smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090511307 349437819 /nfs/dbraw/zinc/43/78/19/349437819.db2.gz TXUJVGIROYUIBI-UHFFFAOYSA-N 1 2 281.312 0.867 20 5 CCBDLO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090511307 349437821 /nfs/dbraw/zinc/43/78/21/349437821.db2.gz TXUJVGIROYUIBI-UHFFFAOYSA-N 1 2 281.312 0.867 20 5 CCBDLO NC(=O)C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599666855 361778699 /nfs/dbraw/zinc/77/86/99/361778699.db2.gz YVUGHCRPBANZPX-NSHDSACASA-N 1 2 279.296 0.671 20 5 CCBDLO NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599666855 361778702 /nfs/dbraw/zinc/77/87/02/361778702.db2.gz YVUGHCRPBANZPX-NSHDSACASA-N 1 2 279.296 0.671 20 5 CCBDLO C[C@@H]1[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C(=O)N1C ZINC000602851084 362837845 /nfs/dbraw/zinc/83/78/45/362837845.db2.gz YYRUKWBXLHTASS-MXWKQRLJSA-N 1 2 295.343 0.731 20 5 CCBDLO C[C@@H]1[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C(=O)N1C ZINC000602851084 362837851 /nfs/dbraw/zinc/83/78/51/362837851.db2.gz YYRUKWBXLHTASS-MXWKQRLJSA-N 1 2 295.343 0.731 20 5 CCBDLO Cc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1[N+](=O)[O-] ZINC000342851677 137100124 /nfs/dbraw/zinc/10/01/24/137100124.db2.gz JTNSSYOGJIMCAX-UHFFFAOYSA-N 1 2 293.323 0.540 20 5 CCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344362027 137190346 /nfs/dbraw/zinc/19/03/46/137190346.db2.gz LXKKAQXCJKHIKP-MRVPVSSYSA-N 1 2 263.257 0.938 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cnc[nH]1 ZINC000602884545 362862642 /nfs/dbraw/zinc/86/26/42/362862642.db2.gz NZXGJIVXUQEVHS-UHFFFAOYSA-N 1 2 264.289 0.955 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cnc[nH]1 ZINC000602884545 362862647 /nfs/dbraw/zinc/86/26/47/362862647.db2.gz NZXGJIVXUQEVHS-UHFFFAOYSA-N 1 2 264.289 0.955 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1c[nH]cn1 ZINC000602884545 362862651 /nfs/dbraw/zinc/86/26/51/362862651.db2.gz NZXGJIVXUQEVHS-UHFFFAOYSA-N 1 2 264.289 0.955 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1c[nH]cn1 ZINC000602884545 362862656 /nfs/dbraw/zinc/86/26/56/362862656.db2.gz NZXGJIVXUQEVHS-UHFFFAOYSA-N 1 2 264.289 0.955 20 5 CCBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000346683150 137298972 /nfs/dbraw/zinc/29/89/72/137298972.db2.gz FWCOGBCDBUPJST-DTWKUNHWSA-N 1 2 282.300 0.712 20 5 CCBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000346683150 137298973 /nfs/dbraw/zinc/29/89/73/137298973.db2.gz FWCOGBCDBUPJST-DTWKUNHWSA-N 1 2 282.300 0.712 20 5 CCBDLO CC(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962332 362910908 /nfs/dbraw/zinc/91/09/08/362910908.db2.gz JGBBQGITDHPEJQ-LBPRGKRZSA-N 1 2 252.270 0.981 20 5 CCBDLO NC(=O)c1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC000350464857 137416045 /nfs/dbraw/zinc/41/60/45/137416045.db2.gz YEDGSERWHIXYFH-UHFFFAOYSA-N 1 2 276.252 0.972 20 5 CCBDLO Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000081275311 349254117 /nfs/dbraw/zinc/25/41/17/349254117.db2.gz VMPICUQXXJUVEQ-LLVKDONJSA-N 1 2 279.344 0.956 20 5 CCBDLO Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000081275311 349254119 /nfs/dbraw/zinc/25/41/19/349254119.db2.gz VMPICUQXXJUVEQ-LLVKDONJSA-N 1 2 279.344 0.956 20 5 CCBDLO C[C@@H]1C(=O)NCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000104693681 186015269 /nfs/dbraw/zinc/01/52/69/186015269.db2.gz OOHFZGFPNGYMSP-SNVBAGLBSA-N 1 2 279.296 0.794 20 5 CCBDLO C[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000104693681 186015270 /nfs/dbraw/zinc/01/52/70/186015270.db2.gz OOHFZGFPNGYMSP-SNVBAGLBSA-N 1 2 279.296 0.794 20 5 CCBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000135072935 350384013 /nfs/dbraw/zinc/38/40/13/350384013.db2.gz YCSJIUYHLPKTDW-UHFFFAOYSA-N 1 2 250.214 0.883 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603088405 362956493 /nfs/dbraw/zinc/95/64/93/362956493.db2.gz MXNJNQFRVOLBAQ-QMTHXVAHSA-N 1 2 291.307 0.908 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603088405 362956499 /nfs/dbraw/zinc/95/64/99/362956499.db2.gz MXNJNQFRVOLBAQ-QMTHXVAHSA-N 1 2 291.307 0.908 20 5 CCBDLO C[C@H]1C(=O)NCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189304359 351667035 /nfs/dbraw/zinc/66/70/35/351667035.db2.gz ONYBOIYTXPQLCV-VIFPVBQESA-N 1 2 267.289 0.002 20 5 CCBDLO C[C@H]1C(=O)NCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189304359 351667040 /nfs/dbraw/zinc/66/70/40/351667040.db2.gz ONYBOIYTXPQLCV-VIFPVBQESA-N 1 2 267.289 0.002 20 5 CCBDLO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000235451643 352184602 /nfs/dbraw/zinc/18/46/02/352184602.db2.gz YFFYKIHZRPOKMZ-MRVPVSSYSA-N 1 2 267.285 0.980 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[NH2+]CC1 ZINC000238122695 352298592 /nfs/dbraw/zinc/29/85/92/352298592.db2.gz CAIDTSJIMYCHCF-UHFFFAOYSA-N 1 2 251.242 0.346 20 5 CCBDLO Cc1ccnc(NCCC[N@@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000269956412 352889114 /nfs/dbraw/zinc/88/91/14/352889114.db2.gz KIDZIRKSZXWDGN-UHFFFAOYSA-N 1 2 293.327 0.532 20 5 CCBDLO Cc1ccnc(NCCC[N@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000269956412 352889117 /nfs/dbraw/zinc/88/91/17/352889117.db2.gz KIDZIRKSZXWDGN-UHFFFAOYSA-N 1 2 293.327 0.532 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270759637 352979638 /nfs/dbraw/zinc/97/96/38/352979638.db2.gz QCYFHPRDSKFGNO-JTQLQIEISA-N 1 2 294.311 0.846 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270759637 352979640 /nfs/dbraw/zinc/97/96/40/352979640.db2.gz QCYFHPRDSKFGNO-JTQLQIEISA-N 1 2 294.311 0.846 20 5 CCBDLO CN(CCCn1cc[nH+]c1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159109762 188408581 /nfs/dbraw/zinc/40/85/81/188408581.db2.gz BFCFTAATMUGWMV-UHFFFAOYSA-N 1 2 278.272 0.677 20 5 CCBDLO Cc1nc(N(C)[C@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296714940 353956160 /nfs/dbraw/zinc/95/61/60/353956160.db2.gz GVPYKLBWKUOATQ-SNVBAGLBSA-N 1 2 295.343 0.850 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338626791 355383590 /nfs/dbraw/zinc/38/35/90/355383590.db2.gz UNEHBUQQODIPKB-JTQLQIEISA-N 1 2 258.253 0.198 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338626791 355383596 /nfs/dbraw/zinc/38/35/96/355383596.db2.gz UNEHBUQQODIPKB-JTQLQIEISA-N 1 2 258.253 0.198 20 5 CCBDLO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000340223141 355529245 /nfs/dbraw/zinc/52/92/45/355529245.db2.gz UCMZJMXVCRQKKB-SNVBAGLBSA-N 1 2 292.295 0.014 20 5 CCBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000340223141 355529247 /nfs/dbraw/zinc/52/92/47/355529247.db2.gz UCMZJMXVCRQKKB-SNVBAGLBSA-N 1 2 292.295 0.014 20 5 CCBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352820138 356089694 /nfs/dbraw/zinc/08/96/94/356089694.db2.gz YGFNVORJEHZTQU-RYUDHWBXSA-N 1 2 295.295 0.225 20 5 CCBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352820138 356089703 /nfs/dbraw/zinc/08/97/03/356089703.db2.gz YGFNVORJEHZTQU-RYUDHWBXSA-N 1 2 295.295 0.225 20 5 CCBDLO COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532398474 358510384 /nfs/dbraw/zinc/51/03/84/358510384.db2.gz SUWORRGXTCZEET-UHFFFAOYSA-N 1 2 294.311 0.394 20 5 CCBDLO Cc1ccnc(N2CCC[N@H+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000363220378 357058509 /nfs/dbraw/zinc/05/85/09/357058509.db2.gz ZILZOQIUNGNEHL-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO Cc1ccnc(N2CCC[N@@H+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000363220378 357058510 /nfs/dbraw/zinc/05/85/10/357058510.db2.gz ZILZOQIUNGNEHL-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000294846411 199211155 /nfs/dbraw/zinc/21/11/55/199211155.db2.gz RQQGRGRXLWWIPW-GFCCVEGCSA-N 1 2 252.270 0.788 20 5 CCBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000294846411 199211157 /nfs/dbraw/zinc/21/11/57/199211157.db2.gz RQQGRGRXLWWIPW-GFCCVEGCSA-N 1 2 252.270 0.788 20 5 CCBDLO CCn1cc[nH+]c1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565606619 358563944 /nfs/dbraw/zinc/56/39/44/358563944.db2.gz CSQHQMDFMKQSRR-UHFFFAOYSA-N 1 2 290.283 0.549 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000610914007 363631605 /nfs/dbraw/zinc/63/16/05/363631605.db2.gz OSGFEPPJVBDTDP-APPZFPTMSA-N 1 2 297.315 0.075 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000610914007 363631611 /nfs/dbraw/zinc/63/16/11/363631611.db2.gz OSGFEPPJVBDTDP-APPZFPTMSA-N 1 2 297.315 0.075 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3cn[nH]c3C2)n1 ZINC000611008665 363648333 /nfs/dbraw/zinc/64/83/33/363648333.db2.gz GGGCUNNZELSYOJ-UHFFFAOYSA-N 1 2 262.273 0.573 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3cn[nH]c3C2)n1 ZINC000611008665 363648338 /nfs/dbraw/zinc/64/83/38/363648338.db2.gz GGGCUNNZELSYOJ-UHFFFAOYSA-N 1 2 262.273 0.573 20 5 CCBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611203406 363679865 /nfs/dbraw/zinc/67/98/65/363679865.db2.gz YWKFYCURWAZMIO-VIFPVBQESA-N 1 2 290.283 0.992 20 5 CCBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)NC1=O ZINC000593921174 360216097 /nfs/dbraw/zinc/21/60/97/360216097.db2.gz QRDJAHKIEBTYQY-JTQLQIEISA-N 1 2 263.253 0.442 20 5 CCBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)NC1=O ZINC000593921174 360216101 /nfs/dbraw/zinc/21/61/01/360216101.db2.gz QRDJAHKIEBTYQY-JTQLQIEISA-N 1 2 263.253 0.442 20 5 CCBDLO CC(C)(C)n1nnc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)n1 ZINC000594932246 360419038 /nfs/dbraw/zinc/41/90/38/360419038.db2.gz XCFTWITUVBFADK-UHFFFAOYSA-N 1 2 294.319 0.323 20 5 CCBDLO COCC[N@H+](CCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595307661 360490672 /nfs/dbraw/zinc/49/06/72/360490672.db2.gz WLIKYVHTKYXEBB-UHFFFAOYSA-N 1 2 259.262 0.332 20 5 CCBDLO COCC[N@@H+](CCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595307661 360490675 /nfs/dbraw/zinc/49/06/75/360490675.db2.gz WLIKYVHTKYXEBB-UHFFFAOYSA-N 1 2 259.262 0.332 20 5 CCBDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1[N+](=O)[O-] ZINC000595412739 360525605 /nfs/dbraw/zinc/52/56/05/360525605.db2.gz UFMNUWVINICUTF-SSDOTTSWSA-N 1 2 269.261 0.134 20 5 CCBDLO Cc1noc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1[N+](=O)[O-] ZINC000595412739 360525610 /nfs/dbraw/zinc/52/56/10/360525610.db2.gz UFMNUWVINICUTF-SSDOTTSWSA-N 1 2 269.261 0.134 20 5 CCBDLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595528856 360564827 /nfs/dbraw/zinc/56/48/27/360564827.db2.gz UNGLQKUEASTORG-PSASIEDQSA-N 1 2 271.273 0.785 20 5 CCBDLO Cc1noc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000595465584 360541878 /nfs/dbraw/zinc/54/18/78/360541878.db2.gz CLYKOIZBPIKWAG-UWVGGRQHSA-N 1 2 285.300 0.863 20 5 CCBDLO Cc1noc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000595465584 360541886 /nfs/dbraw/zinc/54/18/86/360541886.db2.gz CLYKOIZBPIKWAG-UWVGGRQHSA-N 1 2 285.300 0.863 20 5 CCBDLO CN(CC1C[NH+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598165849 361346524 /nfs/dbraw/zinc/34/65/24/361346524.db2.gz ZAJLGRPBWOHMGZ-UHFFFAOYSA-N 1 2 279.296 0.934 20 5 CCBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](C)[NH+]1CCOCC1 ZINC000330619015 203047132 /nfs/dbraw/zinc/04/71/32/203047132.db2.gz HZQLCDOMHKSTGS-NXEZZACHSA-N 1 2 296.327 0.762 20 5 CCBDLO NC(=O)[C@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000330654835 203083158 /nfs/dbraw/zinc/08/31/58/203083158.db2.gz PBGHRXQEHFDDMA-SECBINFHSA-N 1 2 285.329 0.744 20 5 CCBDLO NC(=O)[C@H]1CSCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000330654835 203083160 /nfs/dbraw/zinc/08/31/60/203083160.db2.gz PBGHRXQEHFDDMA-SECBINFHSA-N 1 2 285.329 0.744 20 5 CCBDLO CN(C)c1[nH+]cccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000049728706 284510462 /nfs/dbraw/zinc/51/04/62/284510462.db2.gz JEDVLRCUNFGVDD-UHFFFAOYSA-N 1 2 290.283 0.891 20 5 CCBDLO CCc1n[nH]c(C(=O)N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000265143179 190160856 /nfs/dbraw/zinc/16/08/56/190160856.db2.gz JPXCYYOZHNKMMQ-UHFFFAOYSA-N 1 2 292.299 0.886 20 5 CCBDLO CCc1[nH]nc(C(=O)N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000265143179 190160857 /nfs/dbraw/zinc/16/08/57/190160857.db2.gz JPXCYYOZHNKMMQ-UHFFFAOYSA-N 1 2 292.299 0.886 20 5 CCBDLO CNc1nc(C(=O)NCCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000455588505 533076058 /nfs/dbraw/zinc/07/60/58/533076058.db2.gz JOILHJJMMHGDMO-UHFFFAOYSA-N 1 2 290.283 0.727 20 5 CCBDLO COc1cc[nH+]cc1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000288802534 388865378 /nfs/dbraw/zinc/86/53/78/388865378.db2.gz TYUAQPKWYPLCJX-UHFFFAOYSA-N 1 2 292.251 0.938 20 5 CCBDLO CC[N@H+](CC(N)=O)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000188075446 388912188 /nfs/dbraw/zinc/91/21/88/388912188.db2.gz WIZXHEPQKYWDBV-UHFFFAOYSA-N 1 2 297.311 0.919 20 5 CCBDLO CC[N@@H+](CC(N)=O)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000188075446 388912189 /nfs/dbraw/zinc/91/21/89/388912189.db2.gz WIZXHEPQKYWDBV-UHFFFAOYSA-N 1 2 297.311 0.919 20 5 CCBDLO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)O1 ZINC000236254298 389167915 /nfs/dbraw/zinc/16/79/15/389167915.db2.gz FCWZKQZNMUSXRK-KCJUWKMLSA-N 1 2 281.268 0.745 20 5 CCBDLO O=C(NCc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000375269623 389656952 /nfs/dbraw/zinc/65/69/52/389656952.db2.gz QWCHPGPKNJIJSD-NXEZZACHSA-N 1 2 264.285 0.501 20 5 CCBDLO CC[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1[nH]cc[nH+]1 ZINC000442805811 389864232 /nfs/dbraw/zinc/86/42/32/389864232.db2.gz ZJUKVGFBFWHHPQ-ZETCQYMHSA-N 1 2 278.272 0.933 20 5 CCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(OC(F)F)C2)c1 ZINC000435870071 389964834 /nfs/dbraw/zinc/96/48/34/389964834.db2.gz LQTNLAGRIDJMHQ-MRVPVSSYSA-N 1 2 292.242 0.076 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446071897 389930059 /nfs/dbraw/zinc/93/00/59/389930059.db2.gz NRYMWLYFQDXWCQ-JTQLQIEISA-N 1 2 268.317 0.921 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000446071897 389930060 /nfs/dbraw/zinc/93/00/60/389930060.db2.gz NRYMWLYFQDXWCQ-JTQLQIEISA-N 1 2 268.317 0.921 20 5 CCBDLO Cc1nc(NCC[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000547706627 390391781 /nfs/dbraw/zinc/39/17/81/390391781.db2.gz BFONLZMEJFAETC-JTQLQIEISA-N 1 2 280.328 0.853 20 5 CCBDLO Cc1nc(NCC[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000547706627 390391785 /nfs/dbraw/zinc/39/17/85/390391785.db2.gz BFONLZMEJFAETC-JTQLQIEISA-N 1 2 280.328 0.853 20 5 CCBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357976430 144139025 /nfs/dbraw/zinc/13/90/25/144139025.db2.gz RHWMFHDCPVSIHJ-ZETCQYMHSA-N 1 2 275.268 0.933 20 5 CCBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357976430 144139026 /nfs/dbraw/zinc/13/90/26/144139026.db2.gz RHWMFHDCPVSIHJ-ZETCQYMHSA-N 1 2 275.268 0.933 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000368513679 144229640 /nfs/dbraw/zinc/22/96/40/144229640.db2.gz HBJKFIKSXIFLTM-CHWSQXEVSA-N 1 2 296.327 0.671 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000368513679 144229641 /nfs/dbraw/zinc/22/96/41/144229641.db2.gz HBJKFIKSXIFLTM-CHWSQXEVSA-N 1 2 296.327 0.671 20 5 CCBDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000368897146 144248754 /nfs/dbraw/zinc/24/87/54/144248754.db2.gz XPFRLEYAAUHCLK-OVWNDWIMSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000368897146 144248756 /nfs/dbraw/zinc/24/87/56/144248756.db2.gz XPFRLEYAAUHCLK-OVWNDWIMSA-N 1 2 286.357 0.634 20 5 CCBDLO CNC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000369122155 144256555 /nfs/dbraw/zinc/25/65/55/144256555.db2.gz NPTBNCDIBODCPX-UHFFFAOYSA-N 1 2 299.356 0.309 20 5 CCBDLO CNC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000369122155 144256557 /nfs/dbraw/zinc/25/65/57/144256557.db2.gz NPTBNCDIBODCPX-UHFFFAOYSA-N 1 2 299.356 0.309 20 5 CCBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000373034240 144389530 /nfs/dbraw/zinc/38/95/30/144389530.db2.gz IAEGUVOXNVZXON-DGIBIBHMSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000373034240 144389531 /nfs/dbraw/zinc/38/95/31/144389531.db2.gz IAEGUVOXNVZXON-DGIBIBHMSA-N 1 2 286.357 0.634 20 5 CCBDLO Cc1nn(C)c(NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000071274404 176106226 /nfs/dbraw/zinc/10/62/26/176106226.db2.gz MPHMHQUPESEYSJ-UHFFFAOYSA-N 1 2 250.262 0.982 20 5 CCBDLO C[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000071862544 176280022 /nfs/dbraw/zinc/28/00/22/176280022.db2.gz HBLRTIDPKGCRSV-UHFFFAOYSA-N 1 2 289.295 0.859 20 5 CCBDLO C[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000071862544 176280025 /nfs/dbraw/zinc/28/00/25/176280025.db2.gz HBLRTIDPKGCRSV-UHFFFAOYSA-N 1 2 289.295 0.859 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000279358897 279316362 /nfs/dbraw/zinc/31/63/62/279316362.db2.gz RNPDOSBNFJFIFS-SNVBAGLBSA-N 1 2 296.327 0.716 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1COC[C@H]1O)CC2 ZINC000361313300 280370580 /nfs/dbraw/zinc/37/05/80/280370580.db2.gz IVUABBUJJMMVDL-CHWSQXEVSA-N 1 2 264.281 0.713 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1COC[C@H]1O)CC2 ZINC000361313300 280370582 /nfs/dbraw/zinc/37/05/82/280370582.db2.gz IVUABBUJJMMVDL-CHWSQXEVSA-N 1 2 264.281 0.713 20 5 CCBDLO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274803604 289072319 /nfs/dbraw/zinc/07/23/19/289072319.db2.gz NKKHBEZIJDRJES-UHFFFAOYSA-N 1 2 265.269 0.686 20 5 CCBDLO C[C@H](C(N)=O)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564678 289393410 /nfs/dbraw/zinc/39/34/10/289393410.db2.gz GPKOJWHXYGIQOH-SNVBAGLBSA-N 1 2 278.312 0.591 20 5 CCBDLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330466929 290600367 /nfs/dbraw/zinc/60/03/67/290600367.db2.gz XFKWCUXWCRUMPJ-UFBFGSQYSA-N 1 2 279.296 0.915 20 5 CCBDLO Cn1cc[nH+]c1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000553429204 334384403 /nfs/dbraw/zinc/38/44/03/334384403.db2.gz TWNFQFFIVJVGRT-UHFFFAOYSA-N 1 2 276.256 0.066 20 5 CCBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])o1 ZINC000456221870 534345161 /nfs/dbraw/zinc/34/51/61/534345161.db2.gz ZMJSOMQXBXICMJ-AOOOYVTPSA-N 1 2 295.295 0.781 20 5 CCBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])o1 ZINC000456221870 534345167 /nfs/dbraw/zinc/34/51/67/534345167.db2.gz ZMJSOMQXBXICMJ-AOOOYVTPSA-N 1 2 295.295 0.781 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000068806414 525575953 /nfs/dbraw/zinc/57/59/53/525575953.db2.gz QPGTWRJYIIUEHB-GFCCVEGCSA-N 1 2 279.344 0.956 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN(C)CC[N@H+]1C ZINC000068806414 525575959 /nfs/dbraw/zinc/57/59/59/525575959.db2.gz QPGTWRJYIIUEHB-GFCCVEGCSA-N 1 2 279.344 0.956 20 5 CCBDLO Cc1noc(C)c1C[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791053864 581206224 /nfs/dbraw/zinc/20/62/24/581206224.db2.gz ILGNGFVOFFJTOA-UHFFFAOYSA-N 1 2 268.317 0.686 20 5 CCBDLO Nc1cc(COC(=O)Cn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000791682562 581229266 /nfs/dbraw/zinc/22/92/66/581229266.db2.gz ULRQWKICFHAZFU-UHFFFAOYSA-N 1 2 277.240 0.512 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000768220945 581648740 /nfs/dbraw/zinc/64/87/40/581648740.db2.gz UYIHFBWOOCNVKJ-UHFFFAOYSA-N 1 2 291.315 0.374 20 5 CCBDLO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000771144793 581793714 /nfs/dbraw/zinc/79/37/14/581793714.db2.gz IIBAYWYRUVMBPR-FQEVSTJZSA-N 1 2 298.368 0.490 20 5 CCBDLO NS(=O)(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000749528989 582011494 /nfs/dbraw/zinc/01/14/94/582011494.db2.gz SBNOSLQCWJYYMN-UHFFFAOYSA-N 1 2 299.352 0.848 20 5 CCBDLO NS(=O)(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000749528989 582011496 /nfs/dbraw/zinc/01/14/96/582011496.db2.gz SBNOSLQCWJYYMN-UHFFFAOYSA-N 1 2 299.352 0.848 20 5 CCBDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583370 582080981 /nfs/dbraw/zinc/08/09/81/582080981.db2.gz DVEASFBSTDBDTF-STQMWFEESA-N 1 2 293.323 0.839 20 5 CCBDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583370 582080982 /nfs/dbraw/zinc/08/09/82/582080982.db2.gz DVEASFBSTDBDTF-STQMWFEESA-N 1 2 293.323 0.839 20 5 CCBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCF)C1 ZINC000950055920 614651302 /nfs/dbraw/zinc/65/13/02/614651302.db2.gz QQICKOBBTJWNAX-GHMZBOCLSA-N 1 2 273.308 0.544 20 5 CCBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCn2ccc([N+](=O)[O-])n2)C1 ZINC000805477501 615173143 /nfs/dbraw/zinc/17/31/43/615173143.db2.gz KPNIILPWUDHFHL-SNVBAGLBSA-N 1 2 298.299 0.055 20 5 CCBDLO CC[N@H+]1CCO[C@@H](C(=O)OCCn2ccc([N+](=O)[O-])n2)C1 ZINC000805477501 615173145 /nfs/dbraw/zinc/17/31/45/615173145.db2.gz KPNIILPWUDHFHL-SNVBAGLBSA-N 1 2 298.299 0.055 20 5 CCBDLO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccco1 ZINC000839465683 615974797 /nfs/dbraw/zinc/97/47/97/615974797.db2.gz ZZFSSRDYKNGYKV-BBBLOLIVSA-N 1 2 267.285 0.664 20 5 CCBDLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000934034800 616674253 /nfs/dbraw/zinc/67/42/53/616674253.db2.gz BLVWPMTXNDGGLX-RKDXNWHRSA-N 1 2 271.273 0.785 20 5 CCBDLO COC(=O)[C@]1(C)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177225328 623370709 /nfs/dbraw/zinc/37/07/09/623370709.db2.gz IVCIZLVKBQWUCK-LLVKDONJSA-N 1 2 268.273 0.634 20 5 CCBDLO COC(=O)[C@]1(C)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177225328 623370713 /nfs/dbraw/zinc/37/07/13/623370713.db2.gz IVCIZLVKBQWUCK-LLVKDONJSA-N 1 2 268.273 0.634 20 5 CCBDLO Cn1cnc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000236132655 623470262 /nfs/dbraw/zinc/47/02/62/623470262.db2.gz YBFRWMAKHHABFM-NSHDSACASA-N 1 2 277.284 0.547 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921414527 638180528 /nfs/dbraw/zinc/18/05/28/638180528.db2.gz PFVIKBWZYNFDIC-LLVKDONJSA-N 1 2 299.352 0.886 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921414527 638180532 /nfs/dbraw/zinc/18/05/32/638180532.db2.gz PFVIKBWZYNFDIC-LLVKDONJSA-N 1 2 299.352 0.886 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+](CCF)C2)n1 ZINC000802234603 640692207 /nfs/dbraw/zinc/69/22/07/640692207.db2.gz FZZAFSLMWWJYBJ-QMMMGPOBSA-N 1 2 286.263 0.529 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+](CCF)C2)n1 ZINC000802234603 640692216 /nfs/dbraw/zinc/69/22/16/640692216.db2.gz FZZAFSLMWWJYBJ-QMMMGPOBSA-N 1 2 286.263 0.529 20 5 CCBDLO NC(=O)[C@@]1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000847055462 643485503 /nfs/dbraw/zinc/48/55/03/643485503.db2.gz ZWQAMHTUTPXXOH-GFCCVEGCSA-N 1 2 299.714 0.982 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000878464333 646913498 /nfs/dbraw/zinc/91/34/98/646913498.db2.gz VVKWOFYVTNNOLG-ZDUSSCGKSA-N 1 2 294.311 0.881 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]12CCOC2=O ZINC000878464333 646913501 /nfs/dbraw/zinc/91/35/01/646913501.db2.gz VVKWOFYVTNNOLG-ZDUSSCGKSA-N 1 2 294.311 0.881 20 5 CCBDLO C[C@@H]1C[N@H+](CCOC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000800127628 647626835 /nfs/dbraw/zinc/62/68/35/647626835.db2.gz WAWSQIDJTRLXKL-SNVBAGLBSA-N 1 2 298.299 0.055 20 5 CCBDLO C[C@@H]1C[N@@H+](CCOC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000800127628 647626836 /nfs/dbraw/zinc/62/68/36/647626836.db2.gz WAWSQIDJTRLXKL-SNVBAGLBSA-N 1 2 298.299 0.055 20 5 CCBDLO COc1ncnc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001156756723 801231253 /nfs/dbraw/zinc/23/12/53/801231253.db2.gz DTSKZUUWYMWDRQ-UHFFFAOYSA-N 1 2 276.256 0.983 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001157940612 801533994 /nfs/dbraw/zinc/53/39/94/801533994.db2.gz DQNCNBRHPLSSBY-UHFFFAOYSA-N 1 2 286.251 0.888 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001161945437 802252973 /nfs/dbraw/zinc/25/29/73/802252973.db2.gz JOWXPEQTWIMCHA-MRVPVSSYSA-N 1 2 268.273 0.601 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228139830 805415540 /nfs/dbraw/zinc/41/55/40/805415540.db2.gz AIRHVPACTXWLJD-QMMMGPOBSA-N 1 2 284.272 0.190 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1CCO ZINC000694927461 811532422 /nfs/dbraw/zinc/53/24/22/811532422.db2.gz