWVWBVZSM-LBPRGKRZSA-N 1 1 220.272 1.753 20 5 BDBDMO O=[N+]([O-])c1cccnc1N[C@@H]1Cc2c[nH+]cn2C1 ZINC000894995031 583566114 /nfs/dbraw/zinc/56/61/14/583566114.db2.gz JIBKTYGBPJGXMP-MRVPVSSYSA-N 1 1 245.242 1.223 20 5 BDBDMO COc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000899861364 584242913 /nfs/dbraw/zinc/24/29/13/584242913.db2.gz YUOVHVFSEKNAMW-UHFFFAOYSA-N 1 1 210.233 1.062 20 5 BDBDMO C[C@@H]1C[C@H](C)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000740861869 585107488 /nfs/dbraw/zinc/10/74/88/585107488.db2.gz ZQMAUTUVTQBHRT-DTWKUNHWSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000740861869 585107489 /nfs/dbraw/zinc/10/74/89/585107489.db2.gz ZQMAUTUVTQBHRT-DTWKUNHWSA-N 1 1 224.264 1.479 20 5 BDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763330877 585446553 /nfs/dbraw/zinc/44/65/53/585446553.db2.gz FMJCOKAUNLBSCP-JTQLQIEISA-N 1 1 236.275 1.481 20 5 BDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763330877 585446554 /nfs/dbraw/zinc/44/65/54/585446554.db2.gz FMJCOKAUNLBSCP-JTQLQIEISA-N 1 1 236.275 1.481 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782605789 585821726 /nfs/dbraw/zinc/82/17/26/585821726.db2.gz QVIDQXURRKKOAB-YPMHNXCESA-N 1 1 248.282 1.409 20 5 BDBDMO CC(C)[C@H]1C[N@@H+](CC[N+](=O)[O-])CCS1 ZINC000791052047 585972867 /nfs/dbraw/zinc/97/28/67/585972867.db2.gz KJHVDCAEGWDPQM-SECBINFHSA-N 1 1 218.322 1.337 20 5 BDBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[N+](=O)[O-] ZINC000798198025 586140445 /nfs/dbraw/zinc/14/04/45/586140445.db2.gz XYECIZFGEBOKAT-ZJUUUORDSA-N 1 1 200.282 1.774 20 5 BDBDMO Cc1ccc(-c2noc([C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000843179180 588090272 /nfs/dbraw/zinc/09/02/72/588090272.db2.gz ZGHPIOMTWMKVIN-ZETCQYMHSA-N 1 1 248.242 1.973 20 5 BDBDMO C[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238797 588095729 /nfs/dbraw/zinc/09/57/29/588095729.db2.gz ZOWDNPSQSXLQQC-BYPYZUCNSA-N 1 1 224.176 1.258 20 5 BDBDMO Cn1cc(C[N@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])n1 ZINC000880301678 590998915 /nfs/dbraw/zinc/99/89/15/590998915.db2.gz WRCXCCRWEUWYMZ-QMMMGPOBSA-N 1 1 242.254 1.120 20 5 BDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC=C[C@H]2CO)cc1 ZINC000880486945 591064879 /nfs/dbraw/zinc/06/48/79/591064879.db2.gz RJQZWCBQUKHAAY-ZDUSSCGKSA-N 1 1 248.282 1.370 20 5 BDBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cn[nH]c1 ZINC000886131617 592159514 /nfs/dbraw/zinc/15/95/14/592159514.db2.gz CBIXZONGVPENMX-QMMMGPOBSA-N 1 1 247.258 1.564 20 5 BDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886344851 592213007 /nfs/dbraw/zinc/21/30/07/592213007.db2.gz MTUJMSVQVPQTIW-NTZNESFSSA-N 1 1 248.282 1.580 20 5 BDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886344849 592213023 /nfs/dbraw/zinc/21/30/23/592213023.db2.gz MTUJMSVQVPQTIW-LOWVWBTDSA-N 1 1 248.282 1.580 20 5 BDBDMO C[C@]1([NH2+]CC[N+](=O)[O-])CCOc2ccccc21 ZINC000933369599 631330768 /nfs/dbraw/zinc/33/07/68/631330768.db2.gz LEEIXPNTMDEBPU-LBPRGKRZSA-N 1 1 236.271 1.551 20 5 BDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178857016 635746486 /nfs/dbraw/zinc/74/64/86/635746486.db2.gz FUEAXNVRWZHIBU-LBPRGKRZSA-N 1 1 236.271 1.722 20 5 BDBDMO CC(C)[C@@H]1[N@@H+](CC[N+](=O)[O-])CC12CCC2 ZINC000899885920 637147556 /nfs/dbraw/zinc/14/75/56/637147556.db2.gz QHKPVZXKGKXACN-JTQLQIEISA-N 1 1 212.293 1.774 20 5 BDBDMO CC(C)[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@H]1C(C)C ZINC000899886998 637147719 /nfs/dbraw/zinc/14/77/19/637147719.db2.gz MPLHWEZBFRMOMK-QWRGUYRKSA-N 1 1 214.309 1.876 20 5 BDBDMO Cc1ccc2nc(CNCC[N+](=O)[O-])[nH]c2c1 ZINC000905147745 637657454 /nfs/dbraw/zinc/65/74/54/637657454.db2.gz RMXLZKFEWDVBAC-UHFFFAOYSA-N 1 1 234.259 1.238 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000930493413 639782297 /nfs/dbraw/zinc/78/22/97/639782297.db2.gz RSFFRPVMZKEDJS-UHFFFAOYSA-N 1 1 222.235 1.773 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCCc2occc2C1 ZINC000930506845 639789549 /nfs/dbraw/zinc/78/95/49/639789549.db2.gz YBLIGJQXHDJGKV-UHFFFAOYSA-N 1 1 210.233 1.305 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCc2occc2C1 ZINC000930506845 639789556 /nfs/dbraw/zinc/78/95/56/639789556.db2.gz YBLIGJQXHDJGKV-UHFFFAOYSA-N 1 1 210.233 1.305 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000930706736 639872508 /nfs/dbraw/zinc/87/25/08/639872508.db2.gz YFNRXCLOOXZWIH-NWDGAFQWSA-N 1 1 242.319 1.136 20 5 BDBDMO C[C@@H]1CC(F)(F)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931253826 640115051 /nfs/dbraw/zinc/11/50/51/640115051.db2.gz BYHGHWDRBFHOHX-SSDOTTSWSA-N 1 1 208.208 1.383 20 5 BDBDMO C[C@@H]1CC(F)(F)CC[N@H+]1CC[N+](=O)[O-] ZINC000931253826 640115056 /nfs/dbraw/zinc/11/50/56/640115056.db2.gz BYHGHWDRBFHOHX-SSDOTTSWSA-N 1 1 208.208 1.383 20 5 BDBDMO Cc1cncc([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])c1 ZINC000931566403 640276048 /nfs/dbraw/zinc/27/60/48/640276048.db2.gz DNKGSRHIOFQBMS-LBPRGKRZSA-N 1 1 235.287 1.804 20 5 BDBDMO Cc1cncc([C@@H]2CCC[N@H+]2CC[N+](=O)[O-])c1 ZINC000931566403 640276050 /nfs/dbraw/zinc/27/60/50/640276050.db2.gz DNKGSRHIOFQBMS-LBPRGKRZSA-N 1 1 235.287 1.804 20 5 BDBDMO C[C@@]1(C(F)(F)F)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931609761 640286076 /nfs/dbraw/zinc/28/60/76/640286076.db2.gz GTGYEJICXJVDKY-SSDOTTSWSA-N 1 1 226.198 1.537 20 5 BDBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931609761 640286089 /nfs/dbraw/zinc/28/60/89/640286089.db2.gz GTGYEJICXJVDKY-SSDOTTSWSA-N 1 1 226.198 1.537 20 5 BDBDMO CC[N@H+](CC[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000931700685 640325005 /nfs/dbraw/zinc/32/50/05/640325005.db2.gz JUUPZTQZZDHYDR-GFCCVEGCSA-N 1 1 238.287 1.319 20 5 BDBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000931700685 640325009 /nfs/dbraw/zinc/32/50/09/640325009.db2.gz JUUPZTQZZDHYDR-GFCCVEGCSA-N 1 1 238.287 1.319 20 5 BDBDMO CC[C@@H](C)C[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000171890523 641021655 /nfs/dbraw/zinc/02/16/55/641021655.db2.gz XOVIUXYHEBXVPA-SECBINFHSA-N 1 1 226.280 1.727 20 5 BDBDMO CC[C@@H](C)C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000171890523 641021658 /nfs/dbraw/zinc/02/16/58/641021658.db2.gz XOVIUXYHEBXVPA-SECBINFHSA-N 1 1 226.280 1.727 20 5 BDBDMO C[C@H]1CSCCC[N@H+]1CC[N+](=O)[O-] ZINC000934294290 641118570 /nfs/dbraw/zinc/11/85/70/641118570.db2.gz GQVJECFAEIJVTE-QMMMGPOBSA-N 1 1 204.295 1.091 20 5 BDBDMO CC1(C)[C@@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]21 ZINC000172942493 641136878 /nfs/dbraw/zinc/13/68/78/641136878.db2.gz JNYARKBWBSRCPC-DTORHVGOSA-N 1 1 236.275 1.337 20 5 BDBDMO CC1(C)[C@@H]2C[N@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]21 ZINC000172942493 641136881 /nfs/dbraw/zinc/13/68/81/641136881.db2.gz JNYARKBWBSRCPC-DTORHVGOSA-N 1 1 236.275 1.337 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934833506 641283540 /nfs/dbraw/zinc/28/35/40/641283540.db2.gz XKBOWQZHMFEGDE-NEPJUHHUSA-N 1 1 242.319 1.402 20 5 BDBDMO C[C@H](C[N@@H+](C)CC[N+](=O)[O-])c1ccccc1 ZINC000929490603 641333615 /nfs/dbraw/zinc/33/36/15/641333615.db2.gz NZEYRDWENGQGPR-LLVKDONJSA-N 1 1 222.288 1.999 20 5 BDBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000929706256 641409968 /nfs/dbraw/zinc/40/99/68/641409968.db2.gz ZYJGZNVVWUZCKO-VHSXEESVSA-N 1 1 200.282 1.774 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000930039777 642271218 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O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421007883 192297261 /nfs/dbraw/zinc/29/72/61/192297261.db2.gz AGWRUQTYBUYAKY-CYBMUJFWSA-N 1 1 248.282 1.960 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421007883 192297263 /nfs/dbraw/zinc/29/72/63/192297263.db2.gz AGWRUQTYBUYAKY-CYBMUJFWSA-N 1 1 248.282 1.960 20 5 BDBDMO Cc1nn(C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000450957871 202321526 /nfs/dbraw/zinc/32/15/26/202321526.db2.gz JYZCPLPNAUVUFL-SECBINFHSA-N 1 1 224.264 1.051 20 5 BDBDMO CC(C)CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174830298 374268260 /nfs/dbraw/zinc/26/82/60/374268260.db2.gz XVFSMGMCODTXPB-UHFFFAOYSA-N 1 1 240.307 1.769 20 5 BDBDMO CCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522110 169079282 /nfs/dbraw/zinc/07/92/82/169079282.db2.gz YCFIZIHIUJLCEV-UHFFFAOYSA-N 1 1 239.275 1.098 20 5 BDBDMO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000422951124 384488248 /nfs/dbraw/zinc/48/82/48/384488248.db2.gz XQSMGDUBONRKBA-NXEZZACHSA-N 1 1 237.303 1.810 20 5 BDBDMO CC[N@@H+](CCO)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000268025947 386772175 /nfs/dbraw/zinc/77/21/75/386772175.db2.gz SUNIMOKOBPQDDQ-SNVBAGLBSA-N 1 1 238.287 1.970 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C[NH3+])C1 ZINC000347082503 387325478 /nfs/dbraw/zinc/32/54/78/387325478.db2.gz ZHZFQROKKSDAMW-LLVKDONJSA-N 1 1 249.314 1.684 20 5 BDBDMO CC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000054127834 387347287 /nfs/dbraw/zinc/34/72/87/387347287.db2.gz KEASBLFBWBKARK-UHFFFAOYSA-N 1 1 238.291 1.662 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H](C)C[NH3+] ZINC000414871615 387581591 /nfs/dbraw/zinc/58/15/91/387581591.db2.gz DPMORTVWCTUTJF-SECBINFHSA-N 1 1 237.303 1.588 20 5 BDBDMO CC(C)[C@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331039909 388764271 /nfs/dbraw/zinc/76/42/71/388764271.db2.gz BUXQVACDHAEYOW-VIFPVBQESA-N 1 1 240.307 1.805 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCC1CC1 ZINC000331624737 388777699 /nfs/dbraw/zinc/77/76/99/388777699.db2.gz 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C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014220 176274221 /nfs/dbraw/zinc/27/42/21/176274221.db2.gz KFIQJDUNZNBFRE-MFKMUULPSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@@H]1C[N@H+](C)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994431 176276704 /nfs/dbraw/zinc/27/67/04/176276704.db2.gz MXAOSDZOTDJREW-ZYHUDNBSSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994431 176276705 /nfs/dbraw/zinc/27/67/05/176276705.db2.gz MXAOSDZOTDJREW-ZYHUDNBSSA-N 1 1 249.314 1.635 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351810990 176306691 /nfs/dbraw/zinc/30/66/91/176306691.db2.gz OLMPZJFMKMMXRX-SKDRFNHKSA-N 1 1 236.271 1.407 20 5 BDBDMO CC[N@@H+](C)CCNCc1csc([N+](=O)[O-])c1 ZINC000051634376 488022509 /nfs/dbraw/zinc/02/25/09/488022509.db2.gz OUBPTAMELKTQPY-UHFFFAOYSA-N 1 1 243.332 1.698 20 5 BDBDMO C[C@H](O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000051821904 488049453 /nfs/dbraw/zinc/04/94/53/488049453.db2.gz NQFGRJWEOIODJT-VIFPVBQESA-N 1 1 224.260 1.407 20 5 BDBDMO C[C@H](O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051822058 488049156 /nfs/dbraw/zinc/04/91/56/488049156.db2.gz AQROBZNMFWEHDM-JTQLQIEISA-N 1 1 238.287 1.450 20 5 BDBDMO Cc1cc(-c2noc([C@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843239772 582873353 /nfs/dbraw/zinc/87/33/53/582873353.db2.gz PWNGLAQBTWVTRC-ZETCQYMHSA-N 1 1 248.242 1.973 20 5 BDBDMO O=[N+]([O-])c1cnn(C[NH+]2CCC[C@H]2C2CC2)c1 ZINC000728559396 583897272 /nfs/dbraw/zinc/89/72/72/583897272.db2.gz GMPNGRCCJINUHJ-NSHDSACASA-N 1 1 236.275 1.623 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1Cl ZINC000899856868 584244019 /nfs/dbraw/zinc/24/40/19/584244019.db2.gz WWPROHXEOUDPHH-UHFFFAOYSA-N 1 1 214.652 1.706 20 5 BDBDMO C[C@@H](CNCC[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000899870319 584244430 /nfs/dbraw/zinc/24/44/30/584244430.db2.gz MHBYKBFRWHUNAY-MNOVXSKESA-N 1 1 229.324 1.116 20 5 BDBDMO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCCC[C@H]1C ZINC000899870319 584244434 /nfs/dbraw/zinc/24/44/34/584244434.db2.gz MHBYKBFRWHUNAY-MNOVXSKESA-N 1 1 229.324 1.116 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1cc2ccccc2o1 ZINC000899871353 584244795 /nfs/dbraw/zinc/24/47/95/584244795.db2.gz PWBOCFQASVWYTG-UHFFFAOYSA-N 1 1 220.228 1.799 20 5 BDBDMO CCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579905 585701102 /nfs/dbraw/zinc/70/11/02/585701102.db2.gz PLBIXTGVKIQIRW-LBPRGKRZSA-N 1 1 238.287 1.970 20 5 BDBDMO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779864915 585769057 /nfs/dbraw/zinc/76/90/57/585769057.db2.gz JJGBPAIQTHVNNI-DTWKUNHWSA-N 1 1 238.291 1.788 20 5 BDBDMO Cc1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000779864915 585769058 /nfs/dbraw/zinc/76/90/58/585769058.db2.gz JJGBPAIQTHVNNI-DTWKUNHWSA-N 1 1 238.291 1.788 20 5 BDBDMO CCC[N@H+](CC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859422 585769182 /nfs/dbraw/zinc/76/91/82/585769182.db2.gz KXVOBKKHTDMHAA-UHFFFAOYSA-N 1 1 226.280 1.789 20 5 BDBDMO CCC[N@@H+](CC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859422 585769183 /nfs/dbraw/zinc/76/91/83/585769183.db2.gz KXVOBKKHTDMHAA-UHFFFAOYSA-N 1 1 226.280 1.789 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782605788 585821705 /nfs/dbraw/zinc/82/17/05/585821705.db2.gz QVIDQXURRKKOAB-WCQYABFASA-N 1 1 248.282 1.409 20 5 BDBDMO CN1CC[N@H+](CC[N+](=O)[O-])Cc2ccccc21 ZINC000787719634 585914579 /nfs/dbraw/zinc/91/45/79/585914579.db2.gz UTNDLXUUCBLQHB-UHFFFAOYSA-N 1 1 235.287 1.215 20 5 BDBDMO CN1CC[N@@H+](CC[N+](=O)[O-])Cc2ccccc21 ZINC000787719634 585914580 /nfs/dbraw/zinc/91/45/80/585914580.db2.gz UTNDLXUUCBLQHB-UHFFFAOYSA-N 1 1 235.287 1.215 20 5 BDBDMO Cc1cccc(OCC[N@@H+](C)CC[N+](=O)[O-])c1 ZINC000791053051 585972924 /nfs/dbraw/zinc/97/29/24/585972924.db2.gz GXVCCTRBXKCJSP-UHFFFAOYSA-N 1 1 238.287 1.582 20 5 BDBDMO Cc1cccc(OCC[N@H+](C)CC[N+](=O)[O-])c1 ZINC000791053051 585972925 /nfs/dbraw/zinc/97/29/25/585972925.db2.gz GXVCCTRBXKCJSP-UHFFFAOYSA-N 1 1 238.287 1.582 20 5 BDBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813104202 586592470 /nfs/dbraw/zinc/59/24/70/586592470.db2.gz YABOUQXGMRJTIB-UWVGGRQHSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@H+]1CCCC[C@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813104202 586592471 /nfs/dbraw/zinc/59/24/71/586592471.db2.gz YABOUQXGMRJTIB-UWVGGRQHSA-N 1 1 244.291 1.069 20 5 BDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC2(CCC2)C1 ZINC000121888286 589538019 /nfs/dbraw/zinc/53/80/19/589538019.db2.gz JQHSHKNHMBKIIG-UHFFFAOYSA-N 1 1 236.275 1.625 20 5 BDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC2(CCC2)C1 ZINC000121888286 589538017 /nfs/dbraw/zinc/53/80/17/589538017.db2.gz JQHSHKNHMBKIIG-UHFFFAOYSA-N 1 1 236.275 1.625 20 5 BDBDMO Cn1cc(C[NH+]2CCC(F)CC2)c([N+](=O)[O-])n1 ZINC000880239130 590971694 /nfs/dbraw/zinc/97/16/94/590971694.db2.gz VXHJZYJGYZBSAZ-UHFFFAOYSA-N 1 1 242.254 1.262 20 5 BDBDMO C[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886027977 592136126 /nfs/dbraw/zinc/13/61/26/592136126.db2.gz KVBZXNSIYOXPBM-SECBINFHSA-N 1 1 221.260 1.974 20 5 BDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000886092489 592148028 /nfs/dbraw/zinc/14/80/28/592148028.db2.gz YGVOUYAKDRFFCH-SCZZXKLOSA-N 1 1 219.244 1.584 20 5 BDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000886092489 592148032 /nfs/dbraw/zinc/14/80/32/592148032.db2.gz YGVOUYAKDRFFCH-SCZZXKLOSA-N 1 1 219.244 1.584 20 5 BDBDMO CC[C@@H](CO)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886220428 592179842 /nfs/dbraw/zinc/17/98/42/592179842.db2.gz HWYIPYAAITWONH-JTQLQIEISA-N 1 1 239.275 1.193 20 5 BDBDMO CC[C@@H](CO)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886220428 592179843 /nfs/dbraw/zinc/17/98/43/592179843.db2.gz HWYIPYAAITWONH-JTQLQIEISA-N 1 1 239.275 1.193 20 5 BDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934024324 631599151 /nfs/dbraw/zinc/59/91/51/631599151.db2.gz PWQSDFKHUJZDCM-GFCCVEGCSA-N 1 1 236.271 1.204 20 5 BDBDMO C[C@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1C ZINC000159980732 635761217 /nfs/dbraw/zinc/76/12/17/635761217.db2.gz YTIUTELEOSPHTF-UWVGGRQHSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CC[C@@H]1C ZINC000159980732 635761220 /nfs/dbraw/zinc/76/12/20/635761220.db2.gz YTIUTELEOSPHTF-UWVGGRQHSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@H]([N@H+](C)Cn1nccc1[N+](=O)[O-])C1(C)CC1 ZINC000176831054 632530747 /nfs/dbraw/zinc/53/07/47/632530747.db2.gz MTNQPGWCXFYNFK-VIFPVBQESA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@H]([N@@H+](C)Cn1nccc1[N+](=O)[O-])C1(C)CC1 ZINC000176831054 632530756 /nfs/dbraw/zinc/53/07/56/632530756.db2.gz MTNQPGWCXFYNFK-VIFPVBQESA-N 1 1 238.291 1.869 20 5 BDBDMO Cc1ccc(OCC[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929186303 636921096 /nfs/dbraw/zinc/92/10/96/636921096.db2.gz CCDGTHIZELMCKH-UHFFFAOYSA-N 1 1 238.287 1.582 20 5 BDBDMO Cc1ccc(OCC[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929186303 636921098 /nfs/dbraw/zinc/92/10/98/636921098.db2.gz CCDGTHIZELMCKH-UHFFFAOYSA-N 1 1 238.287 1.582 20 5 BDBDMO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC[N+](=O)[O-])o1 ZINC000905056416 637589840 /nfs/dbraw/zinc/58/98/40/637589840.db2.gz ZHGBSWVRLBADGA-WPRPVWTQSA-N 1 1 224.260 1.769 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000905228570 637688788 /nfs/dbraw/zinc/68/87/88/637688788.db2.gz IIHPRDHIOMCZLZ-JTQLQIEISA-N 1 1 240.234 1.516 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC2(CCCC2)C1 ZINC000930252435 639661107 /nfs/dbraw/zinc/66/11/07/639661107.db2.gz WEXBQXYNOZMTLJ-UHFFFAOYSA-N 1 1 212.293 1.919 20 5 BDBDMO C[C@@]12CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000930539207 639806088 /nfs/dbraw/zinc/80/60/88/639806088.db2.gz HRVQFUDHFORVSK-JGVFFNPUSA-N 1 1 220.219 1.240 20 5 BDBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC[N+](=O)[O-] ZINC000931067137 640056330 /nfs/dbraw/zinc/05/63/30/640056330.db2.gz MAOXMXREUWEKSO-VHSXEESVSA-N 1 1 200.282 1.916 20 5 BDBDMO CC(C)CCO[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931089352 640065478 /nfs/dbraw/zinc/06/54/78/640065478.db2.gz UVSMQYSHJXGBOM-LLVKDONJSA-N 1 1 230.308 1.400 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000931688079 640318663 /nfs/dbraw/zinc/31/86/63/640318663.db2.gz IBBSZGJJKZYGDI-QMMMGPOBSA-N 1 1 227.289 1.209 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000931688079 640318666 /nfs/dbraw/zinc/31/86/66/640318666.db2.gz IBBSZGJJKZYGDI-QMMMGPOBSA-N 1 1 227.289 1.209 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932385541 640501120 /nfs/dbraw/zinc/50/11/20/640501120.db2.gz JBCOQWJFYRSYIS-NSHDSACASA-N 1 1 221.260 1.399 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933913649 640789824 /nfs/dbraw/zinc/78/98/24/640789824.db2.gz UUXLVMPETKLDCG-JTQLQIEISA-N 1 1 230.333 1.481 20 5 BDBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000934758938 641258781 /nfs/dbraw/zinc/25/87/81/641258781.db2.gz PGSYSXHQIQUVIH-VHSXEESVSA-N 1 1 212.293 1.774 20 5 BDBDMO C[C@H](O)C[N@@H+](CC[N+](=O)[O-])C1CCCCC1 ZINC000929528676 646173807 /nfs/dbraw/zinc/17/38/07/646173807.db2.gz FKFXCQPCTRZDRR-JTQLQIEISA-N 1 1 230.308 1.279 20 5 BDBDMO CCCC[N@@H+](CCOC)CC[N+](=O)[O-] ZINC000929614107 646198049 /nfs/dbraw/zinc/19/80/49/646198049.db2.gz NOIXVIWLXBCMQX-UHFFFAOYSA-N 1 1 204.270 1.012 20 5 BDBDMO CC1(C)C[N@H+](CC[N+](=O)[O-])C(C)(C)CO1 ZINC000929654493 646222882 /nfs/dbraw/zinc/22/28/82/646222882.db2.gz VSESEAAYUAKGRX-UHFFFAOYSA-N 1 1 216.281 1.153 20 5 BDBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])C(C)(C)CO1 ZINC000929654493 646222886 /nfs/dbraw/zinc/22/28/86/646222886.db2.gz VSESEAAYUAKGRX-UHFFFAOYSA-N 1 1 216.281 1.153 20 5 BDBDMO CC(C)[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929669229 646231272 /nfs/dbraw/zinc/23/12/72/646231272.db2.gz UCZVZEMBKXTMMM-SNVBAGLBSA-N 1 1 200.282 1.774 20 5 BDBDMO CC[N@H+]1CC[C@H](N(C)CC[N+](=O)[O-])C[C@@H]1C ZINC000929782302 646309940 /nfs/dbraw/zinc/30/99/40/646309940.db2.gz UNOFHRHEJPMFDS-QWRGUYRKSA-N 1 1 229.324 1.068 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000930121631 646444658 /nfs/dbraw/zinc/44/46/58/646444658.db2.gz QXEHCTMUFKRDDV-ZCFIWIBFSA-N 1 1 212.171 1.147 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000930121631 646444662 /nfs/dbraw/zinc/44/46/62/646444662.db2.gz QXEHCTMUFKRDDV-ZCFIWIBFSA-N 1 1 212.171 1.147 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712595716 712436385 /nfs/dbraw/zinc/43/63/85/712436385.db2.gz RYGREGYKPSWQNR-QMMMGPOBSA-N 1 1 222.248 1.106 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712595716 712436387 /nfs/dbraw/zinc/43/63/87/712436387.db2.gz RYGREGYKPSWQNR-QMMMGPOBSA-N 1 1 222.248 1.106 20 5 BDBDMO CC(C)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005655 969331161 /nfs/dbraw/zinc/33/11/61/969331161.db2.gz BWJKJDKEZREJRZ-UWVGGRQHSA-N 1 1 200.282 1.772 20 5 BDBDMO C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169007713 969333455 /nfs/dbraw/zinc/33/34/55/969333455.db2.gz PTZZJKPCFBZVBJ-PWSUYJOCSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@@H+](CC1COC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033282 969353566 /nfs/dbraw/zinc/35/35/66/969353566.db2.gz BRRHHUMGOALIBB-MWLCHTKSSA-N 1 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O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC3(CC3)C2)C1 ZINC001169011889 969338108 /nfs/dbraw/zinc/33/81/08/969338108.db2.gz NFOAJOPRVCXBRJ-QWRGUYRKSA-N 1 1 224.304 1.918 20 5 BDBDMO CO[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010161 969339068 /nfs/dbraw/zinc/33/90/68/969339068.db2.gz ZDVNQAVKLBVPAV-SDDRHHMPSA-N 1 1 242.319 1.543 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042456 969360707 /nfs/dbraw/zinc/36/07/07/969360707.db2.gz DOSKTSLADQMSIV-IRCOFANPSA-N 1 1 242.319 1.541 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006753 974759472 /nfs/dbraw/zinc/75/94/72/974759472.db2.gz HGNOPHLERRYHFW-QMMMGPOBSA-N 1 1 240.234 1.817 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226335585 974862542 /nfs/dbraw/zinc/86/25/42/974862542.db2.gz JGWHUZCACWTKJC-MRVPVSSYSA-N 1 1 238.243 1.383 20 5 BDBDMO Cc1cc(O[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001226840086 975115473 /nfs/dbraw/zinc/11/54/73/975115473.db2.gz CCEDFXGBDVFLIN-LLVKDONJSA-N 1 1 236.271 1.986 20 5 BDBDMO CS[C@@H]1CC[C@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC001333832381 976110410 /nfs/dbraw/zinc/11/04/10/976110410.db2.gz GIXFVQASLRNLMC-DTWKUNHWSA-N 1 1 218.322 1.479 20 5 BDBDMO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1Cl ZINC001228483016 976254395 /nfs/dbraw/zinc/25/43/95/976254395.db2.gz QHJUVSUIAZDIEN-ZETCQYMHSA-O 1 1 246.718 1.309 20 5 BDBDMO C[C@H](C[N+](C)(C)C)Oc1nnc2c[nH]ccc1-2 ZINC001228988993 976613531 /nfs/dbraw/zinc/61/35/31/976613531.db2.gz DCJDONRCNCAVNA-SECBINFHSA-N 1 1 235.311 1.431 20 5 BDBDMO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC001335328374 976967237 /nfs/dbraw/zinc/96/72/37/976967237.db2.gz UBKFKALHOHEVFA-NSHDSACASA-N 1 1 223.276 1.645 20 5 BDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC001325204529 989119857 /nfs/dbraw/zinc/11/98/57/989119857.db2.gz WYSYRRVVKZRPSQ-UHFFFAOYSA-N 1 1 240.307 1.912 20 5 BDBDMO Cc1ccc([N+](=O)[O-])cc1OC(=O)C1([NH3+])CC1 ZINC001574159015 992815217 /nfs/dbraw/zinc/81/52/17/992815217.db2.gz NMZIFOUGDGUDLM-UHFFFAOYSA-N 1 1 236.227 1.300 20 5 BDBDMO C[N@H+]1CC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134584992 342871131 /nfs/dbraw/zinc/87/11/31/342871131.db2.gz NPNCKEKAGPRCAY-VIFPVBQESA-N 1 1 236.275 1.353 20 5 BDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000134847709 342901981 /nfs/dbraw/zinc/90/19/81/342901981.db2.gz UDZDPAUWUOUACT-UHFFFAOYSA-N 1 1 238.287 1.798 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)CO ZINC000349290928 136337005 /nfs/dbraw/zinc/33/70/05/136337005.db2.gz YSOKSONKGSUJEP-JTQLQIEISA-N 1 1 238.287 1.716 20 5 BDBDMO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N(C)C ZINC000038087515 343942214 /nfs/dbraw/zinc/94/22/14/343942214.db2.gz PZVHSGQDKLHJOY-QMMMGPOBSA-N 1 1 243.332 1.696 20 5 BDBDMO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000038088053 343942475 /nfs/dbraw/zinc/94/24/75/343942475.db2.gz OWCFEJOSWZDZNU-JTQLQIEISA-N 1 1 237.303 1.635 20 5 BDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=CCC1 ZINC000611517439 344748691 /nfs/dbraw/zinc/74/86/91/344748691.db2.gz BXOKTNIWRXQGJP-UHFFFAOYSA-N 1 1 249.270 1.018 20 5 BDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C)CC2)c1 ZINC000082037160 345496575 /nfs/dbraw/zinc/49/65/75/345496575.db2.gz ZZVOMFYLHDQHMW-UHFFFAOYSA-N 1 1 235.287 1.655 20 5 BDBDMO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000114838164 345676310 /nfs/dbraw/zinc/67/63/10/345676310.db2.gz TZDLPWFHPNKZJC-LLVKDONJSA-N 1 1 249.270 1.628 20 5 BDBDMO C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000114838164 345676313 /nfs/dbraw/zinc/67/63/13/345676313.db2.gz TZDLPWFHPNKZJC-LLVKDONJSA-N 1 1 249.270 1.628 20 5 BDBDMO C[C@H](C[NH3+])N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725153 347937134 /nfs/dbraw/zinc/93/71/34/347937134.db2.gz FQKXLEVACJBCDS-MRVPVSSYSA-N 1 1 239.275 1.079 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000595807477 348348803 /nfs/dbraw/zinc/34/88/03/348348803.db2.gz JHZRQYHUGWQAGI-NXEZZACHSA-N 1 1 236.275 1.133 20 5 BDBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350086688 350315380 /nfs/dbraw/zinc/31/53/80/350315380.db2.gz UFHQMQRXLSEPIC-VHSXEESVSA-N 1 1 238.291 1.522 20 5 BDBDMO Cc1nn(CCc2c[nH+]cn2C)c(C)c1[N+](=O)[O-] ZINC000287238690 180388915 /nfs/dbraw/zinc/38/89/15/180388915.db2.gz ONYFMIXHZOLLJR-UHFFFAOYSA-N 1 1 249.274 1.384 20 5 BDBDMO Cc1c(Cc2nc(C[NH3+])no2)cccc1[N+](=O)[O-] ZINC000577511910 365975991 /nfs/dbraw/zinc/97/59/91/365975991.db2.gz CPIQEFHRHNAKCG-UHFFFAOYSA-N 1 1 248.242 1.336 20 5 BDBDMO C[C@H]1C[N@@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000344426072 351125834 /nfs/dbraw/zinc/12/58/34/351125834.db2.gz IUZSKBOYSYGCJD-JTQLQIEISA-N 1 1 235.287 1.735 20 5 BDBDMO Cc1nn(Cc2ccc[nH+]c2N)c(C)c1[N+](=O)[O-] ZINC000052733110 351145148 /nfs/dbraw/zinc/14/51/48/351145148.db2.gz BHHDNDSIRWKJRR-UHFFFAOYSA-N 1 1 247.258 1.434 20 5 BDBDMO CC(C)[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266938577 187845084 /nfs/dbraw/zinc/84/50/84/187845084.db2.gz VWIMENCZSUISOT-JTQLQIEISA-N 1 1 240.307 1.768 20 5 BDBDMO COc1cc(C[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000351970615 134024831 /nfs/dbraw/zinc/02/48/31/134024831.db2.gz GDTDUWVTPZEAKI-UHFFFAOYSA-N 1 1 240.259 1.028 20 5 BDBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CNC1 ZINC000582899032 357424703 /nfs/dbraw/zinc/42/47/03/357424703.db2.gz OAOPKQYECOXKOL-SNVBAGLBSA-N 1 1 249.314 1.477 20 5 BDBDMO C[C@H](O)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000131092071 371555232 /nfs/dbraw/zinc/55/52/32/371555232.db2.gz LKIFPKQHPNKXPJ-ZETCQYMHSA-N 1 1 230.289 1.469 20 5 BDBDMO C[C@H](O)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000131092071 371555239 /nfs/dbraw/zinc/55/52/39/371555239.db2.gz LKIFPKQHPNKXPJ-ZETCQYMHSA-N 1 1 230.289 1.469 20 5 BDBDMO CC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439693 371803095 /nfs/dbraw/zinc/80/30/95/371803095.db2.gz LCBYDOABRZYFST-MRVPVSSYSA-N 1 1 226.280 1.559 20 5 BDBDMO CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332705337 169208555 /nfs/dbraw/zinc/20/85/55/169208555.db2.gz WVVLCUGUHOVYRG-UHFFFAOYSA-N 1 1 221.260 1.758 20 5 BDBDMO C[N@@H+](CCC1CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000135252749 384195802 /nfs/dbraw/zinc/19/58/02/384195802.db2.gz SZSDJGJPRZEYBF-UHFFFAOYSA-N 1 1 238.291 1.523 20 5 BDBDMO C[C@H](O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000075783299 384338061 /nfs/dbraw/zinc/33/80/61/384338061.db2.gz GNIZUKKXWAETTL-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(C[NH3+])no1 ZINC000564958529 384593610 /nfs/dbraw/zinc/59/36/10/384593610.db2.gz GJDVCYVRDDTAEP-UHFFFAOYSA-N 1 1 248.242 1.720 20 5 BDBDMO C[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000225426380 384849141 /nfs/dbraw/zinc/84/91/41/384849141.db2.gz KPJYACITVAYAPN-UHFFFAOYSA-N 1 1 240.244 1.426 20 5 BDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106882409 384935788 /nfs/dbraw/zinc/93/57/88/384935788.db2.gz LHBMSLQBQQJLMM-GFCCVEGCSA-N 1 1 236.271 1.816 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000364317714 385029950 /nfs/dbraw/zinc/02/99/50/385029950.db2.gz OWZYOUJZWZOZQM-GFCCVEGCSA-N 1 1 248.282 1.552 20 5 BDBDMO C[NH2+]CCCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414864545 385763128 /nfs/dbraw/zinc/76/31/28/385763128.db2.gz ZKVMRRRCXQMYBD-QPJJXVBHSA-N 1 1 249.314 1.807 20 5 BDBDMO CN(CCC[NH3+])CCc1cccc([N+](=O)[O-])c1 ZINC000414770032 386456574 /nfs/dbraw/zinc/45/65/74/386456574.db2.gz XKOXTGVZGAFVIL-UHFFFAOYSA-N 1 1 237.303 1.418 20 5 BDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000590661444 388128735 /nfs/dbraw/zinc/12/87/35/388128735.db2.gz OVMRPUPYNNOAJM-VXNVDRBHSA-N 1 1 242.300 1.611 20 5 BDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000590661444 388128738 /nfs/dbraw/zinc/12/87/38/388128738.db2.gz OVMRPUPYNNOAJM-VXNVDRBHSA-N 1 1 242.300 1.611 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCO)CC2 ZINC000304943842 388361467 /nfs/dbraw/zinc/36/14/67/388361467.db2.gz BZMWKRGFFYVDHA-UHFFFAOYSA-N 1 1 236.271 1.335 20 5 BDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCO)CC2 ZINC000304943842 388361468 /nfs/dbraw/zinc/36/14/68/388361468.db2.gz BZMWKRGFFYVDHA-UHFFFAOYSA-N 1 1 236.271 1.335 20 5 BDBDMO C[C@@H](NCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037713518 388586737 /nfs/dbraw/zinc/58/67/37/388586737.db2.gz NSTISNMYMDXZKN-SECBINFHSA-N 1 1 223.276 1.594 20 5 BDBDMO C[C@@H](NCC[C@H](C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423223766 388689761 /nfs/dbraw/zinc/68/97/61/388689761.db2.gz ANAZALKYZOOPSS-VHSXEESVSA-N 1 1 237.303 1.983 20 5 BDBDMO Cc1cn(CCCn2cc[nH+]c2C)nc1[N+](=O)[O-] ZINC000282379360 388816738 /nfs/dbraw/zinc/81/67/38/388816738.db2.gz YXARLIIZRCZZDZ-UHFFFAOYSA-N 1 1 249.274 1.695 20 5 BDBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267092387 176169391 /nfs/dbraw/zinc/16/93/91/176169391.db2.gz QDMVIOYXSCPUSV-SECBINFHSA-N 1 1 224.264 1.133 20 5 BDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351783322 176304023 /nfs/dbraw/zinc/30/40/23/176304023.db2.gz RKWHIXOZNFGJPH-SKDRFNHKSA-N 1 1 236.271 1.407 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351956984 177266606 /nfs/dbraw/zinc/26/66/06/177266606.db2.gz DTQOASSSMZZCST-CABZTGNLSA-N 1 1 236.271 1.407 20 5 BDBDMO C[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000051821342 488049351 /nfs/dbraw/zinc/04/93/51/488049351.db2.gz XBTPHQRWTFPAQM-SECBINFHSA-N 1 1 224.260 1.407 20 5 BDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000893936450 583252391 /nfs/dbraw/zinc/25/23/91/583252391.db2.gz WYYPIFHNUXAZAM-ONGXEEELSA-N 1 1 248.286 1.130 20 5 BDBDMO O=[N+]([O-])c1ccc(N[C@@H]2Cc3c[nH+]cn3C2)nc1 ZINC000894994741 583564389 /nfs/dbraw/zinc/56/43/89/583564389.db2.gz FYWHAMQKBYEHDS-MRVPVSSYSA-N 1 1 245.242 1.223 20 5 BDBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000744442076 585150363 /nfs/dbraw/zinc/15/03/63/585150363.db2.gz WHIZIGNYDZSCJH-ZJUUUORDSA-N 1 1 238.291 1.869 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC2(C1)CCCCC2 ZINC000791052987 585972618 /nfs/dbraw/zinc/97/26/18/585972618.db2.gz QUFOMSZJYLOEBQ-UHFFFAOYSA-N 1 1 212.293 1.919 20 5 BDBDMO C[N@H+](CCOc1ccccc1)CC[N+](=O)[O-] ZINC000791053383 585973252 /nfs/dbraw/zinc/97/32/52/585973252.db2.gz LNYCRRBYLXBBMF-UHFFFAOYSA-N 1 1 224.260 1.274 20 5 BDBDMO C[N@@H+](CCOc1ccccc1)CC[N+](=O)[O-] ZINC000791053383 585973253 /nfs/dbraw/zinc/97/32/53/585973253.db2.gz LNYCRRBYLXBBMF-UHFFFAOYSA-N 1 1 224.260 1.274 20 5 BDBDMO CS[C@H]1CCCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791055134 585973365 /nfs/dbraw/zinc/97/33/65/585973365.db2.gz PLLIZVIFXHBRGM-VIFPVBQESA-N 1 1 218.322 1.481 20 5 BDBDMO Cn1cccc1[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000798194895 586139520 /nfs/dbraw/zinc/13/95/20/586139520.db2.gz BKJNTTVKRYSOKA-LLVKDONJSA-N 1 1 223.276 1.439 20 5 BDBDMO Cn1cccc1[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000798194895 586139521 /nfs/dbraw/zinc/13/95/21/586139521.db2.gz BKJNTTVKRYSOKA-LLVKDONJSA-N 1 1 223.276 1.439 20 5 BDBDMO C[N@H+](Cn1nccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000840163045 586501155 /nfs/dbraw/zinc/50/11/55/586501155.db2.gz DVAZBNLURHRRKW-UHFFFAOYSA-N 1 1 238.291 1.869 20 5 BDBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000840163045 586501157 /nfs/dbraw/zinc/50/11/57/586501157.db2.gz DVAZBNLURHRRKW-UHFFFAOYSA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@@H]([NH3+])CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000863568395 589300346 /nfs/dbraw/zinc/30/03/46/589300346.db2.gz KMJMNJYJGUPFKG-MRVPVSSYSA-N 1 1 239.275 1.079 20 5 BDBDMO CC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000126264766 635725235 /nfs/dbraw/zinc/72/52/35/635725235.db2.gz RWVLQPINUSIZAE-JTQLQIEISA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000126264766 635725243 /nfs/dbraw/zinc/72/52/43/635725243.db2.gz RWVLQPINUSIZAE-JTQLQIEISA-N 1 1 238.291 1.871 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000899886171 637148185 /nfs/dbraw/zinc/14/81/85/637148185.db2.gz RQKKNZBNMWHGFP-JTQLQIEISA-N 1 1 210.277 1.528 20 5 BDBDMO CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000905049013 637566382 /nfs/dbraw/zinc/56/63/82/637566382.db2.gz NPPSZKQPHPPBHT-LBPRGKRZSA-N 1 1 243.351 1.363 20 5 BDBDMO COc1ccc(C[NH2+]CC[N+](=O)[O-])c(F)c1 ZINC000905159607 637640204 /nfs/dbraw/zinc/64/02/04/637640204.db2.gz ONVLGFMIEKBOSO-UHFFFAOYSA-N 1 1 228.223 1.201 20 5 BDBDMO CC(C)C[N@H+]1CCC[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905184785 637666731 /nfs/dbraw/zinc/66/67/31/637666731.db2.gz XQCREVBVGYVUMO-LBPRGKRZSA-N 1 1 243.351 1.221 20 5 BDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000930235321 639645621 /nfs/dbraw/zinc/64/56/21/639645621.db2.gz MLAFVJOFUUETIM-QMMMGPOBSA-N 1 1 239.231 1.522 20 5 BDBDMO C[N@H+]1CC[C@@H](NCC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000930356920 639729696 /nfs/dbraw/zinc/72/96/96/639729696.db2.gz LJBNILKZKVULEA-OLZOCXBDSA-N 1 1 249.314 1.298 20 5 BDBDMO CN1CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000930356920 639729701 /nfs/dbraw/zinc/72/97/01/639729701.db2.gz LJBNILKZKVULEA-OLZOCXBDSA-N 1 1 249.314 1.298 20 5 BDBDMO Cc1n[nH]cc1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930370347 639736481 /nfs/dbraw/zinc/73/64/81/639736481.db2.gz LVMULSIHGBQURM-UHFFFAOYSA-N 1 1 238.291 1.174 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000930663745 639852353 /nfs/dbraw/zinc/85/23/53/639852353.db2.gz MEAGHRCGNNKERX-SNVBAGLBSA-N 1 1 230.333 1.482 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931922906 640389978 /nfs/dbraw/zinc/38/99/78/640389978.db2.gz KYCPGWIASYQPSC-QWHCGFSZSA-N 1 1 232.283 1.537 20 5 BDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000932177533 640448917 /nfs/dbraw/zinc/44/89/17/640448917.db2.gz ZLPOJRJLJLYYKN-MRVPVSSYSA-N 1 1 239.231 1.522 20 5 BDBDMO CC(C)[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075666544 641767199 /nfs/dbraw/zinc/76/71/99/641767199.db2.gz GTTBCAVTCROLCA-UHFFFAOYSA-N 1 1 224.264 1.622 20 5 BDBDMO CC(C)[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075666544 641767204 /nfs/dbraw/zinc/76/72/04/641767204.db2.gz GTTBCAVTCROLCA-UHFFFAOYSA-N 1 1 224.264 1.622 20 5 BDBDMO C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245773740 644541304 /nfs/dbraw/zinc/54/13/04/644541304.db2.gz SSEJGHJYYUKWSP-VHSXEESVSA-N 1 1 238.291 1.727 20 5 BDBDMO C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245773740 644541307 /nfs/dbraw/zinc/54/13/07/644541307.db2.gz SSEJGHJYYUKWSP-VHSXEESVSA-N 1 1 238.291 1.727 20 5 BDBDMO O=C1C=C([NH2+]Nc2ccccc2[N+](=O)[O-])NC1 ZINC000747623892 644584679 /nfs/dbraw/zinc/58/46/79/644584679.db2.gz FMNIGCRHTDBHRT-UHFFFAOYSA-N 1 1 234.215 1.365 20 5 BDBDMO [NH3+][C@H]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000093215865 644681796 /nfs/dbraw/zinc/68/17/96/644681796.db2.gz JKACJQIPAZOZPO-NWDGAFQWSA-N 1 1 249.314 1.954 20 5 BDBDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC000929274027 646034412 /nfs/dbraw/zinc/03/44/12/646034412.db2.gz PQDOWASVIDJYDK-VHSXEESVSA-N 1 1 200.282 1.774 20 5 BDBDMO CC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000929667469 646233409 /nfs/dbraw/zinc/23/34/09/646233409.db2.gz KPFFOTQWNCLZSE-SNVBAGLBSA-N 1 1 200.282 1.775 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000929887857 646368677 /nfs/dbraw/zinc/36/86/77/646368677.db2.gz WPRBTIZOKFZCOF-SNVBAGLBSA-N 1 1 209.249 1.428 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000929887857 646368681 /nfs/dbraw/zinc/36/86/81/646368681.db2.gz WPRBTIZOKFZCOF-SNVBAGLBSA-N 1 1 209.249 1.428 20 5 BDBDMO COc1ccccc1C(C)(C)[NH2+]CC[N+](=O)[O-] ZINC000929960807 646379844 /nfs/dbraw/zinc/37/98/44/646379844.db2.gz BOAQCXAMXNDCHU-UHFFFAOYSA-N 1 1 238.287 1.797 20 5 BDBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])CC12CCC2 ZINC000930170965 646471925 /nfs/dbraw/zinc/47/19/25/646471925.db2.gz KFFRRYMMWHBBGM-JTQLQIEISA-N 1 1 212.293 1.775 20 5 BDBDMO CC[C@]1(C)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000758399733 712408530 /nfs/dbraw/zinc/40/85/30/712408530.db2.gz YRQWMCJQTSFQSJ-LLVKDONJSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@]1(C)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000758399733 712408531 /nfs/dbraw/zinc/40/85/31/712408531.db2.gz YRQWMCJQTSFQSJ-LLVKDONJSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@H](c1ccncc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791054597 712422157 /nfs/dbraw/zinc/42/21/57/712422157.db2.gz LPKYYFISCMDIRR-LLVKDONJSA-N 1 1 223.276 1.741 20 5 BDBDMO CC[C@H](c1ccncc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791054597 712422159 /nfs/dbraw/zinc/42/21/59/712422159.db2.gz LPKYYFISCMDIRR-LLVKDONJSA-N 1 1 223.276 1.741 20 5 BDBDMO CC[N@H+]1CC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000712593178 712435448 /nfs/dbraw/zinc/43/54/48/712435448.db2.gz CTOSKMXVBUOKPF-SECBINFHSA-N 1 1 236.275 1.496 20 5 BDBDMO COCC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(C)o1 ZINC001335222452 976889525 /nfs/dbraw/zinc/88/95/25/976889525.db2.gz QMRQASULWKZHQU-SNVBAGLBSA-N 1 1 242.275 1.532 20 5 BDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC001345019423 980524531 /nfs/dbraw/zinc/52/45/31/980524531.db2.gz RIOROXOXWUECJC-NXEZZACHSA-N 1 1 244.291 1.068 20 5 BDBDMO N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246477295 972348787 /nfs/dbraw/zinc/34/87/87/972348787.db2.gz HSWGKTMBMXZNST-KKOKHZNYSA-N 1 1 241.335 1.291 20 5 BDBDMO CC(C)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005658 969330108 /nfs/dbraw/zinc/33/01/08/969330108.db2.gz BWJKJDKEZREJRZ-ZJUUUORDSA-N 1 1 200.282 1.772 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCOCC2)C1 ZINC001169007578 969334664 /nfs/dbraw/zinc/33/46/64/969334664.db2.gz OGHGFLLAXHYGSQ-MNOVXSKESA-N 1 1 228.292 1.154 20 5 BDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169009707 969335053 /nfs/dbraw/zinc/33/50/53/969335053.db2.gz XJKOXJIOCXLYCM-IJLUTSLNSA-N 1 1 242.319 1.543 20 5 BDBDMO C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009660 969335707 /nfs/dbraw/zinc/33/57/07/969335707.db2.gz WYDXQVJMPCPZEN-GMTAPVOTSA-N 1 1 212.293 1.916 20 5 BDBDMO C[C@]1(CO)CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011228 969338557 /nfs/dbraw/zinc/33/85/57/969338557.db2.gz IVWCGXRGFBIMMU-TUAOUCFPSA-N 1 1 242.319 1.136 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](O)C2)C1 ZINC001169010285 969339892 /nfs/dbraw/zinc/33/98/92/969339892.db2.gz CEGTXZBVNKVKDJ-WOPDTQHZSA-N 1 1 242.319 1.279 20 5 BDBDMO C[C@H]1CC(=O)CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038545 969356007 /nfs/dbraw/zinc/35/60/07/969356007.db2.gz ZKNAVUONWRUHHP-AXFHLTTASA-N 1 1 240.303 1.485 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@H](F)C2)C1 ZINC001169023893 969366206 /nfs/dbraw/zinc/36/62/06/969366206.db2.gz GHSQPLIEQBPOJT-AEJSXWLSSA-N 1 1 216.256 1.476 20 5 BDBDMO CCO[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047884 969367086 /nfs/dbraw/zinc/36/70/86/969367086.db2.gz SFNADFBKQBBIGB-SDDRHHMPSA-N 1 1 242.319 1.543 20 5 BDBDMO C[N@@H+](CCF)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056946 969370677 /nfs/dbraw/zinc/37/06/77/969370677.db2.gz UJICLEBUUMMSCY-BDAKNGLRSA-N 1 1 204.245 1.333 20 5 BDBDMO C[N@H+](C1COC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600986 969744453 /nfs/dbraw/zinc/74/44/53/969744453.db2.gz UELGNWOIXQIUIC-LBPRGKRZSA-N 1 1 248.282 1.393 20 5 BDBDMO C[N@@H+](C1COC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600986 969744460 /nfs/dbraw/zinc/74/44/60/969744460.db2.gz UELGNWOIXQIUIC-LBPRGKRZSA-N 1 1 248.282 1.393 20 5 BDBDMO Nc1cn[nH+]cc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210953252 970089355 /nfs/dbraw/zinc/08/93/55/970089355.db2.gz YPHIOKFIKHBBKN-UHFFFAOYSA-N 1 1 249.205 1.850 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225591344 974579438 /nfs/dbraw/zinc/57/94/38/974579438.db2.gz XBIVUZDJGZHDDZ-QMMMGPOBSA-N 1 1 223.232 1.073 20 5 BDBDMO CS[C@H]1CC[C@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC001333832387 976112753 /nfs/dbraw/zinc/11/27/53/976112753.db2.gz GIXFVQASLRNLMC-IUCAKERBSA-N 1 1 218.322 1.479 20 5 BDBDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC[N+](=O)[O-] ZINC001334682151 976584607 /nfs/dbraw/zinc/58/46/07/976584607.db2.gz UKPWMCPVIIPZDQ-SFYZADRCSA-N 1 1 240.225 1.926 20 5 BDBDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC[N+](=O)[O-] ZINC001334682151 976584621 /nfs/dbraw/zinc/58/46/21/976584621.db2.gz UKPWMCPVIIPZDQ-SFYZADRCSA-N 1 1 240.225 1.926 20 5 BDBDMO Nc1cn[nH+]cc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734201 977671688 /nfs/dbraw/zinc/67/16/88/977671688.db2.gz NOXJYJJOEDDINI-UHFFFAOYSA-N 1 1 249.205 1.850 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001176927327 978245916 /nfs/dbraw/zinc/24/59/16/978245916.db2.gz QWCJKAUPVIVDBR-MNOVXSKESA-N 1 1 228.292 1.297 20 5 BDBDMO O=[N+]([O-])C[C@@H](Oc1ccc2[nH+]ccn2c1)C1CC1 ZINC001233756359 978691353 /nfs/dbraw/zinc/69/13/53/978691353.db2.gz ZRJHZPRNWVAIQD-LLVKDONJSA-N 1 1 247.254 1.768 20 5 BDBDMO C[N@H+]1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857999 978714828 /nfs/dbraw/zinc/71/48/28/978714828.db2.gz QPEKAZWJMCTYDP-SNVBAGLBSA-N 1 1 237.259 1.463 20 5 BDBDMO C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC001460114740 985750220 /nfs/dbraw/zinc/75/02/20/985750220.db2.gz XLZZWVWXHWQAIV-CABZTGNLSA-N 1 1 236.271 1.550 20 5 BDBDMO C[C@H]1CC[C@@H](CN)[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246545425 987922501 /nfs/dbraw/zinc/92/25/01/987922501.db2.gz KPCUQNHTSLIDPM-QCNOEVLYSA-N 1 1 241.335 1.243 20 5 BDBDMO C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H](C)[NH2+]1 ZINC001246970153 988801439 /nfs/dbraw/zinc/80/14/39/988801439.db2.gz SKGXAQVBZLOTLN-WISYIIOYSA-N 1 1 241.335 1.114 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001560065048 991373238 /nfs/dbraw/zinc/37/32/38/991373238.db2.gz CCDYQYAXZZMFQR-MCIONIFRSA-N 1 1 246.310 1.999 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000267024837 398270037 /nfs/dbraw/zinc/27/00/37/398270037.db2.gz LCUVSAOPYVCZKT-SNVBAGLBSA-N 1 1 240.234 1.301 20 5 BDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000267024837 398270039 /nfs/dbraw/zinc/27/00/39/398270039.db2.gz LCUVSAOPYVCZKT-SNVBAGLBSA-N 1 1 240.234 1.301 20 5 BDBDMO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000134403318 342826053 /nfs/dbraw/zinc/82/60/53/342826053.db2.gz OEUMIQWYPWWFFZ-VIFPVBQESA-N 1 1 248.286 1.638 20 5 BDBDMO CC1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174880122 362002900 /nfs/dbraw/zinc/00/29/00/362002900.db2.gz NKLGJVVOXDPANN-UHFFFAOYSA-N 1 1 238.291 1.523 20 5 BDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC1(C)C ZINC000489414751 398311946 /nfs/dbraw/zinc/31/19/46/398311946.db2.gz OUSSXEKDKCUURH-SECBINFHSA-N 1 1 238.291 1.522 20 5 BDBDMO CCC[N@@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602769030 349724012 /nfs/dbraw/zinc/72/40/12/349724012.db2.gz LSOFZSQQVKXGEO-UHFFFAOYSA-N 1 1 240.307 1.832 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000602832746 349768584 /nfs/dbraw/zinc/76/85/84/349768584.db2.gz QVGZMLDWWLPOEQ-BDAKNGLRSA-N 1 1 238.291 1.440 20 5 BDBDMO C[C@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000038088054 343942425 /nfs/dbraw/zinc/94/24/25/343942425.db2.gz OWCFEJOSWZDZNU-SNVBAGLBSA-N 1 1 237.303 1.635 20 5 BDBDMO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000038088055 343942449 /nfs/dbraw/zinc/94/24/49/343942449.db2.gz NRQNILHDCKPZOL-JTQLQIEISA-N 1 1 237.303 1.635 20 5 BDBDMO C[N@H+]1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000221254847 344711863 /nfs/dbraw/zinc/71/18/63/344711863.db2.gz DPWMMDGQVPCLOY-SECBINFHSA-N 1 1 236.275 1.496 20 5 BDBDMO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\CO)c(F)c1 ZINC000594975416 348162444 /nfs/dbraw/zinc/16/24/44/348162444.db2.gz SUMHVPNJRAJJML-UPHRSURJSA-N 1 1 240.234 1.372 20 5 BDBDMO C[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291272 348214392 /nfs/dbraw/zinc/21/43/92/348214392.db2.gz PBQQGXNOGWIKOO-UHFFFAOYSA-N 1 1 228.223 1.158 20 5 BDBDMO C[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291272 348214397 /nfs/dbraw/zinc/21/43/97/348214397.db2.gz PBQQGXNOGWIKOO-UHFFFAOYSA-N 1 1 228.223 1.158 20 5 BDBDMO Cc1noc(C[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000595296908 348216293 /nfs/dbraw/zinc/21/62/93/348216293.db2.gz NTSDWDGJUSESAR-UHFFFAOYSA-N 1 1 227.264 1.979 20 5 BDBDMO Cc1noc(C[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000595296908 348216295 /nfs/dbraw/zinc/21/62/95/348216295.db2.gz NTSDWDGJUSESAR-UHFFFAOYSA-N 1 1 227.264 1.979 20 5 BDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000595807493 348348786 /nfs/dbraw/zinc/34/87/86/348348786.db2.gz JHZRQYHUGWQAGI-UWVGGRQHSA-N 1 1 236.275 1.133 20 5 BDBDMO Cc1[nH+]cn(Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000339738415 180287968 /nfs/dbraw/zinc/28/79/68/180287968.db2.gz LHVBVAGSXZVLGP-UHFFFAOYSA-N 1 1 235.247 1.190 20 5 BDBDMO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000089149825 357025807 /nfs/dbraw/zinc/02/58/07/357025807.db2.gz SADDHVJMEYPZNH-YPMHNXCESA-N 1 1 249.314 1.812 20 5 BDBDMO CC(C)C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331050597 371269983 /nfs/dbraw/zinc/26/99/83/371269983.db2.gz IDFXCJAQIPLMNO-UHFFFAOYSA-N 1 1 226.280 1.416 20 5 BDBDMO CC(C)C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331050597 371269990 /nfs/dbraw/zinc/26/99/90/371269990.db2.gz IDFXCJAQIPLMNO-UHFFFAOYSA-N 1 1 226.280 1.416 20 5 BDBDMO Cc1[nH+]cc(-c2cc([N+](=O)[O-])ccc2CO)n1C ZINC000600846173 371706298 /nfs/dbraw/zinc/70/62/98/371706298.db2.gz WABGCLINMKMNES-UHFFFAOYSA-N 1 1 247.254 1.796 20 5 BDBDMO O=[N+]([O-])c1ccn(CCn2cc[nH+]c2C2CC2)n1 ZINC000600611107 371687742 /nfs/dbraw/zinc/68/77/42/371687742.db2.gz MAGHUAFJKDDCNM-UHFFFAOYSA-N 1 1 247.258 1.565 20 5 BDBDMO CC[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602449225 371805089 /nfs/dbraw/zinc/80/50/89/371805089.db2.gz PAJZSRGGZXZSQZ-SNVBAGLBSA-N 1 1 238.291 1.703 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)[C@H]1C ZINC000602832747 371846285 /nfs/dbraw/zinc/84/62/85/371846285.db2.gz QVGZMLDWWLPOEQ-DTWKUNHWSA-N 1 1 238.291 1.440 20 5 BDBDMO CC[C@@H](C)[N@@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602885388 371852301 /nfs/dbraw/zinc/85/23/01/371852301.db2.gz VHILDTVHNQXFHR-SECBINFHSA-N 1 1 240.307 1.949 20 5 BDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC=CCC1 ZINC000602803192 371842491 /nfs/dbraw/zinc/84/24/91/371842491.db2.gz YZAHWZQXJHNZAP-UHFFFAOYSA-N 1 1 236.275 1.362 20 5 BDBDMO Cc1nn(C[C@@H]2CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000187651108 384069883 /nfs/dbraw/zinc/06/98/83/384069883.db2.gz GODXKSNYOVGZFL-SNVBAGLBSA-N 1 1 238.291 1.360 20 5 BDBDMO C[C@@]1(O)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000178015871 384195203 /nfs/dbraw/zinc/19/52/03/384195203.db2.gz YZSRITZNTANDQD-SNVBAGLBSA-N 1 1 242.300 1.613 20 5 BDBDMO C[C@@]1(O)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000178015871 384195207 /nfs/dbraw/zinc/19/52/07/384195207.db2.gz YZSRITZNTANDQD-SNVBAGLBSA-N 1 1 242.300 1.613 20 5 BDBDMO C[NH+](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000188685247 384529226 /nfs/dbraw/zinc/52/92/26/384529226.db2.gz ROEHERHXLCGIOH-UHFFFAOYSA-N 1 1 249.270 1.046 20 5 BDBDMO C[N@@H+](CCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000263991308 385191341 /nfs/dbraw/zinc/19/13/41/385191341.db2.gz JZYYIOYBZSNJAU-UHFFFAOYSA-N 1 1 238.287 1.799 20 5 BDBDMO C[N@@H+](CCO)CCc1ccccc1[N+](=O)[O-] ZINC000062727282 385149267 /nfs/dbraw/zinc/14/92/67/385149267.db2.gz ZIKGJKYEZAUFSO-UHFFFAOYSA-N 1 1 224.260 1.061 20 5 BDBDMO C[C@@H](CN)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414964208 385901998 /nfs/dbraw/zinc/90/19/98/385901998.db2.gz YJZZMOODQJXGPF-OAQKJQOQSA-N 1 1 235.287 1.545 20 5 BDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)C ZINC000267105195 386029536 /nfs/dbraw/zinc/02/95/36/386029536.db2.gz VLNNDDXXPYBMGY-UHFFFAOYSA-N 1 1 240.307 1.769 20 5 BDBDMO CC(C)[C@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267071531 386752216 /nfs/dbraw/zinc/75/22/16/386752216.db2.gz LCHHIOHGACQXAT-JTQLQIEISA-N 1 1 240.307 1.768 20 5 BDBDMO CO[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000267648153 387040906 /nfs/dbraw/zinc/04/09/06/387040906.db2.gz KNAVECYGJOLEIU-NSHDSACASA-N 1 1 236.271 1.816 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368333638 387293861 /nfs/dbraw/zinc/29/38/61/387293861.db2.gz UETQLJNOUHRJMS-ITGUQSILSA-N 1 1 248.282 1.265 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](C)C[NH3+] ZINC000414871616 387581523 /nfs/dbraw/zinc/58/15/23/387581523.db2.gz DPMORTVWCTUTJF-VIFPVBQESA-N 1 1 237.303 1.588 20 5 BDBDMO C[C@H](CC[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000414887024 387590100 /nfs/dbraw/zinc/59/01/00/387590100.db2.gz QKGXLENQHQFWMY-SECBINFHSA-N 1 1 223.276 1.422 20 5 BDBDMO Cc1noc(C[N@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595301626 388381091 /nfs/dbraw/zinc/38/10/91/388381091.db2.gz LZBRYNGSNDNQIA-ZETCQYMHSA-N 1 1 225.248 1.733 20 5 BDBDMO Cc1noc(C[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595301626 388381093 /nfs/dbraw/zinc/38/10/93/388381093.db2.gz LZBRYNGSNDNQIA-ZETCQYMHSA-N 1 1 225.248 1.733 20 5 BDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000174876995 388442992 /nfs/dbraw/zinc/44/29/92/388442992.db2.gz KPXHLQXGYHOZKK-UHFFFAOYSA-N 1 1 224.264 1.276 20 5 BDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCO ZINC000272377048 388419710 /nfs/dbraw/zinc/41/97/10/388419710.db2.gz VJBYCVNYDWQUEY-SNVBAGLBSA-N 1 1 238.287 1.888 20 5 BDBDMO C[N@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])cn1 ZINC000298484847 173006695 /nfs/dbraw/zinc/00/66/95/173006695.db2.gz APWSEXZBLDYXKV-JTQLQIEISA-N 1 1 238.291 1.666 20 5 BDBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000037647752 173147474 /nfs/dbraw/zinc/14/74/74/173147474.db2.gz YQUCGJWTOCOIEO-SNVBAGLBSA-N 1 1 235.287 1.958 20 5 BDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000293520265 176295338 /nfs/dbraw/zinc/29/53/38/176295338.db2.gz VZJITJKRYKSLIC-RKDXNWHRSA-N 1 1 224.264 1.132 20 5 BDBDMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000246289556 177162483 /nfs/dbraw/zinc/16/24/83/177162483.db2.gz AHDFZKVXOGPBML-UWVGGRQHSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@@H]1[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000339562925 177255505 /nfs/dbraw/zinc/25/55/05/177255505.db2.gz OWZZQFCLJUXDLB-DTWKUNHWSA-N 1 1 224.264 1.132 20 5 BDBDMO CC[N@H+](CC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000112199958 588785220 /nfs/dbraw/zinc/78/52/20/588785220.db2.gz KRYQKMDCRAJUQX-UHFFFAOYSA-N 1 1 224.264 1.481 20 5 BDBDMO CC[N@@H+](CC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000112199958 588785221 /nfs/dbraw/zinc/78/52/21/588785221.db2.gz KRYQKMDCRAJUQX-UHFFFAOYSA-N 1 1 224.264 1.481 20 5 BDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ncccc2[N+](=O)[O-])C1 ZINC000893940410 583255247 /nfs/dbraw/zinc/25/52/47/583255247.db2.gz OHWMBLKFPAERRD-ONGXEEELSA-N 1 1 248.286 1.130 20 5 BDBDMO CC1(C)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000726966654 583575735 /nfs/dbraw/zinc/57/57/35/583575735.db2.gz NEWHEMWEIGLJIE-UHFFFAOYSA-N 1 1 238.291 1.871 20 5 BDBDMO C[C@H]1C[C@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000740859266 585107735 /nfs/dbraw/zinc/10/77/35/585107735.db2.gz KECOJXRXJTYMSV-IUCAKERBSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@H]1C[C@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000740859266 585107736 /nfs/dbraw/zinc/10/77/36/585107736.db2.gz KECOJXRXJTYMSV-IUCAKERBSA-N 1 1 224.264 1.479 20 5 BDBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000744442073 585150403 /nfs/dbraw/zinc/15/04/03/585150403.db2.gz WHIZIGNYDZSCJH-NXEZZACHSA-N 1 1 238.291 1.869 20 5 BDBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000761076214 585406366 /nfs/dbraw/zinc/40/63/66/585406366.db2.gz JMCOGTGSIJXBAH-LLVKDONJSA-N 1 1 249.314 1.731 20 5 BDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000763334664 585446677 /nfs/dbraw/zinc/44/66/77/585446677.db2.gz UTUAGVRBIPCJRS-JTQLQIEISA-N 1 1 236.275 1.481 20 5 BDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000763334664 585446678 /nfs/dbraw/zinc/44/66/78/585446678.db2.gz UTUAGVRBIPCJRS-JTQLQIEISA-N 1 1 236.275 1.481 20 5 BDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC=CCC2)cc1 ZINC000778968341 585743085 /nfs/dbraw/zinc/74/30/85/585743085.db2.gz ZEMFQEBQHPFLQA-ZDUSSCGKSA-N 1 1 248.282 1.890 20 5 BDBDMO O=[N+]([O-])CC[N@H+](Cc1cccs1)C1CC1 ZINC000791053062 585972661 /nfs/dbraw/zinc/97/26/61/585972661.db2.gz HGDXTUQFZUDDED-UHFFFAOYSA-N 1 1 226.301 1.989 20 5 BDBDMO O=[N+]([O-])CC[N@@H+](Cc1cccs1)C1CC1 ZINC000791053062 585972662 /nfs/dbraw/zinc/97/26/62/585972662.db2.gz HGDXTUQFZUDDED-UHFFFAOYSA-N 1 1 226.301 1.989 20 5 BDBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC[N+](=O)[O-] ZINC000798198024 586140238 /nfs/dbraw/zinc/14/02/38/586140238.db2.gz XYECIZFGEBOKAT-VHSXEESVSA-N 1 1 200.282 1.774 20 5 BDBDMO CCO[C@H]1C[C@H]([N@@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000798197734 586140310 /nfs/dbraw/zinc/14/03/10/586140310.db2.gz UMNACTBUKNWHLW-UWVGGRQHSA-N 1 1 230.308 1.399 20 5 BDBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC[N+](=O)[O-])C1(C)C ZINC000798197733 586140373 /nfs/dbraw/zinc/14/03/73/586140373.db2.gz UMNACTBUKNWHLW-NXEZZACHSA-N 1 1 230.308 1.399 20 5 BDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813104201 586592380 /nfs/dbraw/zinc/59/23/80/586592380.db2.gz YABOUQXGMRJTIB-NXEZZACHSA-N 1 1 244.291 1.069 20 5 BDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813104201 586592381 /nfs/dbraw/zinc/59/23/81/586592381.db2.gz YABOUQXGMRJTIB-NXEZZACHSA-N 1 1 244.291 1.069 20 5 BDBDMO Cc1cc(Cc2noc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822862187 587189813 /nfs/dbraw/zinc/18/98/13/587189813.db2.gz ILHMDCSDFWKJRP-UHFFFAOYSA-N 1 1 248.242 1.336 20 5 BDBDMO C[C@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171279 588089315 /nfs/dbraw/zinc/08/93/15/588089315.db2.gz YEOMIFXPSQUHLC-ZETCQYMHSA-N 1 1 248.242 1.588 20 5 BDBDMO CC(C)(CCc1noc(C2([NH3+])CC2)n1)[N+](=O)[O-] ZINC000843233751 588094197 /nfs/dbraw/zinc/09/41/97/588094197.db2.gz OIWGRICVBYLVJH-UHFFFAOYSA-N 1 1 240.263 1.005 20 5 BDBDMO CC[C@H]([NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843233646 588094335 /nfs/dbraw/zinc/09/43/35/588094335.db2.gz MNBGJEUQGPOUDI-ZETCQYMHSA-N 1 1 242.279 1.467 20 5 BDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872712536 589964032 /nfs/dbraw/zinc/96/40/32/589964032.db2.gz RLSYEWBBTDFZLD-PHIMTYICSA-N 1 1 248.286 1.647 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC=C[C@@H]1CO ZINC000880483851 591056845 /nfs/dbraw/zinc/05/68/45/591056845.db2.gz JWJCYDPSVJSJEJ-LLVKDONJSA-N 1 1 234.255 1.328 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880483851 591056850 /nfs/dbraw/zinc/05/68/50/591056850.db2.gz JWJCYDPSVJSJEJ-LLVKDONJSA-N 1 1 234.255 1.328 20 5 BDBDMO Cc1c(C[N@@H+]2CC=C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880487032 591059769 /nfs/dbraw/zinc/05/97/69/591059769.db2.gz WBSAGQJWCUKAAS-GFCCVEGCSA-N 1 1 248.282 1.636 20 5 BDBDMO Cc1c(C[N@H+]2CC=C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880487032 591059773 /nfs/dbraw/zinc/05/97/73/591059773.db2.gz WBSAGQJWCUKAAS-GFCCVEGCSA-N 1 1 248.282 1.636 20 5 BDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000886284362 592199906 /nfs/dbraw/zinc/19/99/06/592199906.db2.gz UYROSZOWKIKOGD-MWLCHTKSSA-N 1 1 233.271 1.832 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000905089547 637589171 /nfs/dbraw/zinc/58/91/71/637589171.db2.gz NSBQAEZVLDDWLB-UHFFFAOYSA-N 1 1 232.642 1.845 20 5 BDBDMO COc1ccc(F)c(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905385386 637785166 /nfs/dbraw/zinc/78/51/66/637785166.db2.gz JWUPRBAKBYPRLL-UHFFFAOYSA-N 1 1 228.223 1.201 20 5 BDBDMO O=[N+]([O-])CCNC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000905387540 637786638 /nfs/dbraw/zinc/78/66/38/637786638.db2.gz AOIBOFAIBBLYTH-LBPRGKRZSA-N 1 1 241.335 1.260 20 5 BDBDMO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000905387540 637786646 /nfs/dbraw/zinc/78/66/46/637786646.db2.gz AOIBOFAIBBLYTH-LBPRGKRZSA-N 1 1 241.335 1.260 20 5 BDBDMO COc1ccc(C2([NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000930223888 639642861 /nfs/dbraw/zinc/64/28/61/639642861.db2.gz YFBKQDBQFXCZNU-UHFFFAOYSA-N 1 1 236.271 1.551 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000930290156 639682170 /nfs/dbraw/zinc/68/21/70/639682170.db2.gz IESGWFGUFCMUNB-VIFPVBQESA-N 1 1 200.282 1.774 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000930477841 639774985 /nfs/dbraw/zinc/77/49/85/639774985.db2.gz MYIYWIQFJTVFNE-LBPRGKRZSA-N 1 1 235.287 1.538 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000930663744 639851721 /nfs/dbraw/zinc/85/17/21/639851721.db2.gz MEAGHRCGNNKERX-JTQLQIEISA-N 1 1 230.333 1.482 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000931174437 640089508 /nfs/dbraw/zinc/08/95/08/640089508.db2.gz NQQRVCVSXGCGEJ-BDAKNGLRSA-N 1 1 216.306 1.233 20 5 BDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccns1 ZINC000931330881 640158952 /nfs/dbraw/zinc/15/89/52/640158952.db2.gz CYZXCQJXKLQGGS-LURJTMIESA-N 1 1 201.251 1.070 20 5 BDBDMO C[C@@H](C[N@@H+](C)CC[N+](=O)[O-])C(C)(C)C ZINC000931616515 640285140 /nfs/dbraw/zinc/28/51/40/640285140.db2.gz USXAWHIFYKODQN-VIFPVBQESA-N 1 1 202.298 1.877 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1CO ZINC000934022882 640808576 /nfs/dbraw/zinc/80/85/76/640808576.db2.gz APRXPZYTADCAKY-NXEZZACHSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]1CO ZINC000934022882 640808578 /nfs/dbraw/zinc/80/85/78/640808578.db2.gz APRXPZYTADCAKY-NXEZZACHSA-N 1 1 236.271 1.722 20 5 BDBDMO CC[N@@H+](CCc1cccs1)CC[N+](=O)[O-] ZINC000929409776 641115688 /nfs/dbraw/zinc/11/56/88/641115688.db2.gz CKHSBEGPCXIVMX-UHFFFAOYSA-N 1 1 228.317 1.889 20 5 BDBDMO Cc1[nH]c(Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000917109617 642011929 /nfs/dbraw/zinc/01/19/29/642011929.db2.gz HYVGMYCJMWXXJT-UHFFFAOYSA-N 1 1 248.242 1.145 20 5 BDBDMO CC(C)[C@@H](C)[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000917430177 642062098 /nfs/dbraw/zinc/06/20/98/642062098.db2.gz GETOFVYAWIMACB-SECBINFHSA-N 1 1 226.280 1.725 20 5 BDBDMO CC(C)[C@@H](C)[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000917430177 642062103 /nfs/dbraw/zinc/06/21/03/642062103.db2.gz GETOFVYAWIMACB-SECBINFHSA-N 1 1 226.280 1.725 20 5 BDBDMO CC(C)[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000920484118 642508806 /nfs/dbraw/zinc/50/88/06/642508806.db2.gz CDUKWFBLAHYZSZ-JTQLQIEISA-N 1 1 238.291 1.869 20 5 BDBDMO C[N@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000193371505 644235605 /nfs/dbraw/zinc/23/56/05/644235605.db2.gz SNBDUIYJSLJNKJ-UHFFFAOYSA-N 1 1 224.264 1.623 20 5 BDBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000193371505 644235606 /nfs/dbraw/zinc/23/56/06/644235606.db2.gz SNBDUIYJSLJNKJ-UHFFFAOYSA-N 1 1 224.264 1.623 20 5 BDBDMO [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000093215717 644681622 /nfs/dbraw/zinc/68/16/22/644681622.db2.gz DPPXWOVBOWINBR-VXGBXAGGSA-N 1 1 249.314 1.954 20 5 BDBDMO [NH3+][C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093214523 644682453 /nfs/dbraw/zinc/68/24/53/644682453.db2.gz BXFFISOIOKGPSW-RYUDHWBXSA-N 1 1 249.314 1.954 20 5 BDBDMO C[C@H]1[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000841689306 645224315 /nfs/dbraw/zinc/22/43/15/645224315.db2.gz IZPBMHDKBQAXRJ-OPRDCNLKSA-N 1 1 238.291 1.725 20 5 BDBDMO C[N@H+](CCc1ccccc1F)CC[N+](=O)[O-] ZINC000929616968 646200770 /nfs/dbraw/zinc/20/07/70/646200770.db2.gz LKUMAVMLCDBKPX-UHFFFAOYSA-N 1 1 226.251 1.577 20 5 BDBDMO C[N@@H+](CCc1ccccc1F)CC[N+](=O)[O-] ZINC000929616968 646200774 /nfs/dbraw/zinc/20/07/74/646200774.db2.gz LKUMAVMLCDBKPX-UHFFFAOYSA-N 1 1 226.251 1.577 20 5 BDBDMO CCOC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929644965 646219021 /nfs/dbraw/zinc/21/90/21/646219021.db2.gz YUOMSPCSYRZKMI-JTQLQIEISA-N 1 1 216.281 1.012 20 5 BDBDMO O=[N+]([O-])CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000929749756 646280670 /nfs/dbraw/zinc/28/06/70/646280670.db2.gz RSXWLFQWHZFCGZ-UHFFFAOYSA-N 1 1 226.198 1.537 20 5 BDBDMO Cc1cccc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])n1 ZINC000929849178 646358826 /nfs/dbraw/zinc/35/88/26/646358826.db2.gz SPVAGWLAUNHBEN-GFCCVEGCSA-N 1 1 235.287 1.804 20 5 BDBDMO Cc1cccc([C@H]2CCC[N@H+]2CC[N+](=O)[O-])n1 ZINC000929849178 646358828 /nfs/dbraw/zinc/35/88/28/646358828.db2.gz SPVAGWLAUNHBEN-GFCCVEGCSA-N 1 1 235.287 1.804 20 5 BDBDMO CC(C)[N@@H+](CC[N+](=O)[O-])C1CCCC1 ZINC000929956678 646378340 /nfs/dbraw/zinc/37/83/40/646378340.db2.gz KPYFFKALUFEEGW-UHFFFAOYSA-N 1 1 200.282 1.916 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712595715 712435818 /nfs/dbraw/zinc/43/58/18/712435818.db2.gz RYGREGYKPSWQNR-MRVPVSSYSA-N 1 1 222.248 1.106 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712595715 712435819 /nfs/dbraw/zinc/43/58/19/712435819.db2.gz RYGREGYKPSWQNR-MRVPVSSYSA-N 1 1 222.248 1.106 20 5 BDBDMO C[N@@H+]1CC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000712619678 712438574 /nfs/dbraw/zinc/43/85/74/712438574.db2.gz YZGCGAGLSLJRFA-MRVPVSSYSA-N 1 1 239.250 1.850 20 5 BDBDMO C[N@H+]1CC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000712619678 712438575 /nfs/dbraw/zinc/43/85/75/712438575.db2.gz YZGCGAGLSLJRFA-MRVPVSSYSA-N 1 1 239.250 1.850 20 5 BDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C ZINC000712618203 712438801 /nfs/dbraw/zinc/43/88/01/712438801.db2.gz VMJBLKDDPBKTKC-SECBINFHSA-N 1 1 236.275 1.414 20 5 BDBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1C ZINC000719570967 712810619 /nfs/dbraw/zinc/81/06/19/712810619.db2.gz FJOJTNOCKDIULW-SCZZXKLOSA-N 1 1 236.275 1.494 20 5 BDBDMO C[C@@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719580358 712812247 /nfs/dbraw/zinc/81/22/47/712812247.db2.gz RKNNVJLPBIWBPU-BDAKNGLRSA-N 1 1 236.275 1.494 20 5 BDBDMO C[C@@H]1[C@H](NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719604333 712816132 /nfs/dbraw/zinc/81/61/32/712816132.db2.gz UUUDAXZAUGDMCN-ZYHUDNBSSA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@@H]1[C@H](NCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719604333 712816134 /nfs/dbraw/zinc/81/61/34/712816134.db2.gz UUUDAXZAUGDMCN-ZYHUDNBSSA-N 1 1 249.314 1.777 20 5 BDBDMO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226709227 963308846 /nfs/dbraw/zinc/30/88/46/963308846.db2.gz GOSGQUHOBRUBRR-SECBINFHSA-N 1 1 223.232 1.073 20 5 BDBDMO CN(C)CCC[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005245 969328540 /nfs/dbraw/zinc/32/85/40/969328540.db2.gz AABYFPWVSGSUII-NWDGAFQWSA-N 1 1 243.351 1.315 20 5 BDBDMO CN(C)CCC[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005245 969328547 /nfs/dbraw/zinc/32/85/47/969328547.db2.gz AABYFPWVSGSUII-NWDGAFQWSA-N 1 1 243.351 1.315 20 5 BDBDMO Cc1ccnc(N2CC3(C2)C[NH+](C)C3)c1[N+](=O)[O-] ZINC001158863515 971537114 /nfs/dbraw/zinc/53/71/14/971537114.db2.gz CFVIXDLWABQXNG-UHFFFAOYSA-N 1 1 248.286 1.050 20 5 BDBDMO C[NH2+][C@H]1CCN1c1ncc([N+](=O)[O-])cc1C ZINC001156638923 963420413 /nfs/dbraw/zinc/42/04/13/963420413.db2.gz NSXARPMYNUOJSV-SECBINFHSA-N 1 1 222.248 1.054 20 5 BDBDMO C[NH2+][C@H]1CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC001156638145 963422102 /nfs/dbraw/zinc/42/21/02/963422102.db2.gz JMQBZCAJHQECTL-SECBINFHSA-N 1 1 222.248 1.054 20 5 BDBDMO C[N@@H+]1CCc2c(N)ccc([N+](=O)[O-])c2C1 ZINC001161700117 964697028 /nfs/dbraw/zinc/69/70/28/964697028.db2.gz DNYODPKPLAWRCG-UHFFFAOYSA-N 1 1 207.233 1.165 20 5 BDBDMO C[N@H+]1CCc2c(N)ccc([N+](=O)[O-])c2C1 ZINC001161700117 964697035 /nfs/dbraw/zinc/69/70/35/964697035.db2.gz DNYODPKPLAWRCG-UHFFFAOYSA-N 1 1 207.233 1.165 20 5 BDBDMO COC[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010141 969336745 /nfs/dbraw/zinc/33/67/45/969336745.db2.gz BLTDNKVWQOLNPI-QJPTWQEYSA-N 1 1 242.319 1.400 20 5 BDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169012479 969340344 /nfs/dbraw/zinc/34/03/44/969340344.db2.gz QNGUXXXVWGNDSO-KXNHARMFSA-N 1 1 242.319 1.277 20 5 BDBDMO C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033941 969350991 /nfs/dbraw/zinc/35/09/91/969350991.db2.gz DVIKJJUTHFWSSK-WRWGMCAJSA-N 1 1 242.319 1.277 20 5 BDBDMO C[N@@H+](CC1COC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033281 969354589 /nfs/dbraw/zinc/35/45/89/969354589.db2.gz BRRHHUMGOALIBB-KOLCDFICSA-N 1 1 228.292 1.010 20 5 BDBDMO C[C@H]1CC(=O)CC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038550 969357643 /nfs/dbraw/zinc/35/76/43/969357643.db2.gz ZKNAVUONWRUHHP-HBNTYKKESA-N 1 1 240.303 1.485 20 5 BDBDMO COC[C@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169041614 969357657 /nfs/dbraw/zinc/35/76/57/969357657.db2.gz BLTDNKVWQOLNPI-WOPDTQHZSA-N 1 1 242.319 1.400 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCOCC23CC3)C1 ZINC001169040057 969357857 /nfs/dbraw/zinc/35/78/57/969357857.db2.gz XHCYDSOFLSBIBC-WDEREUQCSA-N 1 1 240.303 1.297 20 5 BDBDMO CC[C@@H]1COCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039138 969358490 /nfs/dbraw/zinc/35/84/90/969358490.db2.gz NMWRUSJMLYYSNN-UTUOFQBUSA-N 1 1 242.319 1.543 20 5 BDBDMO CSCC[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169048196 969366108 /nfs/dbraw/zinc/36/61/08/969366108.db2.gz SYTPPPUJWGYNKA-VHSXEESVSA-N 1 1 232.349 1.727 20 5 BDBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225629648 974604308 /nfs/dbraw/zinc/60/43/08/974604308.db2.gz YVYIHSARBFAAEC-VIFPVBQESA-N 1 1 223.232 1.073 20 5 BDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CN)CC1 ZINC001173229320 975074305 /nfs/dbraw/zinc/07/43/05/975074305.db2.gz MUDRFBGKULWMCI-JTQLQIEISA-N 1 1 249.314 1.607 20 5 BDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC001332850514 975294929 /nfs/dbraw/zinc/29/49/29/975294929.db2.gz XRIRPGHQSMSTST-MXWKQRLJSA-N 1 1 212.293 1.774 20 5 BDBDMO CC[N@H+]1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880022 976548256 /nfs/dbraw/zinc/54/82/56/976548256.db2.gz PEWPLCCKVJXZSL-SECBINFHSA-N 1 1 237.259 1.463 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001334604948 976566565 /nfs/dbraw/zinc/56/65/65/976566565.db2.gz WBRUHXNWCWMOAK-ZDUSSCGKSA-N 1 1 234.299 1.828 20 5 BDBDMO C[C@H]1CN(CC[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001197808963 982595504 /nfs/dbraw/zinc/59/55/04/982595504.db2.gz NYQXWYIRZZRZGT-NSHDSACASA-N 1 1 241.335 1.212 20 5 BDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCO ZINC001246913945 988703648 /nfs/dbraw/zinc/70/36/48/988703648.db2.gz RINCFNMGOVJYLB-JTQLQIEISA-N 1 1 238.287 1.450 20 5 BDBDMO C[C@H]1CC[C@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC001119805216 989415122 /nfs/dbraw/zinc/41/51/22/989415122.db2.gz GVJKIHQPJBOJJI-QWRGUYRKSA-N 1 1 212.293 1.775 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC001119825348 989429678 /nfs/dbraw/zinc/42/96/78/989429678.db2.gz PIXKSVOTFWNCMH-NSHDSACASA-N 1 1 228.292 1.154 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC001119825348 989429689 /nfs/dbraw/zinc/42/96/89/989429689.db2.gz PIXKSVOTFWNCMH-NSHDSACASA-N 1 1 228.292 1.154 20 5 BDBDMO Cn1c[nH+]cc1CCNc1ncccc1[N+](=O)[O-] ZINC000302126784 398174836 /nfs/dbraw/zinc/17/48/36/398174836.db2.gz FWOLONJPWBFFTF-UHFFFAOYSA-N 1 1 247.258 1.378 20 5 BDBDMO C[C@@H]([NH3+])C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000521993113 398306940 /nfs/dbraw/zinc/30/69/40/398306940.db2.gz CZPMIKDNXWWQOO-ZJUUUORDSA-N 1 1 237.303 1.810 20 5 BDBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000505351949 529820835 /nfs/dbraw/zinc/82/08/35/529820835.db2.gz VMWVFLYRQZRTNU-XQRVVYSFSA-N 1 1 236.271 1.532 20 5 BDBDMO C[C@H](C1CC1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218094 344382787 /nfs/dbraw/zinc/38/27/87/344382787.db2.gz IPEPBMSHIDJTLZ-SECBINFHSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603095934 344435393 /nfs/dbraw/zinc/43/53/93/344435393.db2.gz YQIJZSWAVKAQGI-CDMKHQONSA-N 1 1 248.282 1.722 20 5 BDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000590761988 347526467 /nfs/dbraw/zinc/52/64/67/347526467.db2.gz XLZZWVWXHWQAIV-BXKDBHETSA-N 1 1 236.271 1.550 20 5 BDBDMO C[N@H+]1CC[C@@H]2CN(c3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000590719074 347500727 /nfs/dbraw/zinc/50/07/27/347500727.db2.gz NXOZJYRKOVFNRN-SKDRFNHKSA-N 1 1 248.286 1.130 20 5 BDBDMO Cc1noc(C[N@H+](C)CC2CC2)c1[N+](=O)[O-] ZINC000595299082 348217733 /nfs/dbraw/zinc/21/77/33/348217733.db2.gz URRVGGWGKGYBLP-UHFFFAOYSA-N 1 1 225.248 1.733 20 5 BDBDMO Cc1noc(C[N@@H+](C)CC2CC2)c1[N+](=O)[O-] ZINC000595299082 348217737 /nfs/dbraw/zinc/21/77/37/348217737.db2.gz URRVGGWGKGYBLP-UHFFFAOYSA-N 1 1 225.248 1.733 20 5 BDBDMO Cc1nn(CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000596269051 348480837 /nfs/dbraw/zinc/48/08/37/348480837.db2.gz DMIYASDNCYNRBN-UHFFFAOYSA-N 1 1 235.247 1.076 20 5 BDBDMO Cc1[nH+]ccn1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037340637 180232956 /nfs/dbraw/zinc/23/29/56/180232956.db2.gz SDQNOFICLCGYFJ-UHFFFAOYSA-N 1 1 245.238 1.983 20 5 BDBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293427390 351019053 /nfs/dbraw/zinc/01/90/53/351019053.db2.gz NODQBXKNRHIBBF-JTQLQIEISA-N 1 1 238.287 1.798 20 5 BDBDMO CC(C)[N@@H+](C)CCNc1ccncc1[N+](=O)[O-] ZINC000054128395 359398168 /nfs/dbraw/zinc/39/81/68/359398168.db2.gz OHFMBAVIEBZORC-UHFFFAOYSA-N 1 1 238.291 1.742 20 5 BDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000578887087 366669400 /nfs/dbraw/zinc/66/94/00/366669400.db2.gz JBTRRBUKPGPZNB-UHFFFAOYSA-N 1 1 226.280 1.522 20 5 BDBDMO C[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037899263 371290205 /nfs/dbraw/zinc/29/02/05/371290205.db2.gz HPMJBVMXQJBRDT-UHFFFAOYSA-N 1 1 244.678 1.672 20 5 BDBDMO CC[C@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439694 371803652 /nfs/dbraw/zinc/80/36/52/371803652.db2.gz LCBYDOABRZYFST-QMMMGPOBSA-N 1 1 226.280 1.559 20 5 BDBDMO CCC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602440627 371806662 /nfs/dbraw/zinc/80/66/62/371806662.db2.gz QPUGUUSGDXKUJC-SECBINFHSA-N 1 1 240.307 1.949 20 5 BDBDMO CC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602798990 371840969 /nfs/dbraw/zinc/84/09/69/371840969.db2.gz IDJMDNKRZTVESP-VIFPVBQESA-N 1 1 222.244 1.834 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000050113928 383911525 /nfs/dbraw/zinc/91/15/25/383911525.db2.gz KWXQVRVJFDDMAX-GFCCVEGCSA-N 1 1 236.271 1.552 20 5 BDBDMO CCCc1[nH+]ccn1Cc1c([N+](=O)[O-])ncn1C ZINC000339689326 384006671 /nfs/dbraw/zinc/00/66/71/384006671.db2.gz OGBUTTSTGOWWOQ-UHFFFAOYSA-N 1 1 249.274 1.526 20 5 BDBDMO CCCC[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000176205153 384468360 /nfs/dbraw/zinc/46/83/60/384468360.db2.gz SNRIZOPZXGFJRZ-UHFFFAOYSA-N 1 1 240.307 1.913 20 5 BDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000176243202 384495326 /nfs/dbraw/zinc/49/53/26/384495326.db2.gz NIARPIVSRMCVGK-UHFFFAOYSA-N 1 1 238.291 1.523 20 5 BDBDMO CC[N@@H+](CCO)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000268025946 386771541 /nfs/dbraw/zinc/77/15/41/386771541.db2.gz SUNIMOKOBPQDDQ-JTQLQIEISA-N 1 1 238.287 1.970 20 5 BDBDMO CC(C)[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000267628891 387026755 /nfs/dbraw/zinc/02/67/55/387026755.db2.gz YTWKUVLJXORMKX-UHFFFAOYSA-N 1 1 244.316 1.859 20 5 BDBDMO CC(C)[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000267628891 387026758 /nfs/dbraw/zinc/02/67/58/387026758.db2.gz YTWKUVLJXORMKX-UHFFFAOYSA-N 1 1 244.316 1.859 20 5 BDBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)CC[NH3+] ZINC000414898318 