OAKVPYLAWIKJGE-NSHDSACASA-N 1 2 284.316 0.183 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1CCO ZINC000694927461 811532427 /nfs/dbraw/zinc/53/24/27/811532427.db2.gz OAKVPYLAWIKJGE-NSHDSACASA-N 1 2 284.316 0.183 20 5 CCBDLO C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000687592556 812617075 /nfs/dbraw/zinc/61/70/75/812617075.db2.gz JTPXXUCCDXWHLQ-VIFPVBQESA-N 1 2 286.719 0.756 20 5 CCBDLO C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000687592556 812617079 /nfs/dbraw/zinc/61/70/79/812617079.db2.gz JTPXXUCCDXWHLQ-VIFPVBQESA-N 1 2 286.719 0.756 20 5 CCBDLO O=C(NCC1C[NH+](Cc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663432 817228981 /nfs/dbraw/zinc/22/89/81/817228981.db2.gz ZJKHKJNBLCRUFX-GHMZBOCLSA-N 1 2 296.352 0.356 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC000094261814 817346695 /nfs/dbraw/zinc/34/66/95/817346695.db2.gz IIDVIGFNWROOLX-QMMMGPOBSA-N 1 2 267.289 0.315 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC000094261814 817346705 /nfs/dbraw/zinc/34/67/05/817346705.db2.gz IIDVIGFNWROOLX-QMMMGPOBSA-N 1 2 267.289 0.315 20 5 CCBDLO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2c[nH+]cn2C)n1 ZINC001132509372 838421491 /nfs/dbraw/zinc/42/14/91/838421491.db2.gz JHSZGPIGNVMOOO-UHFFFAOYSA-N 1 2 275.268 0.962 20 5 CCBDLO Cc1nc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001324486140 912867667 /nfs/dbraw/zinc/86/76/67/912867667.db2.gz IUEAFHWJSFECDD-GXSJLCMTSA-N 1 2 281.316 0.824 20 5 CCBDLO Cc1nc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001324486140 912867687 /nfs/dbraw/zinc/86/76/87/912867687.db2.gz IUEAFHWJSFECDD-GXSJLCMTSA-N 1 2 281.316 0.824 20 5 CCBDLO CCN(CC[NH2+]Cc1csnn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482924520 894701516 /nfs/dbraw/zinc/70/15/16/894701516.db2.gz ITZWVNXPRZJZEJ-NXEZZACHSA-N 1 2 299.356 0.141 20 5 CCBDLO Cc1nn(C)c(C(=O)NCCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC001341867906 922704185 /nfs/dbraw/zinc/70/41/85/922704185.db2.gz HABBEHSTVLGNCI-UHFFFAOYSA-N 1 2 278.272 0.332 20 5 CCBDLO O=C(NCC[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000124623024 187145836 /nfs/dbraw/zinc/14/58/36/187145836.db2.gz MZCPDZSYNCAWCL-UHFFFAOYSA-N 1 2 295.299 0.444 20 5 CCBDLO CCOC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599618716 361761715 /nfs/dbraw/zinc/76/17/15/361761715.db2.gz MKJDPIWEUHSLRW-LBPRGKRZSA-N 1 2 284.316 0.529 20 5 CCBDLO CCOC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599618716 361761720 /nfs/dbraw/zinc/76/17/20/361761720.db2.gz MKJDPIWEUHSLRW-LBPRGKRZSA-N 1 2 284.316 0.529 20 5 CCBDLO Cc1nn(CCC(=O)NCc2[nH]cc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000114125918 349822589 /nfs/dbraw/zinc/82/25/89/349822589.db2.gz GMERUZDYLMEBAH-UHFFFAOYSA-N 1 2 292.299 0.838 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000114340401 349827309 /nfs/dbraw/zinc/82/73/09/349827309.db2.gz RNVMYKIWNCWWRQ-UHFFFAOYSA-N 1 2 261.241 0.951 20 5 CCBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602452619 362624975 /nfs/dbraw/zinc/62/49/75/362624975.db2.gz FDQBGGKFURUEFZ-LLVKDONJSA-N 1 2 295.343 0.819 20 5 CCBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602452619 362624979 /nfs/dbraw/zinc/62/49/79/362624979.db2.gz FDQBGGKFURUEFZ-LLVKDONJSA-N 1 2 295.343 0.819 20 5 CCBDLO Cn1cc(C[N@H+](C)CCN2CCCC2=O)c([N+](=O)[O-])n1 ZINC000602467435 362632766 /nfs/dbraw/zinc/63/27/66/362632766.db2.gz JOGNJUPOBUPAJC-UHFFFAOYSA-N 1 2 281.316 0.383 20 5 CCBDLO Cn1cc(C[N@@H+](C)CCN2CCCC2=O)c([N+](=O)[O-])n1 ZINC000602467435 362632768 /nfs/dbraw/zinc/63/27/68/362632768.db2.gz JOGNJUPOBUPAJC-UHFFFAOYSA-N 1 2 281.316 0.383 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000339204066 215013824 /nfs/dbraw/zinc/01/38/24/215013824.db2.gz YDAJQZVLAINFFS-QWRGUYRKSA-N 1 2 282.296 0.618 20 5 CCBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CCO2 ZINC000602648921 362731100 /nfs/dbraw/zinc/73/11/00/362731100.db2.gz PPJBAOVEYBIHIV-GXFFZTMASA-N 1 2 296.327 0.708 20 5 CCBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CCO2 ZINC000602648921 362731104 /nfs/dbraw/zinc/73/11/04/362731104.db2.gz PPJBAOVEYBIHIV-GXFFZTMASA-N 1 2 296.327 0.708 20 5 CCBDLO CC(=O)N1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602788080 362800270 /nfs/dbraw/zinc/80/02/70/362800270.db2.gz RDLZLZZSAYQSQY-SNVBAGLBSA-N 1 2 295.343 0.652 20 5 CCBDLO CC(=O)N1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602788080 362800275 /nfs/dbraw/zinc/80/02/75/362800275.db2.gz RDLZLZZSAYQSQY-SNVBAGLBSA-N 1 2 295.343 0.652 20 5 CCBDLO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c([N+](=O)[O-])n1 ZINC000602871644 362852743 /nfs/dbraw/zinc/85/27/43/362852743.db2.gz SESQJJPIIGEAQL-ZMFHDSSTSA-N 1 2 270.314 0.034 20 5 CCBDLO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c([N+](=O)[O-])n1 ZINC000602871644 362852746 /nfs/dbraw/zinc/85/27/46/362852746.db2.gz SESQJJPIIGEAQL-ZMFHDSSTSA-N 1 2 270.314 0.034 20 5 CCBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000347582631 137344203 /nfs/dbraw/zinc/34/42/03/137344203.db2.gz JZWFHLANDUVDMN-LLVKDONJSA-N 1 2 296.327 0.764 20 5 CCBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000347582631 137344204 /nfs/dbraw/zinc/34/42/04/137344204.db2.gz JZWFHLANDUVDMN-LLVKDONJSA-N 1 2 296.327 0.764 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCCNc1cccc[nH+]1 ZINC000348045032 137370497 /nfs/dbraw/zinc/37/04/97/137370497.db2.gz OGYCXTNOAQGZBC-UHFFFAOYSA-N 1 2 290.283 0.565 20 5 CCBDLO C[N@@H+](CC(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075715037 349048311 /nfs/dbraw/zinc/04/83/11/349048311.db2.gz AFELVSIDQXYMLP-QMMMGPOBSA-N 1 2 264.232 0.349 20 5 CCBDLO C[N@H+](CC(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075715037 349048312 /nfs/dbraw/zinc/04/83/12/349048312.db2.gz AFELVSIDQXYMLP-QMMMGPOBSA-N 1 2 264.232 0.349 20 5 CCBDLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605849 349369251 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NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153726168 188099872 /nfs/dbraw/zinc/09/98/72/188099872.db2.gz NPTQFQSVIOKQOA-CHWSQXEVSA-N 1 2 293.323 0.968 20 5 CCBDLO NC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153726168 188099873 /nfs/dbraw/zinc/09/98/73/188099873.db2.gz NPTQFQSVIOKQOA-CHWSQXEVSA-N 1 2 293.323 0.968 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1c[nH+]cn1C ZINC000291166791 353771410 /nfs/dbraw/zinc/77/14/10/353771410.db2.gz ILYWOMRMJNJFIL-UHFFFAOYSA-N 1 2 292.299 0.540 20 5 CCBDLO CC[C@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000293275043 353800649 /nfs/dbraw/zinc/80/06/49/353800649.db2.gz STKRRWYEYZOWIS-NSHDSACASA-N 1 2 270.289 0.723 20 5 CCBDLO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000296184004 353935505 /nfs/dbraw/zinc/93/55/05/353935505.db2.gz LVGNXMFBXWJYRC-SNVBAGLBSA-N 1 2 263.297 0.958 20 5 CCBDLO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000296184004 353935508 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O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000339139466 355493325 /nfs/dbraw/zinc/49/33/25/355493325.db2.gz FWTWOTLFHKKBJQ-AAEUAGOBSA-N 1 2 282.296 0.930 20 5 CCBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000352636084 356037845 /nfs/dbraw/zinc/03/78/45/356037845.db2.gz HJFRBIAPUNXBPU-SNVBAGLBSA-N 1 2 266.301 0.544 20 5 CCBDLO C[C@@H]1COCC[N@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000352636084 356037849 /nfs/dbraw/zinc/03/78/49/356037849.db2.gz HJFRBIAPUNXBPU-SNVBAGLBSA-N 1 2 266.301 0.544 20 5 CCBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)Cn1cc[nH+]c1 ZINC000360763429 138009687 /nfs/dbraw/zinc/00/96/87/138009687.db2.gz KUIWTVHGUUXIGR-VIFPVBQESA-N 1 2 292.299 0.591 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCOC[C@H]1C ZINC000609384015 363493896 /nfs/dbraw/zinc/49/38/96/363493896.db2.gz YBVFDYUESROAGE-LLVKDONJSA-N 1 2 280.328 0.853 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCOC[C@H]1C ZINC000609384015 363493901 /nfs/dbraw/zinc/49/39/01/363493901.db2.gz 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ZINC000593503400 360099904 /nfs/dbraw/zinc/09/99/04/360099904.db2.gz JPHLALUADWQDEP-SNVBAGLBSA-N 1 2 282.275 0.384 20 5 CCBDLO O=[N+]([O-])c1cnc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593503400 360099908 /nfs/dbraw/zinc/09/99/08/360099908.db2.gz JPHLALUADWQDEP-SNVBAGLBSA-N 1 2 282.275 0.384 20 5 CCBDLO CN(CCn1cc([N+](=O)[O-])cn1)Cc1[nH]cc[nH+]1 ZINC000595399673 360519642 /nfs/dbraw/zinc/51/96/42/360519642.db2.gz OSEOPAYEBPGCEL-UHFFFAOYSA-N 1 2 250.262 0.646 20 5 CCBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ncc[nH]1 ZINC000595399673 360519650 /nfs/dbraw/zinc/51/96/50/360519650.db2.gz OSEOPAYEBPGCEL-UHFFFAOYSA-N 1 2 250.262 0.646 20 5 CCBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ncc[nH]1 ZINC000595399673 360519656 /nfs/dbraw/zinc/51/96/56/360519656.db2.gz OSEOPAYEBPGCEL-UHFFFAOYSA-N 1 2 250.262 0.646 20 5 CCBDLO Cc1noc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1[N+](=O)[O-] ZINC000595471717 360544468 /nfs/dbraw/zinc/54/44/68/360544468.db2.gz DNFDGVBUSURQCM-HZGVNTEJSA-N 1 2 268.273 0.505 20 5 CCBDLO 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Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000347796806 292586190 /nfs/dbraw/zinc/58/61/90/292586190.db2.gz NGDHJIHURVRYFO-UHFFFAOYSA-N 1 2 292.295 0.449 20 5 CCBDLO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354338737 521855648 /nfs/dbraw/zinc/85/56/48/521855648.db2.gz IGBPQBHUFQNZEG-ZDUSSCGKSA-N 1 2 297.311 0.343 20 5 CCBDLO CC[C@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cn2)CCO1 ZINC000362686719 536143663 /nfs/dbraw/zinc/14/36/63/536143663.db2.gz VGZUOEDUDIHYTP-NSHDSACASA-N 1 2 281.316 0.329 20 5 CCBDLO CC[C@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cn2)CCO1 ZINC000362686719 536143668 /nfs/dbraw/zinc/14/36/68/536143668.db2.gz VGZUOEDUDIHYTP-NSHDSACASA-N 1 2 281.316 0.329 20 5 CCBDLO Cn1cc[nH+]c1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000779633404 581195955 /nfs/dbraw/zinc/19/59/55/581195955.db2.gz BQBUCIBMPNSKAS-UHFFFAOYSA-N 1 2 297.296 0.202 20 5 CCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000781669393 581273401 /nfs/dbraw/zinc/27/34/01/581273401.db2.gz PCYZTZOHULZMNZ-UHFFFAOYSA-N 1 2 277.240 0.626 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)OCCc2c[nH+]cn2C)n1 ZINC000793248754 581289127 /nfs/dbraw/zinc/28/91/27/581289127.db2.gz DCTGIPSGOGOJIQ-UHFFFAOYSA-N 1 2 293.283 0.944 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)OCCc2c[nH+]cn2C)n1 ZINC000793240805 581289195 /nfs/dbraw/zinc/28/91/95/581289195.db2.gz GVLSNHUBIWQEPL-UHFFFAOYSA-N 1 2 279.256 0.461 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1c([N+](=O)[O-])cnn1C ZINC000784917086 581399198 /nfs/dbraw/zinc/39/91/98/581399198.db2.gz BSEQUDZGIMGJAO-SECBINFHSA-N 1 2 298.299 0.206 20 5 CCBDLO O=C(CC[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770861022 581775366 /nfs/dbraw/zinc/77/53/66/581775366.db2.gz GBVHNJODFRJAIB-UHFFFAOYSA-N 1 2 295.295 0.961 20 5 CCBDLO CC(C)(CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)[N+](=O)[O-] ZINC000854352389 614081799 /nfs/dbraw/zinc/08/17/99/614081799.db2.gz BKUQFWKCZCPHAR-LBPRGKRZSA-N 1 2 298.387 0.328 20 5 CCBDLO CC(C)(CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)[N+](=O)[O-] ZINC000854352389 614081801 /nfs/dbraw/zinc/08/18/01/614081801.db2.gz BKUQFWKCZCPHAR-LBPRGKRZSA-N 1 2 298.387 0.328 20 5 CCBDLO CC[C@@H]1COCC[N@@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000872772416 615569368 /nfs/dbraw/zinc/56/93/68/615569368.db2.gz UFVLSOWSMIAQFM-SNVBAGLBSA-N 1 2 283.332 0.851 20 5 CCBDLO CC[C@@H]1COCC[N@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000872772416 615569369 /nfs/dbraw/zinc/56/93/69/615569369.db2.gz UFVLSOWSMIAQFM-SNVBAGLBSA-N 1 2 283.332 0.851 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CC[N+](=O)[O-])O1 ZINC000930350346 616465496 /nfs/dbraw/zinc/46/54/96/616465496.db2.gz GUTYHUJSVUBFTN-ZDCRXTMVSA-N 1 2 272.301 0.447 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CC[N+](=O)[O-])O1 ZINC000930350346 616465498 /nfs/dbraw/zinc/46/54/98/616465498.db2.gz GUTYHUJSVUBFTN-ZDCRXTMVSA-N 1 2 272.301 0.447 20 5 CCBDLO COC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000815137355 616778224 /nfs/dbraw/zinc/77/82/24/616778224.db2.gz RKPSKDQZVLIODA-NWDGAFQWSA-N 1 2 297.311 0.060 20 5 CCBDLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000815137355 616778226 /nfs/dbraw/zinc/77/82/26/616778226.db2.gz RKPSKDQZVLIODA-NWDGAFQWSA-N 1 2 297.311 0.060 20 5 CCBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]2CO)c1 ZINC000902630187 634420233 /nfs/dbraw/zinc/42/02/33/634420233.db2.gz NRWWURBJDXYEBV-NSHDSACASA-N 1 2 262.269 0.969 20 5 CCBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H]2CO)c1 ZINC000902630187 634420241 /nfs/dbraw/zinc/42/02/41/634420241.db2.gz NRWWURBJDXYEBV-NSHDSACASA-N 1 2 262.269 0.969 20 5 CCBDLO C[C@H]1C[N@H+](CCNc2c([N+](=O)[O-])cnn2C)[C@@H](C)CO1 ZINC000894521987 631785184 /nfs/dbraw/zinc/78/51/84/631785184.db2.gz XNIDGDMNWRNAAE-UWVGGRQHSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@H]1C[N@@H+](CCNc2c([N+](=O)[O-])cnn2C)[C@@H](C)CO1 ZINC000894521987 631785192 /nfs/dbraw/zinc/78/51/92/631785192.db2.gz XNIDGDMNWRNAAE-UWVGGRQHSA-N 1 2 283.332 0.849 20 5 CCBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c1 ZINC000913550003 636844589 /nfs/dbraw/zinc/84/45/89/636844589.db2.gz KVLAWZWDULQMJK-NSHDSACASA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](CO)C2)c1 ZINC000913550003 636844592 /nfs/dbraw/zinc/84/45/92/636844592.db2.gz KVLAWZWDULQMJK-NSHDSACASA-N 1 2 293.323 0.652 20 5 CCBDLO CC(=O)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000062351126 637161651 /nfs/dbraw/zinc/16/16/51/637161651.db2.gz RGMURKRIJGUDFU-CQSZACIVSA-N 1 2 293.323 0.792 20 5 CCBDLO C[C@H](COC(=O)C[N@H+](C)[C@@H]1CCSC1)[N+](=O)[O-] ZINC000813109738 641023721 /nfs/dbraw/zinc/02/37/21/641023721.db2.gz VVVQLNGCPIBAJU-RKDXNWHRSA-N 1 2 262.331 0.632 20 5 CCBDLO C[C@H](COC(=O)C[N@@H+](C)[C@@H]1CCSC1)[N+](=O)[O-] ZINC000813109738 641023724 /nfs/dbraw/zinc/02/37/24/641023724.db2.gz VVVQLNGCPIBAJU-RKDXNWHRSA-N 1 2 262.331 0.632 20 5 CCBDLO C[C@@H](C[N+](=O)[O-])OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000814035520 641053526 /nfs/dbraw/zinc/05/35/26/641053526.db2.gz OLFCXIBYZPYUAE-IUCAKERBSA-N 1 2 262.331 0.632 20 5 CCBDLO C[C@@H](C[N+](=O)[O-])OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000814035520 641053529 /nfs/dbraw/zinc/05/35/29/641053529.db2.gz OLFCXIBYZPYUAE-IUCAKERBSA-N 1 2 262.331 0.632 20 5 CCBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@]1(F)CC[NH2+]C1 ZINC000831803456 642397866 /nfs/dbraw/zinc/39/78/66/642397866.db2.gz WWCAINUGCBJBPN-NSHDSACASA-N 1 2 269.232 0.941 20 5 CCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857887745 644572959 /nfs/dbraw/zinc/57/29/59/644572959.db2.gz VBBOJNQEGFXGGC-SSDOTTSWSA-N 1 2 288.267 0.123 20 5 CCBDLO Cc1nn(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000863338702 645083598 /nfs/dbraw/zinc/08/35/98/645083598.db2.gz VPKJQPRBMXFOQV-NXEZZACHSA-N 1 2 280.284 0.470 20 5 CCBDLO Cc1nn(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000863338702 645083603 /nfs/dbraw/zinc/08/36/03/645083603.db2.gz VPKJQPRBMXFOQV-NXEZZACHSA-N 1 2 280.284 0.470 20 5 CCBDLO CC[C@H](C)[C@H]1C[N@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000930080339 648820651 /nfs/dbraw/zinc/82/06/51/648820651.db2.gz POBKYYINUKIRQS-NWDGAFQWSA-N 1 2 288.348 0.572 20 5 CCBDLO CC[C@H](C)[C@H]1C[N@@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000930080339 648820656 /nfs/dbraw/zinc/82/06/56/648820656.db2.gz POBKYYINUKIRQS-NWDGAFQWSA-N 1 2 288.348 0.572 20 5 CCBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+](CCO)CC2)n1 ZINC001141478049 800011020 /nfs/dbraw/zinc/01/10/20/800011020.db2.gz JEMUONZYLVJOGS-UHFFFAOYSA-N 1 2 294.311 0.048 20 5 CCBDLO O=[N+]([O-])c1cc([N+](=O)[O-])n(CCCn2cc[nH+]c2)n1 ZINC001166240134 802893671 /nfs/dbraw/zinc/89/36/71/802893671.db2.gz KPMRFCRHEOMKGD-UHFFFAOYSA-N 1 2 266.217 0.986 20 5 CCBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC001254559607 808260059 /nfs/dbraw/zinc/26/00/59/808260059.db2.gz LFBQUUHTZFBMAY-ZWNOBZJWSA-N 1 2 293.323 0.712 20 5 CCBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001254559607 808260061 /nfs/dbraw/zinc/26/00/61/808260061.db2.gz LFBQUUHTZFBMAY-ZWNOBZJWSA-N 1 2 293.323 0.712 20 5 CCBDLO C[C@H]1C(=O)NCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597575 808266443 /nfs/dbraw/zinc/26/64/43/808266443.db2.gz FKQJOLRFYWAAAY-ZANVPECISA-N 1 2 275.308 0.882 20 5 CCBDLO C[C@H]1C(=O)NCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597575 808266445 /nfs/dbraw/zinc/26/64/45/808266445.db2.gz FKQJOLRFYWAAAY-ZANVPECISA-N 1 2 275.308 0.882 20 5 CCBDLO C[C@@H]1C[N@@H+](CCc2nnc(CC[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258013733 808650395 /nfs/dbraw/zinc/65/03/95/808650395.db2.gz XTCPQZLFBQMQML-AOOOYVTPSA-N 1 2 284.316 0.541 20 5 CCBDLO C[C@@H]1C[N@H+](CCc2nnc(CC[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258013733 808650399 /nfs/dbraw/zinc/65/03/99/808650399.db2.gz XTCPQZLFBQMQML-AOOOYVTPSA-N 1 2 284.316 0.541 20 5 CCBDLO O=C(NCC1C[NH+](Cc2cccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662166 817228010 /nfs/dbraw/zinc/22/80/10/817228010.db2.gz VVDFJYFWAISQBF-CHWSQXEVSA-N 1 2 290.323 0.295 20 5 CCBDLO O=C(Cn1cc[nH+]c1)NCCNc1ncccc1[N+](=O)[O-] ZINC001093700880 841441015 /nfs/dbraw/zinc/44/10/15/841441015.db2.gz LGODOIVTBBFSBM-UHFFFAOYSA-N 1 2 290.283 0.415 20 5 CCBDLO Cc1nnc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC001325303102 913332667 /nfs/dbraw/zinc/33/26/67/913332667.db2.gz OOHMWRUYKYGBAL-SSDOTTSWSA-N 1 2 266.261 0.834 20 5 CCBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001331701628 904006916 /nfs/dbraw/zinc/00/69/16/904006916.db2.gz JMNPYNCSEJFBBS-MNOVXSKESA-N 1 2 267.285 0.165 20 5 CCBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001331701628 904006926 /nfs/dbraw/zinc/00/69/26/904006926.db2.gz JMNPYNCSEJFBBS-MNOVXSKESA-N 1 2 267.285 0.165 20 5 CCBDLO C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001290718107 906141619 /nfs/dbraw/zinc/14/16/19/906141619.db2.gz JTTGJRIPECAHNO-VIFPVBQESA-N 1 2 290.279 0.891 20 5 CCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001338462465 921473916 /nfs/dbraw/zinc/47/39/16/921473916.db2.gz FRGZOFDAQWCGGX-SECBINFHSA-N 1 2 290.283 0.119 20 5 CCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC001350888447 925306007 /nfs/dbraw/zinc/30/60/07/925306007.db2.gz IJHXPAJLOANERR-SNVBAGLBSA-N 1 2 299.352 0.886 20 5 CCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC001350888447 925306014 /nfs/dbraw/zinc/30/60/14/925306014.db2.gz IJHXPAJLOANERR-SNVBAGLBSA-N 1 2 299.352 0.886 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001351288045 925398193 /nfs/dbraw/zinc/39/81/93/925398193.db2.gz NAZRRTHNFYRNAN-VIFPVBQESA-N 1 2 290.283 0.557 20 5 CCBDLO NC(=O)C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599664041 361777214 /nfs/dbraw/zinc/77/72/14/361777214.db2.gz KYUQAFYJRVGDSO-GFCCVEGCSA-N 1 2 279.296 0.671 20 5 CCBDLO NC(=O)C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599664041 361777219 /nfs/dbraw/zinc/77/72/19/361777219.db2.gz KYUQAFYJRVGDSO-GFCCVEGCSA-N 1 2 279.296 0.671 20 5 CCBDLO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600808309 362065884 /nfs/dbraw/zinc/06/58/84/362065884.db2.gz KYFUOKCWAVQICF-NSHDSACASA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600808309 362065887 /nfs/dbraw/zinc/06/58/87/362065887.db2.gz KYFUOKCWAVQICF-NSHDSACASA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000600992766 362120443 /nfs/dbraw/zinc/12/04/43/362120443.db2.gz AHMMBPJQNOJBPJ-UHFFFAOYSA-N 1 2 297.286 0.484 20 5 CCBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602642920 362728680 /nfs/dbraw/zinc/72/86/80/362728680.db2.gz CMIDOJLXCIABPN-ZWNOBZJWSA-N 1 2 296.327 0.708 20 5 CCBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602642920 362728684 /nfs/dbraw/zinc/72/86/84/362728684.db2.gz CMIDOJLXCIABPN-ZWNOBZJWSA-N 1 2 296.327 0.708 20 5 CCBDLO COC[C@@H](C(N)=O)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000339355442 215117630 /nfs/dbraw/zinc/11/76/30/215117630.db2.gz DYOGYUPNBSBMFW-LBPRGKRZSA-N 1 2 297.311 0.406 20 5 CCBDLO COC[C@@H](C(N)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000339355442 215117633 /nfs/dbraw/zinc/11/76/33/215117633.db2.gz DYOGYUPNBSBMFW-LBPRGKRZSA-N 1 2 297.311 0.406 20 5 CCBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602941231 362899556 /nfs/dbraw/zinc/89/95/56/362899556.db2.gz HWBXAMPYIAZCSP-UHFFFAOYSA-N 1 2 264.289 0.992 20 5 CCBDLO Cc1n[nH]cc1C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602941231 362899563 /nfs/dbraw/zinc/89/95/63/362899563.db2.gz HWBXAMPYIAZCSP-UHFFFAOYSA-N 1 2 264.289 0.992 20 5 CCBDLO CN(C)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047742883 348387470 /nfs/dbraw/zinc/38/74/70/348387470.db2.gz XCUGSIKYMOZNRL-UHFFFAOYSA-N 1 2 292.339 0.805 20 5 CCBDLO NC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000051104369 348484961 /nfs/dbraw/zinc/48/49/61/348484961.db2.gz ZZZZGDCXBRDXHY-NSHDSACASA-N 1 2 265.269 0.281 20 5 CCBDLO NC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000051104369 348484963 /nfs/dbraw/zinc/48/49/63/348484963.db2.gz ZZZZGDCXBRDXHY-NSHDSACASA-N 1 2 265.269 0.281 20 5 CCBDLO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(=O)OC ZINC000050066125 348464908 /nfs/dbraw/zinc/46/49/08/348464908.db2.gz FVLXPZNWQDWEAI-UHFFFAOYSA-N 1 2 284.316 0.985 20 5 CCBDLO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(=O)OC ZINC000050066125 348464909 /nfs/dbraw/zinc/46/49/09/348464909.db2.gz FVLXPZNWQDWEAI-UHFFFAOYSA-N 1 2 284.316 0.985 20 5 CCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1[N+](=O)[O-] ZINC000090698537 180026597 /nfs/dbraw/zinc/02/65/97/180026597.db2.gz VWIGPBSCTGBZFX-LLVKDONJSA-N 1 2 290.323 0.324 20 5 CCBDLO COC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000174833071 351105606 /nfs/dbraw/zinc/10/56/06/351105606.db2.gz IXSOKPAWQPTOKK-UHFFFAOYSA-N 1 2 270.289 0.675 20 5 CCBDLO COC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000174833071 351105607 /nfs/dbraw/zinc/10/56/07/351105607.db2.gz IXSOKPAWQPTOKK-UHFFFAOYSA-N 1 2 270.289 0.675 20 5 CCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000230697323 352117687 /nfs/dbraw/zinc/11/76/87/352117687.db2.gz CGGXUEDPOARZGI-UHFFFAOYSA-N 1 2 262.229 0.225 20 5 CCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000230697323 352117690 /nfs/dbraw/zinc/11/76/90/352117690.db2.gz CGGXUEDPOARZGI-UHFFFAOYSA-N 1 2 262.229 0.225 20 5 CCBDLO O=[N+]([O-])c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000236593451 352199716 /nfs/dbraw/zinc/19/97/16/352199716.db2.gz DYIBBJBQQCMBRS-QWRGUYRKSA-N 1 2 272.688 0.786 20 5 CCBDLO Cc1n[nH]c(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000299563545 354027523 /nfs/dbraw/zinc/02/75/23/354027523.db2.gz MCAGVHHOLSZRHH-UHFFFAOYSA-N 1 2 279.300 0.547 20 5 CCBDLO Cc1[nH]nc(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000299563545 354027526 /nfs/dbraw/zinc/02/75/26/354027526.db2.gz MCAGVHHOLSZRHH-UHFFFAOYSA-N 1 2 279.300 0.547 20 5 CCBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000609150145 363475157 /nfs/dbraw/zinc/47/51/57/363475157.db2.gz QNJPVZKZMPVASW-SNVBAGLBSA-N 1 2 266.301 0.544 20 5 CCBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000609150145 363475163 /nfs/dbraw/zinc/47/51/63/363475163.db2.gz QNJPVZKZMPVASW-SNVBAGLBSA-N 1 2 266.301 0.544 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000449412525 236032753 /nfs/dbraw/zinc/03/27/53/236032753.db2.gz FZGIGYSRVMVYBR-NSHDSACASA-N 1 2 268.269 0.494 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000449412525 236032754 /nfs/dbraw/zinc/03/27/54/236032754.db2.gz