387595445 /nfs/dbraw/zinc/59/54/45/387595445.db2.gz SSOGEWGXAPVSBC-SNVBAGLBSA-N 1 1 237.303 1.730 20 5 BDBDMO CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000353840897 388373905 /nfs/dbraw/zinc/37/39/05/388373905.db2.gz CPBCIFPJYSDKCC-GFCCVEGCSA-N 1 1 236.271 1.816 20 5 BDBDMO CNCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423234992 388689808 /nfs/dbraw/zinc/68/98/08/388689808.db2.gz AFVDPPCYDSUHHX-SNVBAGLBSA-N 1 1 237.303 1.335 20 5 BDBDMO C[N@H+]1CCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000218041752 134251577 /nfs/dbraw/zinc/25/15/77/134251577.db2.gz UXUWPCGBEKORFK-SECBINFHSA-N 1 1 236.275 1.496 20 5 BDBDMO C[N@H+]1CC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000037647734 173147950 /nfs/dbraw/zinc/14/79/50/173147950.db2.gz HYHZYNZTYYMIOG-SECBINFHSA-N 1 1 236.275 1.353 20 5 BDBDMO C[N@@H+]1C[C@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000278845450 173200401 /nfs/dbraw/zinc/20/04/01/173200401.db2.gz WUAQFIWPHQBFPX-PHIMTYICSA-N 1 1 247.298 1.593 20 5 BDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000563080396 323088010 /nfs/dbraw/zinc/08/80/10/323088010.db2.gz FBTGNMIREXDTJH-UHFFFAOYSA-N 1 1 226.280 1.522 20 5 BDBDMO C[N@H+](C[C@H]1CC1(C)C)Cn1nccc1[N+](=O)[O-] ZINC000853628251 588751164 /nfs/dbraw/zinc/75/11/64/588751164.db2.gz QPSLIRNVYWIBGU-SECBINFHSA-N 1 1 238.291 1.727 20 5 BDBDMO C[N@@H+](C[C@H]1CC1(C)C)Cn1nccc1[N+](=O)[O-] ZINC000853628251 588751165 /nfs/dbraw/zinc/75/11/65/588751165.db2.gz QPSLIRNVYWIBGU-SECBINFHSA-N 1 1 238.291 1.727 20 5 BDBDMO CC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000727825376 583779604 /nfs/dbraw/zinc/77/96/04/583779604.db2.gz PMWMQJXFAKADOM-VIFPVBQESA-N 1 1 224.264 1.623 20 5 BDBDMO CC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000727825376 583779605 /nfs/dbraw/zinc/77/96/05/583779605.db2.gz PMWMQJXFAKADOM-VIFPVBQESA-N 1 1 224.264 1.623 20 5 BDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000899876898 584245137 /nfs/dbraw/zinc/24/51/37/584245137.db2.gz VLQGZGVAEGJMDD-UHFFFAOYSA-N 1 1 216.187 1.331 20 5 BDBDMO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000761076104 584908871 /nfs/dbraw/zinc/90/88/71/584908871.db2.gz HWNSWHRWBVPBLQ-NSHDSACASA-N 1 1 249.314 1.731 20 5 BDBDMO C[N@H+](Cn1nccc1[N+](=O)[O-])CC(C)(C)C ZINC000738097757 585040849 /nfs/dbraw/zinc/04/08/49/585040849.db2.gz FDBWVTQPDNVCJY-UHFFFAOYSA-N 1 1 226.280 1.727 20 5 BDBDMO C[N@@H+](Cn1nccc1[N+](=O)[O-])CC(C)(C)C ZINC000738097757 585040850 /nfs/dbraw/zinc/04/08/50/585040850.db2.gz FDBWVTQPDNVCJY-UHFFFAOYSA-N 1 1 226.280 1.727 20 5 BDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000761098945 585409241 /nfs/dbraw/zinc/40/92/41/585409241.db2.gz XEANUIGTBHDPDN-ZWKOPEQDSA-N 1 1 248.282 1.722 20 5 BDBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CC[N+](=O)[O-] ZINC000787736122 585915059 /nfs/dbraw/zinc/91/50/59/585915059.db2.gz ILQNLGLDNOEBMW-NSHDSACASA-N 1 1 230.308 1.136 20 5 BDBDMO CCSCC[C@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000798197246 586140199 /nfs/dbraw/zinc/14/01/99/586140199.db2.gz PWWUGCQOFFRKNZ-VIFPVBQESA-N 1 1 220.338 1.727 20 5 BDBDMO Cc1c(-c2noc([C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843237431 588094795 /nfs/dbraw/zinc/09/47/95/588094795.db2.gz AMURWPZMZMQQIP-ZETCQYMHSA-N 1 1 248.242 1.973 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC=C[C@H]1CO ZINC000880483852 591056980 /nfs/dbraw/zinc/05/69/80/591056980.db2.gz JWJCYDPSVJSJEJ-NSHDSACASA-N 1 1 234.255 1.328 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC=C[C@H]1CO ZINC000880483852 591056984 /nfs/dbraw/zinc/05/69/84/591056984.db2.gz JWJCYDPSVJSJEJ-NSHDSACASA-N 1 1 234.255 1.328 20 5 BDBDMO C[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135507535 592015283 /nfs/dbraw/zinc/01/52/83/592015283.db2.gz ACNPDGKAIIQPPK-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135507535 592015284 /nfs/dbraw/zinc/01/52/84/592015284.db2.gz ACNPDGKAIIQPPK-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO [NH3+][C@H]1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000093215866 636087609 /nfs/dbraw/zinc/08/76/09/636087609.db2.gz JKACJQIPAZOZPO-RYUDHWBXSA-N 1 1 249.314 1.954 20 5 BDBDMO CO[C@H]1CC[N@@H+](CC[N+](=O)[O-])CC1(C)C ZINC000930643293 633973688 /nfs/dbraw/zinc/97/36/88/633973688.db2.gz UICFLVKPHIGHKZ-VIFPVBQESA-N 1 1 216.281 1.010 20 5 BDBDMO CCCC[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000123450492 634239876 /nfs/dbraw/zinc/23/98/76/634239876.db2.gz ZFYJFPOLKUCTTA-UHFFFAOYSA-N 1 1 212.253 1.481 20 5 BDBDMO CCCC[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000123450492 634239882 /nfs/dbraw/zinc/23/98/82/634239882.db2.gz ZFYJFPOLKUCTTA-UHFFFAOYSA-N 1 1 212.253 1.481 20 5 BDBDMO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000089150560 636411916 /nfs/dbraw/zinc/41/19/16/636411916.db2.gz OEXQERQRWKFIIZ-AAEUAGOBSA-N 1 1 249.314 1.812 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@@H]1COCc2ccccc21 ZINC000905293721 637725667 /nfs/dbraw/zinc/72/56/67/637725667.db2.gz XOZUTYMDOZHRFL-LLVKDONJSA-N 1 1 222.244 1.124 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000905601496 637852049 /nfs/dbraw/zinc/85/20/49/637852049.db2.gz HLWRAWLVOJHVAB-SNVBAGLBSA-N 1 1 221.260 1.325 20 5 BDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000930207891 639637561 /nfs/dbraw/zinc/63/75/61/639637561.db2.gz HHYWVQURCBOXCZ-MRVPVSSYSA-N 1 1 239.231 1.522 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000930714335 639875494 /nfs/dbraw/zinc/87/54/94/639875494.db2.gz DENPJCLBBWVANX-NWDGAFQWSA-N 1 1 236.271 1.071 20 5 BDBDMO CC(C)O[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930850836 639945699 /nfs/dbraw/zinc/94/56/99/639945699.db2.gz WOSRYXROGILKOR-JTQLQIEISA-N 1 1 216.281 1.153 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](CCF)C1 ZINC000931015600 640020565 /nfs/dbraw/zinc/02/05/65/640020565.db2.gz RGHSFDAFIJTRFS-SECBINFHSA-N 1 1 204.245 1.335 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000931059680 640048922 /nfs/dbraw/zinc/04/89/22/640048922.db2.gz OCFQNDADXWTATJ-LLVKDONJSA-N 1 1 212.293 1.775 20 5 BDBDMO C[C@@H]1c2sccc2CC[N@H+]1CC[N+](=O)[O-] ZINC000931695604 640321581 /nfs/dbraw/zinc/32/15/81/640321581.db2.gz UBIWDZMBGOLEHU-MRVPVSSYSA-N 1 1 226.301 1.944 20 5 BDBDMO C[C@@H]1c2sccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000931695604 640321585 /nfs/dbraw/zinc/32/15/85/640321585.db2.gz UBIWDZMBGOLEHU-MRVPVSSYSA-N 1 1 226.301 1.944 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932887312 640640735 /nfs/dbraw/zinc/64/07/35/640640735.db2.gz OGATXNXUBCVOJZ-VXGBXAGGSA-N 1 1 224.304 1.774 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913652 640788774 /nfs/dbraw/zinc/78/87/74/640788774.db2.gz UUXLVMPETKLDCG-SNVBAGLBSA-N 1 1 230.333 1.481 20 5 BDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1CO ZINC000934022884 640809478 /nfs/dbraw/zinc/80/94/78/640809478.db2.gz APRXPZYTADCAKY-VHSXEESVSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]1CO ZINC000934022884 640809481 /nfs/dbraw/zinc/80/94/81/640809481.db2.gz APRXPZYTADCAKY-VHSXEESVSA-N 1 1 236.271 1.722 20 5 BDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000928568977 645830159 /nfs/dbraw/zinc/83/01/59/645830159.db2.gz RQGIZGZXOGTBLX-VIFPVBQESA-N 1 1 249.270 1.029 20 5 BDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000928568977 645830164 /nfs/dbraw/zinc/83/01/64/645830164.db2.gz RQGIZGZXOGTBLX-VIFPVBQESA-N 1 1 249.270 1.029 20 5 BDBDMO C[C@@H](O)C[N@@H+](CC[N+](=O)[O-])C1CCCCC1 ZINC000929528677 646174775 /nfs/dbraw/zinc/17/47/75/646174775.db2.gz FKFXCQPCTRZDRR-SNVBAGLBSA-N 1 1 230.308 1.279 20 5 BDBDMO CC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000929667468 646231714 /nfs/dbraw/zinc/23/17/14/646231714.db2.gz KPFFOTQWNCLZSE-JTQLQIEISA-N 1 1 200.282 1.775 20 5 BDBDMO CC[C@H]1CCCCC[N@H+]1CC[N+](=O)[O-] ZINC000929694890 646244179 /nfs/dbraw/zinc/24/41/79/646244179.db2.gz DEBCEUYJONAFJM-JTQLQIEISA-N 1 1 200.282 1.918 20 5 BDBDMO CC(C)OCCC[N@@H+](C)CC[N+](=O)[O-] ZINC000929694465 646249625 /nfs/dbraw/zinc/24/96/25/646249625.db2.gz IPEZLWOVIYDKRP-UHFFFAOYSA-N 1 1 204.270 1.010 20 5 BDBDMO O=[N+]([O-])CC[N@@H+](CCCO)Cc1ccccc1 ZINC000929854655 646360797 /nfs/dbraw/zinc/36/07/97/646360797.db2.gz NRXFVYUZTKGHCK-UHFFFAOYSA-N 1 1 238.287 1.148 20 5 BDBDMO O=[N+]([O-])CC[N@H+](CCCO)Cc1ccccc1 ZINC000929854655 646360803 /nfs/dbraw/zinc/36/08/03/646360803.db2.gz NRXFVYUZTKGHCK-UHFFFAOYSA-N 1 1 238.287 1.148 20 5 BDBDMO CC(C)CC[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000068960970 711890079 /nfs/dbraw/zinc/89/00/79/711890079.db2.gz BGMSUSWCKIPIBH-UHFFFAOYSA-N 1 1 226.280 1.727 20 5 BDBDMO CC(C)CC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000068960970 711890081 /nfs/dbraw/zinc/89/00/81/711890081.db2.gz BGMSUSWCKIPIBH-UHFFFAOYSA-N 1 1 226.280 1.727 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000712597191 712435870 /nfs/dbraw/zinc/43/58/70/712435870.db2.gz WZOQMFMYHBNARM-VIFPVBQESA-N 1 1 221.260 1.711 20 5 BDBDMO CC[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000712568737 712446937 /nfs/dbraw/zinc/44/69/37/712446937.db2.gz FGMWUBNXINESDO-SSDOTTSWSA-N 1 1 242.304 1.557 20 5 BDBDMO CC[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000712568737 712446938 /nfs/dbraw/zinc/44/69/38/712446938.db2.gz FGMWUBNXINESDO-SSDOTTSWSA-N 1 1 242.304 1.557 20 5 BDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169012480 969338887 /nfs/dbraw/zinc/33/88/87/969338887.db2.gz QNGUXXXVWGNDSO-NOOOWODRSA-N 1 1 242.319 1.277 20 5 BDBDMO CO[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011069 969338390 /nfs/dbraw/zinc/33/83/90/969338390.db2.gz HZWFFJUTNIFJHC-XWLWVQCSSA-N 1 1 246.282 1.101 20 5 BDBDMO C[C@H]1CC[C@@H](CO)[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013977 969342455 /nfs/dbraw/zinc/34/24/55/969342455.db2.gz XDYACHFBLPNWCV-YFKTTZPYSA-N 1 1 242.319 1.277 20 5 BDBDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)CO1 ZINC001169035863 969355835 /nfs/dbraw/zinc/35/58/35/969355835.db2.gz DOSKTSLADQMSIV-DDHJBXDOSA-N 1 1 242.319 1.541 20 5 BDBDMO Cc1ccc(C[N@H+](CCO)CC[N+](=O)[O-])cc1 ZINC001335744079 977259046 /nfs/dbraw/zinc/25/90/46/977259046.db2.gz CWBCMJGHWYLTMN-UHFFFAOYSA-N 1 1 238.287 1.066 20 5 BDBDMO Cc1ccc(C[N@@H+](CCO)CC[N+](=O)[O-])cc1 ZINC001335744079 977259058 /nfs/dbraw/zinc/25/90/58/977259058.db2.gz CWBCMJGHWYLTMN-UHFFFAOYSA-N 1 1 238.287 1.066 20 5 BDBDMO 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/nfs/dbraw/zinc/84/85/23/582848523.db2.gz HIPJZQMTRRWQFN-MRVPVSSYSA-N 1 1 210.237 1.091 20 5 BDBDMO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000725777659 582848525 /nfs/dbraw/zinc/84/85/25/582848525.db2.gz HIPJZQMTRRWQFN-MRVPVSSYSA-N 1 1 210.237 1.091 20 5 BDBDMO C[N@H+]1C[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893940409 583255207 /nfs/dbraw/zinc/25/52/07/583255207.db2.gz OHWMBLKFPAERRD-MWLCHTKSSA-N 1 1 248.286 1.130 20 5 BDBDMO O=[N+]([O-])c1ccccc1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894994427 583564230 /nfs/dbraw/zinc/56/42/30/583564230.db2.gz BTCNYARLMUMGTI-VIFPVBQESA-N 1 1 244.254 1.828 20 5 BDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728559839 583897551 /nfs/dbraw/zinc/89/75/51/583897551.db2.gz LIDBQOJBGXIXFD-SNVBAGLBSA-N 1 1 236.275 1.623 20 5 BDBDMO COc1cccc(C[NH2+]CC[N+](=O)[O-])c1OC ZINC000899870488 584244518 /nfs/dbraw/zinc/24/45/18/584244518.db2.gz HQBFPLRPVIXXPV-UHFFFAOYSA-N 1 1 240.259 1.070 20 5 BDBDMO O=[N+]([O-])CC[NH+]1CC(CC2CCOCC2)C1 ZINC000899892020 584248847 /nfs/dbraw/zinc/24/88/47/584248847.db2.gz HMOQZAMGCZDJAO-UHFFFAOYSA-N 1 1 228.292 1.012 20 5 BDBDMO CC(C)C[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000744152010 585144721 /nfs/dbraw/zinc/14/47/21/585144721.db2.gz SURZTZRTUKQISJ-UHFFFAOYSA-N 1 1 212.253 1.337 20 5 BDBDMO CC(C)C[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000744152010 585144722 /nfs/dbraw/zinc/14/47/22/585144722.db2.gz SURZTZRTUKQISJ-UHFFFAOYSA-N 1 1 212.253 1.337 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782611388 585822167 /nfs/dbraw/zinc/82/21/67/585822167.db2.gz CQZFOEHMONUFMK-YPMHNXCESA-N 1 1 248.282 1.409 20 5 BDBDMO C[N@H+]1CCN(CC[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000791055158 585973301 /nfs/dbraw/zinc/97/33/01/585973301.db2.gz PZWWNTXELZQDIW-CYBMUJFWSA-N 1 1 249.314 1.252 20 5 BDBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC[N+](=O)[O-] ZINC000798198022 586140434 /nfs/dbraw/zinc/14/04/34/586140434.db2.gz XYECIZFGEBOKAT-NXEZZACHSA-N 1 1 200.282 1.774 20 5 BDBDMO C[C@@H]([NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843235052 588094809 /nfs/dbraw/zinc/09/48/09/588094809.db2.gz YMJGZBNSMDQURV-ZCFIWIBFSA-N 1 1 228.252 1.077 20 5 BDBDMO Cc1c(-c2noc([C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843237430 588095111 /nfs/dbraw/zinc/09/51/11/588095111.db2.gz AMURWPZMZMQQIP-SSDOTTSWSA-N 1 1 248.242 1.973 20 5 BDBDMO Cc1noc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000851877020 588638525 /nfs/dbraw/zinc/63/85/25/588638525.db2.gz BLLCKDSAKLEFSX-SFYZADRCSA-N 1 1 223.232 1.485 20 5 BDBDMO Cc1noc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000851877020 588638526 /nfs/dbraw/zinc/63/85/26/588638526.db2.gz BLLCKDSAKLEFSX-SFYZADRCSA-N 1 1 223.232 1.485 20 5 BDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCO ZINC000876526110 590208176 /nfs/dbraw/zinc/20/81/76/590208176.db2.gz SQWKVSSWXGNDLZ-UHFFFAOYSA-N 1 1 238.287 1.636 20 5 BDBDMO C[C@H](CO)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135507555 592015597 /nfs/dbraw/zinc/01/55/97/592015597.db2.gz ACNPDGKAIIQPPK-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@H](CO)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135507555 592015601 /nfs/dbraw/zinc/01/56/01/592015601.db2.gz ACNPDGKAIIQPPK-MRVPVSSYSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@@H](O)CC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886021612 592133698 /nfs/dbraw/zinc/13/36/98/592133698.db2.gz ZCIKCYGZSQBEKP-SECBINFHSA-N 1 1 239.275 1.193 20 5 BDBDMO C[C@@H](O)CC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886021612 592133699 /nfs/dbraw/zinc/13/36/99/592133699.db2.gz ZCIKCYGZSQBEKP-SECBINFHSA-N 1 1 239.275 1.193 20 5 BDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC2(COC2)C1 ZINC000886285837 592199919 /nfs/dbraw/zinc/19/99/19/592199919.db2.gz UACMGSNZMJVBFS-UHFFFAOYSA-N 1 1 249.270 1.212 20 5 BDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC2(COC2)C1 ZINC000886285837 592199920 /nfs/dbraw/zinc/19/99/20/592199920.db2.gz