FZGIGYSRVMVYBR-NSHDSACASA-N 1 2 268.269 0.494 20 5 CCBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC000449646920 236043069 /nfs/dbraw/zinc/04/30/69/236043069.db2.gz COLUASORGATKDT-SSDOTTSWSA-N 1 2 288.254 0.898 20 5 CCBDLO Cc1nc(NCC[N@H+]2CCOC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450319779 236079866 /nfs/dbraw/zinc/07/98/66/236079866.db2.gz ZJPDSFJALMDKGS-SECBINFHSA-N 1 2 281.316 0.248 20 5 CCBDLO Cc1nc(NCC[N@@H+]2CCOC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450319779 236079867 /nfs/dbraw/zinc/07/98/67/236079867.db2.gz ZJPDSFJALMDKGS-SECBINFHSA-N 1 2 281.316 0.248 20 5 CCBDLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000590762145 359519501 /nfs/dbraw/zinc/51/95/01/359519501.db2.gz HNLFORNTCWBXDJ-BXKDBHETSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000590762145 359519503 /nfs/dbraw/zinc/51/95/03/359519503.db2.gz HNLFORNTCWBXDJ-BXKDBHETSA-N 1 2 279.296 0.988 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592558270 359887542 /nfs/dbraw/zinc/88/75/42/359887542.db2.gz HMLCKAACQQYNMB-YNEQXMIYSA-N 1 2 263.253 0.989 20 5 CCBDLO COC(=O)[C@@H]([NH3+])Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594639748 360342188 /nfs/dbraw/zinc/34/21/88/360342188.db2.gz ACMQLIIOZKVEMN-NSHDSACASA-N 1 2 291.267 0.218 20 5 CCBDLO CO[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1O ZINC000595519133 360560157 /nfs/dbraw/zinc/56/01/57/360560157.db2.gz CXRVNCLULQDNOI-HTQZYQBOSA-N 1 2 257.246 0.083 20 5 CCBDLO CO[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1O ZINC000595519133 360560161 /nfs/dbraw/zinc/56/01/61/360560161.db2.gz CXRVNCLULQDNOI-HTQZYQBOSA-N 1 2 257.246 0.083 20 5 CCBDLO Cc1noc(C[N@@H+]2CCOC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000595535084 360571672 /nfs/dbraw/zinc/57/16/72/360571672.db2.gz YWPRWYORTSPPSY-QMMMGPOBSA-N 1 2 257.246 0.084 20 5 CCBDLO Cc1noc(C[N@H+]2CCOC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000595535084 360571681 /nfs/dbraw/zinc/57/16/81/360571681.db2.gz YWPRWYORTSPPSY-QMMMGPOBSA-N 1 2 257.246 0.084 20 5 CCBDLO Cc1noc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000595465585 360542213 /nfs/dbraw/zinc/54/22/13/360542213.db2.gz CLYKOIZBPIKWAG-VHSXEESVSA-N 1 2 285.300 0.863 20 5 CCBDLO Cc1noc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000595465585 360542218 /nfs/dbraw/zinc/54/22/18/360542218.db2.gz CLYKOIZBPIKWAG-VHSXEESVSA-N 1 2 285.300 0.863 20 5 CCBDLO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000595952636 360729733 /nfs/dbraw/zinc/72/97/33/360729733.db2.gz QXKOMBWVAMLVOY-GZMMTYOYSA-N 1 2 281.268 0.603 20 5 CCBDLO CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000595930634 360708950 /nfs/dbraw/zinc/70/89/50/360708950.db2.gz AZSWRHMIQMCECN-VIFPVBQESA-N 1 2 283.284 0.991 20 5 CCBDLO CC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863445 189151505 /nfs/dbraw/zinc/15/15/05/189151505.db2.gz FOCBXKLORPJEEP-STQMWFEESA-N 1 2 293.323 0.839 20 5 CCBDLO CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863445 189151506 /nfs/dbraw/zinc/15/15/06/189151506.db2.gz FOCBXKLORPJEEP-STQMWFEESA-N 1 2 293.323 0.839 20 5 CCBDLO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1[nH+]ccn1C ZINC000596542431 360917963 /nfs/dbraw/zinc/91/79/63/360917963.db2.gz IFNFTBWOVZCAJE-LURJTMIESA-N 1 2 263.261 0.704 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947215 361537723 /nfs/dbraw/zinc/53/77/23/361537723.db2.gz KLYWUBISAAQPBF-VIFPVBQESA-N 1 2 289.295 0.875 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000599160536 361592938 /nfs/dbraw/zinc/59/29/38/361592938.db2.gz LZMCFOUZKAIXRW-VIFPVBQESA-N 1 2 253.262 0.127 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000599160536 361592941 /nfs/dbraw/zinc/59/29/41/361592941.db2.gz LZMCFOUZKAIXRW-VIFPVBQESA-N 1 2 253.262 0.127 20 5 CCBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C[C@@H](O)[C@H]3CCCO3)[nH]c2c1 ZINC000599132754 361583891 /nfs/dbraw/zinc/58/38/91/361583891.db2.gz NUHNOFMZGMUJEB-VXGBXAGGSA-N 1 2 292.295 0.845 20 5 CCBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C[C@@H](O)[C@@H]3CCCO3)[nH]c2c1 ZINC000599132751 361584104 /nfs/dbraw/zinc/58/41/04/361584104.db2.gz NUHNOFMZGMUJEB-NEPJUHHUSA-N 1 2 292.295 0.845 20 5 CCBDLO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276331325 193290078 /nfs/dbraw/zinc/29/00/78/193290078.db2.gz RJKQPGLTANBWCV-UHFFFAOYSA-N 1 2 299.352 0.749 20 5 CCBDLO O=C(NCCCCn1cc[nH+]c1)c1c[nH]nc1[N+](=O)[O-] ZINC000568655374 291613767 /nfs/dbraw/zinc/61/37/67/291613767.db2.gz XEGYTOQSCWNKPC-UHFFFAOYSA-N 1 2 278.272 0.725 20 5 CCBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000264196440 190095450 /nfs/dbraw/zinc/09/54/50/190095450.db2.gz CYVWHHZFBCCFQU-UWVGGRQHSA-N 1 2 296.327 0.762 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(N)=O)CC1 ZINC000430218339 533136342 /nfs/dbraw/zinc/13/63/42/533136342.db2.gz NBFBJWKBDLYRQW-UHFFFAOYSA-N 1 2 265.269 0.711 20 5 CCBDLO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000395351147 285224929 /nfs/dbraw/zinc/22/49/29/285224929.db2.gz FBKIUCDVCIUSGH-VXGBXAGGSA-N 1 2 270.260 0.925 20 5 CCBDLO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000395351147 285224933 /nfs/dbraw/zinc/22/49/33/285224933.db2.gz FBKIUCDVCIUSGH-VXGBXAGGSA-N 1 2 270.260 0.925 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000430240507 285247692 /nfs/dbraw/zinc/24/76/92/285247692.db2.gz PFDBLYYGCMECEB-PHIMTYICSA-N 1 2 268.269 0.141 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000430240507 285247698 /nfs/dbraw/zinc/24/76/98/285247698.db2.gz PFDBLYYGCMECEB-PHIMTYICSA-N 1 2 268.269 0.141 20 5 CCBDLO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000047864958 388883077 /nfs/dbraw/zinc/88/30/77/388883077.db2.gz MYWJFXAAOYOLKW-JTQLQIEISA-N 1 2 279.296 0.990 20 5 CCBDLO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000047864958 388883080 /nfs/dbraw/zinc/88/30/80/388883080.db2.gz MYWJFXAAOYOLKW-JTQLQIEISA-N 1 2 279.296 0.990 20 5 CCBDLO C[C@@H]1C[N@H+](CCn2cccc([N+](=O)[O-])c2=O)CCO1 ZINC000188307038 388923554 /nfs/dbraw/zinc/92/35/54/388923554.db2.gz BIPFNDASUAYYOC-SNVBAGLBSA-N 1 2 267.285 0.477 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2cccc([N+](=O)[O-])c2=O)CCO1 ZINC000188307038 388923557 /nfs/dbraw/zinc/92/35/57/388923557.db2.gz BIPFNDASUAYYOC-SNVBAGLBSA-N 1 2 267.285 0.477 20 5 CCBDLO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262231006 389283737 /nfs/dbraw/zinc/28/37/37/389283737.db2.gz QIPHRRSPTNNIIV-MRVPVSSYSA-N 1 2 265.269 0.721 20 5 CCBDLO Cc1[nH]nc(C(=O)N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000268977845 389397777 /nfs/dbraw/zinc/39/77/77/389397777.db2.gz HUDOGVPPSLGCNM-UHFFFAOYSA-N 1 2 292.299 0.985 20 5 CCBDLO Cc1n[nH]c(C(=O)N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000268977845 389397779 /nfs/dbraw/zinc/39/77/79/389397779.db2.gz HUDOGVPPSLGCNM-UHFFFAOYSA-N 1 2 292.299 0.985 20 5 CCBDLO NC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000350460346 389510618 /nfs/dbraw/zinc/51/06/18/389510618.db2.gz MFQDCEGVYZKAEI-UHFFFAOYSA-N 1 2 276.252 0.972 20 5 CCBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)nc2c1 ZINC000444701892 389914587 /nfs/dbraw/zinc/91/45/87/389914587.db2.gz XDQGNFMKWNBOST-AOOOYVTPSA-N 1 2 279.252 0.273 20 5 CCBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)nc2c1 ZINC000444701892 389914589 /nfs/dbraw/zinc/91/45/89/389914589.db2.gz XDQGNFMKWNBOST-AOOOYVTPSA-N 1 2 279.252 0.273 20 5 CCBDLO C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+](C)C ZINC000448676393 389991056 /nfs/dbraw/zinc/99/10/56/389991056.db2.gz HPAHDMBDRJRJAX-MRVPVSSYSA-N 1 2 267.285 0.980 20 5 CCBDLO O=C1N[C@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000491845600 390117307 /nfs/dbraw/zinc/11/73/07/390117307.db2.gz GJBZRIJVOFKWOR-BDAKNGLRSA-N 1 2 281.272 0.179 20 5 CCBDLO O=C1N[C@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000491845600 390117308 /nfs/dbraw/zinc/11/73/08/390117308.db2.gz GJBZRIJVOFKWOR-BDAKNGLRSA-N 1 2 281.272 0.179 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC000583670127 390304576 /nfs/dbraw/zinc/30/45/76/390304576.db2.gz LKJMHGPFGMEFNJ-UHFFFAOYSA-N 1 2 290.283 0.705 20 5 CCBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356731382 144028155 /nfs/dbraw/zinc/02/81/55/144028155.db2.gz PHTIYMLZHOBNEV-UHFFFAOYSA-N 1 2 292.299 0.687 20 5 CCBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c[nH+]cc2C1 ZINC000357574412 144101600 /nfs/dbraw/zinc/10/16/00/144101600.db2.gz ALHBEKJWCFCCBM-UHFFFAOYSA-N 1 2 288.267 0.305 20 5 CCBDLO Cn1c[nH+]cc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000357879357 144129254 /nfs/dbraw/zinc/12/92/54/144129254.db2.gz BPNGXJRAMAVPCJ-UHFFFAOYSA-N 1 2 293.287 0.024 20 5 CCBDLO Cn1c[nH+]cc1Cc1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000357939897 144135825 /nfs/dbraw/zinc/13/58/25/144135825.db2.gz VTOIFBATRKKBAO-UHFFFAOYSA-N 1 2 289.255 0.547 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000368513682 144229393 /nfs/dbraw/zinc/22/93/93/144229393.db2.gz HBJKFIKSXIFLTM-STQMWFEESA-N 1 2 296.327 0.671 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000368513682 144229395 /nfs/dbraw/zinc/22/93/95/144229395.db2.gz HBJKFIKSXIFLTM-STQMWFEESA-N 1 2 296.327 0.671 20 5 CCBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000548313070 286025887 /nfs/dbraw/zinc/02/58/87/286025887.db2.gz UKILRSVVTIGKEJ-JTQLQIEISA-N 1 2 294.311 0.128 20 5 CCBDLO O=C(NCCNc1cccc[nH+]1)c1c[nH]nc1[N+](=O)[O-] ZINC000549157864 286088395 /nfs/dbraw/zinc/08/83/95/286088395.db2.gz RKDCBVIFIRJOBY-UHFFFAOYSA-N 1 2 276.256 0.555 20 5 CCBDLO C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193148475 228158756 /nfs/dbraw/zinc/15/87/56/228158756.db2.gz KEWMBWZZHHWVCR-UHFFFAOYSA-N 1 2 253.258 0.592 20 5 CCBDLO Nc1nc(-n2c[nH+]c(CCCO)c2)ncc1[N+](=O)[O-] ZINC000609496227 420494577 /nfs/dbraw/zinc/49/45/77/420494577.db2.gz BFMOVFMWZBFRNU-UHFFFAOYSA-N 1 2 264.245 0.078 20 5 CCBDLO COCCOC1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000759047882 581780984 /nfs/dbraw/zinc/78/09/84/581780984.db2.gz IZERRPGXFRUDHO-AWEZNQCLSA-N 1 2 296.323 0.975 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)OCCn1cc[nH+]c1 ZINC000771900405 581833127 /nfs/dbraw/zinc/83/31/27/581833127.db2.gz NJVYIBLOEGOASV-UHFFFAOYSA-N 1 2 265.229 0.231 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)OCCn1cc[nH+]c1 ZINC000772035214 581839195 /nfs/dbraw/zinc/83/91/95/581839195.db2.gz CZJCSIWFIXJQBU-UHFFFAOYSA-N 1 2 265.229 0.382 20 5 CCBDLO CCNC(=O)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579149 582080001 /nfs/dbraw/zinc/08/00/01/582080001.db2.gz KNAVJZQPDACOMY-LBPRGKRZSA-N 1 2 281.312 0.696 20 5 CCBDLO CCNC(=O)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579149 582080002 /nfs/dbraw/zinc/08/00/02/582080002.db2.gz KNAVJZQPDACOMY-LBPRGKRZSA-N 1 2 281.312 0.696 20 5 CCBDLO COC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776584697 582081894 /nfs/dbraw/zinc/08/18/94/582081894.db2.gz OUARQARXFAPCAY-UONOGXRCSA-N 1 2 296.323 0.975 20 5 CCBDLO COC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776584697 582081896 /nfs/dbraw/zinc/08/18/96/582081896.db2.gz OUARQARXFAPCAY-UONOGXRCSA-N 1 2 296.323 0.975 20 5 CCBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC[N+](=O)[O-] ZINC000929765998 615914348 /nfs/dbraw/zinc/91/43/48/615914348.db2.gz HBEQSTFFYTYYEG-NEPJUHHUSA-N 1 2 257.334 0.984 20 5 CCBDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC[N+](=O)[O-] ZINC000929765998 615914349 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20 5 CCBDLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602640008 362727013 /nfs/dbraw/zinc/72/70/13/362727013.db2.gz OESYMURQPJLDRA-NSHDSACASA-N 1 2 297.359 0.481 20 5 CCBDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602640008 362727018 /nfs/dbraw/zinc/72/70/18/362727018.db2.gz OESYMURQPJLDRA-NSHDSACASA-N 1 2 297.359 0.481 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602640008 362727021 /nfs/dbraw/zinc/72/70/21/362727021.db2.gz OESYMURQPJLDRA-NSHDSACASA-N 1 2 297.359 0.481 20 5 CCBDLO CCN1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1=O ZINC000602815574 362815703 /nfs/dbraw/zinc/81/57/03/362815703.db2.gz LVDHTTSSXISMOQ-UHFFFAOYSA-N 1 2 295.343 0.654 20 5 CCBDLO CCN1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1=O ZINC000602815574 362815708 /nfs/dbraw/zinc/81/57/08/362815708.db2.gz LVDHTTSSXISMOQ-UHFFFAOYSA-N 1 2 295.343 0.654 20 5 CCBDLO O=C(NCCCn1cc[nH+]c1)c1[nH]ncc1[N+](=O)[O-] ZINC000343081474 137113794 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C[N@@H+](CC(=O)N1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000061784466 348660247 /nfs/dbraw/zinc/66/02/47/348660247.db2.gz MJIJMIYVBZBRPR-UHFFFAOYSA-N 1 2 293.323 0.885 20 5 CCBDLO C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063444886 348685156 /nfs/dbraw/zinc/68/51/56/348685156.db2.gz YCDDTEWQOTURAY-UHFFFAOYSA-N 1 2 282.275 0.704 20 5 CCBDLO COC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174874357 351109129 /nfs/dbraw/zinc/10/91/29/351109129.db2.gz RJYZNRYBXDWUNE-NSHDSACASA-N 1 2 270.289 0.139 20 5 CCBDLO COC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174874357 351109133 /nfs/dbraw/zinc/10/91/33/351109133.db2.gz RJYZNRYBXDWUNE-NSHDSACASA-N 1 2 270.289 0.139 20 5 CCBDLO O=C1NCC[C@@H]1[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178282308 351226341 /nfs/dbraw/zinc/22/63/41/351226341.db2.gz CKDRICFUIQGXOW-ZDUSSCGKSA-N 1 2 290.323 0.605 20 5 CCBDLO [NH3+]CC(F)(F)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000190249850 351716684 /nfs/dbraw/zinc/71/66/84/351716684.db2.gz JHZYAOHQMXWKII-UHFFFAOYSA-N 1 2 299.237 0.795 20 5 CCBDLO O=C1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000193882161 351847591 /nfs/dbraw/zinc/84/75/91/351847591.db2.gz YEQIPUXTFLEYLU-UHFFFAOYSA-N 1 2 294.267 0.825 20 5 CCBDLO O=C1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 ZINC000193882161 351847593 /nfs/dbraw/zinc/84/75/93/351847593.db2.gz YEQIPUXTFLEYLU-UHFFFAOYSA-N 1 2 294.267 0.825 20 5 CCBDLO Nc1c(C(=O)NCc2c[nH+]c[nH]2)cc(F)cc1[N+](=O)[O-] ZINC000228848394 352084697 /nfs/dbraw/zinc/08/46/97/352084697.db2.gz OHOOSSIUKPLEBH-UHFFFAOYSA-N 1 2 279.231 0.969 20 5 CCBDLO Nc1c(C(=O)NCc2c[nH]c[nH+]2)cc(F)cc1[N+](=O)[O-] ZINC000228848394 352084700 /nfs/dbraw/zinc/08/47/00/352084700.db2.gz OHOOSSIUKPLEBH-UHFFFAOYSA-N 1 2 279.231 0.969 20 5 CCBDLO COc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000234938293 352178732 /nfs/dbraw/zinc/17/87/32/352178732.db2.gz CDPYOHAKCMWNPQ-QWRGUYRKSA-N 1 2 268.269 0.141 20 5 CCBDLO O=C1CC2(CN(c3ccsc3[N+](=O)[O-])C2)[NH2+]CCN1 ZINC000603414750 363120250 /nfs/dbraw/zinc/12/02/50/363120250.db2.gz CQEZHUNVTOCISU-UHFFFAOYSA-N 1 2 282.325 0.325 20 5 CCBDLO C[N@@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269657999 352859757 /nfs/dbraw/zinc/85/97/57/352859757.db2.gz PCQFBJLPZGZVEH-JTQLQIEISA-N 1 2 253.258 0.045 20 5 CCBDLO C[N@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269657999 352859760 /nfs/dbraw/zinc/85/97/60/352859760.db2.gz PCQFBJLPZGZVEH-JTQLQIEISA-N 1 2 253.258 0.045 20 5 CCBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000424191522 235175059 /nfs/dbraw/zinc/17/50/59/235175059.db2.gz NSWHUEVEQDHYAH-ZCFIWIBFSA-N 1 2 289.242 0.293 20 5 CCBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000424191522 235175061 /nfs/dbraw/zinc/17/50/61/235175061.db2.gz NSWHUEVEQDHYAH-ZCFIWIBFSA-N 1 2 289.242 0.293 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOCC12CC2 ZINC000338594274 355374615 /nfs/dbraw/zinc/37/46/15/355374615.db2.gz WTZMMWJWYFCZDV-UHFFFAOYSA-N 1 2 279.296 0.621 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOCC12CC2 ZINC000338594274 355374618 /nfs/dbraw/zinc/37/46/18/355374618.db2.gz WTZMMWJWYFCZDV-UHFFFAOYSA-N 1 2 279.296 0.621 20 5 CCBDLO CC1(C)C[N@H+](CCNc2ccncc2[N+](=O)[O-])CCO1 ZINC000340150904 355512425 /nfs/dbraw/zinc/51/24/25/355512425.db2.gz FXZAMXLIANCHBY-UHFFFAOYSA-N 1 2 280.328 0.934 20 5 CCBDLO CC1(C)C[N@@H+](CCNc2ccncc2[N+](=O)[O-])CCO1 ZINC000340150904 355512427 /nfs/dbraw/zinc/51/24/27/355512427.db2.gz FXZAMXLIANCHBY-UHFFFAOYSA-N 1 2 280.328 0.934 20 5 CCBDLO CNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970740 356008075 /nfs/dbraw/zinc/00/80/75/356008075.db2.gz IIRKIKNVSWSLCN-UHFFFAOYSA-N 1 2 267.285 0.781 20 5 CCBDLO CNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970740 356008076 /nfs/dbraw/zinc/00/80/76/356008076.db2.gz IIRKIKNVSWSLCN-UHFFFAOYSA-N 1 2 267.285 0.781 20 5 CCBDLO CN(C)c1c[nH+]ccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619833837 366362706 /nfs/dbraw/zinc/36/27/06/366362706.db2.gz OTNWNBNFOWXYFC-UHFFFAOYSA-N 1 2 276.256 0.453 20 5 CCBDLO CC(C)(C(=O)NCCc1[nH]cc[nH+]1)n1cc([N+](=O)[O-])cn1 ZINC000359689385 356871812 /nfs/dbraw/zinc/87/18/12/356871812.db2.gz CWKUUOJDJYYIOD-UHFFFAOYSA-N 1 2 292.299 0.608 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378070861 357645194 /nfs/dbraw/zinc/64/51/94/357645194.db2.gz FABMHDREMDSXCS-MWLCHTKSSA-N 1 2 264.285 0.781 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378070861 357645201 /nfs/dbraw/zinc/64/52/01/357645201.db2.gz FABMHDREMDSXCS-MWLCHTKSSA-N 1 2 264.285 0.781 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(F)c1 ZINC000459679487 358280620 /nfs/dbraw/zinc/28/06/20/358280620.db2.gz ODEALDLHFVJODK-MADCSZMMSA-N 1 2 288.250 0.658 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(F)c1 ZINC000459679487 358280623 /nfs/dbraw/zinc/28/06/23/358280623.db2.gz ODEALDLHFVJODK-MADCSZMMSA-N 1 2 288.250 0.658 20 5 CCBDLO O=C(CCOC1C[NH2+]C1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000567822796 358593383 /nfs/dbraw/zinc/59/33/83/358593383.db2.gz UHMOXZCGNYLNMQ-UHFFFAOYSA-N 1 2 281.268 0.617 20 5 CCBDLO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000589209339 359370687 /nfs/dbraw/zinc/37/06/87/359370687.db2.gz GDSXQRFHCBZDTH-VIFPVBQESA-N 1 2 279.296 0.998 20 5 CCBDLO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000589209339 359370693 /nfs/dbraw/zinc/37/06/93/359370693.db2.gz GDSXQRFHCBZDTH-VIFPVBQESA-N 1 2 279.296 0.998 20 5 CCBDLO Cc1noc(C[NH+]2CCC(CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000595292785 360484011 /nfs/dbraw/zinc/48/40/11/360484011.db2.gz AFMUONHMRMTNOW-UHFFFAOYSA-N 1 2 282.300 0.979 20 5 CCBDLO COC1(CO)CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595459893 360540790 /nfs/dbraw/zinc/54/07/90/360540790.db2.gz ASUFOPPNYJNUKH-UHFFFAOYSA-N 1 2 285.300 0.865 20 5 CCBDLO NC(=O)[C@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595562854 360581174 /nfs/dbraw/zinc/58/11/74/360581174.db2.gz RNSQRQVKCMKYFX-LBPRGKRZSA-N 1 2 283.259 0.468 20 5 CCBDLO COC[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000178864075 189151650 /nfs/dbraw/zinc/15/16/50/189151650.db2.gz QXGNQGJGOMTSDJ-KGLIPLIRSA-N 1 2 296.323 0.975 20 5 CCBDLO COC[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000178864075 189151651 /nfs/dbraw/zinc/15/16/51/189151651.db2.gz QXGNQGJGOMTSDJ-KGLIPLIRSA-N 1 2 296.323 0.975 20 5 CCBDLO C[C@@H]1C[N@H+](CCNc2c([N+](=O)[O-])ncn2C)[C@@H](C)CO1 ZINC000596428123 360891844 /nfs/dbraw/zinc/89/18/44/360891844.db2.gz HHHZMUIUBFUBNX-VHSXEESVSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNc2c([N+](=O)[O-])ncn2C)[C@@H](C)CO1 ZINC000596428123 360891848 /nfs/dbraw/zinc/89/18/48/360891848.db2.gz HHHZMUIUBFUBNX-VHSXEESVSA-N 1 2 283.332 0.849 20 5 CCBDLO C[NH+](C)CC1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000597708795 361205036 /nfs/dbraw/zinc/20/50/36/361205036.db2.gz OMKSACNOMFBNGB-UHFFFAOYSA-N 1 2 279.296 0.934 20 5 CCBDLO CN(CC1C[NH+](C)C1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598162691 361346578 /nfs/dbraw/zinc/34/65/78/361346578.db2.gz ZXDCGZYUNFNASF-UHFFFAOYSA-N 1 2 279.296 0.934 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943712 361536193 /nfs/dbraw/zinc/53/61/93/361536193.db2.gz WFCJTRPJQPDJOT-MRVPVSSYSA-N 1 2 275.268 0.485 20 5 CCBDLO CCc1n[nH]c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000598944272 361536447 /nfs/dbraw/zinc/53/64/47/361536447.db2.gz LQNKRSZRJODKNJ-SSDOTTSWSA-N 1 2 290.283 0.432 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000264228638 190097712 /nfs/dbraw/zinc/09/77/12/190097712.db2.gz IAWQNSQHVSCOOH-RKDXNWHRSA-N 1 2 296.331 0.488 20 5 CCBDLO COC(=O)[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000361635942 533194479 /nfs/dbraw/zinc/19/44/79/533194479.db2.gz GPCVYABCZWVFFG-QMMMGPOBSA-N 1 2 256.262 0.285 20 5 CCBDLO COC(=O)[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000361635942 533194486 /nfs/dbraw/zinc/19/44/86/533194486.db2.gz GPCVYABCZWVFFG-QMMMGPOBSA-N 1 2 256.262 0.285 20 5 CCBDLO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159475158 389367527 /nfs/dbraw/zinc/36/75/27/389367527.db2.gz KJMHELTXZLAVNH-CYBMUJFWSA-N 1 2 297.311 0.343 20 5 CCBDLO CC1(C)C[S@](=O)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000348200284 389370163 /nfs/dbraw/zinc/37/01/63/389370163.db2.gz GBOULJHGJHBNBL-LJQANCHMSA-N 1 2 286.357 0.634 20 5 CCBDLO CC1(C)C[S@](=O)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000348200284 389370166 /nfs/dbraw/zinc/37/01/66/389370166.db2.gz GBOULJHGJHBNBL-LJQANCHMSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159739340 389372912 /nfs/dbraw/zinc/37/29/12/389372912.db2.gz QNRJUNKLXLQWRA-JTQLQIEISA-N 1 2 267.285 0.477 20 5 CCBDLO C[C@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159739340 389372915 /nfs/dbraw/zinc/37/29/15/389372915.db2.gz QNRJUNKLXLQWRA-JTQLQIEISA-N 1 2 267.285 0.477 20 5 CCBDLO Cn1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000367719825 389350973 /nfs/dbraw/zinc/35/09/73/389350973.db2.gz IXJQDOGXHHFNIH-UHFFFAOYSA-N 1 2 291.315 0.757 20 5 CCBDLO O=C1NC(=O)N2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000332592767 389354800 /nfs/dbraw/zinc/35/48/00/389354800.db2.gz NWQQFLQAVOUTIV-NSHDSACASA-N 1 2 290.279 0.331 20 5 CCBDLO O=C1NC(=O)N2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000332592767 389354801 /nfs/dbraw/zinc/35/48/01/389354801.db2.gz NWQQFLQAVOUTIV-NSHDSACASA-N 1 2 290.279 0.331 20 5 CCBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279304900 389567099 /nfs/dbraw/zinc/56/70/99/389567099.db2.gz ZUFAICFQUIWKHO-UHFFFAOYSA-N 1 2 282.275 0.704 20 5 CCBDLO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ncn(C)n1 ZINC000444702485 389914739 /nfs/dbraw/zinc/91/47/39/389914739.db2.gz IRKVMUSSZJHCNA-SECBINFHSA-N 1 2 292.299 0.236 20 5 CCBDLO Cn1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nn1 ZINC000544440474 390304972 /nfs/dbraw/zinc/30/49/72/390304972.db2.gz JFWAIQRAPRHMLL-UHFFFAOYSA-N 1 2 274.284 0.677 20 5 CCBDLO Cn1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nn1 ZINC000544440474 390304976 /nfs/dbraw/zinc/30/49/76/390304976.db2.gz JFWAIQRAPRHMLL-UHFFFAOYSA-N 1 2 274.284 0.677 20 5 CCBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000373034239 144389467 /nfs/dbraw/zinc/38/94/67/144389467.db2.gz IAEGUVOXNVZXON-APBUJDDRSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000373034239 144389469 /nfs/dbraw/zinc/38/94/69/144389469.db2.gz IAEGUVOXNVZXON-APBUJDDRSA-N 1 2 286.357 0.634 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000330453458 280369114 /nfs/dbraw/zinc/36/91/14/280369114.db2.gz LKKKLZHMVPPSDM-KOLCDFICSA-N 1 2 268.269 0.228 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000330453458 280369115 /nfs/dbraw/zinc/36/91/15/280369115.db2.gz LKKKLZHMVPPSDM-KOLCDFICSA-N 1 2 268.269 0.228 20 5 CCBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@H](O)[C@@H](O)C3)c2c1 ZINC000413267401 280371421 /nfs/dbraw/zinc/37/14/21/280371421.db2.gz PKSSPYYHPPWKND-RYUDHWBXSA-N 1 2 275.264 0.685 20 5 CCBDLO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272408279 290196039 /nfs/dbraw/zinc/19/60/39/290196039.db2.gz YOJGTVKRRJWDIM-SECBINFHSA-N 1 2 279.296 0.982 20 5 CCBDLO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272408279 290196041 /nfs/dbraw/zinc/19/60/41/290196041.db2.gz YOJGTVKRRJWDIM-SECBINFHSA-N 1 2 279.296 0.982 20 5 CCBDLO NC(=O)C[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000369213164 295046584 /nfs/dbraw/zinc/04/65/84/295046584.db2.gz HBYNSBHXXRTYIA-UHFFFAOYSA-N 1 2 293.327 0.174 20 5 CCBDLO NC(=O)C[N@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000369213164 295046586 /nfs/dbraw/zinc/04/65/86/295046586.db2.gz HBYNSBHXXRTYIA-UHFFFAOYSA-N 1 2 293.327 0.174 20 5 CCBDLO Cc1cc[nH+]c(C)c1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000425586019 534386522 /nfs/dbraw/zinc/38/65/22/534386522.db2.gz JZYCTBAEWYVSAE-UHFFFAOYSA-N 1 2 276.256 0.837 20 5 CCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000156037270 522242897 /nfs/dbraw/zinc/24/28/97/522242897.db2.gz AGRBPIVMJUATCL-GFCCVEGCSA-N 1 2 299.352 0.718 20 5 CCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000156037270 522242904 /nfs/dbraw/zinc/24/29/04/522242904.db2.gz AGRBPIVMJUATCL-GFCCVEGCSA-N 1 2 299.352 0.718 20 5 CCBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCOC1 ZINC000361574821 528760706 /nfs/dbraw/zinc/76/07/06/528760706.db2.gz AAALVONHBDQXHL-VIFPVBQESA-N 1 2 254.290 0.939 20 5 CCBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCOC1 ZINC000361574821 528760712 /nfs/dbraw/zinc/76/07/12/528760712.db2.gz AAALVONHBDQXHL-VIFPVBQESA-N 1 2 254.290 0.939 20 5 CCBDLO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000782612195 581313282 /nfs/dbraw/zinc/31/32/82/581313282.db2.gz BCHBPASSUIGYNS-IINYFYTJSA-N 1 2 291.307 0.848 20 5 CCBDLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000782612195 581313285 /nfs/dbraw/zinc/31/32/85/581313285.db2.gz BCHBPASSUIGYNS-IINYFYTJSA-N 1 2 291.307 0.848 20 5 CCBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795698269 581419651 /nfs/dbraw/zinc/41/96/51/581419651.db2.gz PPKVNIJNHRUALM-RYUDHWBXSA-N 1 2 295.343 0.544 20 5 CCBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795698269 581419652 /nfs/dbraw/zinc/41/96/52/581419652.db2.gz PPKVNIJNHRUALM-RYUDHWBXSA-N 1 2 295.343 0.544 20 5 CCBDLO O=C1OCC[C@H]1[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785857776 581423255 /nfs/dbraw/zinc/42/32/55/581423255.db2.gz PPBHRLIHCXDEFR-SNVBAGLBSA-N 1 2 280.284 0.744 20 5 CCBDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000787321249 581467359 /nfs/dbraw/zinc/46/73/59/581467359.db2.gz UPWYDEZUEBIVOB-SWHYSGLUSA-N 1 2 296.323 0.710 20 5 CCBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000787321249 581467360 /nfs/dbraw/zinc/46/73/60/581467360.db2.gz UPWYDEZUEBIVOB-SWHYSGLUSA-N 1 2 296.323 0.710 20 5 CCBDLO CN1CCC2(CC[NH+](Cn3nccc3[N+](=O)[O-])CC2)C1=O ZINC000773327444 581922087 /nfs/dbraw/zinc/92/20/87/581922087.db2.gz PEJLCLHRDUGOAB-UHFFFAOYSA-N 1 2 293.327 0.693 20 5 CCBDLO CCNC(=O)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750039819 582031469 /nfs/dbraw/zinc/03/14/69/582031469.db2.gz KXPSOYNCBKDJEW-LBPRGKRZSA-N 1 2 281.312 0.696 20 5 CCBDLO CCNC(=O)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750039819 582031472 /nfs/dbraw/zinc/03/14/72/582031472.db2.gz KXPSOYNCBKDJEW-LBPRGKRZSA-N 1 2 281.312 0.696 20 5 CCBDLO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000839484735 614209685 /nfs/dbraw/zinc/20/96/85/614209685.db2.gz GRZBFJPIWPMMNV-UTUOFQBUSA-N 1 2 285.344 0.125 20 5 CCBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000882765212 615326887 /nfs/dbraw/zinc/32/68/87/615326887.db2.gz SRHKNONBZCOILL-NSHDSACASA-N 1 2 299.352 0.967 20 5 CCBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000882765212 615326890 /nfs/dbraw/zinc/32/68/90/615326890.db2.gz SRHKNONBZCOILL-NSHDSACASA-N 1 2 299.352 0.967 20 5 CCBDLO CC[C@H](C)[C@@H]1C[N@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000930080340 615688300 /nfs/dbraw/zinc/68/83/00/615688300.db2.gz POBKYYINUKIRQS-RYUDHWBXSA-N 1 2 288.348 0.572 20 5 CCBDLO CC[C@H](C)[C@@H]1C[N@@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000930080340 615688302 /nfs/dbraw/zinc/68/83/02/615688302.db2.gz POBKYYINUKIRQS-RYUDHWBXSA-N 1 2 288.348 0.572 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000912743945 616229873 /nfs/dbraw/zinc/22/98/73/616229873.db2.gz JWDPETXEUFRKCL-GFCCVEGCSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000912743945 616229874 /nfs/dbraw/zinc/22/98/74/616229874.db2.gz JWDPETXEUFRKCL-GFCCVEGCSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](CO)C1 ZINC000912739180 616230146 /nfs/dbraw/zinc/23/01/46/616230146.db2.gz RYGIYULXWZBWNG-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](CO)C1 ZINC000912739180 616230147 /nfs/dbraw/zinc/23/01/47/616230147.db2.gz RYGIYULXWZBWNG-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000921415374 616304256 /nfs/dbraw/zinc/30/42/56/616304256.db2.gz KSRURNZVKKTPTD-SNVBAGLBSA-N 1 2 285.325 0.577 20 5 CCBDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000921415374 616304259 /nfs/dbraw/zinc/30/42/59/616304259.db2.gz KSRURNZVKKTPTD-SNVBAGLBSA-N 1 2 285.325 0.577 20 5 CCBDLO COCC[NH2+]Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843233007 616511443 /nfs/dbraw/zinc/51/14/43/616511443.db2.gz GBIHDGBMJCSSAT-UHFFFAOYSA-N 1 2 272.305 0.794 20 5 CCBDLO C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1CN(C)CC[N@@H+]1C ZINC000895249461 632035393 /nfs/dbraw/zinc/03/53/93/632035393.db2.gz TXGSFQCZEGWUMB-VHSXEESVSA-N 1 2 282.348 0.375 20 5 CCBDLO C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1CN(C)CC[N@H+]1C ZINC000895249461 632035405 /nfs/dbraw/zinc/03/54/05/632035405.db2.gz TXGSFQCZEGWUMB-VHSXEESVSA-N 1 2 282.348 0.375 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912746418 636666160 /nfs/dbraw/zinc/66/61/60/636666160.db2.gz JWWMJXYXVKOXIO-LBPRGKRZSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912746418 636666164 /nfs/dbraw/zinc/66/61/64/636666164.db2.gz JWWMJXYXVKOXIO-LBPRGKRZSA-N 1 2 293.323 0.652 20 5 CCBDLO CCC(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001002193989 639374611 /nfs/dbraw/zinc/37/46/11/639374611.db2.gz WWEJTOCBWYHARP-UHFFFAOYSA-N 1 2 295.343 0.819 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834600931 642612927 /nfs/dbraw/zinc/61/29/27/642612927.db2.gz WVBRNGGQLUIANL-VPOLOUISSA-N 1 2 271.292 0.296 20 5 CCBDLO Cc1noc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1[N+](=O)[O-] ZINC000852444588 643968973 /nfs/dbraw/zinc/96/89/73/643968973.db2.gz WFRJZIPRGMBLAY-SECBINFHSA-N 1 2 296.283 0.918 20 5 CCBDLO Cc1noc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1[N+](=O)[O-] ZINC000852444588 643968977 /nfs/dbraw/zinc/96/89/77/643968977.db2.gz WFRJZIPRGMBLAY-SECBINFHSA-N 1 2 296.283 0.918 20 5 CCBDLO Cc1nn(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000863337961 645083463 /nfs/dbraw/zinc/08/34/63/645083463.db2.gz ACVSSASSHKESBI-RKDXNWHRSA-N 1 2 266.257 0.162 20 5 CCBDLO Cc1nn(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000863337961 645083468 /nfs/dbraw/zinc/08/34/68/645083468.db2.gz ACVSSASSHKESBI-RKDXNWHRSA-N 1 2 266.257 0.162 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001155193686 800927488 /nfs/dbraw/zinc/92/74/88/800927488.db2.gz JZCAMALDIMPHEH-VIFPVBQESA-N 1 2 297.271 0.641 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001155193686 800927490 /nfs/dbraw/zinc/92/74/90/800927490.db2.gz JZCAMALDIMPHEH-VIFPVBQESA-N 1 2 297.271 0.641 20 5 CCBDLO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001157585419 801426619 /nfs/dbraw/zinc/42/66/19/801426619.db2.gz ISIUKJAZFAIWCJ-SECBINFHSA-N 1 2 293.327 0.847 20 5 CCBDLO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001157585419 801426624 /nfs/dbraw/zinc/42/66/24/801426624.db2.gz ISIUKJAZFAIWCJ-SECBINFHSA-N 1 2 293.327 0.847 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(OC)c([N+](=O)[O-])n2)C[NH2+]1 ZINC001164302083 802713819 /nfs/dbraw/zinc/71/38/19/802713819.db2.gz MNUAPBVHIVBKCY-YUMQZZPRSA-N 1 2 296.283 0.314 20 5 CCBDLO Nc1cc(N2CC[NH2+]CC(F)(F)C2)ncc1[N+](=O)[O-] ZINC001164492656 802747928 /nfs/dbraw/zinc/74/79/28/802747928.db2.gz CSXBMYBQKSEKBS-UHFFFAOYSA-N 1 2 273.243 0.617 20 5 CCBDLO O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2CC[NH2+]C2)[nH]1 ZINC001218180516 803935760 /nfs/dbraw/zinc/93/57/60/803935760.db2.gz YZWYCHXFCZCOQV-QMMMGPOBSA-N 1 2 276.252 0.984 20 5 CCBDLO C[N@@H+]1CCO[C@H](COc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751748 805276551 /nfs/dbraw/zinc/27/65/51/805276551.db2.gz QUSSWGZIUHWMRX-VIFPVBQESA-N 1 2 271.248 0.838 20 5 CCBDLO C[N@H+]1CCO[C@H](COc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751748 805276559 /nfs/dbraw/zinc/27/65/59/805276559.db2.gz QUSSWGZIUHWMRX-VIFPVBQESA-N 1 2 271.248 0.838 20 5 CCBDLO [NH3+][C@@H](CO)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247608694 807469605 /nfs/dbraw/zinc/46/96/05/807469605.db2.gz ROLDHIFBYSPZLK-YFKPBYRVSA-N 1 2 269.192 0.171 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCn2c[nH+]cc21 ZINC001261783344 809088729 /nfs/dbraw/zinc/08/87/29/809088729.db2.gz KMONQDUCSDIFSY-VIFPVBQESA-N 1 2 276.256 0.249 20 5 CCBDLO O=C(NC1C[NH+](CC2=CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030292384 815961226 /nfs/dbraw/zinc/96/12/26/815961226.db2.gz FLNHTTUNPOXQEL-CHWSQXEVSA-N 1 2 279.340 0.952 20 5 CCBDLO [NH3+]Cc1ncn(-c2ccc3[nH]cnc3c2[N+](=O)[O-])n1 ZINC001168756699 819300343 /nfs/dbraw/zinc/30/03/43/819300343.db2.gz JZIKSPXOMIZXJV-UHFFFAOYSA-N 1 2 259.229 0.511 20 5 CCBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000708749843 819779581 /nfs/dbraw/zinc/77/95/81/819779581.db2.gz UBDRRLRFFQRLHX-VXGBXAGGSA-N 1 2 270.260 0.925 20 5 CCBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000708749843 819779583 /nfs/dbraw/zinc/77/95/83/819779583.db2.gz UBDRRLRFFQRLHX-VXGBXAGGSA-N 1 2 270.260 0.925 20 5 CCBDLO Cc1nnc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC001116580188 855791655 /nfs/dbraw/zinc/79/16/55/855791655.db2.gz JGLZWJYQAJRBDW-QMMMGPOBSA-N 1 2 293.283 0.799 20 5 CCBDLO Cc1noc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1[N+](=O)[O-] ZINC001118496606 856316787 /nfs/dbraw/zinc/31/67/87/856316787.db2.gz CPVVEULYYGPSCS-SECBINFHSA-N 1 2 253.258 0.848 20 5 CCBDLO Cc1noc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1[N+](=O)[O-] ZINC001118496606 856316792 /nfs/dbraw/zinc/31/67/92/856316792.db2.gz CPVVEULYYGPSCS-SECBINFHSA-N 1 2 253.258 0.848 20 5 CCBDLO CC(=O)N1C[C@@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001333813818 919185309 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[NH3+]Cc1nc(=O)[nH]n1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157934005 801530046 /nfs/dbraw/zinc/53/00/46/801530046.db2.gz NURJNLOJQJNJFC-UHFFFAOYSA-N 1 2 287.239 0.283 20 5 CCBDLO COc1ncc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001162682567 802387691 /nfs/dbraw/zinc/38/76/91/802387691.db2.gz DKVXQBJDBZQXRA-MRVPVSSYSA-N 1 2 283.288 0.136 20 5 CCBDLO COc1ncc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001162682567 802387699 /nfs/dbraw/zinc/38/76/99/802387699.db2.gz DKVXQBJDBZQXRA-MRVPVSSYSA-N 1 2 283.288 0.136 20 5 CCBDLO COc1cnc(NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162682792 802387863 /nfs/dbraw/zinc/38/78/63/802387863.db2.gz HHAJEAUXEFGNAC-VIFPVBQESA-N 1 2 282.300 0.741 20 5 CCBDLO COc1cnc(NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162682792 802387870 /nfs/dbraw/zinc/38/78/70/802387870.db2.gz HHAJEAUXEFGNAC-VIFPVBQESA-N 1 2 282.300 0.741 20 5 CCBDLO C[N@@H+]1CCO[C@@H](COc2ncccc2[N+](=O)[O-])C1 ZINC001225596837 805143649 /nfs/dbraw/zinc/14/36/49/805143649.db2.gz 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849125371 /nfs/dbraw/zinc/12/53/71/849125371.db2.gz WGLDOMMLSDBTJA-SNVBAGLBSA-N 1 2 269.276 0.847 20 5 CCBDLO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000687596155 849125376 /nfs/dbraw/zinc/12/53/76/849125376.db2.gz WGLDOMMLSDBTJA-SNVBAGLBSA-N 1 2 269.276 0.847 20 5 CCBDLO O=C(NC/C=C\C[NH2+]Cc1nccs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483006987 894794729 /nfs/dbraw/zinc/79/47/29/894794729.db2.gz CLXLZSCFQBKHEX-BSANDHCLSA-N 1 2 296.352 0.570 20 5 CCBDLO CON(C)C(=O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308829706 908439176 /nfs/dbraw/zinc/43/91/76/908439176.db2.gz WFWXNSBVMRLZHY-UHFFFAOYSA-N 1 2 294.267 0.845 20 5 CCBDLO C[NH+](C)Cc1nnc(CCn2cc([N+](=O)[O-])cn2)o1 ZINC001322400829 911787594 /nfs/dbraw/zinc/78/75/94/911787594.db2.gz XASOMSADSUKZSA-UHFFFAOYSA-N 1 2 266.261 0.479 20 5 CCBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c([N+](=O)[O-])cnn1C ZINC001336761604 920989983 /nfs/dbraw/zinc/98/99/83/920989983.db2.gz RLNDBISFKUBVCQ-WDEREUQCSA-N 1 2 295.343 0.628 20 5 CCBDLO 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O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H](O)C2)cc1F ZINC000295720081 353914549 /nfs/dbraw/zinc/91/45/49/353914549.db2.gz VFLVZHBXPWNROW-JTQLQIEISA-N 1 2 270.260 0.927 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1F ZINC000295720081 353914550 /nfs/dbraw/zinc/91/45/50/353914550.db2.gz VFLVZHBXPWNROW-JTQLQIEISA-N 1 2 270.260 0.927 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425496284 235300389 /nfs/dbraw/zinc/30/03/89/235300389.db2.gz ALBFBUMYVDUIFF-SNVBAGLBSA-N 1 2 291.315 0.757 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425496284 235300392 /nfs/dbraw/zinc/30/03/92/235300392.db2.gz ALBFBUMYVDUIFF-SNVBAGLBSA-N 1 2 291.315 0.757 20 5 CCBDLO O=[N+]([O-])c1ccn(-c2cc(-n3cc[nH+]c3)ncn2)n1 ZINC000610129747 363538465 /nfs/dbraw/zinc/53/84/65/363538465.db2.gz LUGKACWWFVZNRJ-UHFFFAOYSA-N 1 2 257.213 0.756 20 5 CCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000359473262 356828241 /nfs/dbraw/zinc/82/82/41/356828241.db2.gz 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/nfs/dbraw/zinc/21/17/84/581211784.db2.gz DSVPKLZKHOVSTG-SECBINFHSA-N 1 2 268.273 0.552 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1c([N+](=O)[O-])cnn1C ZINC000784917094 581399186 /nfs/dbraw/zinc/39/91/86/581399186.db2.gz BSEQUDZGIMGJAO-VIFPVBQESA-N 1 2 298.299 0.206 20 5 CCBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCC[NH+]2CCC2)cs1 ZINC000768867958 581660199 /nfs/dbraw/zinc/66/01/99/581660199.db2.gz UONUSVFLYMBHKT-UHFFFAOYSA-N 1 2 291.354 0.640 20 5 CCBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@@H]2CCO)cc1 ZINC000776600624 582084595 /nfs/dbraw/zinc/08/45/95/582084595.db2.gz BZTZMZDYLOWIRS-UONOGXRCSA-N 1 2 296.323 0.711 20 5 CCBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC[C@@H]2CCO)cc1 ZINC000776600624 582084597 /nfs/dbraw/zinc/08/45/97/582084597.db2.gz BZTZMZDYLOWIRS-UONOGXRCSA-N 1 2 296.323 0.711 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1NCCCCN1CC[NH+](C)CC1 ZINC000891800535 616240744 /nfs/dbraw/zinc/24/07/44/616240744.db2.gz ZWVLYDBKCFMSKF-UHFFFAOYSA-N 1 2 296.375 0.768 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000858770101 616250303 /nfs/dbraw/zinc/25/03/03/616250303.db2.gz JZTCPVIBQGSVBR-SNVBAGLBSA-N 1 2 266.301 0.920 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000858770101 616250304 /nfs/dbraw/zinc/25/03/04/616250304.db2.gz JZTCPVIBQGSVBR-SNVBAGLBSA-N 1 2 266.301 0.920 20 5 CCBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000931675136 616478267 /nfs/dbraw/zinc/47/82/67/616478267.db2.gz CCFABVMGELUJBR-NSHDSACASA-N 1 2 297.311 0.857 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934564755 622754151 /nfs/dbraw/zinc/75/41/51/622754151.db2.gz DQQDSAAGNSEIHP-UWVGGRQHSA-N 1 2 258.253 0.196 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934564755 622754153 /nfs/dbraw/zinc/75/41/53/622754153.db2.gz DQQDSAAGNSEIHP-UWVGGRQHSA-N 1 2 258.253 0.196 20 5 CCBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000154972993 638075015 /nfs/dbraw/zinc/07/50/15/638075015.db2.gz 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CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332670996 389356204 /nfs/dbraw/zinc/35/62/04/389356204.db2.gz QSTYCRNCSNWQPA-VIFPVBQESA-N 1 2 281.316 0.381 20 5 CCBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332670996 389356210 /nfs/dbraw/zinc/35/62/10/389356210.db2.gz QSTYCRNCSNWQPA-VIFPVBQESA-N 1 2 281.316 0.381 20 5 CCBDLO CC1(C)C(=O)NCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269669017 389425730 /nfs/dbraw/zinc/42/57/30/389425730.db2.gz UDRVDLGHSMSUQR-LBPRGKRZSA-N 1 2 293.323 0.839 20 5 CCBDLO CC1(C)C(=O)NCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269669017 389425733 /nfs/dbraw/zinc/42/57/33/389425733.db2.gz UDRVDLGHSMSUQR-LBPRGKRZSA-N 1 2 293.323 0.839 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000524400235 390646271 /nfs/dbraw/zinc/64/62/71/390646271.db2.gz XCIAMSIDZHVYNL-UHFFFAOYSA-N 1 2 261.241 0.817 20 5 CCBDLO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000135032314 289072424 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Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000449777310 533937924 /nfs/dbraw/zinc/93/79/24/533937924.db2.gz UVTWTNOCEIZJRL-GFCCVEGCSA-N 1 2 293.323 0.979 20 5 CCBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000449777310 533937929 /nfs/dbraw/zinc/93/79/29/533937929.db2.gz UVTWTNOCEIZJRL-GFCCVEGCSA-N 1 2 293.323 0.979 20 5 CCBDLO O=C1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000776581572 582080645 /nfs/dbraw/zinc/08/06/45/582080645.db2.gz KIGGFAMACYKKKD-LBPRGKRZSA-N 1 2 279.296 0.450 20 5 CCBDLO O=C1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000776581572 582080647 /nfs/dbraw/zinc/08/06/47/582080647.db2.gz KIGGFAMACYKKKD-LBPRGKRZSA-N 1 2 279.296 0.450 20 5 CCBDLO CN(C)c1cc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc[nH+]1 ZINC000840673133 616005734 /nfs/dbraw/zinc/00/57/34/616005734.db2.gz HZOXZRFGXWLWIJ-NXEZZACHSA-N 1 2 265.269 0.856 20 5 CCBDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000880562326 616560905 /nfs/dbraw/zinc/56/09/05/616560905.db2.gz ZLFPXPKNPHOIDS-CYBMUJFWSA-N 1 2 298.270 0.844 20 5 CCBDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000880562326 616560907 /nfs/dbraw/zinc/56/09/07/616560907.db2.gz ZLFPXPKNPHOIDS-CYBMUJFWSA-N 1 2 298.270 0.844 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000894023166 631503122 /nfs/dbraw/zinc/50/31/22/631503122.db2.gz LQANFNMQOTWTST-NSHDSACASA-N 1 2 295.343 0.629 20 5 CCBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000154916682 638061555 /nfs/dbraw/zinc/06/15/55/638061555.db2.gz APSFUTMYFAZPAT-LLVKDONJSA-N 1 2 291.315 0.753 20 5 CCBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000154916682 638061561 /nfs/dbraw/zinc/06/15/61/638061561.db2.gz APSFUTMYFAZPAT-LLVKDONJSA-N 1 2 291.315 0.753 20 5 CCBDLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000839702888 640350282 /nfs/dbraw/zinc/35/02/82/640350282.db2.gz CJZNULZGZQCJSB-IRCOFANPSA-N 1 2 278.312 0.958 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000840474377 641707673 /nfs/dbraw/zinc/70/76/73/641707673.db2.gz HJGVVTGSYIQKFT-FRRDWIJNSA-N 1 2 275.308 0.825 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834600929 642613630 /nfs/dbraw/zinc/61/36/30/642613630.db2.gz WVBRNGGQLUIANL-GWOFURMSSA-N 1 2 271.292 0.296 20 5 CCBDLO Cn1cc(C[N@@H+]2CCNC(=O)CC2(C)C)c([N+](=O)[O-])n1 ZINC000931202515 648963715 /nfs/dbraw/zinc/96/37/15/648963715.db2.gz XZKKWFHTAOHISG-UHFFFAOYSA-N 1 2 281.316 0.429 20 5 CCBDLO Cn1cc(C[N@H+]2CCNC(=O)CC2(C)C)c([N+](=O)[O-])n1 ZINC000931202515 648963718 /nfs/dbraw/zinc/96/37/18/648963718.db2.gz XZKKWFHTAOHISG-UHFFFAOYSA-N 1 2 281.316 0.429 20 5 CCBDLO O=[N+]([O-])CC[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932831962 649094486 /nfs/dbraw/zinc/09/44/86/649094486.db2.gz VRTWFDBFJFQBPG-UHFFFAOYSA-N 1 2 256.224 0.900 20 5 CCBDLO Cc1noc(C)c1C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266273023 790374748 /nfs/dbraw/zinc/37/47/48/790374748.db2.gz IWGCQCRVUNFNOT-ZYHUDNBSSA-N 1 2 296.327 0.505 20 5 CCBDLO Cc1noc(C)c1C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266273023 790374759 /nfs/dbraw/zinc/37/47/59/790374759.db2.gz IWGCQCRVUNFNOT-ZYHUDNBSSA-N 1 2 296.327 0.505 20 5 CCBDLO CC(=O)NCCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001231045295 805715771 /nfs/dbraw/zinc/71/57/71/805715771.db2.gz KNHOOTCTONAKJS-UHFFFAOYSA-N 1 2 269.305 0.286 20 5 CCBDLO CC(=O)NCCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001231045295 805715777 /nfs/dbraw/zinc/71/57/77/805715777.db2.gz KNHOOTCTONAKJS-UHFFFAOYSA-N 1 2 269.305 0.286 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C[NH2+]1 ZINC001158257078 801606653 /nfs/dbraw/zinc/60/66/53/801606653.db2.gz WUOQRQAOHAYTSJ-SFYZADRCSA-N 1 2 281.272 0.009 20 5 CCBDLO CCn1c[nH+]c2c1CCN(c1ncc([N+](=O)[O-])c(N)n1)C2 ZINC001164206066 802687195 /nfs/dbraw/zinc/68/71/95/802687195.db2.gz OGEFAEZVHFIHGE-UHFFFAOYSA-N 1 2 289.299 0.746 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2nc(OC)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001164300072 802711771 /nfs/dbraw/zinc/71/17/71/802711771.db2.gz FTROIEKGRAJOEX-YUMQZZPRSA-N 1 2 296.283 0.314 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCC[NH+]1CCOCC1 ZINC001210207242 803641685 /nfs/dbraw/zinc/64/16/85/803641685.db2.gz MVYSBUMRMVVCKY-LLVKDONJSA-N 1 2 298.343 0.837 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2nccc(N)c2[N+](=O)[O-])C1 ZINC000311735992 804281689 /nfs/dbraw/zinc/28/16/89/804281689.db2.gz RUXCOUDITSWWQO-MRVPVSSYSA-N 1 2 267.289 0.315 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2nccc(N)c2[N+](=O)[O-])C1 ZINC000311735992 804281694 /nfs/dbraw/zinc/28/16/94/804281694.db2.gz RUXCOUDITSWWQO-MRVPVSSYSA-N 1 2 267.289 0.315 20 5 CCBDLO O=C(NCC[NH2+]Cc1cscn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942699 815352251 /nfs/dbraw/zinc/35/22/51/815352251.db2.gz FFPJGBRJIVVQAM-RKDXNWHRSA-N 1 2 270.314 0.014 20 5 CCBDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634336 813226887 /nfs/dbraw/zinc/22/68/87/813226887.db2.gz UWIXIBALNOXTBN-JTQLQIEISA-N 1 2 253.258 0.699 20 5 CCBDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634336 813226891 /nfs/dbraw/zinc/22/68/91/813226891.db2.gz UWIXIBALNOXTBN-JTQLQIEISA-N 1 2 253.258 0.699 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C)c2C)C[NH2+]1 ZINC001156249109 836118314 /nfs/dbraw/zinc/11/83/14/836118314.db2.gz ZLPZOSZGRNTJJS-UWVGGRQHSA-N 1 2 294.311 0.922 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CCCCCF)CC1 ZINC001112835574 836936092 /nfs/dbraw/zinc/93/60/92/836936092.db2.gz FTPKBUBQLUMLDE-VXGBXAGGSA-N 1 2 287.335 0.936 20 5 CCBDLO CC(C)(CCC(=O)NCCn1cc[nH+]c1)[N+](=O)[O-] ZINC001136211797 839564757 /nfs/dbraw/zinc/56/47/57/839564757.db2.gz GWXPOYBFKXSGRW-UHFFFAOYSA-N 1 2 254.290 0.835 20 5 CCBDLO O=C(Cc1c[nH]c[nH+]1)NCCNc1ncccc1[N+](=O)[O-] ZINC001094150491 841549246 /nfs/dbraw/zinc/54/92/46/841549246.db2.gz LCXLJTLJTACWKA-UHFFFAOYSA-N 1 2 290.283 0.484 20 5 CCBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnnn1C ZINC001198449864 847113302 /nfs/dbraw/zinc/11/33/02/847113302.db2.gz JZFJBOFSAOTYNS-QMMMGPOBSA-N 1 2 262.273 0.969 20 5 CCBDLO CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001053253654 852720399 /nfs/dbraw/zinc/72/03/99/852720399.db2.gz SWZFLUAYXOJJGX-VXGBXAGGSA-N 1 2 297.355 0.365 20 5 CCBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001294283927 900018508 /nfs/dbraw/zinc/01/85/08/900018508.db2.gz OQRLTOTTXNWTDK-UHFFFAOYSA-N 1 2 276.256 0.534 20 5 CCBDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](CC[N+](=O)[O-])C1 ZINC001307930624 908363916 /nfs/dbraw/zinc/36/39/16/908363916.db2.gz WUNMFJPGOIBPSN-JGVFFNPUSA-N 1 2 284.234 0.937 20 5 CCBDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](CC[N+](=O)[O-])C1 ZINC001307930624 908363930 /nfs/dbraw/zinc/36/39/30/908363930.db2.gz WUNMFJPGOIBPSN-JGVFFNPUSA-N 1 2 284.234 0.937 20 5 CCBDLO CCc1nn(C)c(NC[C@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000091670191 349473314 /nfs/dbraw/zinc/47/33/14/349473314.db2.gz IWWOBPPOQRHOAT-JTQLQIEISA-N 1 2 294.359 