UACMGSNZMJVBFS-UHFFFAOYSA-N 1 1 249.270 1.212 20 5 BDBDMO CC12CC(C1)C[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886289069 592200932 /nfs/dbraw/zinc/20/09/32/592200932.db2.gz MWXJXKDTJFTBMH-UHFFFAOYSA-N 1 1 233.271 1.974 20 5 BDBDMO C[C@H]([NH2+][C@H]1CNOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925872162 635587760 /nfs/dbraw/zinc/58/77/60/635587760.db2.gz AGNIXWPMIHJUBM-WPRPVWTQSA-N 1 1 237.259 1.149 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]1CO ZINC000934019624 631617392 /nfs/dbraw/zinc/61/73/92/631617392.db2.gz REGRKVGPNAMHIC-JTQLQIEISA-N 1 1 222.244 1.161 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]1CO ZINC000934019624 631617395 /nfs/dbraw/zinc/61/73/95/631617395.db2.gz REGRKVGPNAMHIC-JTQLQIEISA-N 1 1 222.244 1.161 20 5 BDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]1CO ZINC000934033126 631632816 /nfs/dbraw/zinc/63/28/16/631632816.db2.gz ZQCFQOJJPPOBSY-CABZTGNLSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]1CO ZINC000934033126 631632819 /nfs/dbraw/zinc/63/28/19/631632819.db2.gz ZQCFQOJJPPOBSY-CABZTGNLSA-N 1 1 236.271 1.722 20 5 BDBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000046477769 631710972 /nfs/dbraw/zinc/71/09/72/631710972.db2.gz HZNYLAWBEVJEKB-UHFFFAOYSA-N 1 1 246.270 1.996 20 5 BDBDMO C[C@H](O)C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051837828 631961288 /nfs/dbraw/zinc/96/12/88/631961288.db2.gz MALPQVDEQKYAKH-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO C[C@H](O)C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051837828 631961304 /nfs/dbraw/zinc/96/13/04/631961304.db2.gz MALPQVDEQKYAKH-QMMMGPOBSA-N 1 1 242.250 1.547 20 5 BDBDMO C[N@H+](CCC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000162845969 635144481 /nfs/dbraw/zinc/14/44/81/635144481.db2.gz KUJLFNNKNZDLIX-UHFFFAOYSA-N 1 1 224.264 1.481 20 5 BDBDMO C[N@@H+](CCC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000162845969 635144486 /nfs/dbraw/zinc/14/44/86/635144486.db2.gz KUJLFNNKNZDLIX-UHFFFAOYSA-N 1 1 224.264 1.481 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2occc21 ZINC000905039326 637559060 /nfs/dbraw/zinc/55/90/60/637559060.db2.gz FYRSVPKFMHKMJC-SECBINFHSA-N 1 1 210.233 1.523 20 5 BDBDMO CC(C)(C[NH2+]CC[N+](=O)[O-])N1CCCCC1 ZINC000905022760 637572481 /nfs/dbraw/zinc/57/24/81/637572481.db2.gz FMVQGZZFDOBALL-UHFFFAOYSA-N 1 1 229.324 1.117 20 5 BDBDMO O=[N+]([O-])CC[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000905105152 637614017 /nfs/dbraw/zinc/61/40/17/637614017.db2.gz IDSNPDFEGVDSOQ-JTQLQIEISA-N 1 1 240.234 1.516 20 5 BDBDMO Cc1cc(Cl)nc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905246432 637706884 /nfs/dbraw/zinc/70/68/84/637706884.db2.gz HUZRBPNEZQFYPI-UHFFFAOYSA-N 1 1 229.667 1.410 20 5 BDBDMO Cc1cnc(C[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000905578604 637853958 /nfs/dbraw/zinc/85/39/58/637853958.db2.gz JDNHWXDHGMRXQR-UHFFFAOYSA-N 1 1 209.249 1.065 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000930554504 639810404 /nfs/dbraw/zinc/81/04/04/639810404.db2.gz IPOFINAPCMWTCI-LLVKDONJSA-N 1 1 228.292 1.012 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCCc2ccccc2CC1 ZINC000930648660 639842577 /nfs/dbraw/zinc/84/25/77/639842577.db2.gz WZWDMPQXIBPPBA-UHFFFAOYSA-N 1 1 234.299 1.754 20 5 BDBDMO O=[N+]([O-])CC[NH+]1CCC(c2ncco2)CC1 ZINC000931442471 640200481 /nfs/dbraw/zinc/20/04/81/640200481.db2.gz IECNNHICZXXNIO-UHFFFAOYSA-N 1 1 225.248 1.131 20 5 BDBDMO O=[N+]([O-])c1ccccc1CN1CCn2cc[nH+]c21 ZINC000931520659 640253562 /nfs/dbraw/zinc/25/35/62/640253562.db2.gz PAHCNSMQFDCEJV-UHFFFAOYSA-N 1 1 244.254 1.812 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933089781 640667354 /nfs/dbraw/zinc/66/73/54/640667354.db2.gz WKKPOZIVTMFELU-GFCCVEGCSA-N 1 1 242.319 1.402 20 5 BDBDMO Cc1ccc(C[N@@H+]2CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000934015126 640808318 /nfs/dbraw/zinc/80/83/18/640808318.db2.gz MYCZSZVOIMDLEE-NSHDSACASA-N 1 1 236.271 1.470 20 5 BDBDMO Cc1ccc(C[N@H+]2CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000934015126 640808322 /nfs/dbraw/zinc/80/83/22/640808322.db2.gz MYCZSZVOIMDLEE-NSHDSACASA-N 1 1 236.271 1.470 20 5 BDBDMO C[C@@H]1CSCCC[N@H+]1CC[N+](=O)[O-] ZINC000934294288 641117769 /nfs/dbraw/zinc/11/77/69/641117769.db2.gz GQVJECFAEIJVTE-MRVPVSSYSA-N 1 1 204.295 1.091 20 5 BDBDMO CC(C)[C@H](C)[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000917430178 642060926 /nfs/dbraw/zinc/06/09/26/642060926.db2.gz GETOFVYAWIMACB-VIFPVBQESA-N 1 1 226.280 1.725 20 5 BDBDMO CC(C)[C@H](C)[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000917430178 642060933 /nfs/dbraw/zinc/06/09/33/642060933.db2.gz GETOFVYAWIMACB-VIFPVBQESA-N 1 1 226.280 1.725 20 5 BDBDMO C[N@H+]1CCCC[C@@H]1CCn1ccnc1[N+](=O)[O-] ZINC000918342535 642186894 /nfs/dbraw/zinc/18/68/94/642186894.db2.gz DIGYRMBAUDSTDW-SNVBAGLBSA-N 1 1 238.291 1.666 20 5 BDBDMO Cc1nn(C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000058583789 644164517 /nfs/dbraw/zinc/16/45/17/644164517.db2.gz MNGYYNSBNLTAOI-UHFFFAOYSA-N 1 1 224.264 1.461 20 5 BDBDMO CC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000097506646 644927119 /nfs/dbraw/zinc/92/71/19/644927119.db2.gz LFZAOUHXVUPXBA-SNVBAGLBSA-N 1 1 238.291 1.871 20 5 BDBDMO CC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000097506646 644927122 /nfs/dbraw/zinc/92/71/22/644927122.db2.gz LFZAOUHXVUPXBA-SNVBAGLBSA-N 1 1 238.291 1.871 20 5 BDBDMO C[C@H]1Cc2ccccc2C[N@@H+]1CC[N+](=O)[O-] ZINC000929709814 646265263 /nfs/dbraw/zinc/26/52/63/646265263.db2.gz VSPKVWHJRLOWMT-JTQLQIEISA-N 1 1 220.272 1.710 20 5 BDBDMO C[C@H]1Cc2ccccc2C[N@H+]1CC[N+](=O)[O-] ZINC000929709814 646265266 /nfs/dbraw/zinc/26/52/66/646265266.db2.gz VSPKVWHJRLOWMT-JTQLQIEISA-N 1 1 220.272 1.710 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000929956790 646379808 /nfs/dbraw/zinc/37/98/08/646379808.db2.gz XXDICPRLEDTWNU-UHFFFAOYSA-N 1 1 236.271 1.070 20 5 BDBDMO C[C@H]([NH2+][C@@H]1CNOC1)c1ccc([N+](=O)[O-])cc1 ZINC000925863220 646516673 /nfs/dbraw/zinc/51/66/73/646516673.db2.gz AGNIXWPMIHJUBM-WCBMZHEXSA-N 1 1 237.259 1.149 20 5 BDBDMO O=[N+]([O-])c1cc(C[NH2+]C2CSC2)cs1 ZINC000701978210 712033999 /nfs/dbraw/zinc/03/39/99/712033999.db2.gz CJYFOQXLUUZRQW-UHFFFAOYSA-N 1 1 230.314 1.861 20 5 BDBDMO CC[N@H+]1CC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000712594322 712435229 /nfs/dbraw/zinc/43/52/29/712435229.db2.gz LFDKDNOGQWDAQI-SECBINFHSA-N 1 1 236.275 1.496 20 5 BDBDMO C[C@H]1[C@H](Nc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000719575842 712812060 /nfs/dbraw/zinc/81/20/60/712812060.db2.gz QOUOXKRUYOKRTI-DTWKUNHWSA-N 1 1 236.275 1.494 20 5 BDBDMO C[C@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000719598556 712813045 /nfs/dbraw/zinc/81/30/45/712813045.db2.gz IDKZRPJWQXLXEC-GXFFZTMASA-N 1 1 249.314 1.777 20 5 BDBDMO C[C@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000719598556 712813047 /nfs/dbraw/zinc/81/30/47/712813047.db2.gz IDKZRPJWQXLXEC-GXFFZTMASA-N 1 1 249.314 1.777 20 5 BDBDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169008014 969332442 /nfs/dbraw/zinc/33/24/42/969332442.db2.gz QOWIVCVPTMKNEY-WDEREUQCSA-N 1 1 242.319 1.543 20 5 BDBDMO CN(C)CCC[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005244 969330840 /nfs/dbraw/zinc/33/08/40/969330840.db2.gz AABYFPWVSGSUII-NEPJUHHUSA-N 1 1 243.351 1.315 20 5 BDBDMO CN(C)CCC[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005244 969330845 /nfs/dbraw/zinc/33/08/45/969330845.db2.gz AABYFPWVSGSUII-NEPJUHHUSA-N 1 1 243.351 1.315 20 5 BDBDMO C[C@@H]1COCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007699 969332641 /nfs/dbraw/zinc/33/26/41/969332641.db2.gz PMCPJQUYMZNWBZ-GMTAPVOTSA-N 1 1 228.292 1.153 20 5 BDBDMO CN1CC[C@@H]([N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055878 969372069 /nfs/dbraw/zinc/37/20/69/969372069.db2.gz QXXFDTZQCJDHCV-SDDRHHMPSA-N 1 1 241.335 1.068 20 5 BDBDMO CCn1ccc(C[N@H+](C)CC[N+](=O)[O-])c1 ZINC001333463405 975798975 /nfs/dbraw/zinc/79/89/75/975798975.db2.gz WTOXNSNBIPOSSN-UHFFFAOYSA-N 1 1 211.265 1.217 20 5 BDBDMO CCn1ccc(C[N@@H+](C)CC[N+](=O)[O-])c1 ZINC001333463405 975798986 /nfs/dbraw/zinc/79/89/86/975798986.db2.gz WTOXNSNBIPOSSN-UHFFFAOYSA-N 1 1 211.265 1.217 20 5 BDBDMO C[NH2+][C@H]1CCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001156638138 963422138 /nfs/dbraw/zinc/42/21/38/963422138.db2.gz JHTYMJMLCIQHNB-MRVPVSSYSA-N 1 1 242.666 1.399 20 5 BDBDMO C[NH2+][C@@H]1CCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156660127 963431731 /nfs/dbraw/zinc/43/17/31/963431731.db2.gz QCFRABITUFFWGA-VIFPVBQESA-N 1 1 247.258 1.227 20 5 BDBDMO Cc1[nH+]ccn1CCNc1nccnc1[N+](=O)[O-] ZINC001163917091 965628719 /nfs/dbraw/zinc/62/87/19/965628719.db2.gz UDPCEIOMLYLVPX-UHFFFAOYSA-N 1 1 248.246 1.002 20 5 BDBDMO CC(C)[N@@H+](CCC[NH3+])[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965681 969319499 /nfs/dbraw/zinc/31/94/99/969319499.db2.gz BYIOXJAFKRBKFS-NEPJUHHUSA-N 1 1 243.351 1.491 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2Cc3cncnc3C2)C1 ZINC001169008695 969332923 /nfs/dbraw/zinc/33/29/23/969332923.db2.gz UBLFMQUYRYJNTI-ONGXEEELSA-N 1 1 248.286 1.238 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](F)C2)C1 ZINC001169010931 969337948 /nfs/dbraw/zinc/33/79/48/969337948.db2.gz GHSQPLIEQBPOJT-BBBLOLIVSA-N 1 1 216.256 1.476 20 5 BDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](F)C2)C1 ZINC001169010934 969338799 /nfs/dbraw/zinc/33/87/99/969338799.db2.gz GHSQPLIEQBPOJT-UTLUCORTSA-N 1 1 216.256 1.476 20 5 BDBDMO C[C@]1(CO)CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011230 969339800 /nfs/dbraw/zinc/33/98/00/969339800.db2.gz IVWCGXRGFBIMMU-WOPDTQHZSA-N 1 1 242.319 1.136 20 5 BDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001169024432 969364929 /nfs/dbraw/zinc/36/49/29/969364929.db2.gz HAYYLLRBQLTWTB-HHHUOAJASA-N 1 1 242.294 1.864 20 5 BDBDMO Nc1cn[nH+]cc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211191646 970169431 /nfs/dbraw/zinc/16/94/31/970169431.db2.gz YLDHEDVOBOWJFE-UHFFFAOYSA-N 1 1 249.205 1.850 20 5 BDBDMO Cc1cc(O[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001226840089 975113670 /nfs/dbraw/zinc/11/36/70/975113670.db2.gz CCEDFXGBDVFLIN-NSHDSACASA-N 1 1 236.271 1.986 20 5 BDBDMO CC[N@H+]1CC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988089 975833301 /nfs/dbraw/zinc/83/33/01/975833301.db2.gz NQEAPIKQZPVFJN-SNVBAGLBSA-N 1 1 237.259 1.463 20 5 BDBDMO C[N@H+]1CCC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879995 976547556 /nfs/dbraw/zinc/54/75/56/976547556.db2.gz OAYLBOHDNYVANC-SECBINFHSA-N 1 1 237.259 1.463 20 5 BDBDMO Cc1cc([C@H](C)[NH2+]CC[N+](=O)[O-])c(C)o1 ZINC001335778919 977280818 /nfs/dbraw/zinc/28/08/18/977280818.db2.gz BQAVUHRXMOMTDY-QMMMGPOBSA-N 1 1 212.249 1.824 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC001335894845 977352341 /nfs/dbraw/zinc/35/23/41/977352341.db2.gz ZMSRELWWUJOOMK-UHFFFAOYSA-N 1 1 234.299 1.927 20 5 BDBDMO COC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001353244948 982801533 /nfs/dbraw/zinc/80/15/33/982801533.db2.gz AKMCZHJXIMPDOP-NSHDSACASA-N 1 1 242.250 1.380 20 5 BDBDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC001119805214 989411464 /nfs/dbraw/zinc/41/14/64/989411464.db2.gz GVJKIHQPJBOJJI-GHMZBOCLSA-N 1 1 212.293 1.775 20 5 BDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001119825347 989425391 /nfs/dbraw/zinc/42/53/91/989425391.db2.gz PIXKSVOTFWNCMH-LLVKDONJSA-N 1 1 228.292 1.154 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001119825347 989425398 /nfs/dbraw/zinc/42/53/98/989425398.db2.gz PIXKSVOTFWNCMH-LLVKDONJSA-N 1 1 228.292 1.154 20 5 BDBDMO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC001262575000 992930732 /nfs/dbraw/zinc/93/07/32/992930732.db2.gz FYZUWQSWKUHLAW-SECBINFHSA-N 1 1 209.249 1.399 20 5 BDBDMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000178012100 398166461 /nfs/dbraw/zinc/16/64/61/398166461.db2.gz OOHAUYGNBXGLRX-GFCCVEGCSA-N 1 1 236.271 1.552 20 5 BDBDMO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000134403299 342826139 /nfs/dbraw/zinc/82/61/39/342826139.db2.gz OEUMIQWYPWWFFZ-SECBINFHSA-N 1 1 248.286 1.638 20 5 BDBDMO CC1(C)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176229004 344384670 /nfs/dbraw/zinc/38/46/70/344384670.db2.gz MRJVXLQWXVJYKG-UHFFFAOYSA-N 1 1 238.291 1.666 20 5 BDBDMO C[N@H+]1CC[C@@H]2CN(c3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000590719050 347500785 /nfs/dbraw/zinc/50/07/85/347500785.db2.gz IJAUJYJFIPQDRA-KOLCDFICSA-N 1 1 248.286 1.130 20 5 BDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595810902 348350575 /nfs/dbraw/zinc/35/05/75/348350575.db2.gz PPQBVMQCHRZVPU-NXEZZACHSA-N 1 1 236.275 1.133 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595766920 348334841 /nfs/dbraw/zinc/33/48/41/348334841.db2.gz MVYUNOGIFLUOCF-WCQYABFASA-N 1 1 248.282 1.552 20 5 BDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC3(COC3)C2)c1 ZINC000595833973 348367334 /nfs/dbraw/zinc/36/73/34/348367334.db2.gz FWPOZFSKRZIIIL-UHFFFAOYSA-N 1 1 248.282 1.817 20 5 BDBDMO Cn1c[nH+]cc1CCNc1ccc([N+](=O)[O-])cn1 ZINC000302177817 191119395 /nfs/dbraw/zinc/11/93/95/191119395.db2.gz RETMLJZJPJHNSA-UHFFFAOYSA-N 1 1 247.258 1.378 20 5 BDBDMO O=[N+]([O-])c1cccc(CNCC[NH+]2CCCC2)c1 ZINC000020127022 363002058 /nfs/dbraw/zinc/00/20/58/363002058.db2.gz CCHZISJXWOOSMD-UHFFFAOYSA-N 1 1 249.314 1.780 20 5 BDBDMO C[NH2+]Cc1noc(-c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000088147878 356537801 /nfs/dbraw/zinc/53/78/01/356537801.db2.gz YULMDFNWDXTUPF-UHFFFAOYSA-N 1 1 248.242 1.673 20 5 BDBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000035792505 359454866 /nfs/dbraw/zinc/45/48/66/359454866.db2.gz QFROJHZMIHUFBJ-HTQZYQBOSA-N 1 1 237.259 1.119 20 5 BDBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)c(F)c1 ZINC000443892650 193031846 /nfs/dbraw/zinc/03/18/46/193031846.db2.gz YMNCSYSNHATZHQ-UHFFFAOYSA-N 1 1 239.250 1.852 20 5 BDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](O)C1 ZINC000074324353 368837274 /nfs/dbraw/zinc/83/72/74/368837274.db2.gz AQTUTISUHBJBGU-JOYOIKCWSA-N 1 1 236.271 1.722 20 5 BDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](O)C1 ZINC000074324358 368837817 /nfs/dbraw/zinc/83/78/17/368837817.db2.gz AQTUTISUHBJBGU-BXKDBHETSA-N 1 1 236.271 1.722 20 5 BDBDMO CCO[C@@H]1C[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309970719 370281760 /nfs/dbraw/zinc/28/17/60/370281760.db2.gz PJTIRJQITQYLPV-DTWKUNHWSA-N 1 1 242.300 1.923 20 5 BDBDMO