0.302 20 5 CCBDLO NC(=O)C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599664042 361777919 /nfs/dbraw/zinc/77/79/19/361777919.db2.gz KYUQAFYJRVGDSO-LBPRGKRZSA-N 1 2 279.296 0.671 20 5 CCBDLO NC(=O)C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599664042 361777926 /nfs/dbraw/zinc/77/79/26/361777926.db2.gz KYUQAFYJRVGDSO-LBPRGKRZSA-N 1 2 279.296 0.671 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600422246 361957729 /nfs/dbraw/zinc/95/77/29/361957729.db2.gz TYQKVYYTMYFGMX-GFCCVEGCSA-N 1 2 297.286 0.794 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600422246 361957733 /nfs/dbraw/zinc/95/77/33/361957733.db2.gz TYQKVYYTMYFGMX-GFCCVEGCSA-N 1 2 297.286 0.794 20 5 CCBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800552 362807894 /nfs/dbraw/zinc/80/78/94/362807894.db2.gz AKRZGZKLKBKYMO-DCXZOGHSSA-N 1 2 274.346 0.527 20 5 CCBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800552 362807901 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CCBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1CO ZINC000913543144 616229759 /nfs/dbraw/zinc/22/97/59/616229759.db2.gz AOSXWULHSMXDMM-JTQLQIEISA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1CO ZINC000913543144 616229760 /nfs/dbraw/zinc/22/97/60/616229760.db2.gz AOSXWULHSMXDMM-JTQLQIEISA-N 1 2 297.286 0.482 20 5 CCBDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000878650824 616778785 /nfs/dbraw/zinc/77/87/85/616778785.db2.gz YBGSOOZKWSTMKD-LBPRGKRZSA-N 1 2 281.312 0.835 20 5 CCBDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000878650824 616778787 /nfs/dbraw/zinc/77/87/87/616778787.db2.gz YBGSOOZKWSTMKD-LBPRGKRZSA-N 1 2 281.312 0.835 20 5 CCBDLO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000921414475 638180050 /nfs/dbraw/zinc/18/00/50/638180050.db2.gz NNFVLCRMBYOACE-SNVBAGLBSA-N 1 2 299.352 0.886 20 5 CCBDLO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000921414475 638180059 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/nfs/dbraw/zinc/36/55/58/354365558.db2.gz LKKKLZHMVPPSDM-MWLCHTKSSA-N 1 2 268.269 0.228 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000330453459 354365560 /nfs/dbraw/zinc/36/55/60/354365560.db2.gz LKKKLZHMVPPSDM-MWLCHTKSSA-N 1 2 268.269 0.228 20 5 CCBDLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330466927 354369987 /nfs/dbraw/zinc/36/99/87/354369987.db2.gz XFKWCUXWCRUMPJ-PRHODGIISA-N 1 2 279.296 0.915 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)[S@@]1=O ZINC000331153596 354469527 /nfs/dbraw/zinc/46/95/27/354469527.db2.gz IPUDNDKUEHMWFX-LBUREAQWSA-N 1 2 286.357 0.633 20 5 CCBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)[S@@]1=O ZINC000331153596 354469530 /nfs/dbraw/zinc/46/95/30/354469530.db2.gz IPUDNDKUEHMWFX-LBUREAQWSA-N 1 2 286.357 0.633 20 5 CCBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1COC[C@H]1O ZINC000352798785 356082588 /nfs/dbraw/zinc/08/25/88/356082588.db2.gz XUKGFJNSVAKSJK-WDEREUQCSA-N 1 2 293.279 0.928 20 5 CCBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1COC[C@H]1O ZINC000352798785 356082590 /nfs/dbraw/zinc/08/25/90/356082590.db2.gz XUKGFJNSVAKSJK-WDEREUQCSA-N 1 2 293.279 0.928 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCn1cccn1 ZINC000355932634 356672480 /nfs/dbraw/zinc/67/24/80/356672480.db2.gz MONIMBCLKXNRAT-UHFFFAOYSA-N 1 2 264.289 0.657 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCn1cccn1 ZINC000355932634 356672485 /nfs/dbraw/zinc/67/24/85/356672485.db2.gz MONIMBCLKXNRAT-UHFFFAOYSA-N 1 2 264.289 0.657 20 5 CCBDLO O=[N+]([O-])c1ncn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000376828686 357509168 /nfs/dbraw/zinc/50/91/68/357509168.db2.gz PEORUNYNAAFSTF-DTORHVGOSA-N 1 2 253.262 0.050 20 5 CCBDLO O=[N+]([O-])c1ncn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000376828686 357509175 /nfs/dbraw/zinc/50/91/75/357509175.db2.gz PEORUNYNAAFSTF-DTORHVGOSA-N 1 2 253.262 0.050 20 5 CCBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCO ZINC000447802284 235971120 /nfs/dbraw/zinc/97/11/20/235971120.db2.gz JFTQHTYDAOXIFH-UHFFFAOYSA-N 1 2 281.312 0.831 20 5 CCBDLO CNC(=O)C[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283459486 283320575 /nfs/dbraw/zinc/32/05/75/283320575.db2.gz FGQQATMUZQAOEH-UHFFFAOYSA-N 1 2 293.327 0.045 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000593037344 360018955 /nfs/dbraw/zinc/01/89/55/360018955.db2.gz XARVBEFXHRFKHP-ZWNOBZJWSA-N 1 2 282.296 0.476 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000593037344 360018959 /nfs/dbraw/zinc/01/89/59/360018959.db2.gz XARVBEFXHRFKHP-ZWNOBZJWSA-N 1 2 282.296 0.476 20 5 CCBDLO NC(=O)C1(O)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593031544 360019128 /nfs/dbraw/zinc/01/91/28/360019128.db2.gz ZYRFSVMRCGGJPM-UHFFFAOYSA-N 1 2 295.295 0.113 20 5 CCBDLO NC(=O)C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595429244 360530164 /nfs/dbraw/zinc/53/01/64/360530164.db2.gz QPIYMXMJOFWKHK-UHFFFAOYSA-N 1 2 253.233 0.841 20 5 CCBDLO Cc1noc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595471718 360543474 /nfs/dbraw/zinc/54/34/74/360543474.db2.gz DNFDGVBUSURQCM-IMTBSYHQSA-N 1 2 268.273 0.505 20 5 CCBDLO C[C@@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1=O ZINC000595713553 360628084 /nfs/dbraw/zinc/62/80/84/360628084.db2.gz KCOSSENXNNSWCN-NXEZZACHSA-N 1 2 266.301 0.948 20 5 CCBDLO C[C@@H]1C[N@H+](CCNc2ccc(N)c([N+](=O)[O-])n2)CCO1 ZINC000596101878 360795750 /nfs/dbraw/zinc/79/57/50/360795750.db2.gz MFIHGYRRXWCMLM-SECBINFHSA-N 1 2 281.316 0.127 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNc2ccc(N)c([N+](=O)[O-])n2)CCO1 ZINC000596101878 360795755 /nfs/dbraw/zinc/79/57/55/360795755.db2.gz MFIHGYRRXWCMLM-SECBINFHSA-N 1 2 281.316 0.127 20 5 CCBDLO C[C@H]1COCC[N@@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596113131 360798737 /nfs/dbraw/zinc/79/87/37/360798737.db2.gz NCNAAGBKYKKOTI-VIFPVBQESA-N 1 2 282.300 0.828 20 5 CCBDLO C[C@H]1COCC[N@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596113131 360798742 /nfs/dbraw/zinc/79/87/42/360798742.db2.gz NCNAAGBKYKKOTI-VIFPVBQESA-N 1 2 282.300 0.828 20 5 CCBDLO O=c1[nH]ccc(N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000596162483 360817887 /nfs/dbraw/zinc/81/78/87/360817887.db2.gz LAGZLKMSMXNFCV-UHFFFAOYSA-N 1 2 261.241 0.953 20 5 CCBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598738085 361502443 /nfs/dbraw/zinc/50/24/43/361502443.db2.gz FCWCAWCAXSWIMQ-SECBINFHSA-N 1 2 292.299 0.885 20 5 CCBDLO Nc1ncc2c(n1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000598946547 361537769 /nfs/dbraw/zinc/53/77/69/361537769.db2.gz GIWNISMOTAWHDC-UHFFFAOYSA-N 1 2 289.299 0.052 20 5 CCBDLO Nc1ncc2c(n1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000598946547 361537774 /nfs/dbraw/zinc/53/77/74/361537774.db2.gz GIWNISMOTAWHDC-UHFFFAOYSA-N 1 2 289.299 0.052 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000599161414 361592376 /nfs/dbraw/zinc/59/23/76/361592376.db2.gz YZZRCZWZOGRWQN-SECBINFHSA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000599161414 361592383 /nfs/dbraw/zinc/59/23/83/361592383.db2.gz YZZRCZWZOGRWQN-SECBINFHSA-N 1 2 252.274 0.732 20 5 CCBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1CCO ZINC000614895367 364772087 /nfs/dbraw/zinc/77/20/87/364772087.db2.gz QMNPNIUAXWNCKG-UHFFFAOYSA-N 1 2 297.311 0.717 20 5 CCBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1CCO ZINC000614895367 364772090 /nfs/dbraw/zinc/77/20/90/364772090.db2.gz QMNPNIUAXWNCKG-UHFFFAOYSA-N 1 2 297.311 0.717 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(F)c1 ZINC000459679484 249051508 /nfs/dbraw/zinc/05/15/08/249051508.db2.gz ODEALDLHFVJODK-JMCQJSRRSA-N 1 2 288.250 0.658 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(F)c1 ZINC000459679484 249051509 /nfs/dbraw/zinc/05/15/09/249051509.db2.gz ODEALDLHFVJODK-JMCQJSRRSA-N 1 2 288.250 0.658 20 5 CCBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[NH2+]C1 ZINC000262284190 389284517 /nfs/dbraw/zinc/28/45/17/389284517.db2.gz XOOQUWUVYBMXOH-VIFPVBQESA-N 1 2 265.269 0.734 20 5 CCBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H](O)[C@@H](O)C3)c2c1 ZINC000413267403 389487821 /nfs/dbraw/zinc/48/78/21/389487821.db2.gz PKSSPYYHPPWKND-TXEJJXNPSA-N 1 2 275.264 0.685 20 5 CCBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000436954945 389987606 /nfs/dbraw/zinc/98/76/06/389987606.db2.gz JCOTWWYVGMCNNR-MRVPVSSYSA-N 1 2 267.285 0.980 20 5 CCBDLO O=C1OCC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000494085857 390147658 /nfs/dbraw/zinc/14/76/58/390147658.db2.gz MQBZRPHWQNKFDH-JTQLQIEISA-N 1 2 295.299 0.318 20 5 CCBDLO O=C1OCC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000494085857 390147661 /nfs/dbraw/zinc/14/76/61/390147661.db2.gz MQBZRPHWQNKFDH-JTQLQIEISA-N 1 2 295.299 0.318 20 5 CCBDLO CO[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000451753503 533479590 /nfs/dbraw/zinc/47/95/90/533479590.db2.gz BQGSJBZVYPQREI-ZYHUDNBSSA-N 1 2 293.279 0.928 20 5 CCBDLO CO[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000451753503 533479596 /nfs/dbraw/zinc/47/95/96/533479596.db2.gz BQGSJBZVYPQREI-ZYHUDNBSSA-N 1 2 293.279 0.928 20 5 CCBDLO CO[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000449573622 533480826 /nfs/dbraw/zinc/48/08/26/533480826.db2.gz SXMVHMJRRHRKTA-RKDXNWHRSA-N 1 2 258.299 0.848 20 5 CCBDLO CO[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000449573622 533480829 /nfs/dbraw/zinc/48/08/29/533480829.db2.gz SXMVHMJRRHRKTA-RKDXNWHRSA-N 1 2 258.299 0.848 20 5 CCBDLO CC(=O)N1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000357312108 144081179 /nfs/dbraw/zinc/08/11/79/144081179.db2.gz UIXOVCWCNOYQNG-SNVBAGLBSA-N 1 2 281.316 0.344 20 5 CCBDLO CC(=O)N1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000357312108 144081181 /nfs/dbraw/zinc/08/11/81/144081181.db2.gz UIXOVCWCNOYQNG-SNVBAGLBSA-N 1 2 281.316 0.344 20 5 CCBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000577756031 335397869 /nfs/dbraw/zinc/39/78/69/335397869.db2.gz OCYUTGWAZRZTQI-GFCCVEGCSA-N 1 2 294.311 0.906 20 5 CCBDLO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000577756031 335397870 /nfs/dbraw/zinc/39/78/70/335397870.db2.gz OCYUTGWAZRZTQI-GFCCVEGCSA-N 1 2 294.311 0.906 20 5 CCBDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270871819 518178506 /nfs/dbraw/zinc/17/85/06/518178506.db2.gz LXUAEPSXARTACK-LLVKDONJSA-N 1 2 293.323 0.620 20 5 CCBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000426083342 534778341 /nfs/dbraw/zinc/77/83/41/534778341.db2.gz GJTIDOASCZKRIC-MRVPVSSYSA-N 1 2 275.268 0.864 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000068806422 525576812 /nfs/dbraw/zinc/57/68/12/525576812.db2.gz QPGTWRJYIIUEHB-LBPRGKRZSA-N 1 2 279.344 0.956 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000068806422 525576817 /nfs/dbraw/zinc/57/68/17/525576817.db2.gz QPGTWRJYIIUEHB-LBPRGKRZSA-N 1 2 279.344 0.956 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000788383691 581109701 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COC(=O)[C@H]1[C@@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]21 ZINC000793643930 581306307 /nfs/dbraw/zinc/30/63/07/581306307.db2.gz NXMVOQUKYSDMOW-MBTKJCJQSA-N 1 2 266.257 0.100 20 5 CCBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]21 ZINC000793643930 581306309 /nfs/dbraw/zinc/30/63/09/581306309.db2.gz NXMVOQUKYSDMOW-MBTKJCJQSA-N 1 2 266.257 0.100 20 5 CCBDLO COCC1(O)CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000758370281 581742243 /nfs/dbraw/zinc/74/22/43/581742243.db2.gz HPDFOWBLAJSANF-UHFFFAOYSA-N 1 2 270.289 0.222 20 5 CCBDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000742559061 581785442 /nfs/dbraw/zinc/78/54/42/581785442.db2.gz SBRYGANTZLMNRB-LLVKDONJSA-N 1 2 281.316 0.597 20 5 CCBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000742559061 581785444 /nfs/dbraw/zinc/78/54/44/581785444.db2.gz SBRYGANTZLMNRB-LLVKDONJSA-N 1 2 281.316 0.597 20 5 CCBDLO Cn1c[nH+]cc1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000747780694 581952409 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CCBDLO CC[N@H+](CCC(=O)OC)Cn1nccc1[N+](=O)[O-] ZINC000151978992 615036226 /nfs/dbraw/zinc/03/62/26/615036226.db2.gz UUTOUFKWOSJFQC-UHFFFAOYSA-N 1 2 256.262 0.634 20 5 CCBDLO CC[N@@H+](CCC(=O)OC)Cn1nccc1[N+](=O)[O-] ZINC000151978992 615036228 /nfs/dbraw/zinc/03/62/28/615036228.db2.gz UUTOUFKWOSJFQC-UHFFFAOYSA-N 1 2 256.262 0.634 20 5 CCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000840568786 615867512 /nfs/dbraw/zinc/86/75/12/615867512.db2.gz UXKXMYTZNCNUGV-GHMZBOCLSA-N 1 2 285.344 0.221 20 5 CCBDLO CC[C@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000872772627 615930120 /nfs/dbraw/zinc/93/01/20/615930120.db2.gz XEAQXQASHKMOTK-JTQLQIEISA-N 1 2 281.316 0.908 20 5 CCBDLO CC[C@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000872772627 615930121 /nfs/dbraw/zinc/93/01/21/615930121.db2.gz XEAQXQASHKMOTK-JTQLQIEISA-N 1 2 281.316 0.908 20 5 CCBDLO C[NH+](C)C[C@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843118494 615938910 /nfs/dbraw/zinc/93/89/10/615938910.db2.gz 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CCBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@H](CO)C1)C2 ZINC001254600684 808266256 /nfs/dbraw/zinc/26/62/56/808266256.db2.gz VDZOFVFODAOWRC-KBPBESRZSA-N 1 2 278.308 0.755 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@H](CO)C1)C2 ZINC001254600684 808266260 /nfs/dbraw/zinc/26/62/60/808266260.db2.gz VDZOFVFODAOWRC-KBPBESRZSA-N 1 2 278.308 0.755 20 5 CCBDLO Cc1cnc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001264984844 809687223 /nfs/dbraw/zinc/68/72/23/809687223.db2.gz CGDCLYJSYIRJBJ-GHMZBOCLSA-N 1 2 296.327 0.586 20 5 CCBDLO Cc1cnc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001264984844 809687225 /nfs/dbraw/zinc/68/72/25/809687225.db2.gz CGDCLYJSYIRJBJ-GHMZBOCLSA-N 1 2 296.327 0.586 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001168761820 819954316 /nfs/dbraw/zinc/95/43/16/819954316.db2.gz WOJOSBRCUNOWIB-UHFFFAOYSA-N 1 2 286.251 0.888 20 5 CCBDLO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001169013014 836100458 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O=C(NOCCO)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001296719939 906952054 /nfs/dbraw/zinc/95/20/54/906952054.db2.gz HGKIJSBFBBLCGX-UHFFFAOYSA-N 1 2 292.251 0.434 20 5 CCBDLO C[N@H+](CCNS(C)(=O)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001318521221 909800304 /nfs/dbraw/zinc/80/03/04/909800304.db2.gz KKHWAUROOSNXQP-UHFFFAOYSA-N 1 2 287.341 0.576 20 5 CCBDLO C[N@@H+](CCNS(C)(=O)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001318521221 909800315 /nfs/dbraw/zinc/80/03/15/909800315.db2.gz KKHWAUROOSNXQP-UHFFFAOYSA-N 1 2 287.341 0.576 20 5 CCBDLO Cc1nn(C)c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC001319873088 910328326 /nfs/dbraw/zinc/32/83/26/910328326.db2.gz GNZXONZNXSLDNL-QMMMGPOBSA-N 1 2 292.299 0.652 20 5 CCBDLO Cc1nc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC001320235882 910547000 /nfs/dbraw/zinc/54/70/00/910547000.db2.gz QFUDYIXTDQKOCN-XVKPBYJWSA-N 1 2 296.287 0.194 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001321505051 911334949 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Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000599543762 361733948 /nfs/dbraw/zinc/73/39/48/361733948.db2.gz WYZZHQWLZNYCSD-XWIASGKRSA-N 1 2 293.323 0.885 20 5 CCBDLO O=[N+]([O-])c1ccc(C[NH+](CCO)CCO)c([N+](=O)[O-])c1 ZINC000090360428 349436042 /nfs/dbraw/zinc/43/60/42/349436042.db2.gz GIMLMLBHQDDFGC-UHFFFAOYSA-N 1 2 285.256 0.290 20 5 CCBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000600208573 361891313 /nfs/dbraw/zinc/89/13/13/361891313.db2.gz MRGUVIODLZUKCX-LBPRGKRZSA-N 1 2 293.323 0.979 20 5 CCBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000600208573 361891317 /nfs/dbraw/zinc/89/13/17/361891317.db2.gz MRGUVIODLZUKCX-LBPRGKRZSA-N 1 2 293.323 0.979 20 5 CCBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCO1 ZINC000428067247 529393437 /nfs/dbraw/zinc/39/34/37/529393437.db2.gz RUNBKSGHSFIZPI-SECBINFHSA-N 1 2 297.315 0.159 20 5 CCBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCO1 ZINC000428067247 529393439 /nfs/dbraw/zinc/39/34/39/529393439.db2.gz RUNBKSGHSFIZPI-SECBINFHSA-N 1 2 297.315 0.159 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601202494 362175814 /nfs/dbraw/zinc/17/58/14/362175814.db2.gz BDTWJABJBZGTEP-VIFPVBQESA-N 1 2 270.264 0.871 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601202494 362175819 /nfs/dbraw/zinc/17/58/19/362175819.db2.gz BDTWJABJBZGTEP-VIFPVBQESA-N 1 2 270.264 0.871 20 5 CCBDLO COC(=O)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000119164502 349921772 /nfs/dbraw/zinc/92/17/72/349921772.db2.gz PHSLJDIZSMFHDV-JTQLQIEISA-N 1 2 270.289 0.579 20 5 CCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCCc1[nH]cc[nH+]1 ZINC000345157707 137237653 /nfs/dbraw/zinc/23/76/53/137237653.db2.gz HHKZBYCLSJBDBM-UHFFFAOYSA-N 1 2 278.272 0.263 20 5 CCBDLO NC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051104425 348484866 /nfs/dbraw/zinc/48/48/66/348484866.db2.gz YIORWTBHPFGIDC-LLVKDONJSA-N 1 2 265.269 0.281 20 5 CCBDLO NC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051104425 348484869 /nfs/dbraw/zinc/48/48/69/348484869.db2.gz YIORWTBHPFGIDC-LLVKDONJSA-N 1 2 265.269 0.281 20 5 CCBDLO COC(=O)[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000050050539 348464256 /nfs/dbraw/zinc/46/42/56/348464256.db2.gz HMTPANQFSAFESV-JTQLQIEISA-N 1 2 282.300 0.737 20 5 CCBDLO COC(=O)[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000050050539 348464257 /nfs/dbraw/zinc/46/42/57/348464257.db2.gz HMTPANQFSAFESV-JTQLQIEISA-N 1 2 282.300 0.737 20 5 CCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cccc([N+](=O)[O-])c1 ZINC000090698539 180026904 /nfs/dbraw/zinc/02/69/04/180026904.db2.gz VCKVLILIDZPCEA-CYBMUJFWSA-N 1 2 290.323 0.324 20 5 CCBDLO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000162625930 350747834 /nfs/dbraw/zinc/74/78/34/350747834.db2.gz GZDMOYMIJHQNIB-UHFFFAOYSA-N 1 2 295.267 0.467 20 5 CCBDLO CC[C@H](C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000171074143 350882695 /nfs/dbraw/zinc/88/26/95/350882695.db2.gz ZXRNAHUTJKPFTO-CYBMUJFWSA-N 1 2 292.339 0.981 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246969 351164861 /nfs/dbraw/zinc/16/48/61/351164861.db2.gz WUROBMCVSAVFFB-UWVGGRQHSA-N 1 2 298.299 0.054 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246969 351164864 /nfs/dbraw/zinc/16/48/64/351164864.db2.gz WUROBMCVSAVFFB-UWVGGRQHSA-N 1 2 298.299 0.054 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179175574 351259747 /nfs/dbraw/zinc/25/97/47/351259747.db2.gz JSSWYCQBGGYDNW-RKDXNWHRSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179175574 351259749 /nfs/dbraw/zinc/25/97/49/351259749.db2.gz JSSWYCQBGGYDNW-RKDXNWHRSA-N 1 2 270.260 0.661 20 5 CCBDLO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182153069 351348662 /nfs/dbraw/zinc/34/86/62/351348662.db2.gz VPAPOZCWKYGWLH-ZDUSSCGKSA-N 1 2 297.311 0.343 20 5 CCBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1 ZINC000122525606 187036320 /nfs/dbraw/zinc/03/63/20/187036320.db2.gz UPTVPRPAOZICPW-SKDRFNHKSA-N 1 2 279.296 0.669 20 5 CCBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1 ZINC000122525606 187036321 /nfs/dbraw/zinc/03/63/21/187036321.db2.gz UPTVPRPAOZICPW-SKDRFNHKSA-N 1 2 279.296 0.669 20 5 CCBDLO Nc1c(C(=O)NCc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000122820823 187053668 /nfs/dbraw/zinc/05/36/68/187053668.db2.gz BRBNFTHFGZWSTM-UHFFFAOYSA-N 1 2 261.241 0.830 20 5 CCBDLO COc1cc(N2CC[NH+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000266132537 352684530 /nfs/dbraw/zinc/68/45/30/352684530.db2.gz DLLVYPIYDHJGFL-UHFFFAOYSA-N 1 2 294.311 0.211 20 5 CCBDLO NC(=O)N[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000270769838 352982026 /nfs/dbraw/zinc/98/20/26/352982026.db2.gz ROUGBMWXUSIHRH-MRVPVSSYSA-N 1 2 270.314 0.899 20 5 CCBDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000270769838 352982031 /nfs/dbraw/zinc/98/20/31/352982031.db2.gz ROUGBMWXUSIHRH-MRVPVSSYSA-N 1 2 270.314 0.899 20 5 CCBDLO O=C(NCc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000557189165 291025271 /nfs/dbraw/zinc/02/52/71/291025271.db2.gz IFIKKZXSGWJIJF-UHFFFAOYSA-N 1 2 290.283 0.781 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627352 355383773 /nfs/dbraw/zinc/38/37/73/355383773.db2.gz WFJBVQQMJYLKIL-LBPRGKRZSA-N 1 2 285.275 0.163 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627352 355383777 /nfs/dbraw/zinc/38/37/77/355383777.db2.gz WFJBVQQMJYLKIL-LBPRGKRZSA-N 1 2 285.275 0.163 20 5 CCBDLO C[NH+](C)CCn1ccc(=NC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]1 ZINC000338815409 355427157 /nfs/dbraw/zinc/42/71/57/355427157.db2.gz JNPMBLAILAGBJM-UHFFFAOYSA-N 1 2 292.299 0.355 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000339139468 355493841 /nfs/dbraw/zinc/49/38/41/355493841.db2.gz FWTWOTLFHKKBJQ-WCQYABFASA-N 1 2 282.296 0.930 20 5 CCBDLO C[C@@H](O)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339115063 355489406 /nfs/dbraw/zinc/48/94/06/355489406.db2.gz YAQLGMVKLVOYIL-VHSXEESVSA-N 1 2 284.312 0.864 20 5 CCBDLO C[C@@H](O)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339115063 355489412 /nfs/dbraw/zinc/48/94/12/355489412.db2.gz YAQLGMVKLVOYIL-VHSXEESVSA-N 1 2 284.312 0.864 20 5 CCBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1COC[C@@H]1O ZINC000352798783 356082735 /nfs/dbraw/zinc/08/27/35/356082735.db2.gz XUKGFJNSVAKSJK-MNOVXSKESA-N 1 2 293.279 0.928 20 5 CCBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1COC[C@@H]1O ZINC000352798783 356082736 /nfs/dbraw/zinc/08/27/36/356082736.db2.gz XUKGFJNSVAKSJK-MNOVXSKESA-N 1 2 293.279 0.928 20 5 CCBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000354319890 356388864 /nfs/dbraw/zinc/38/88/64/356388864.db2.gz SYTZXJCPBOMVGC-MRVPVSSYSA-N 1 2 290.283 0.681 20 5 CCBDLO O=C1C[N@H+](CCCNc2ccc([N+](=O)[O-])nc2)CCN1 ZINC000362653156 138067850 /nfs/dbraw/zinc/06/78/50/138067850.db2.gz CGOFNXLDXPWDHP-UHFFFAOYSA-N 1 2 279.300 0.224 20 5 CCBDLO O=C1C[N@@H+](CCCNc2ccc([N+](=O)[O-])nc2)CCN1 ZINC000362653156 138067851 /nfs/dbraw/zinc/06/78/51/138067851.db2.gz CGOFNXLDXPWDHP-UHFFFAOYSA-N 1 2 279.300 0.224 20 5 CCBDLO Cc1[nH+]c[nH]c1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000359515233 356836084 /nfs/dbraw/zinc/83/60/84/356836084.db2.gz RWFBHLXUQGSHGQ-UHFFFAOYSA-N 1 2 264.245 0.139 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000449412524 236032878 /nfs/dbraw/zinc/03/28/78/236032878.db2.gz FZGIGYSRVMVYBR-LLVKDONJSA-N 1 2 268.269 0.494 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000449412524 236032879 /nfs/dbraw/zinc/03/28/79/236032879.db2.gz FZGIGYSRVMVYBR-LLVKDONJSA-N 1 2 268.269 0.494 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401170683 357797682 /nfs/dbraw/zinc/79/76/82/357797682.db2.gz SGVREBFIAMKEHJ-SECBINFHSA-N 1 2 270.264 0.871 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401170683 357797685 /nfs/dbraw/zinc/79/76/85/357797685.db2.gz SGVREBFIAMKEHJ-SECBINFHSA-N 1 2 270.264 0.871 20 5 CCBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000586773768 359287855 /nfs/dbraw/zinc/28/78/55/359287855.db2.gz XZSITSVPTABFGY-VIFPVBQESA-N 1 2 290.283 0.992 20 5 CCBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000586771957 359288092 /nfs/dbraw/zinc/28/80/92/359288092.db2.gz FWFJMAKOWQAVCH-UHFFFAOYSA-N 1 2 289.251 0.616 20 5 CCBDLO Cc1n[nH]c(C(=O)NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC000297191455 200110050 /nfs/dbraw/zinc/11/00/50/200110050.db2.gz VGXNXYIRQYGSEV-UHFFFAOYSA-N 1 2 267.289 0.449 20 5 CCBDLO O=C1C[N@H+](CCCNc2cccnc2[N+](=O)[O-])CCN1 ZINC000611305562 363704888 /nfs/dbraw/zinc/70/48/88/363704888.db2.gz HEEZEXYNLILAFB-UHFFFAOYSA-N 1 2 279.300 0.224 20 5 CCBDLO O=C1C[N@@H+](CCCNc2cccnc2[N+](=O)[O-])CCN1 ZINC000611305562 363704895 /nfs/dbraw/zinc/70/48/95/363704895.db2.gz HEEZEXYNLILAFB-UHFFFAOYSA-N 1 2 279.300 0.224 20 5 CCBDLO COC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000593087958 360032268 /nfs/dbraw/zinc/03/22/68/360032268.db2.gz YEFIEOPMPPASBC-ONGXEEELSA-N 1 2 298.299 0.054 20 5 CCBDLO COC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000593087958 360032269 /nfs/dbraw/zinc/03/22/69/360032269.db2.gz YEFIEOPMPPASBC-ONGXEEELSA-N 1 2 298.299 0.054 20 5 CCBDLO C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000593926476 360219427 /nfs/dbraw/zinc/21/94/27/360219427.db2.gz VVCXVBJMGDRJHP-VIFPVBQESA-N 1 2 282.300 0.518 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(O)(CO)CC1 ZINC000595733297 360632583 /nfs/dbraw/zinc/63/25/83/360632583.db2.gz RCIYDMFOYLLREE-UHFFFAOYSA-N 1 2 282.296 0.620 20 5 CCBDLO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000598459077 361422763 /nfs/dbraw/zinc/42/27/63/361422763.db2.gz DSBKDEBLBXFQRL-SECBINFHSA-N 1 2 292.299 0.792 20 5 CCBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1[nH+]ccn1C ZINC000598776241 361514011 /nfs/dbraw/zinc/51/40/11/361514011.db2.gz JMEDZLNWMVPXKM-SSDOTTSWSA-N 1 2 291.267 0.920 20 5 CCBDLO Cc1nn(C)c(NC[C@H]2COCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000599159934 361592086 /nfs/dbraw/zinc/59/20/86/361592086.db2.gz HVBBCQVHCLDLLG-VIFPVBQESA-N 1 2 269.305 0.379 20 5 CCBDLO Cc1nn(C)c(NC[C@H]2COCC[N@H+]2C)c1[N+](=O)[O-] ZINC000599159934 361592088 /nfs/dbraw/zinc/59/20/88/361592088.db2.gz HVBBCQVHCLDLLG-VIFPVBQESA-N 1 2 269.305 0.379 20 5 CCBDLO NC(=O)CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000054977834 284523503 /nfs/dbraw/zinc/52/35/03/284523503.db2.gz QUMDQPVMIGHWEG-UHFFFAOYSA-N 1 2 278.312 0.198 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000516494736 249168186 /nfs/dbraw/zinc/16/81/86/249168186.db2.gz PCNXSZOBKPODJE-NOZJJQNGSA-N 1 2 282.296 0.476 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000516494736 249168187 /nfs/dbraw/zinc/16/81/87/249168187.db2.gz PCNXSZOBKPODJE-NOZJJQNGSA-N 1 2 282.296 0.476 20 5 CCBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278681420 194100320 /nfs/dbraw/zinc/10/03/20/194100320.db2.gz IVBGTZKQTZDSLE-TXEJJXNPSA-N 1 2 282.296 0.531 20 5 CCBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278681420 194100321 /nfs/dbraw/zinc/10/03/21/194100321.db2.gz IVBGTZKQTZDSLE-TXEJJXNPSA-N 1 2 282.296 0.531 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1c([N+](=O)[O-])ncn1C ZINC000278795686 194159302 /nfs/dbraw/zinc/15/93/02/194159302.db2.gz HGINPNQDKPEPMN-JTQLQIEISA-N 1 2 283.332 0.485 20 5 CCBDLO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000262470540 389287388 /nfs/dbraw/zinc/28/73/88/389287388.db2.gz YGSRMMDQYUMAAK-SECBINFHSA-N 1 2 281.268 0.100 20 5 CCBDLO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000159698031 389371424 /nfs/dbraw/zinc/37/14/24/389371424.db2.gz FFKNHARTDGKKKG-QWRGUYRKSA-N 1 2 281.312 0.866 20 5 CCBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000411906283 389457737 /nfs/dbraw/zinc/45/77/37/389457737.db2.gz CZRPADWLGLEADD-JQWIXIFHSA-N 1 2 282.296 0.882 20 5 CCBDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000411906283 389457741 /nfs/dbraw/zinc/45/77/41/389457741.db2.gz CZRPADWLGLEADD-JQWIXIFHSA-N 1 2 282.296 0.882 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444698883 389914180 /nfs/dbraw/zinc/91/41/80/389914180.db2.gz DHKJMSXAWPKPFB-QWRGUYRKSA-N 1 2 256.233 0.271 20 5 CCBDLO CCc1n[nH]c(C(=O)NCc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC000359131064 144195722 /nfs/dbraw/zinc/19/57/22/144195722.db2.gz SUVSOSSCHNUARA-UHFFFAOYSA-N 1 2 264.245 0.533 20 5 CCBDLO CCc1n[nH]c(C(=O)NCc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC000359131064 144195724 /nfs/dbraw/zinc/19/57/24/144195724.db2.gz SUVSOSSCHNUARA-UHFFFAOYSA-N 1 2 264.245 0.533 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548943564 286081154 /nfs/dbraw/zinc/08/11/54/286081154.db2.gz TUCZBYAAZGBPFI-UHFFFAOYSA-N 1 2 250.218 0.313 20 5 CCBDLO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000285443881 196285533 /nfs/dbraw/zinc/28/55/33/196285533.db2.gz IHYYNSPQZYQASE-VIFPVBQESA-N 1 2 297.315 0.111 20 5 CCBDLO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000285443881 196285534 /nfs/dbraw/zinc/28/55/34/196285534.db2.gz IHYYNSPQZYQASE-VIFPVBQESA-N 1 2 297.315 0.111 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c(F)c1 ZINC000285787524 196398481 /nfs/dbraw/zinc/39/84/81/196398481.db2.gz XPTCUTZUQFQUSX-BDAKNGLRSA-N 1 2 288.250 0.801 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(F)c1 ZINC000285787524 196398483 /nfs/dbraw/zinc/39/84/83/196398483.db2.gz XPTCUTZUQFQUSX-BDAKNGLRSA-N 1 2 288.250 0.801 20 5 CCBDLO C[C@@H](Nc1ccncc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000355256181 274241277 /nfs/dbraw/zinc/24/12/77/274241277.db2.gz REFWGFRPUUWGEE-GHMZBOCLSA-N 1 2 280.328 0.933 20 5 CCBDLO C[C@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000574276659 327307463 /nfs/dbraw/zinc/30/74/63/327307463.db2.gz IOIHUMXALNKZLN-VIFPVBQESA-N 1 2 285.275 0.616 20 5 CCBDLO C[C@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000574276659 327307464 /nfs/dbraw/zinc/30/74/64/327307464.db2.gz IOIHUMXALNKZLN-VIFPVBQESA-N 1 2 285.275 0.616 20 5 CCBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000582959888 329290067 /nfs/dbraw/zinc/29/00/67/329290067.db2.gz QOTVWIBHRXVISI-LLVKDONJSA-N 1 2 292.295 0.847 20 5 CCBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000576137670 335159432 /nfs/dbraw/zinc/15/94/32/335159432.db2.gz KJWFKXIXGIXPFL-VIFPVBQESA-N 1 2 281.316 0.793 20 5 CCBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000576137670 335159434 /nfs/dbraw/zinc/15/94/34/335159434.db2.gz KJWFKXIXGIXPFL-VIFPVBQESA-N 1 2 281.316 0.793 20 5 CCBDLO Cc1cc(N2CC[NH+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000049320740 525080876 /nfs/dbraw/zinc/08/08/76/525080876.db2.gz HTQQIKXBKPIETI-UHFFFAOYSA-N 1 2 278.312 0.511 20 5 CCBDLO COC(=O)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859119 581116040 /nfs/dbraw/zinc/11/60/40/581116040.db2.gz DSVPKLZKHOVSTG-VIFPVBQESA-N 1 2 268.273 0.552 20 5 CCBDLO COC(=O)[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859119 581116042 /nfs/dbraw/zinc/11/60/42/581116042.db2.gz DSVPKLZKHOVSTG-VIFPVBQESA-N 1 2 268.273 0.552 20 5 CCBDLO Cc1nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000788379645 581109179 /nfs/dbraw/zinc/10/91/79/581109179.db2.gz WRILAAOHWLDXGZ-NSHDSACASA-N 1 2 297.359 0.710 20 5 CCBDLO Cc1nn(C[N@@H+](C)[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000788379645 581109181 /nfs/dbraw/zinc/10/91/81/581109181.db2.gz WRILAAOHWLDXGZ-NSHDSACASA-N 1 2 297.359 0.710 20 5 CCBDLO Cc1nn(C[N@H+](C)[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000788379645 581109182 /nfs/dbraw/zinc/10/91/82/581109182.db2.gz WRILAAOHWLDXGZ-NSHDSACASA-N 1 2 297.359 0.710 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000784913778 581398621 /nfs/dbraw/zinc/39/86/21/581398621.db2.gz HCCMTWSSJJIIKL-SNVBAGLBSA-N 1 2 295.295 0.867 20 5 CCBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000787321246 581467106 /nfs/dbraw/zinc/46/71/06/581467106.db2.gz UPWYDEZUEBIVOB-DDTOSNHZSA-N 1 2 296.323 0.710 20 5 CCBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000787321246 581467108 /nfs/dbraw/zinc/46/71/08/581467108.db2.gz UPWYDEZUEBIVOB-DDTOSNHZSA-N 1 2 296.323 0.710 20 5 CCBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000787997475 581484175 /nfs/dbraw/zinc/48/41/75/581484175.db2.gz SMSABAGEARHGMO-RNCFNFMXSA-N 1 2 284.287 0.909 20 5 CCBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000787997475 581484176 /nfs/dbraw/zinc/48/41/76/581484176.db2.gz SMSABAGEARHGMO-RNCFNFMXSA-N 1 2 284.287 0.909 20 5 CCBDLO Nc1c(C(=O)OCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000758957446 581777506 /nfs/dbraw/zinc/77/75/06/581777506.db2.gz YWYMUKGDMKYJIM-UHFFFAOYSA-N 1 2 295.295 0.666 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)OCCn1cc[nH+]c1 ZINC000771939396 581834896 /nfs/dbraw/zinc/83/48/96/581834896.db2.gz JVPNKMZUCXJMJT-UHFFFAOYSA-N 1 2 279.256 0.540 20 5 CCBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930451163 616757680 /nfs/dbraw/zinc/75/76/80/616757680.db2.gz NDCKMPSULZYCKV-QMMMGPOBSA-N 1 2 270.207 0.691 20 5 CCBDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930451163 616757683 /nfs/dbraw/zinc/75/76/83/616757683.db2.gz NDCKMPSULZYCKV-QMMMGPOBSA-N 1 2 270.207 0.691 20 5 CCBDLO CC[C@@H](C)[C@H]1C[N@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000930080341 615469339 /nfs/dbraw/zinc/46/93/39/615469339.db2.gz POBKYYINUKIRQS-VXGBXAGGSA-N 1 2 288.348 0.572 20 5 CCBDLO CC[C@@H](C)[C@H]1C[N@@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000930080341 615469341 /nfs/dbraw/zinc/46/93/41/615469341.db2.gz POBKYYINUKIRQS-VXGBXAGGSA-N 1 2 288.348 0.572 20 5 CCBDLO COC(C[N@H+](CCCO)Cc1cccnc1[N+](=O)[O-])OC ZINC000886122644 616316451 /nfs/dbraw/zinc/31/64/51/616316451.db2.gz GDGJWEODPVEMGM-UHFFFAOYSA-N 1 2 299.327 0.793 20 5 CCBDLO COC(C[N@@H+](CCCO)Cc1cccnc1[N+](=O)[O-])OC ZINC000886122644 616316454 /nfs/dbraw/zinc/31/64/54/616316454.db2.gz GDGJWEODPVEMGM-UHFFFAOYSA-N 1 2 299.327 0.793 20 5 CCBDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000880566427 616561797 /nfs/dbraw/zinc/56/17/97/616561797.db2.gz JUCSLCMNQYKBGA-CYBMUJFWSA-N 1 2 298.270 0.844 20 5 CCBDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000880566427 616561798 /nfs/dbraw/zinc/56/17/98/616561798.db2.gz JUCSLCMNQYKBGA-CYBMUJFWSA-N 1 2 298.270 0.844 20 5 CCBDLO COC(=O)[C@@]1(C)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000177219082 623368996 /nfs/dbraw/zinc/36/89/96/623368996.db2.gz OFXAXUXHEIKLCJ-NSHDSACASA-N 1 2 268.273 0.634 20 5 CCBDLO COC(=O)[C@@]1(C)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000177219082 623369002 /nfs/dbraw/zinc/36/90/02/623369002.db2.gz OFXAXUXHEIKLCJ-NSHDSACASA-N 1 2 268.273 0.634 20 5 CCBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H]3CO)c2c1 ZINC000902629509 634420581 /nfs/dbraw/zinc/42/05/81/634420581.db2.gz FWEWOHUCYQFGPZ-NSHDSACASA-N 1 2 262.269 0.969 20 5 CCBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H]3CO)c2c1 ZINC000902629509 634420584 /nfs/dbraw/zinc/42/05/84/634420584.db2.gz FWEWOHUCYQFGPZ-NSHDSACASA-N 1 2 262.269 0.969 20 5 CCBDLO CC(C)OC1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000899901842 633920005 /nfs/dbraw/zinc/92/00/05/633920005.db2.gz XPANBSQTLJRMCX-LLVKDONJSA-N 1 2 284.316 0.261 20 5 CCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982754 644588030 /nfs/dbraw/zinc/58/80/30/644588030.db2.gz RIHFCLJSXHQBQB-VIFPVBQESA-N 1 2 288.267 0.643 20 5 CCBDLO Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001020139116 651044087 /nfs/dbraw/zinc/04/40/87/651044087.db2.gz RKWICWVTZUVMDY-GWOFURMSSA-N 1 2 294.311 0.385 20 5 CCBDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000930831185 648912394 /nfs/dbraw/zinc/91/23/94/648912394.db2.gz NAFKUEWJLSZWCC-IVZWLZJFSA-N 1 2 281.316 0.389 20 5 CCBDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000930831185 648912397 /nfs/dbraw/zinc/91/23/97/648912397.db2.gz NAFKUEWJLSZWCC-IVZWLZJFSA-N 1 2 281.316 0.389 20 5 CCBDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000930831184 648912948 /nfs/dbraw/zinc/91/29/48/648912948.db2.gz NAFKUEWJLSZWCC-GUBZILKMSA-N 1 2 281.316 0.389 20 5 CCBDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000930831184 648912950 /nfs/dbraw/zinc/91/29/50/648912950.db2.gz NAFKUEWJLSZWCC-GUBZILKMSA-N 1 2 281.316 0.389 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001155193685 800927375 /nfs/dbraw/zinc/92/73/75/800927375.db2.gz JZCAMALDIMPHEH-SECBINFHSA-N 1 2 297.271 0.641 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001155193685 800927379 /nfs/dbraw/zinc/92/73/79/800927379.db2.gz JZCAMALDIMPHEH-SECBINFHSA-N 1 2 297.271 0.641 20 5 CCBDLO Nc1cc(CNc2cc([N+](=O)[O-])cc[n+]2[O-])cc[nH+]1 ZINC001156756201 801231122 /nfs/dbraw/zinc/23/11/22/801231122.db2.gz RUTVXMNBOHFOAG-UHFFFAOYSA-N 1 2 261.241 0.818 20 5 CCBDLO CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157461411 801391557 /nfs/dbraw/zinc/39/15/57/801391557.db2.gz KRVPHNZNBFUQNE-UHFFFAOYSA-N 1 2 294.311 0.917 20 5 CCBDLO COc1ncc([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001162682569 802388586 /nfs/dbraw/zinc/38/85/86/802388586.db2.gz DKVXQBJDBZQXRA-QMMMGPOBSA-N 1 2 283.288 0.136 20 5 CCBDLO COc1ncc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001162682569 802388595 /nfs/dbraw/zinc/38/85/95/802388595.db2.gz DKVXQBJDBZQXRA-QMMMGPOBSA-N 1 2 283.288 0.136 20 5 CCBDLO COc1ccc(NC[C@@H]2C[N@H+](C)CCO2)nc1[N+](=O)[O-] ZINC001162683057 802390981 /nfs/dbraw/zinc/39/09/81/802390981.db2.gz OELWXLXVXLXZSM-SECBINFHSA-N 1 2 282.300 0.741 20 5 CCBDLO COc1ccc(NC[C@@H]2C[N@@H+](C)CCO2)nc1[N+](=O)[O-] ZINC001162683057 802390991 /nfs/dbraw/zinc/39/09/91/802390991.db2.gz OELWXLXVXLXZSM-SECBINFHSA-N 1 2 282.300 0.741 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001162689364 802398236 /nfs/dbraw/zinc/39/82/36/802398236.db2.gz DXQXMIWPLRUHJY-JTQLQIEISA-N 1 2 292.299 0.380 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001162689364 802398245 /nfs/dbraw/zinc/39/82/45/802398245.db2.gz DXQXMIWPLRUHJY-JTQLQIEISA-N 1 2 292.299 0.380 20 5 CCBDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])nc2)C1 ZINC001226712925 805270321 /nfs/dbraw/zinc/27/03/21/805270321.db2.gz SEBITCWIHTWQDJ-SNVBAGLBSA-N 1 2 253.258 0.699 20 5 CCBDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])nc2)C1 ZINC001226712925 805270329 /nfs/dbraw/zinc/27/03/29/805270329.db2.gz SEBITCWIHTWQDJ-SNVBAGLBSA-N 1 2 253.258 0.699 20 5 CCBDLO COC(=O)[C@]1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOC1 ZINC001169001502 836095397 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DRWFVNLDDOACGD-NXEZZACHSA-N 1 2 254.290 0.901 20 5 CCBDLO CN(CC[NH2+]Cc1cscn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696537 791152545 /nfs/dbraw/zinc/15/25/45/791152545.db2.gz LTOYWMCPPBGZPK-NXEZZACHSA-N 1 2 284.341 0.356 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001155042628 800895730 /nfs/dbraw/zinc/89/57/30/800895730.db2.gz CUXMNJASZZCOPA-SSDOTTSWSA-N 1 2 276.256 0.716 20 5 CCBDLO COc1nc(NCc2cc[nH+]c(N)c2)ncc1[N+](=O)[O-] ZINC001156755462 801231384 /nfs/dbraw/zinc/23/13/84/801231384.db2.gz BDGBNJNUUDLWKA-UHFFFAOYSA-N 1 2 276.256 0.983 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C ZINC001161946452 802253814 /nfs/dbraw/zinc/25/38/14/802253814.db2.gz YNVROVVRUBFDIQ-SECBINFHSA-N 1 2 268.273 0.601 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(OC)cc1[N+](=O)[O-] ZINC001161949873 802255511 /nfs/dbraw/zinc/25/55/11/802255511.db2.gz CXECRYCTUQZTSA-MRVPVSSYSA-N 1 2 284.272 0.301 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(F)c(C)c2[N+](=O)[O-])C[NH2+]1 ZINC001164302376 802714031 /nfs/dbraw/zinc/71/40/31/802714031.db2.gz SKZVDFJGYLEYOL-CBAPKCEASA-N 1 2 298.274 0.753 20 5 CCBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3[nH]ccc(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225666422 805148631 /nfs/dbraw/zinc/14/86/31/805148631.db2.gz IQEIKQNOVIRLOS-JVUFJMBOSA-N 1 2 293.279 0.878 20 5 CCBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3[nH]ccc(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225666422 805148636 /nfs/dbraw/zinc/14/86/36/805148636.db2.gz IQEIKQNOVIRLOS-JVUFJMBOSA-N 1 2 293.279 0.878 20 5 CCBDLO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1OC1C[NH+](C)C1 ZINC001226307390 805214412 /nfs/dbraw/zinc/21/44/12/805214412.db2.gz LCFVYLKHCJEJDZ-UHFFFAOYSA-N 1 2 297.267 0.565 20 5 CCBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC001254559603 808260248 /nfs/dbraw/zinc/26/02/48/808260248.db2.gz LFBQUUHTZFBMAY-GXFFZTMASA-N 1 2 293.323 0.712 20 5 CCBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001254559603 808260251 /nfs/dbraw/zinc/26/02/51/808260251.db2.gz LFBQUUHTZFBMAY-GXFFZTMASA-N 1 2 293.323 0.712 20 5 CCBDLO Cc1nc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC001262373215 809293743 /nfs/dbraw/zinc/29/37/43/809293743.db2.gz PQDYGFLYQHSUKH-CMPLNLGQSA-N 1 2 294.359 0.739 20 5 CCBDLO Cc1nc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC001262373215 809293749 /nfs/dbraw/zinc/29/37/49/809293749.db2.gz PQDYGFLYQHSUKH-CMPLNLGQSA-N 1 2 294.359 0.739 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC000094261813 817346991 /nfs/dbraw/zinc/34/69/91/817346991.db2.gz IIDVIGFNWROOLX-MRVPVSSYSA-N 1 2 267.289 0.315 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC000094261813 817346998 /nfs/dbraw/zinc/34/69/98/817346998.db2.gz IIDVIGFNWROOLX-MRVPVSSYSA-N 1 2 267.289 0.315 20 5 CCBDLO COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169005348 836095161 /nfs/dbraw/zinc/09/51/61/836095161.db2.gz BAFKQGKIFAXLDE-YUSALJHKSA-N 1 2 296.327 0.544 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C[NH2+]1 ZINC001158253907 838008529 /nfs/dbraw/zinc/00/85/29/838008529.db2.gz IKMWGSPSZQYSPM-BDAKNGLRSA-N 1 2 280.284 0.614 20 5 CCBDLO C[N@@H+]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1CO ZINC000687595620 849122941 /nfs/dbraw/zinc/12/29/41/849122941.db2.gz PXPQTQUDIONTEA-MRVPVSSYSA-N 1 2 257.315 0.769 20 5 CCBDLO C[N@H+]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1CO ZINC000687595620 849122945 /nfs/dbraw/zinc/12/29/45/849122945.db2.gz PXPQTQUDIONTEA-MRVPVSSYSA-N 1 2 257.315 0.769 20 5 CCBDLO Cn1c[nH+]cc1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC001116668481 855808490 /nfs/dbraw/zinc/80/84/90/855808490.db2.gz XFTYUVCTTJHGKU-UHFFFAOYSA-N 1 2 278.272 0.034 20 5 CCBDLO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncs1 ZINC001480974636 892005239 /nfs/dbraw/zinc/00/52/39/892005239.db2.gz QNZGMXUKFGFEHS-GHMZBOCLSA-N 1 2 298.368 0.746 20 5 CCBDLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncs1 ZINC001480974636 892005254 /nfs/dbraw/zinc/00/52/54/892005254.db2.gz QNZGMXUKFGFEHS-GHMZBOCLSA-N 1 2 298.368 0.746 20 5 CCBDLO CCN(CC[NH2+]Cc1nocc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482924214 894700076 /nfs/dbraw/zinc/70/00/76/894700076.db2.gz FDMOQWIJBWEIRB-ZYHUDNBSSA-N 1 2 296.327 0.586 20 5 CCBDLO Cc1nn(C[NH+]2CCC(OCC(N)=O)CC2)cc1[N+](=O)[O-] ZINC001319932248 910356649 /nfs/dbraw/zinc/35/66/49/910356649.db2.gz WZNVXUMUKXPBKV-UHFFFAOYSA-N 1 2 297.315 0.024 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC001351286652 925397259 /nfs/dbraw/zinc/39/72/59/925397259.db2.gz CDOLJOOHJMUYOJ-MRVPVSSYSA-N 1 2 290.283 0.270 20 5 CCBDLO NC(=O)C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599663857 361777592 /nfs/dbraw/zinc/77/75/92/361777592.db2.gz HQCBGWFGMTVGSD-GFCCVEGCSA-N 1 2 279.296 0.671 20 5 CCBDLO NC(=O)C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599663857 361777596 /nfs/dbraw/zinc/77/75/96/361777596.db2.gz HQCBGWFGMTVGSD-GFCCVEGCSA-N 1 2 279.296 0.671 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000600417741 361955495 /nfs/dbraw/zinc/95/54/95/361955495.db2.gz APAWLZNUGSLGIO-SECBINFHSA-N 1 2 294.311 0.237 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000600417741 361955499 /nfs/dbraw/zinc/95/54/99/361955499.db2.gz APAWLZNUGSLGIO-SECBINFHSA-N 1 2 294.311 0.237 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000602822974 362820166 /nfs/dbraw/zinc/82/01/66/362820166.db2.gz IBXFZZXFNRGNAG-SECBINFHSA-N 1 2 281.316 0.262 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000602822974 362820170 /nfs/dbraw/zinc/82/01/70/362820170.db2.gz IBXFZZXFNRGNAG-SECBINFHSA-N 1 2 281.316 0.262 20 5 CCBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccn(C)n1 ZINC000602840534 362829794 /nfs/dbraw/zinc/82/97/94/362829794.db2.gz MKVXYCUBLDATIW-QMMMGPOBSA-N 1 2 264.289 0.913 20 5 CCBDLO NC(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342873244 137101833 /nfs/dbraw/zinc/10/18/33/137101833.db2.gz TTWAXFLXJABATP-MRVPVSSYSA-N 1 2 282.275 0.977 20 5 CCBDLO NC(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342873244 137101834 /nfs/dbraw/zinc/10/18/34/137101834.db2.gz TTWAXFLXJABATP-MRVPVSSYSA-N 1 2 282.275 0.977 20 5 CCBDLO Cc1c(C(=O)N2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000033376111 348145813 /nfs/dbraw/zinc/14/58/13/348145813.db2.gz OETFSIKTDRJVLM-UHFFFAOYSA-N 1 2 293.323 0.653 20 5 CCBDLO CCOCCOCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000346672445 137298185 /nfs/dbraw/zinc/29/81/85/137298185.db2.gz UOUVAVJMJXYNIL-UHFFFAOYSA-N 1 2 286.332 0.813 20 5 CCBDLO CCOCCOCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000346672445 137298186 /nfs/dbraw/zinc/29/81/86/137298186.db2.gz UOUVAVJMJXYNIL-UHFFFAOYSA-N 1 2 286.332 0.813 20 5 CCBDLO Cn1c(C(=O)N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000346252722 137275220 /nfs/dbraw/zinc/27/52/20/137275220.db2.gz MCNOUVPETBEUDL-UHFFFAOYSA-N 1 2 278.312 0.854 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCO)CC1 ZINC000045945215 348346340 /nfs/dbraw/zinc/34/63/40/348346340.db2.gz LDLKLDPNECIGGU-UHFFFAOYSA-N 1 2 299.352 0.797 20 5 CCBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000120515658 349990341 /nfs/dbraw/zinc/99/03/41/349990341.db2.gz SHEYHSIHHGNIEU-NSHDSACASA-N 1 2 282.300 0.819 20 5 CCBDLO CCOC(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000120515658 349990347 /nfs/dbraw/zinc/99/03/47/349990347.db2.gz SHEYHSIHHGNIEU-NSHDSACASA-N 1 2 282.300 0.819 20 5 CCBDLO Cc1c(C[NH+]2CCN(CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000051502601 348489950 /nfs/dbraw/zinc/48/99/50/348489950.db2.gz JRHWEMYQYAFJFH-UHFFFAOYSA-N 1 2 292.339 0.506 20 5 CCBDLO CN(C)c1[nH+]cccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055328087 348576159 /nfs/dbraw/zinc/57/61/59/348576159.db2.gz KFCQEUPGXYBJCX-UHFFFAOYSA-N 1 2 290.283 0.891 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000070980931 348901038 /nfs/dbraw/zinc/90/10/38/348901038.db2.gz LIOYOHLEKIFZJJ-UHFFFAOYSA-N 1 2 264.245 0.173 20 5 CCBDLO O=C(CO)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089423036 349386346 /nfs/dbraw/zinc/38/63/46/349386346.db2.gz VTQHRDKENILRKX-UHFFFAOYSA-N 1 2 293.323 0.274 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000110489947 186299593 /nfs/dbraw/zinc/29/95/93/186299593.db2.gz VRDMXESGHWHZQB-VIFPVBQESA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000110489947 186299595 /nfs/dbraw/zinc/29/95/95/186299595.db2.gz VRDMXESGHWHZQB-VIFPVBQESA-N 1 2 252.274 0.732 20 5 CCBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176240677 351163949 /nfs/dbraw/zinc/16/39/49/351163949.db2.gz XOYRPEYXJNAEMW-VIFPVBQESA-N 1 2 290.345 0.156 20 5 CCBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176240677 351163952 /nfs/dbraw/zinc/16/39/52/351163952.db2.gz XOYRPEYXJNAEMW-VIFPVBQESA-N 1 2 290.345 0.156 20 5 CCBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)[NH+](C)C ZINC000221411049 351978935 /nfs/dbraw/zinc/97/89/35/351978935.db2.gz KBFSYULMWPNWAH-QMMMGPOBSA-N 1 2 267.285 0.980 20 5 CCBDLO COc1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000234936161 352178508 /nfs/dbraw/zinc/17/85/08/352178508.db2.gz CDPYOHAKCMWNPQ-GHMZBOCLSA-N 1 2 268.269 0.141 20 5 CCBDLO Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)ncc1[N+](=O)[O-] ZINC000269517276 352836526 /nfs/dbraw/zinc/83/65/26/352836526.db2.gz UWAPCTWVCHBHNN-NSHDSACASA-N 1 2 277.328 0.710 20 5 CCBDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000152509845 188024462 /nfs/dbraw/zinc/02/44/62/188024462.db2.gz NBNMGZJMGRYLIV-SNVBAGLBSA-N 1 2 281.316 0.392 20 5 CCBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000152509845 188024463 /nfs/dbraw/zinc/02/44/63/188024463.db2.gz NBNMGZJMGRYLIV-SNVBAGLBSA-N 1 2 281.316 0.392 20 5 CCBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOC[C@@H](O)C3)nc2c1 ZINC000295685205 