C[C@H](CO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601102891 371727638 /nfs/dbraw/zinc/72/76/38/371727638.db2.gz JIXQRZXZBCIUKQ-MRVPVSSYSA-N 1 1 247.254 1.358 20 5 BDBDMO Cn1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602714779 371832979 /nfs/dbraw/zinc/83/29/79/371832979.db2.gz WGEOBCWCKLQEOT-RKDXNWHRSA-N 1 1 236.275 1.170 20 5 BDBDMO CC(C)C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602438469 371804059 /nfs/dbraw/zinc/80/40/59/371804059.db2.gz RCCBGMJTZVCUMV-UHFFFAOYSA-N 1 1 226.280 1.416 20 5 BDBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602486430 371813457 /nfs/dbraw/zinc/81/34/57/371813457.db2.gz UFIFTMWNXHQEPQ-DTWKUNHWSA-N 1 1 238.291 1.559 20 5 BDBDMO Cn1cc(Cn2cc[nH+]c2C2CC2)c([N+](=O)[O-])n1 ZINC000603366073 371888965 /nfs/dbraw/zinc/88/89/65/371888965.db2.gz NJLMIDQFWYFYJN-UHFFFAOYSA-N 1 1 247.258 1.451 20 5 BDBDMO CC[N@@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000054128023 384822898 /nfs/dbraw/zinc/82/28/98/384822898.db2.gz PWLDDDBSSKNGSE-UHFFFAOYSA-N 1 1 241.295 1.000 20 5 BDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106883106 384937533 /nfs/dbraw/zinc/93/75/33/384937533.db2.gz ONHUMLDORAXROM-NSHDSACASA-N 1 1 236.271 1.816 20 5 BDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106883106 384937542 /nfs/dbraw/zinc/93/75/42/384937542.db2.gz ONHUMLDORAXROM-NSHDSACASA-N 1 1 236.271 1.816 20 5 BDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000293520254 385750744 /nfs/dbraw/zinc/75/07/44/385750744.db2.gz VZJITJKRYKSLIC-BDAKNGLRSA-N 1 1 224.264 1.132 20 5 BDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCCC1 ZINC000331058521 385883559 /nfs/dbraw/zinc/88/35/59/385883559.db2.gz MMTHQOXKIYHZKD-UHFFFAOYSA-N 1 1 238.291 1.703 20 5 BDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000051886643 386566352 /nfs/dbraw/zinc/56/63/52/386566352.db2.gz ZBCHIJPIUPJUAH-JTQLQIEISA-N 1 1 236.271 1.409 20 5 BDBDMO CC[N@@H+](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000054110077 387123794 /nfs/dbraw/zinc/12/37/94/387123794.db2.gz JURDKNWDRXSIGA-UHFFFAOYSA-N 1 1 237.303 1.636 20 5 BDBDMO CCN(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000054110077 387123799 /nfs/dbraw/zinc/12/37/99/387123799.db2.gz JURDKNWDRXSIGA-UHFFFAOYSA-N 1 1 237.303 1.636 20 5 BDBDMO C[C@H](CC[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000414889330 387590899 /nfs/dbraw/zinc/59/08/99/387590899.db2.gz SKWKPPMPCNYJKB-SECBINFHSA-N 1 1 223.276 1.422 20 5 BDBDMO C[C@]1(F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347333859 387798908 /nfs/dbraw/zinc/79/89/08/387798908.db2.gz AUJGHCPOLPWHKD-JTQLQIEISA-N 1 1 242.254 1.225 20 5 BDBDMO C[C@]1(F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347333859 387798914 /nfs/dbraw/zinc/79/89/14/387798914.db2.gz AUJGHCPOLPWHKD-JTQLQIEISA-N 1 1 242.254 1.225 20 5 BDBDMO CC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171646772 388405742 /nfs/dbraw/zinc/40/57/42/388405742.db2.gz HKXXQMKPUZGJRL-NSHDSACASA-N 1 1 238.287 1.798 20 5 BDBDMO N[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423018562 388686833 /nfs/dbraw/zinc/68/68/33/388686833.db2.gz ZGBDBFLQJLARSG-OLZOCXBDSA-N 1 1 249.314 1.607 20 5 BDBDMO [NH3+][C@@H]1CCC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423018562 388686837 /nfs/dbraw/zinc/68/68/37/388686837.db2.gz ZGBDBFLQJLARSG-OLZOCXBDSA-N 1 1 249.314 1.607 20 5 BDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)nc1 ZINC000280241921 388781788 /nfs/dbraw/zinc/78/17/88/388781788.db2.gz MNFONONOPIKVCH-UHFFFAOYSA-N 1 1 248.286 1.664 20 5 BDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000332472958 388790249 /nfs/dbraw/zinc/79/02/49/388790249.db2.gz SNNQHRIJTXDJLF-UHFFFAOYSA-N 1 1 236.271 1.550 20 5 BDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C)CC2)n1 ZINC000119710770 132223542 /nfs/dbraw/zinc/22/35/42/132223542.db2.gz SARFKRDPGDXISC-UHFFFAOYSA-N 1 1 236.275 1.050 20 5 BDBDMO [NH3+]CC(F)(F)CNc1ccccc1[N+](=O)[O-] ZINC000164922742 135453682 /nfs/dbraw/zinc/45/36/82/135453682.db2.gz FXSMIDIJUCCNHL-UHFFFAOYSA-N 1 1 231.202 1.601 20 5 BDBDMO C[N@@H+]1CCC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000122040526 173057202 /nfs/dbraw/zinc/05/72/02/173057202.db2.gz CRSYGYDBRGVXBZ-ZDUSSCGKSA-N 1 1 249.314 1.779 20 5 BDBDMO C[N@H+]1CCC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000122040526 173057204 /nfs/dbraw/zinc/05/72/04/173057204.db2.gz CRSYGYDBRGVXBZ-ZDUSSCGKSA-N 1 1 249.314 1.779 20 5 BDBDMO C[N@H+]1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000037647792 173146355 /nfs/dbraw/zinc/14/63/55/173146355.db2.gz DWRNOXAGLQOZBR-SNVBAGLBSA-N 1 1 235.287 1.958 20 5 BDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000177872716 176169534 /nfs/dbraw/zinc/16/95/34/176169534.db2.gz AFAOFKSTHYSENB-NXEZZACHSA-N 1 1 238.291 1.522 20 5 BDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123177283 177186024 /nfs/dbraw/zinc/18/60/24/177186024.db2.gz RYMNXFNIYBGLKI-AOOOYVTPSA-N 1 1 238.291 1.664 20 5 BDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000339562927 177256605 /nfs/dbraw/zinc/25/66/05/177256605.db2.gz OWZZQFCLJUXDLB-IUCAKERBSA-N 1 1 224.264 1.132 20 5 BDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351783320 177263945 /nfs/dbraw/zinc/26/39/45/177263945.db2.gz RKWHIXOZNFGJPH-CABZTGNLSA-N 1 1 236.271 1.407 20 5 BDBDMO C[N@H+](C[C@H]1CC1(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000853626943 588750939 /nfs/dbraw/zinc/75/09/39/588750939.db2.gz KOOYKZWGYLQNJA-SECBINFHSA-N 1 1 238.291 1.727 20 5 BDBDMO C[N@@H+](C[C@H]1CC1(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000853626943 588750940 /nfs/dbraw/zinc/75/09/40/588750940.db2.gz KOOYKZWGYLQNJA-SECBINFHSA-N 1 1 238.291 1.727 20 5 BDBDMO C[N@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000893934579 583252542 /nfs/dbraw/zinc/25/25/42/583252542.db2.gz IDNMCALKBJNFIO-GXSJLCMTSA-N 1 1 248.286 1.130 20 5 BDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000791053009 583385270 /nfs/dbraw/zinc/38/52/70/583385270.db2.gz RQELIHABLHBZRL-NSHDSACASA-N 1 1 212.293 1.918 20 5 BDBDMO CCC[N@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000727820182 583777758 /nfs/dbraw/zinc/77/77/58/583777758.db2.gz BGCGSJUWBQWKOI-UHFFFAOYSA-N 1 1 212.253 1.481 20 5 BDBDMO CCC[N@@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000727820182 583777759 /nfs/dbraw/zinc/77/77/59/583777759.db2.gz BGCGSJUWBQWKOI-UHFFFAOYSA-N 1 1 212.253 1.481 20 5 BDBDMO C[NH+](C)[C@@H](CNCC[N+](=O)[O-])c1cccs1 ZINC000899859672 584242415 /nfs/dbraw/zinc/24/24/15/584242415.db2.gz MBGWLCJGNWBWCJ-VIFPVBQESA-N 1 1 243.332 1.217 20 5 BDBDMO COc1c(C)cccc1C[NH2+]CC[N+](=O)[O-] ZINC000899890401 584245808 /nfs/dbraw/zinc/24/58/08/584245808.db2.gz BMJIRVYEGVIEFU-UHFFFAOYSA-N 1 1 224.260 1.370 20 5 BDBDMO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000738053764 585040595 /nfs/dbraw/zinc/04/05/95/585040595.db2.gz MEFSNENBTFWLBD-UHFFFAOYSA-N 1 1 224.264 1.623 20 5 BDBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000738053764 585040596 /nfs/dbraw/zinc/04/05/96/585040596.db2.gz MEFSNENBTFWLBD-UHFFFAOYSA-N 1 1 224.264 1.623 20 5 BDBDMO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779864130 585769159 /nfs/dbraw/zinc/76/91/59/585769159.db2.gz UWWPOIICUSJHCU-DTORHVGOSA-N 1 1 238.291 1.645 20 5 BDBDMO Cc1nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779864130 585769160 /nfs/dbraw/zinc/76/91/60/585769160.db2.gz UWWPOIICUSJHCU-DTORHVGOSA-N 1 1 238.291 1.645 20 5 BDBDMO C[C@@H]1c2cccn2CC[N@H+]1CC[N+](=O)[O-] ZINC000791053410 585972977 /nfs/dbraw/zinc/97/29/77/585972977.db2.gz LSMGKAHDRZUUIT-SECBINFHSA-N 1 1 209.249 1.141 20 5 BDBDMO C[C@@H]1c2cccn2CC[N@@H+]1CC[N+](=O)[O-] ZINC000791053410 585972978 /nfs/dbraw/zinc/97/29/78/585972978.db2.gz LSMGKAHDRZUUIT-SECBINFHSA-N 1 1 209.249 1.141 20 5 BDBDMO C[C@@H]1[C@H](C)C[N@@H+](Cn2nccc2[N+](=O)[O-])[C@H]1C ZINC000841688897 587972067 /nfs/dbraw/zinc/97/20/67/587972067.db2.gz HUVZACNFVJNSND-BBBLOLIVSA-N 1 1 238.291 1.725 20 5 BDBDMO C[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238798 588095781 /nfs/dbraw/zinc/09/57/81/588095781.db2.gz ZOWDNPSQSXLQQC-SCSAIBSYSA-N 1 1 224.176 1.258 20 5 BDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC=C[C@@H]2CO)cc1 ZINC000880486944 591063188 /nfs/dbraw/zinc/06/31/88/591063188.db2.gz RJQZWCBQUKHAAY-CYBMUJFWSA-N 1 1 248.282 1.370 20 5 BDBDMO CC[N@H+](CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000885965529 592116814 /nfs/dbraw/zinc/11/68/14/592116814.db2.gz OPLBKJBJFXREIS-UHFFFAOYSA-N 1 1 239.275 1.458 20 5 BDBDMO CC[N@@H+](CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000885965529 592116817 /nfs/dbraw/zinc/11/68/17/592116817.db2.gz OPLBKJBJFXREIS-UHFFFAOYSA-N 1 1 239.275 1.458 20 5 BDBDMO C[C@@H](CCO)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886269454 592192187 /nfs/dbraw/zinc/19/21/87/592192187.db2.gz VMDCYRJEZDUBCR-VIFPVBQESA-N 1 1 239.275 1.193 20 5 BDBDMO C[C@@H](CCO)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886269454 592192189 /nfs/dbraw/zinc/19/21/89/592192189.db2.gz VMDCYRJEZDUBCR-VIFPVBQESA-N 1 1 239.275 1.193 20 5 BDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886329636 592209954 /nfs/dbraw/zinc/20/99/54/592209954.db2.gz HASVTOXDWALOHB-PHIMTYICSA-N 1 1 248.282 1.925 20 5 BDBDMO C[C@@]1([NH2+]CC[N+](=O)[O-])CCOc2ccccc21 ZINC000933369597 631330660 /nfs/dbraw/zinc/33/06/60/631330660.db2.gz LEEIXPNTMDEBPU-GFCCVEGCSA-N 1 1 236.271 1.551 20 5 BDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCF)c(F)c1 ZINC000309001468 631800950 /nfs/dbraw/zinc/80/09/50/631800950.db2.gz LOPYXWMZMZBTHC-UHFFFAOYSA-N 1 1 216.187 1.793 20 5 BDBDMO CCCC[N@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000123492269 634240811 /nfs/dbraw/zinc/24/08/11/634240811.db2.gz UTTYDDVABMRLFJ-UHFFFAOYSA-N 1 1 226.280 1.871 20 5 BDBDMO CCCC[N@@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000123492269 634240819 /nfs/dbraw/zinc/24/08/19/634240819.db2.gz UTTYDDVABMRLFJ-UHFFFAOYSA-N 1 1 226.280 1.871 20 5 BDBDMO CC[C@@H]1CCCC[N@H+]1CCNCC[N+](=O)[O-] ZINC000905114594 637620899 /nfs/dbraw/zinc/62/08/99/637620899.db2.gz OQNMNMQXONDPQG-LLVKDONJSA-N 1 1 229.324 1.117 20 5 BDBDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930202336 639637100 /nfs/dbraw/zinc/63/71/00/639637100.db2.gz QHPAOBOJYTZONS-MRVPVSSYSA-N 1 1 242.250 1.762 20 5 BDBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC[N+](=O)[O-] ZINC000930456516 639757933 /nfs/dbraw/zinc/75/79/33/639757933.db2.gz VDJABHDSXGKEJE-QWRGUYRKSA-N 1 1 230.308 1.279 20 5 BDBDMO C[C@H]1Cc2[nH+]cn(CC[N+](=O)[O-])c2C[C@@H]1C ZINC000930610000 639821079 /nfs/dbraw/zinc/82/10/79/639821079.db2.gz OEWDQROVJTUQBM-IUCAKERBSA-N 1 1 223.276 1.531 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000930750085 639896271 /nfs/dbraw/zinc/89/62/71/639896271.db2.gz FIUWGMSEPPAORM-UHFFFAOYSA-N 1 1 230.308 1.541 20 5 BDBDMO COc1ccccc1C1([NH2+]CC[N+](=O)[O-])CC1 ZINC000930815253 639915320 /nfs/dbraw/zinc/91/53/20/639915320.db2.gz TVAZOUNKRGAYQT-UHFFFAOYSA-N 1 1 236.271 1.551 20 5 BDBDMO Cc1c(C[NH2+]Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000231884605 641212925 /nfs/dbraw/zinc/21/29/25/641212925.db2.gz NPNCESAWTRSUJB-UHFFFAOYSA-N 1 1 246.270 1.916 20 5 BDBDMO Cc1nn(C[C@H]2CCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000915323217 641819896 /nfs/dbraw/zinc/81/98/96/641819896.db2.gz YDKADPFXJBTFBC-SNVBAGLBSA-N 1 1 238.291 1.502 20 5 BDBDMO Cc1[nH+]ccn1CCCn1ccnc1[N+](=O)[O-] ZINC000918352018 642190425 /nfs/dbraw/zinc/19/04/25/642190425.db2.gz RHVZEKWFGSUDMG-UHFFFAOYSA-N 1 1 235.247 1.387 20 5 BDBDMO CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000192993193 644203977 /nfs/dbraw/zinc/20/39/77/644203977.db2.gz YUBNETPKVUYNOR-UHFFFAOYSA-N 1 1 238.291 1.850 20 5 BDBDMO CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000192993193 644203981 /nfs/dbraw/zinc/20/39/81/644203981.db2.gz YUBNETPKVUYNOR-UHFFFAOYSA-N 1 1 238.291 1.850 20 5 BDBDMO C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000246794081 644606283 /nfs/dbraw/zinc/60/62/83/644606283.db2.gz JNBBFXSYUPBCQL-IUCAKERBSA-N 1 1 224.264 1.479 20 5 BDBDMO C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000246794081 644606296 /nfs/dbraw/zinc/60/62/96/644606296.db2.gz JNBBFXSYUPBCQL-IUCAKERBSA-N 1 1 224.264 1.479 20 5 BDBDMO [NH3+][C@@H]1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000093215869 644682646 /nfs/dbraw/zinc/68/26/46/644682646.db2.gz JKACJQIPAZOZPO-NEPJUHHUSA-N 1 1 249.314 1.954 20 5 BDBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000841689304 645223731 /nfs/dbraw/zinc/22/37/31/645223731.db2.gz IZPBMHDKBQAXRJ-KXUCPTDWSA-N 1 1 238.291 1.725 20 5 BDBDMO COCCCC[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000841690302 645226376 /nfs/dbraw/zinc/22/63/76/645226376.db2.gz FCTYXXPCZXCTAG-UHFFFAOYSA-N 1 1 242.279 1.107 20 5 BDBDMO COCCCC[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000841690302 645226384 /nfs/dbraw/zinc/22/63/84/645226384.db2.gz FCTYXXPCZXCTAG-UHFFFAOYSA-N 1 1 242.279 1.107 20 5 BDBDMO C[N@H+](CC[N+](=O)[O-])Cc1cccs1 ZINC000929208398 646006963 /nfs/dbraw/zinc/00/69/63/646006963.db2.gz VVNHIAKNDYQSHU-UHFFFAOYSA-N 1 1 200.263 1.457 20 5 BDBDMO C[N@@H+](CC[N+](=O)[O-])Cc1cccs1 ZINC000929208398 646006968 /nfs/dbraw/zinc/00/69/68/646006968.db2.gz VVNHIAKNDYQSHU-UHFFFAOYSA-N 1 1 200.263 1.457 20 5 BDBDMO CC[N@@H+](CC[N+](=O)[O-])C1CCCCC1 ZINC000929271814 646052449 /nfs/dbraw/zinc/05/24/49/646052449.db2.gz UKQYGQAMEBUQQD-UHFFFAOYSA-N 1 1 200.282 1.918 20 5 BDBDMO C[C@@H]1c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC000929599117 646189954 /nfs/dbraw/zinc/18/99/54/646189954.db2.gz XHWVDFMEPDPWHY-SNVBAGLBSA-N 1 1 220.272 1.882 20 5 BDBDMO C[C@@H]1c2ccccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000929599117 646189959 /nfs/dbraw/zinc/18/99/59/646189959.db2.gz XHWVDFMEPDPWHY-SNVBAGLBSA-N 1 1 220.272 1.882 20 5 BDBDMO COc1ccccc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930180981 646481787 /nfs/dbraw/zinc/48/17/87/646481787.db2.gz XBOUWYMMXWPJPP-SECBINFHSA-N 1 1 224.260 1.623 20 5 BDBDMO Cc1ccccc1OCC[N@@H+](C)CC[N+](=O)[O-] ZINC000791052713 712422083 /nfs/dbraw/zinc/42/20/83/712422083.db2.gz ASVKRQQKCVACGR-UHFFFAOYSA-N 1 1 238.287 1.582 20 5 BDBDMO Cc1ccccc1OCC[N@H+](C)CC[N+](=O)[O-] ZINC000791052713 712422084 /nfs/dbraw/zinc/42/20/84/712422084.db2.gz ASVKRQQKCVACGR-UHFFFAOYSA-N 1 1 238.287 1.582 20 5 BDBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712593135 712435244 /nfs/dbraw/zinc/43/52/44/712435244.db2.gz CFSKFYLXHHRLKJ-NSHDSACASA-N 1 1 221.260 1.711 20 5 BDBDMO