353912302 /nfs/dbraw/zinc/91/23/02/353912302.db2.gz SDRXVLWMSZCZQN-JTQLQIEISA-N 1 2 293.279 0.929 20 5 CCBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOC[C@@H](O)C3)nc2c1 ZINC000295685205 353912306 /nfs/dbraw/zinc/91/23/06/353912306.db2.gz SDRXVLWMSZCZQN-JTQLQIEISA-N 1 2 293.279 0.929 20 5 CCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000299127221 353993120 /nfs/dbraw/zinc/99/31/20/353993120.db2.gz BVJWRUXCOUMQRN-MRVPVSSYSA-N 1 2 291.267 0.710 20 5 CCBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332670994 354717384 /nfs/dbraw/zinc/71/73/84/354717384.db2.gz QSTYCRNCSNWQPA-SECBINFHSA-N 1 2 281.316 0.381 20 5 CCBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332670994 354717386 /nfs/dbraw/zinc/71/73/86/354717386.db2.gz QSTYCRNCSNWQPA-SECBINFHSA-N 1 2 281.316 0.381 20 5 CCBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000354319891 356389170 /nfs/dbraw/zinc/38/91/70/356389170.db2.gz SYTZXJCPBOMVGC-QMMMGPOBSA-N 1 2 290.283 0.681 20 5 CCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000355044127 356557677 /nfs/dbraw/zinc/55/76/77/356557677.db2.gz HLNBAZFFJISDIJ-JTQLQIEISA-N 1 2 296.327 0.384 20 5 CCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000355044127 356557682 /nfs/dbraw/zinc/55/76/82/356557682.db2.gz HLNBAZFFJISDIJ-JTQLQIEISA-N 1 2 296.327 0.384 20 5 CCBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000619787558 366353620 /nfs/dbraw/zinc/35/36/20/366353620.db2.gz ARJVGUUKKLKBGS-UHFFFAOYSA-N 1 2 262.229 0.212 20 5 CCBDLO Cc1nn(CCC(=O)NCc2c[nH+]c[nH]2)c(C)c1[N+](=O)[O-] ZINC000359702012 356873785 /nfs/dbraw/zinc/87/37/85/356873785.db2.gz WTUSNEBAUYYVPE-UHFFFAOYSA-N 1 2 292.299 0.838 20 5 CCBDLO Cc1nn(CCC(=O)NCc2c[nH]c[nH+]2)c(C)c1[N+](=O)[O-] ZINC000359702012 356873786 /nfs/dbraw/zinc/87/37/86/356873786.db2.gz WTUSNEBAUYYVPE-UHFFFAOYSA-N 1 2 292.299 0.838 20 5 CCBDLO COC(=O)C[C@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367891453 357289726 /nfs/dbraw/zinc/28/97/26/357289726.db2.gz KOKCLUSTTKTKQN-JTQLQIEISA-N 1 2 298.299 0.055 20 5 CCBDLO COC(=O)C[C@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367891453 357289727 /nfs/dbraw/zinc/28/97/27/357289727.db2.gz KOKCLUSTTKTKQN-JTQLQIEISA-N 1 2 298.299 0.055 20 5 CCBDLO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000449602948 236040952 /nfs/dbraw/zinc/04/09/52/236040952.db2.gz PTMBJCZGEYOUNT-RQJHMYQMSA-N 1 2 253.258 0.766 20 5 CCBDLO CC1(C(N)=O)C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000582357844 359136974 /nfs/dbraw/zinc/13/69/74/359136974.db2.gz RBXMZEMMIIKJHS-UHFFFAOYSA-N 1 2 292.295 0.001 20 5 CCBDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593062227 360024476 /nfs/dbraw/zinc/02/44/76/360024476.db2.gz CZRPADWLGLEADD-CMPLNLGQSA-N 1 2 282.296 0.882 20 5 CCBDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593062227 360024478 /nfs/dbraw/zinc/02/44/78/360024478.db2.gz CZRPADWLGLEADD-CMPLNLGQSA-N 1 2 282.296 0.882 20 5 CCBDLO COC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000593087184 360031948 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/nfs/dbraw/zinc/75/48/32/622754832.db2.gz DQQDSAAGNSEIHP-NXEZZACHSA-N 1 2 258.253 0.196 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000934564754 622754839 /nfs/dbraw/zinc/75/48/39/622754839.db2.gz DQQDSAAGNSEIHP-NXEZZACHSA-N 1 2 258.253 0.196 20 5 CCBDLO O=[N+]([O-])CC[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000905062351 634794929 /nfs/dbraw/zinc/79/49/29/634794929.db2.gz XDWPQEUETYAWDK-UHFFFAOYSA-N 1 2 258.299 0.327 20 5 CCBDLO Cc1cc(C[NH2+]CC[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000905263522 634830287 /nfs/dbraw/zinc/83/02/87/634830287.db2.gz QODKIKKWAXUGLZ-UHFFFAOYSA-N 1 2 265.317 0.752 20 5 CCBDLO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895248176 632032214 /nfs/dbraw/zinc/03/22/14/632032214.db2.gz JINKEWCKNFBWLV-ONGXEEELSA-N 1 2 280.332 0.431 20 5 CCBDLO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895248176 632032221 /nfs/dbraw/zinc/03/22/21/632032221.db2.gz JINKEWCKNFBWLV-ONGXEEELSA-N 1 2 280.332 0.431 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@H+](CCF)C1 ZINC000802234851 634959328 /nfs/dbraw/zinc/95/93/28/634959328.db2.gz SONWTLDSOCZTEV-JTQLQIEISA-N 1 2 286.263 0.378 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802234851 634959338 /nfs/dbraw/zinc/95/93/38/634959338.db2.gz SONWTLDSOCZTEV-JTQLQIEISA-N 1 2 286.263 0.378 20 5 CCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H]1CC[N@H+](CCF)C1 ZINC000802237377 634963340 /nfs/dbraw/zinc/96/33/40/634963340.db2.gz DRODMIFOPVVKOG-VIFPVBQESA-N 1 2 286.263 0.378 20 5 CCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802237377 634963345 /nfs/dbraw/zinc/96/33/45/634963345.db2.gz DRODMIFOPVVKOG-VIFPVBQESA-N 1 2 286.263 0.378 20 5 CCBDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000840357508 641320670 /nfs/dbraw/zinc/32/06/70/641320670.db2.gz JFAMIEMLYPYVEH-OPRDCNLKSA-N 1 2 252.274 0.301 20 5 CCBDLO O=C1CC[C@@H]2C[N@H+](Cn3nccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000853560779 644121309 /nfs/dbraw/zinc/12/13/09/644121309.db2.gz YJQXDNIIKCMSOU-NXEZZACHSA-N 1 2 279.300 0.349 20 5 CCBDLO O=C1CC[C@@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000853560779 644121311 /nfs/dbraw/zinc/12/13/11/644121311.db2.gz YJQXDNIIKCMSOU-NXEZZACHSA-N 1 2 279.300 0.349 20 5 CCBDLO O=[N+]([O-])CCN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000929747225 648787049 /nfs/dbraw/zinc/78/70/49/648787049.db2.gz KCNIEYNILXIYOU-LBPRGKRZSA-N 1 2 257.334 0.450 20 5 CCBDLO Nc1nc(N2CC[NH2+]CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001164492662 802748060 /nfs/dbraw/zinc/74/80/60/802748060.db2.gz DCTPFZFCTJZJMY-UHFFFAOYSA-N 1 2 273.243 0.617 20 5 CCBDLO O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCn1cc[nH+]c1)C2 ZINC001222139155 804873991 /nfs/dbraw/zinc/87/39/91/804873991.db2.gz PFDPWHIZPVASMA-VIFPVBQESA-N 1 2 279.256 0.466 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1CCO ZINC000694927457 811532171 /nfs/dbraw/zinc/53/21/71/811532171.db2.gz OAKVPYLAWIKJGE-LLVKDONJSA-N 1 2 284.316 0.183 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1CCO ZINC000694927457 811532176 /nfs/dbraw/zinc/53/21/76/811532176.db2.gz OAKVPYLAWIKJGE-LLVKDONJSA-N 1 2 284.316 0.183 20 5 CCBDLO O=C(NC1C[NH+](CCC2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030292787 815962766 /nfs/dbraw/zinc/96/27/66/815962766.db2.gz VRYUJXUNIUHSGY-GHMZBOCLSA-N 1 2 253.302 0.252 20 5 CCBDLO O=[N+]([O-])c1cc[n+]([O-])cc1NCC1([NH+]2CCCC2)COC1 ZINC001168451333 816573731 /nfs/dbraw/zinc/57/37/31/816573731.db2.gz JIODDWAGIXTKFZ-UHFFFAOYSA-N 1 2 294.311 0.505 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000699453201 816726600 /nfs/dbraw/zinc/72/66/00/816726600.db2.gz JHDSJVPSEVPYLG-LBPRGKRZSA-N 1 2 279.296 0.343 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000699453201 816726607 /nfs/dbraw/zinc/72/66/07/816726607.db2.gz JHDSJVPSEVPYLG-LBPRGKRZSA-N 1 2 279.296 0.343 20 5 CCBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC001120063612 821487446 /nfs/dbraw/zinc/48/74/46/821487446.db2.gz FJQYMPYIADTPFF-NSHDSACASA-N 1 2 280.328 0.934 20 5 CCBDLO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168978296 836077374 /nfs/dbraw/zinc/07/73/74/836077374.db2.gz QXJCNSLRHSBOJH-VPOLOUISSA-N 1 2 274.317 0.334 20 5 CCBDLO NC(=O)c1nc(Nc2nccnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001171441591 841619073 /nfs/dbraw/zinc/61/90/73/841619073.db2.gz URJVZKFURKOSNB-UHFFFAOYSA-N 1 2 289.255 0.081 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000687591751 849116125 /nfs/dbraw/zinc/11/61/25/849116125.db2.gz MOHKUKNSFGALFC-SNVBAGLBSA-N 1 2 279.296 0.343 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000687591751 849116132 /nfs/dbraw/zinc/11/61/32/849116132.db2.gz MOHKUKNSFGALFC-SNVBAGLBSA-N 1 2 279.296 0.343 20 5 CCBDLO O=c1ccn(CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001119662316 856825021 /nfs/dbraw/zinc/82/50/21/856825021.db2.gz DWYNGPUITZCSHX-UHFFFAOYSA-N 1 2 253.258 0.089 20 5 CCBDLO COc1ncnc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000094739762 897922470 /nfs/dbraw/zinc/92/24/70/897922470.db2.gz TYPLLGNRVONOLY-QMMMGPOBSA-N 1 2 283.288 0.136 20 5 CCBDLO COc1ncnc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000094739762 897922482 /nfs/dbraw/zinc/92/24/82/897922482.db2.gz TYPLLGNRVONOLY-QMMMGPOBSA-N 1 2 283.288 0.136 20 5 CCBDLO CC(C)(CCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)[N+](=O)[O-] ZINC001302059028 908003200 /nfs/dbraw/zinc/00/32/00/908003200.db2.gz HFBQJNVYLCEXKA-LLVKDONJSA-N 1 2 295.343 0.718 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001335991950 920552120 /nfs/dbraw/zinc/55/21/20/920552120.db2.gz XHYYRJXEBLBRRK-QMMMGPOBSA-N 1 2 290.283 0.270 20 5 CCBDLO Cc1nn(C)c(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC001341868682 922704124 /nfs/dbraw/zinc/70/41/24/922704124.db2.gz JVLDEUJAGQULJU-UHFFFAOYSA-N 1 2 290.283 0.530 20 5 CCBDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000093091991 349524429 /nfs/dbraw/zinc/52/44/29/349524429.db2.gz CDPYOHAKCMWNPQ-PHIMTYICSA-N 1 2 268.269 0.141 20 5 CCBDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000093091991 349524432 /nfs/dbraw/zinc/52/44/32/349524432.db2.gz CDPYOHAKCMWNPQ-PHIMTYICSA-N 1 2 268.269 0.141 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000600425821 361958566 /nfs/dbraw/zinc/95/85/66/361958566.db2.gz PAKAEVQRRWAVIP-JTQLQIEISA-N 1 2 279.296 0.655 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000600425821 361958567 /nfs/dbraw/zinc/95/85/67/361958567.db2.gz PAKAEVQRRWAVIP-JTQLQIEISA-N 1 2 279.296 0.655 20 5 CCBDLO COC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000119240759 349925395 /nfs/dbraw/zinc/92/53/95/349925395.db2.gz PHXSUPOQHRUXHD-SNVBAGLBSA-N 1 2 270.289 0.579 20 5 CCBDLO Cn1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602610164 362711465 /nfs/dbraw/zinc/71/14/65/362711465.db2.gz GXZFNTZQUMFSOK-GFCCVEGCSA-N 1 2 282.300 0.320 20 5 CCBDLO Cn1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602610164 362711467 /nfs/dbraw/zinc/71/14/67/362711467.db2.gz GXZFNTZQUMFSOK-GFCCVEGCSA-N 1 2 282.300 0.320 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOCC12CC2 ZINC000602827973 362823673 /nfs/dbraw/zinc/82/36/73/362823673.db2.gz PQKZINUATMIULT-UHFFFAOYSA-N 1 2 266.301 0.965 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOCC12CC2 ZINC000602827973 362823677 /nfs/dbraw/zinc/82/36/77/362823677.db2.gz PQKZINUATMIULT-UHFFFAOYSA-N 1 2 266.301 0.965 20 5 CCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343143918 137117810 /nfs/dbraw/zinc/11/78/10/137117810.db2.gz RLDLJGUDRGNSRC-SECBINFHSA-N 1 2 277.284 0.948 20 5 CCBDLO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCOCC1 ZINC000046483428 348357829 /nfs/dbraw/zinc/35/78/29/348357829.db2.gz OHVCFFVSHAWLBO-SECBINFHSA-N 1 2 269.305 0.461 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000347523507 137341037 /nfs/dbraw/zinc/34/10/37/137341037.db2.gz QZFMEPJVGNMFTC-UHFFFAOYSA-N 1 2 292.299 0.908 20 5 CCBDLO C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000347537533 137341892 /nfs/dbraw/zinc/34/18/92/137341892.db2.gz RVTWFRWVMRUQAG-QMMMGPOBSA-N 1 2 277.284 0.867 20 5 CCBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000054377332 348555491 /nfs/dbraw/zinc/55/54/91/348555491.db2.gz LFKCIMXRIMQZOZ-UHFFFAOYSA-N 1 2 282.300 0.327 20 5 CCBDLO Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000088357814 179583261 /nfs/dbraw/zinc/58/32/61/179583261.db2.gz RMEFWIIBKFNVTD-SNVBAGLBSA-N 1 2 265.269 0.830 20 5 CCBDLO C[C@@H]1OCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000090552552 180002300 /nfs/dbraw/zinc/00/23/00/180002300.db2.gz PRNGTBKHOBKLBK-QWRGUYRKSA-N 1 2 281.312 0.866 20 5 CCBDLO C[C@@H]1OCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000090552552 180002302 /nfs/dbraw/zinc/00/23/02/180002302.db2.gz PRNGTBKHOBKLBK-QWRGUYRKSA-N 1 2 281.312 0.866 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603088399 362956844 /nfs/dbraw/zinc/95/68/44/362956844.db2.gz MXNJNQFRVOLBAQ-HZMBPMFUSA-N 1 2 291.307 0.908 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603088399 362956848 /nfs/dbraw/zinc/95/68/48/362956848.db2.gz MXNJNQFRVOLBAQ-HZMBPMFUSA-N 1 2 291.307 0.908 20 5 CCBDLO CCCc1n[nH]c(C(=O)NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000109487641 186255809 /nfs/dbraw/zinc/25/58/09/186255809.db2.gz JARQBUOYFKUYMN-UHFFFAOYSA-N 1 2 292.299 0.897 20 5 CCBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000187348246 351539876 /nfs/dbraw/zinc/53/98/76/351539876.db2.gz ZDDIFRYXELMNJY-ZDUSSCGKSA-N 1 2 295.343 0.782 20 5 CCBDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000187348246 351539879 /nfs/dbraw/zinc/53/98/79/351539879.db2.gz ZDDIFRYXELMNJY-ZDUSSCGKSA-N 1 2 295.343 0.782 20 5 CCBDLO Nc1c(C(=O)NCc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000122882674 187057716 /nfs/dbraw/zinc/05/77/16/187057716.db2.gz MBHMSQWAYFLBJY-UHFFFAOYSA-N 1 2 261.241 0.830 20 5 CCBDLO Nc1c(C(=O)NCc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000122882674 187057717 /nfs/dbraw/zinc/05/77/17/187057717.db2.gz MBHMSQWAYFLBJY-UHFFFAOYSA-N 1 2 261.241 0.830 20 5 CCBDLO C[C@H](O)C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270871821 352998335 /nfs/dbraw/zinc/99/83/35/352998335.db2.gz LXUAEPSXARTACK-NSHDSACASA-N 1 2 293.323 0.620 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628611 358474889 /nfs/dbraw/zinc/47/48/89/358474889.db2.gz PPSIILWCHYCHKJ-UHFFFAOYSA-N 1 2 261.241 0.985 20 5 CCBDLO CC1(C)CNC(=O)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282949192 353466365 /nfs/dbraw/zinc/46/63/65/353466365.db2.gz ZDOYIYHGAUPGJD-GFCCVEGCSA-N 1 2 293.323 0.839 20 5 CCBDLO CC1(C)CNC(=O)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282949192 353466368 /nfs/dbraw/zinc/46/63/68/353466368.db2.gz ZDOYIYHGAUPGJD-GFCCVEGCSA-N 1 2 293.323 0.839 20 5 CCBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000330440698 354359529 /nfs/dbraw/zinc/35/95/29/354359529.db2.gz DKNWCYHGKPFRCY-VXGBXAGGSA-N 1 2 268.269 0.492 20 5 CCBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000330440698 354359530 /nfs/dbraw/zinc/35/95/30/354359530.db2.gz DKNWCYHGKPFRCY-VXGBXAGGSA-N 1 2 268.269 0.492 20 5 CCBDLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330478028 354374425 /nfs/dbraw/zinc/37/44/25/354374425.db2.gz XBTUJPGJTCDITC-LLVKDONJSA-N 1 2 285.325 0.458 20 5 CCBDLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330478028 354374427 /nfs/dbraw/zinc/37/44/27/354374427.db2.gz XBTUJPGJTCDITC-LLVKDONJSA-N 1 2 285.325 0.458 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH]cc[nH+]2)n1 ZINC000427466275 235365669 /nfs/dbraw/zinc/36/56/69/235365669.db2.gz UAEYNLDUNLLUGS-UHFFFAOYSA-N 1 2 278.272 0.807 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCCO)CCO2 ZINC000352620852 356032459 /nfs/dbraw/zinc/03/24/59/356032459.db2.gz IXRGOQQIGQRSMX-UHFFFAOYSA-N 1 2 282.296 0.798 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCCO)CCO2 ZINC000352620852 356032462 /nfs/dbraw/zinc/03/24/62/356032462.db2.gz IXRGOQQIGQRSMX-UHFFFAOYSA-N 1 2 282.296 0.798 20 5 CCBDLO Cn1[nH]c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nc1=O ZINC000352570000 356018623 /nfs/dbraw/zinc/01/86/23/356018623.db2.gz ARHFFHOMTJJTOF-UHFFFAOYSA-N 1 2 291.311 0.691 20 5 CCBDLO Cn1[nH]c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nc1=O ZINC000352570000 356018626 /nfs/dbraw/zinc/01/86/26/356018626.db2.gz ARHFFHOMTJJTOF-UHFFFAOYSA-N 1 2 291.311 0.691 20 5 CCBDLO Cc1cc(NCC[N@H+]2CCOC[C@H]2C)ncc1[N+](=O)[O-] ZINC000610430919 363558456 /nfs/dbraw/zinc/55/84/56/363558456.db2.gz BSFBWACYKNOGAL-LLVKDONJSA-N 1 2 280.328 0.853 20 5 CCBDLO Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)ncc1[N+](=O)[O-] ZINC000610430919 363558459 /nfs/dbraw/zinc/55/84/59/363558459.db2.gz BSFBWACYKNOGAL-LLVKDONJSA-N 1 2 280.328 0.853 20 5 CCBDLO CC(C)(C(N)=O)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610573421 363581003 /nfs/dbraw/zinc/58/10/03/363581003.db2.gz HAWVNTYPUDMHEY-UHFFFAOYSA-N 1 2 293.327 0.376 20 5 CCBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000449649623 236042742 /nfs/dbraw/zinc/04/27/42/236042742.db2.gz JJBIEMKQYCLOOP-SSDOTTSWSA-N 1 2 288.254 0.898 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000451229992 236145433 /nfs/dbraw/zinc/14/54/33/236145433.db2.gz AUZGGJHNLZYGAE-LBPRGKRZSA-N 1 2 282.296 0.797 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000451229992 236145434 /nfs/dbraw/zinc/14/54/34/236145434.db2.gz AUZGGJHNLZYGAE-LBPRGKRZSA-N 1 2 282.296 0.797 20 5 CCBDLO CNC(=O)C[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275408935 283320171 /nfs/dbraw/zinc/32/01/71/283320171.db2.gz FWZATSABSUFBJL-UHFFFAOYSA-N 1 2 292.339 0.771 20 5 CCBDLO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592295306 359813037 /nfs/dbraw/zinc/81/30/37/359813037.db2.gz ICTVRJGZRBYRFP-UHFFFAOYSA-N 1 2 265.269 0.782 20 5 CCBDLO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000592310375 359816021 /nfs/dbraw/zinc/81/60/21/359816021.db2.gz CZZRXKUNNKZXNV-QPUJVOFHSA-N 1 2 295.295 0.489 20 5 CCBDLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000597863254 361272619 /nfs/dbraw/zinc/27/26/19/361272619.db2.gz MJGUQWHRSLRVEE-UHFFFAOYSA-N 1 2 263.257 0.929 20 5 CCBDLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000597863254 361272620 /nfs/dbraw/zinc/27/26/20/361272620.db2.gz MJGUQWHRSLRVEE-UHFFFAOYSA-N 1 2 263.257 0.929 20 5 CCBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302159025 201372539 /nfs/dbraw/zinc/37/25/39/201372539.db2.gz OFPXUORPUDBSJZ-SNVBAGLBSA-N 1 2 280.332 0.433 20 5 CCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000331651731 204045081 /nfs/dbraw/zinc/04/50/81/204045081.db2.gz RXNYBWUFURWCPA-VIFPVBQESA-N 1 2 290.283 0.878 20 5 CCBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1COC[C@H]1O ZINC000331753549 204126196 /nfs/dbraw/zinc/12/61/96/204126196.db2.gz HOYYCAPBSOUHMW-VXGBXAGGSA-N 1 2 292.295 0.663 20 5 CCBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1COC[C@H]1O ZINC000331753549 204126197 /nfs/dbraw/zinc/12/61/97/204126197.db2.gz HOYYCAPBSOUHMW-VXGBXAGGSA-N 1 2 292.295 0.663 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000279049461 194263630 /nfs/dbraw/zinc/26/36/30/194263630.db2.gz CFLYBFZMTIKXCG-SNVBAGLBSA-N 1 2 297.311 0.981 20 5 CCBDLO Cn1c[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000570441415 291756713 /nfs/dbraw/zinc/75/67/13/291756713.db2.gz PFPBJIAHIUJBJK-UHFFFAOYSA-N 1 2 261.241 0.653 20 5 CCBDLO Cc1c[nH]c(C(C)(C)NC(=O)Cn2ccc([N+](=O)[O-])n2)[nH+]1 ZINC000574817205 335049842 /nfs/dbraw/zinc/04/98/42/335049842.db2.gz BLCZZCLKQMRVBQ-UHFFFAOYSA-N 1 2 292.299 0.874 20 5 CCBDLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000443734674 285250913 /nfs/dbraw/zinc/25/09/13/285250913.db2.gz RXYCMXMPCNBZKE-UHFFFAOYSA-N 1 2 299.352 0.887 20 5 CCBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092006364 389027466 /nfs/dbraw/zinc/02/74/66/389027466.db2.gz UOPIIGYILRQSEL-MFKMUULPSA-N 1 2 293.323 0.978 20 5 CCBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092006364 389027469 /nfs/dbraw/zinc/02/74/69/389027469.db2.gz UOPIIGYILRQSEL-MFKMUULPSA-N 1 2 293.323 0.978 20 5 CCBDLO C[C@H](CO)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000339115065 389125464 /nfs/dbraw/zinc/12/54/64/389125464.db2.gz YAQLGMVKLVOYIL-ZJUUUORDSA-N 1 2 284.312 0.864 20 5 CCBDLO C[C@H](CO)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000339115065 389125465 /nfs/dbraw/zinc/12/54/65/389125465.db2.gz YAQLGMVKLVOYIL-ZJUUUORDSA-N 1 2 284.312 0.864 20 5 CCBDLO Cn1ncnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332036042 389322197 /nfs/dbraw/zinc/32/21/97/389322197.db2.gz VYTNVNQYPZZIRT-UHFFFAOYSA-N 1 2 274.284 0.677 20 5 CCBDLO Cn1ncnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332036042 389322198 /nfs/dbraw/zinc/32/21/98/389322198.db2.gz VYTNVNQYPZZIRT-UHFFFAOYSA-N 1 2 274.284 0.677 20 5 CCBDLO CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000264759086 389352914 /nfs/dbraw/zinc/35/29/14/389352914.db2.gz MYHBAPFLGPNCAF-UHFFFAOYSA-N 1 2 297.311 0.982 20 5 CCBDLO C[N@@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269658000 389425400 /nfs/dbraw/zinc/42/54/00/389425400.db2.gz PCQFBJLPZGZVEH-SNVBAGLBSA-N 1 2 253.258 0.045 20 5 CCBDLO C[N@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269658000 389425403 /nfs/dbraw/zinc/42/54/03/389425403.db2.gz PCQFBJLPZGZVEH-SNVBAGLBSA-N 1 2 253.258 0.045 20 5 CCBDLO NC(=O)[C@]1(O)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351593974 389626252 /nfs/dbraw/zinc/62/62/52/389626252.db2.gz FRAVLRPGMUEKBC-LBPRGKRZSA-N 1 2 283.259 0.156 20 5 CCBDLO NC(=O)[C@]1(O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000351593974 389626257 /nfs/dbraw/zinc/62/62/57/389626257.db2.gz FRAVLRPGMUEKBC-LBPRGKRZSA-N 1 2 283.259 0.156 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCCOC1 ZINC000352201768 389770435 /nfs/dbraw/zinc/77/04/35/389770435.db2.gz GXDLKOYPTFCCIR-VIFPVBQESA-N 1 2 254.290 0.939 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCCOC1 ZINC000352201768 389770436 /nfs/dbraw/zinc/77/04/36/389770436.db2.gz GXDLKOYPTFCCIR-VIFPVBQESA-N 1 2 254.290 0.939 20 5 CCBDLO CC[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000442810116 389864130 /nfs/dbraw/zinc/86/41/30/389864130.db2.gz MTDFDNOAQTWERK-SSDOTTSWSA-N 1 2 278.272 0.933 20 5 CCBDLO Cn1cc[nH+]c1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445175905 389922306 /nfs/dbraw/zinc/92/23/06/389922306.db2.gz FNWWHIPJXROXTE-UHFFFAOYSA-N 1 2 277.240 0.359 20 5 CCBDLO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436964970 389988284 /nfs/dbraw/zinc/98/82/84/389988284.db2.gz JJUCHCDLMQCKRE-ZDUSSCGKSA-N 1 2 295.295 0.097 20 5 CCBDLO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436964970 389988285 /nfs/dbraw/zinc/98/82/85/389988285.db2.gz JJUCHCDLMQCKRE-ZDUSSCGKSA-N 1 2 295.295 0.097 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000491850733 390117487 /nfs/dbraw/zinc/11/74/87/390117487.db2.gz WSMYNGWLAKUVAS-ZJUUUORDSA-N 1 2 295.299 0.488 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000491850733 390117488 /nfs/dbraw/zinc/11/74/88/390117488.db2.gz WSMYNGWLAKUVAS-ZJUUUORDSA-N 1 2 295.299 0.488 20 5 CCBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cs1 ZINC000584553346 390355100 /nfs/dbraw/zinc/35/51/00/390355100.db2.gz PHHDVHBQMYADQH-NXEZZACHSA-N 1 2 272.326 0.831 20 5 CCBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cs1 ZINC000584553346 390355104 /nfs/dbraw/zinc/35/51/04/390355104.db2.gz PHHDVHBQMYADQH-NXEZZACHSA-N 1 2 272.326 0.831 20 5 CCBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000547758157 390396266 /nfs/dbraw/zinc/39/62/66/390396266.db2.gz MQXXVRVMRFCQBT-UHFFFAOYSA-N 1 2 290.283 0.992 20 5 CCBDLO Cc1nn(C)c(NCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000523733254 390642503 /nfs/dbraw/zinc/64/25/03/390642503.db2.gz OQPKLCTWKTZFCQ-SECBINFHSA-N 1 2 283.332 0.769 20 5 CCBDLO Cc1nn(C)c(NCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000523733254 390642507 /nfs/dbraw/zinc/64/25/07/390642507.db2.gz OQPKLCTWKTZFCQ-SECBINFHSA-N 1 2 283.332 0.769 20 5 CCBDLO COc1cc[nH+]c(Cn2cnc([N+](=O)[O-])n2)c1OC ZINC000191095565 130182804 /nfs/dbraw/zinc/18/28/04/130182804.db2.gz ASBYUORFDSTXQV-UHFFFAOYSA-N 1 2 265.229 0.647 20 5 CCBDLO COC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000251905587 131131982 /nfs/dbraw/zinc/13/19/82/131131982.db2.gz RIORLNSUFHKKLH-JQWIXIFHSA-N 1 2 284.316 0.527 20 5 CCBDLO COC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000251905587 131131983 /nfs/dbraw/zinc/13/19/83/131131983.db2.gz RIORLNSUFHKKLH-JQWIXIFHSA-N 1 2 284.316 0.527 20 5 CCBDLO CN(CC[NH+]1CCOCC1)c1ncccc1[N+](=O)[O-] ZINC000264091238 131393085 /nfs/dbraw/zinc/39/30/85/131393085.db2.gz NQBRNHLCSRHTHJ-UHFFFAOYSA-N 1 2 266.301 0.758 20 5 CCBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)nc1 ZINC000269463240 132174449 /nfs/dbraw/zinc/17/44/49/132174449.db2.gz HLTFNCAIECUXQL-LLVKDONJSA-N 1 2 263.301 0.402 20 5 CCBDLO O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368336200 144218976 /nfs/dbraw/zinc/21/89/76/144218976.db2.gz LSFLASDHEMNUGI-URLYPYJESA-N 1 2 291.307 0.703 20 5 CCBDLO O=C(C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368336200 144218977 /nfs/dbraw/zinc/21/89/77/144218977.db2.gz LSFLASDHEMNUGI-URLYPYJESA-N 1 2 291.307 0.703 20 5 CCBDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000371942172 144347933 /nfs/dbraw/zinc/34/79/33/144347933.db2.gz CJZNULZGZQCJSB-KKOKHZNYSA-N 1 2 278.312 0.958 20 5 CCBDLO Cn1c[nH+]cc1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000548131965 286009092 /nfs/dbraw/zinc/00/90/92/286009092.db2.gz BKUCHZROOADUFJ-UHFFFAOYSA-N 1 2 289.295 0.883 20 5 CCBDLO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000548413874 286034198 /nfs/dbraw/zinc/03/41/98/286034198.db2.gz JUJMYONSVRCHSE-IUCAKERBSA-N 1 2 297.315 0.157 20 5 CCBDLO CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c[nH+]1 ZINC000285065423 196189066 /nfs/dbraw/zinc/18/90/66/196189066.db2.gz HGVKLUKEXIDSEH-UHFFFAOYSA-N 1 2 290.283 0.709 20 5 CCBDLO Cc1nc(N(C)C)nc(NCCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000493549615 420315748 /nfs/dbraw/zinc/31/57/48/420315748.db2.gz QFHCKBBOYYCNRH-UHFFFAOYSA-N 1 2 292.303 0.463 20 5 CCBDLO Cc1nc(NCCn2cc([N+](=O)[O-])cn2)nc(N(C)C)[nH+]1 ZINC000493549615 420315751 /nfs/dbraw/zinc/31/57/51/420315751.db2.gz QFHCKBBOYYCNRH-UHFFFAOYSA-N 1 2 292.303 0.463 20 5 CCBDLO CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C[NH3+])C1 ZINC000582545162 329104999 /nfs/dbraw/zinc/10/49/99/329104999.db2.gz PUVUFZISAUYMHD-SNVBAGLBSA-N 1 2 294.311 0.015 20 5 CCBDLO Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000576401427 335199347 /nfs/dbraw/zinc/19/93/47/335199347.db2.gz XTDLSNNAEKRVIV-UHFFFAOYSA-N 1 2 261.241 0.653 20 5 CCBDLO Cc1ccc(COC(=O)Cn2cnc([N+](=O)[O-])n2)c(C)[nH+]1 ZINC000772038681 581839017 /nfs/dbraw/zinc/83/90/17/581839017.db2.gz TZHMGZHCWQTALG-UHFFFAOYSA-N 1 2 291.267 0.942 20 5 CCBDLO CC(C)(Cn1cc(Cn2cc[nH+]c2)nn1)[N+](=O)[O-] ZINC000864642368 614128150 /nfs/dbraw/zinc/12/81/50/614128150.db2.gz MMOKYZXVCMMAFS-UHFFFAOYSA-N 1 2 250.262 0.578 20 5 CCBDLO CN(C)S(=O)(=O)c1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905031636 615970833 /nfs/dbraw/zinc/97/08/33/615970833.db2.gz UZALBLVVLSSSDS-UHFFFAOYSA-N 1 2 287.341 0.303 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1CO ZINC000913543145 616229876 /nfs/dbraw/zinc/22/98/76/616229876.db2.gz AOSXWULHSMXDMM-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1CO ZINC000913543145 616229877 /nfs/dbraw/zinc/22/98/77/616229877.db2.gz AOSXWULHSMXDMM-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]1CO ZINC000934023457 625005726 /nfs/dbraw/zinc/00/57/26/625005726.db2.gz RSTXOHSNBCTIMQ-BXKDBHETSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]1CO ZINC000934023457 625005728 /nfs/dbraw/zinc/00/57/28/625005728.db2.gz RSTXOHSNBCTIMQ-BXKDBHETSA-N 1 2 279.296 0.988 20 5 CCBDLO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH+](CCO)CC1 ZINC000036231503 631406910 /nfs/dbraw/zinc/40/69/10/631406910.db2.gz OYLKFCSCZFEEIQ-UHFFFAOYSA-N 1 2 297.286 0.484 20 5 CCBDLO Cn1cc(C[NH2+]CC[N+](=O)[O-])c(Br)n1 ZINC000905517065 634874333 /nfs/dbraw/zinc/87/43/33/634874333.db2.gz PVUNUNORJZYMOE-UHFFFAOYSA-N 1 2 263.095 0.549 20 5 CCBDLO O=C1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000044781374 636864530 /nfs/dbraw/zinc/86/45/30/636864530.db2.gz JQPLDQYTKZWXMH-UHFFFAOYSA-N 1 2 289.295 0.724 20 5 CCBDLO O=C1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000044781374 636864535 /nfs/dbraw/zinc/86/45/35/636864535.db2.gz JQPLDQYTKZWXMH-UHFFFAOYSA-N 1 2 289.295 0.724 20 5 CCBDLO Cn1cc[nH+]c1CCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842341384 642892772 /nfs/dbraw/zinc/89/27/72/642892772.db2.gz ZDGQTSWLFNKUAQ-RKDXNWHRSA-N 1 2 253.258 0.561 20 5 CCBDLO C[C@H](COC(=O)Cc1cn2c([nH+]1)CCCC2)[N+](=O)[O-] ZINC000845575288 643330795 /nfs/dbraw/zinc/33/07/95/643330795.db2.gz GSHZIDKYGACXDY-SECBINFHSA-N 1 2 267.285 0.970 20 5 CCBDLO O=[N+]([O-])c1ncn(Cc2[nH+]ccn2CC(F)F)n1 ZINC000871650333 646162171 /nfs/dbraw/zinc/16/21/71/646162171.db2.gz VSWXLJZGIVKLPX-UHFFFAOYSA-N 1 2 258.188 0.696 20 5 CCBDLO Cc1nn(C[NH+]2CCC3(CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000872789474 646325525 /nfs/dbraw/zinc/32/55/25/646325525.db2.gz SWSZSPOCBAAFLU-UHFFFAOYSA-N 1 2 293.327 0.659 20 5 CCBDLO CN(CC[N+](=O)[O-])CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000930113283 648824203 /nfs/dbraw/zinc/82/42/03/648824203.db2.gz KDOOLUCDMYHDLX-UHFFFAOYSA-N 1 2 258.366 0.221 20 5 CCBDLO CN1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931402536 648985229 /nfs/dbraw/zinc/98/52/29/648985229.db2.gz DFPKWNOFSGYMLA-ZIAGYGMSSA-N 1 2 295.339 0.237 20 5 CCBDLO CN1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931402536 648985231 /nfs/dbraw/zinc/98/52/31/648985231.db2.gz DFPKWNOFSGYMLA-ZIAGYGMSSA-N 1 2 295.339 0.237 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000932827365 649093501 /nfs/dbraw/zinc/09/35/01/649093501.db2.gz WHRKWAVDPIJTSJ-UHFFFAOYSA-N 1 2 290.283 0.380 20 5 CCBDLO O=[N+]([O-])c1cc[n+]([O-])c(NCC2([NH+]3CCCC3)COC2)c1 ZINC001157650751 801447251 /nfs/dbraw/zinc/44/72/51/801447251.db2.gz VHINOWOGIPBANM-UHFFFAOYSA-N 1 2 294.311 0.505 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001161945090 802252159 /nfs/dbraw/zinc/25/21/59/802252159.db2.gz DCJYZRTXUHWEPX-ZCFIWIBFSA-N 1 2 288.691 0.946 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1nccc(Cl)c1[N+](=O)[O-] ZINC001161946391 802253481 /nfs/dbraw/zinc/25/34/81/802253481.db2.gz XIHIRTSZLBVQPQ-SSDOTTSWSA-N 1 2 288.691 0.946 20 5 CCBDLO COc1ccnc(NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162679778 802386980 /nfs/dbraw/zinc/38/69/80/802386980.db2.gz ABNFIWYQBLCTSY-SECBINFHSA-N 1 2 282.300 0.741 20 5 CCBDLO COc1ccnc(NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162679778 802386989 /nfs/dbraw/zinc/38/69/89/802386989.db2.gz ABNFIWYQBLCTSY-SECBINFHSA-N 1 2 282.300 0.741 20 5 CCBDLO Cc1ncc([N+](=O)[O-])c(NC[C@H]([NH3+])C(=O)OC(C)(C)C)n1 ZINC001162850002 802428760 /nfs/dbraw/zinc/42/87/60/802428760.db2.gz QAMQSDJQMAXEAL-QMMMGPOBSA-N 1 2 297.315 0.774 20 5 CCBDLO Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001126936877 815326686 /nfs/dbraw/zinc/32/66/86/815326686.db2.gz VQJQQOLWGSMKJF-RKDXNWHRSA-N 1 2 284.341 0.323 20 5 CCBDLO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168978295 836077280 /nfs/dbraw/zinc/07/72/80/836077280.db2.gz QXJCNSLRHSBOJH-LMLFDSFASA-N 1 2 274.317 0.334 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C[NH2+]1 ZINC001156249969 836134663 /nfs/dbraw/zinc/13/46/63/836134663.db2.gz WUOQRQAOHAYTSJ-YUMQZZPRSA-N 1 2 281.272 0.009 20 5 CCBDLO O=C(NCC[NH+]1CC=CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001116511374 855779491 /nfs/dbraw/zinc/77/94/91/855779491.db2.gz QJPWWXXVNIYSCP-UHFFFAOYSA-N 1 2 277.280 0.902 20 5 CCBDLO COCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001483863356 896087501 /nfs/dbraw/zinc/08/75/01/896087501.db2.gz VJWRXLPQOGQZOB-CHWSQXEVSA-N 1 2 299.371 0.611 20 5 CCBDLO CC[C@H](C[NH+]1CCOCC1)Nc1nn(C)cc1[N+](=O)[O-] ZINC001307214208 908296281 /nfs/dbraw/zinc/29/62/81/908296281.db2.gz ZIEDMZWKVSCHHH-SNVBAGLBSA-N 1 2 283.332 0.851 20 5 CCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c([N+](=O)[O-])cnn1C ZINC001336761601 920984607 /nfs/dbraw/zinc/98/46/07/920984607.db2.gz RLNDBISFKUBVCQ-GHMZBOCLSA-N 1 2 295.343 0.628 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC2C[NH+](C(C)C)C2)n1 ZINC001447926559 930757015 /nfs/dbraw/zinc/75/70/15/930757015.db2.gz VWSPEPCNTVQROG-UHFFFAOYSA-N 1 2 281.316 0.634 20 5 CCBDLO CC(C)[NH+]1CC(NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000573329907 334928525 /nfs/dbraw/zinc/92/85/25/334928525.db2.gz QITDUAUDGHUQLF-UHFFFAOYSA-N 1 2 264.285 0.812 20 5 CCBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000600077012 361862586 /nfs/dbraw/zinc/86/25/86/361862586.db2.gz UGMAKOIQGKCZOE-UHFFFAOYSA-N 1 2 285.279 0.435 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000600427397 361959292 /nfs/dbraw/zinc/95/92/92/361959292.db2.gz WLEAKFZRTCQFAU-LBPRGKRZSA-N 1 2 293.323 0.584 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000600427397 361959299 /nfs/dbraw/zinc/95/92/99/361959299.db2.gz WLEAKFZRTCQFAU-LBPRGKRZSA-N 1 2 293.323 0.584 20 5 CCBDLO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000118494454 349903504 /nfs/dbraw/zinc/90/35/04/349903504.db2.gz BIPKWLRTVBAPLW-SECBINFHSA-N 1 2 279.296 0.982 20 5 CCBDLO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000118494454 349903508 /nfs/dbraw/zinc/90/35/08/349903508.db2.gz BIPKWLRTVBAPLW-SECBINFHSA-N 1 2 279.296 0.982 20 5 CCBDLO COCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602641405 362727497 /nfs/dbraw/zinc/72/74/97/362727497.db2.gz RBWGHTUKQCSRKS-LLVKDONJSA-N 1 2 284.316 0.566 20 5 CCBDLO COCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000602641405 362727499 /nfs/dbraw/zinc/72/74/99/362727499.db2.gz RBWGHTUKQCSRKS-LLVKDONJSA-N 1 2 284.316 0.566 20 5 CCBDLO C[C@H](C[NH3+])N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262285754 137035074 /nfs/dbraw/zinc/03/50/74/137035074.db2.gz XWMRXQMNKFBNQW-SSDOTTSWSA-N 1 2 253.258 0.720 20 5 CCBDLO Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343286346 137124747 /nfs/dbraw/zinc/12/47/47/137124747.db2.gz MEGQAOVSNOMPGH-UHFFFAOYSA-N 1 2 263.257 0.597 20 5 CCBDLO CN(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032534327 348134371 /nfs/dbraw/zinc/13/43/71/348134371.db2.gz 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COc1cc(NC[C@H]2C[N@H+](C)CCO2)cnc1[N+](=O)[O-] ZINC001162689808 802397574 /nfs/dbraw/zinc/39/75/74/802397574.db2.gz PIZUOUJXBFFQGA-JTQLQIEISA-N 1 2 282.300 0.741 20 5 CCBDLO COc1cc(NC[C@H]2C[N@@H+](C)CCO2)cnc1[N+](=O)[O-] ZINC001162689808 802397585 /nfs/dbraw/zinc/39/75/85/802397585.db2.gz PIZUOUJXBFFQGA-JTQLQIEISA-N 1 2 282.300 0.741 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2nccc(N)c2[N+](=O)[O-])C1 ZINC000311735993 804281747 /nfs/dbraw/zinc/28/17/47/804281747.db2.gz RUXCOUDITSWWQO-QMMMGPOBSA-N 1 2 267.289 0.315 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2nccc(N)c2[N+](=O)[O-])C1 ZINC000311735993 804281753 /nfs/dbraw/zinc/28/17/53/804281753.db2.gz RUXCOUDITSWWQO-QMMMGPOBSA-N 1 2 267.289 0.315 20 5 CCBDLO O=C(NCC[NH2+]C/C(Cl)=C\Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936881 815324627 /nfs/dbraw/zinc/32/46/27/815324627.db2.gz VUGIDLDECXUTPT-CTDODENGSA-N 1 2 282.127 0.676 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001157940030 837751125 /nfs/dbraw/zinc/75/11/25/837751125.db2.gz GLVVKETWYSILAG-UHFFFAOYSA-N 1 2 287.239 0.283 20 5 CCBDLO CN(C)C(=O)c1nc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001168968138 836088980 /nfs/dbraw/zinc/08/89/80/836088980.db2.gz WOEJJRQYNFZTFP-DTWKUNHWSA-N 1 2 297.315 0.306 20 5 CCBDLO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168974491 836091950 /nfs/dbraw/zinc/09/19/50/836091950.db2.gz QXJCNSLRHSBOJH-ZNSHCXBVSA-N 1 2 274.317 0.334 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(OC)c2[N+](=O)[O-])C[NH2+]1 ZINC001169129061 836143474 /nfs/dbraw/zinc/14/34/74/836143474.db2.gz JKDJZLABWXSZBQ-SFYZADRCSA-N 1 2 296.283 0.314 20 5 CCBDLO C[C@@H](C[N+](=O)[O-])OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845578447 840063853 /nfs/dbraw/zinc/06/38/53/840063853.db2.gz YGMSCBBMYFNLLI-VIFPVBQESA-N 1 2 267.285 0.970 20 5 CCBDLO O=C(Cn1cc[nH+]c1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093700626 841439416 /nfs/dbraw/zinc/43/94/16/841439416.db2.gz CLCUUCGBDJMYBY-UHFFFAOYSA-N 1 2 290.283 0.415 20 5 CCBDLO CC1(C(N)=O)C[NH+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001195516503 846561383 /nfs/dbraw/zinc/56/13/83/846561383.db2.gz SHCDVUAAJJFEGT-UHFFFAOYSA-N 1 2 250.258 0.297 20 5 CCBDLO CC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001096259637 851871730 /nfs/dbraw/zinc/87/17/30/851871730.db2.gz CBSILIPAONFUEA-UHFFFAOYSA-N 1 2 293.327 0.248 20 5 CCBDLO CC(C)C[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001053253704 852720180 /nfs/dbraw/zinc/72/01/80/852720180.db2.gz VSBNNMOVENEPLU-VXGBXAGGSA-N 1 2 297.355 0.221 20 5 CCBDLO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnn(C)n1 ZINC001118930873 856497029 /nfs/dbraw/zinc/49/70/29/856497029.db2.gz SYRZIDLPMJTZBE-QMMMGPOBSA-N 1 2 294.290 0.978 20 5 CCBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCCn1cc[nH+]c1 ZINC001323381416 912310771 /nfs/dbraw/zinc/31/07/71/912310771.db2.gz ZXLTXWCBIFNIBR-UHFFFAOYSA-N 1 2 292.251 0.196 20 5 CCBDLO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)n1cc[nH+]c1 ZINC001324094156 912661726 /nfs/dbraw/zinc/66/17/26/912661726.db2.gz PTBBZJPRXLCYFF-VIFPVBQESA-N 1 2 278.272 0.365 20 5 CCBDLO Cc1cccnc1C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480863259 891409154 /nfs/dbraw/zinc/40/91/54/891409154.db2.gz SMFHERFSZZBJFI-DGCLKSJQSA-N 1 2 292.339 0.603 20 5 CCBDLO Cc1cccnc1C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480863259 891409163 /nfs/dbraw/zinc/40/91/63/891409163.db2.gz SMFHERFSZZBJFI-DGCLKSJQSA-N 1 2 292.339 0.603 20 5 CCBDLO [NH3+][C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCOC1 ZINC001205227743 897632346 /nfs/dbraw/zinc/63/23/46/897632346.db2.gz RMYMKCANTGKMRJ-LLVKDONJSA-N 1 2 295.230 0.753 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001328727967 915390627 /nfs/dbraw/zinc/39/06/27/915390627.db2.gz YORXXGYMEVHRRN-MRVPVSSYSA-N 1 2 290.283 0.270 20 5 CCBDLO Cn1cc(CSCC[NH+]2CCOCC2)c([N+](=O)[O-])n1 ZINC001333144288 918685623 /nfs/dbraw/zinc/68/56/23/918685623.db2.gz KXURVEGAYWKJOD-UHFFFAOYSA-N 1 2 286.357 0.894 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC001444196665 929807890 /nfs/dbraw/zinc/80/78/90/929807890.db2.gz GEVQDSIQVPGDOF-UHFFFAOYSA-N 1 2 278.272 0.507 20 5 CCBDLO COCC[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093005506 349518819 /nfs/dbraw/zinc/51/88/19/349518819.db2.gz SKYHHPFDDWJETI-UHFFFAOYSA-N 1 2 270.285 0.741 20 5 CCBDLO COCC[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093005506 349518822 /nfs/dbraw/zinc/51/88/22/349518822.db2.gz SKYHHPFDDWJETI-UHFFFAOYSA-N 1 2 270.285 0.741 20 5 CCBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCc2[nH]c[nH+]c2C1 ZINC000599951670 361841147 /nfs/dbraw/zinc/84/11/47/361841147.db2.gz HBFTVISJJJAXPX-UHFFFAOYSA-N 1 2 262.229 0.240 20 5 CCBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000599951670 361841151 /nfs/dbraw/zinc/84/11/51/361841151.db2.gz HBFTVISJJJAXPX-UHFFFAOYSA-N 1 2 262.229 0.240 20 5 CCBDLO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000423641098 300676524 /nfs/dbraw/zinc/67/65/24/300676524.db2.gz HCLZGEIMSKXIPN-CBAPKCEASA-N 1 2 265.269 0.862 20 5 CCBDLO CN(C)C(=O)NCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602585174 362692073 /nfs/dbraw/zinc/69/20/73/362692073.db2.gz OPZKOHXUFGDTNZ-UHFFFAOYSA-N 1 2 284.320 0.031 20 5 CCBDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602585174 362692077 /nfs/dbraw/zinc/69/20/77/362692077.db2.gz OPZKOHXUFGDTNZ-UHFFFAOYSA-N 1 2 284.320 0.031 20 5 CCBDLO COCC1([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602798654 362806220 /nfs/dbraw/zinc/80/62/20/362806220.db2.gz MTWSFFQWRRMMKJ-UHFFFAOYSA-N 1 2 254.290 0.939 20 5 CCBDLO COCC1([N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602798654 362806226 /nfs/dbraw/zinc/80/62/26/362806226.db2.gz MTWSFFQWRRMMKJ-UHFFFAOYSA-N 1 2 254.290 0.939 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000602827140 362821757 /nfs/dbraw/zinc/82/17/57/362821757.db2.gz PYGYOYCJQUHPOS-ZDUSSCGKSA-N 1 2 296.327 0.591 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000602827140 362821761 /nfs/dbraw/zinc/82/17/61/362821761.db2.gz PYGYOYCJQUHPOS-ZDUSSCGKSA-N 1 2 296.327 0.591 20 5 CCBDLO COCC[C@H]1COCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602839699 362828534 /nfs/dbraw/zinc/82/85/34/362828534.db2.gz XAQIPACCBRTHME-LBPRGKRZSA-N 1 2 298.343 0.837 20 5 CCBDLO COCC[C@H]1COCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602839699 362828540 /nfs/dbraw/zinc/82/85/40/362828540.db2.gz XAQIPACCBRTHME-LBPRGKRZSA-N 1 2 298.343 0.837 20 5 CCBDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000340903767 137086155 /nfs/dbraw/zinc/08/61/55/137086155.db2.gz IWVPWPPOEZUSMA-NXEZZACHSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000340903767 137086156 /nfs/dbraw/zinc/08/61/56/137086156.db2.gz IWVPWPPOEZUSMA-NXEZZACHSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@H]([NH2+]Cc1nnnn1C)c1ccccc1[N+](=O)[O-] ZINC000342287068 137087682 /nfs/dbraw/zinc/08/76/82/137087682.db2.gz WLQWSVABHSYACV-QMMMGPOBSA-N 1 2 262.273 0.969 20 5 CCBDLO CC(C)[N@H+](CC(N)=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000031346025 348124550 /nfs/dbraw/zinc/12/45/50/348124550.db2.gz NDFWQWOJJFBXBM-UHFFFAOYSA-N 1 2 294.311 0.389 20 5 CCBDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000031346025 348124553 /nfs/dbraw/zinc/12/45/53/348124553.db2.gz NDFWQWOJJFBXBM-UHFFFAOYSA-N 1 2 294.311 0.389 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000048336747 348405695 /nfs/dbraw/zinc/40/56/95/348405695.db2.gz HOOGRNCYVOGEDQ-VIFPVBQESA-N 1 2 269.305 0.461 20 5 CCBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000347601234 137344896 /nfs/dbraw/zinc/34/48/96/137344896.db2.gz VPSZMBPCFXBHDT-JTQLQIEISA-N 1 2 296.327 0.764 20 5 CCBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000347601234 137344897 /nfs/dbraw/zinc/34/48/97/137344897.db2.gz VPSZMBPCFXBHDT-JTQLQIEISA-N 1 2 296.327 0.764 20 5 CCBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)s1 ZINC000064029093 348695889 /nfs/dbraw/zinc/69/58/89/348695889.db2.gz JSMLIBHNJXKBNP-UHFFFAOYSA-N 1 2 257.315 0.771 20 5 CCBDLO CNC(=O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083688583 349308532 /nfs/dbraw/zinc/30/85/32/349308532.db2.gz AGIDCPWLIGUXTR-UHFFFAOYSA-N 1 2 278.268 0.914 20 5 CCBDLO CNC(=O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083688583 349308535 /nfs/dbraw/zinc/30/85/35/349308535.db2.gz AGIDCPWLIGUXTR-UHFFFAOYSA-N 1 2 278.268 0.914 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603088494 362955979 /nfs/dbraw/zinc/95/59/79/362955979.db2.gz NEWKPFRJYPUQHD-HZMBPMFUSA-N 1 2 291.307 0.908 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603088494 362955986 /nfs/dbraw/zinc/95/59/86/362955986.db2.gz NEWKPFRJYPUQHD-HZMBPMFUSA-N 1 2 291.307 0.908 20 5 CCBDLO Cc1nn(C)c(C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000144726252 350464076 /nfs/dbraw/zinc/46/40/76/350464076.db2.gz QEPLFQTZMSEYPK-UHFFFAOYSA-N 1 2 267.289 0.024 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000110489868 186299088 /nfs/dbraw/zinc/29/90/88/186299088.db2.gz VNXJFVVRJQFVKY-JTQLQIEISA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000110489868 186299090 /nfs/dbraw/zinc/29/90/90/186299090.db2.gz VNXJFVVRJQFVKY-JTQLQIEISA-N 1 2 252.274 0.732 20 5 CCBDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172182495 350963530 /nfs/dbraw/zinc/96/35/30/350963530.db2.gz UWVRGSWCFDQESL-CQSZACIVSA-N 1 2 293.323 0.932 20 5 CCBDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172182495 350963534 /nfs/dbraw/zinc/96/35/34/350963534.db2.gz UWVRGSWCFDQESL-CQSZACIVSA-N 1 2 293.323 0.932 20 5 CCBDLO C[N@@H+](Cc1cscn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752686 351102426 /nfs/dbraw/zinc/10/24/26/351102426.db2.gz ARLRMMAZTNNKFO-LLVKDONJSA-N 1 2 297.340 0.741 20 5 CCBDLO C[N@H+](Cc1cscn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752686 351102428 /nfs/dbraw/zinc/10/24/28/351102428.db2.gz ARLRMMAZTNNKFO-LLVKDONJSA-N 1 2 297.340 0.741 20 5 CCBDLO CO[C@@H](C[NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000234729118 352167970 /nfs/dbraw/zinc/16/79/70/352167970.db2.gz SMEMZYCYVYUICG-MRVPVSSYSA-N 1 2 269.257 0.603 20 5 CCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)C1 ZINC000265039636 352615732 /nfs/dbraw/zinc/61/57/32/352615732.db2.gz MUPQXQYFMQDJRU-UWVGGRQHSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)C1 ZINC000265039636 352615734 /nfs/dbraw/zinc/61/57/34/352615734.db2.gz MUPQXQYFMQDJRU-UWVGGRQHSA-N 1 2 279.296 0.988 20 5 CCBDLO O=C(NCc1cn2c([nH+]1)CCCC2)c1[nH]ncc1[N+](=O)[O-] ZINC000270725899 352974343 /nfs/dbraw/zinc/97/43/43/352974343.db2.gz SLGOPASVHYWSSK-UHFFFAOYSA-N 1 2 290.283 0.781 20 5 CCBDLO COc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000278440484 353300242 /nfs/dbraw/zinc/30/02/42/353300242.db2.gz VUECQBVGZWHJNC-PHIMTYICSA-N 1 2 298.295 0.149 20 5 CCBDLO COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000278440484 353300245 /nfs/dbraw/zinc/30/02/45/353300245.db2.gz VUECQBVGZWHJNC-PHIMTYICSA-N 1 2 298.295 0.149 20 5 CCBDLO CCOC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157334906 188310955 /nfs/dbraw/zinc/31/09/55/188310955.db2.gz KDIYGJOOLVHSSI-UHFFFAOYSA-N 1 2 297.315 0.565 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](CCO)CC1 ZINC000286740185 353607423 /nfs/dbraw/zinc/60/74/23/353607423.db2.gz FBVKOWURAVEIBF-UHFFFAOYSA-N 1 2 269.276 0.848 20 5 CCBDLO CN(CC[NH+]1CCOCC1)Cc1c([N+](=O)[O-])ncn1C ZINC000331070358 354438173 /nfs/dbraw/zinc/43/81/73/354438173.db2.gz RYQRTLNWVJWAMD-UHFFFAOYSA-N 1 2 283.332 0.092 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000331082198 354443380 /nfs/dbraw/zinc/44/33/80/354443380.db2.gz ZLFSMWGSOWZPFQ-JTQLQIEISA-N 1 2 284.316 0.302 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000331082198 354443381 /nfs/dbraw/zinc/44/33/81/354443381.db2.gz ZLFSMWGSOWZPFQ-JTQLQIEISA-N 1 2 284.316 0.302 20 5 CCBDLO Cn1c[nH+]cc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000426492567 235338028 /nfs/dbraw/zinc/33/80/28/235338028.db2.gz SNXVXPRQHOICMZ-UHFFFAOYSA-N 1 2 275.268 0.841 20 5 CCBDLO C[C@H]1C[N@H+](C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343566032 355775291 /nfs/dbraw/zinc/77/52/91/355775291.db2.gz KPZCGCUULMQQRC-ZETCQYMHSA-N 1 2 253.262 0.094 20 5 CCBDLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343566032 355775293 /nfs/dbraw/zinc/77/52/93/355775293.db2.gz KPZCGCUULMQQRC-ZETCQYMHSA-N 1 2 253.262 0.094 20 5 CCBDLO COC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000353009503 356136907 /nfs/dbraw/zinc/13/69/07/356136907.db2.gz GRARDTMXXSKIDN-SNVBAGLBSA-N 1 2 282.296 0.665 20 5 CCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(n2cc[nH+]c2)C1 ZINC000609620253 363511328 /nfs/dbraw/zinc/51/13/28/363511328.db2.gz UBPMMDUIKOQWEL-UHFFFAOYSA-N 1 2 276.256 0.071 20 5 CCBDLO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000364314523 357107438 /nfs/dbraw/zinc/10/74/38/357107438.db2.gz 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Cc1noc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000595465583 360542665 /nfs/dbraw/zinc/54/26/65/360542665.db2.gz CLYKOIZBPIKWAG-NXEZZACHSA-N 1 2 285.300 0.863 20 5 CCBDLO Cc1noc(C[NH2+][C@](C)(C(N)=O)C(C)C)c1[N+](=O)[O-] ZINC000595484524 360548710 /nfs/dbraw/zinc/54/87/10/360548710.db2.gz QNNXLLIJZVWOQL-NSHDSACASA-N 1 2 270.289 0.881 20 5 CCBDLO COCCOCC[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595491885 360549832 /nfs/dbraw/zinc/54/98/32/360549832.db2.gz YKZJTLVDNMMPHA-UHFFFAOYSA-N 1 2 273.289 0.986 20 5 CCBDLO COCCOCC[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595491885 360549834 /nfs/dbraw/zinc/54/98/34/360549834.db2.gz YKZJTLVDNMMPHA-UHFFFAOYSA-N 1 2 273.289 0.986 20 5 CCBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000596247555 360852284 /nfs/dbraw/zinc/85/22/84/360852284.db2.gz QRQAMYOQLIWDGJ-NSHDSACASA-N 1 2 293.327 0.686 20 5 CCBDLO O=[N+]([O-])c1cnc2ccc(NCC[NH+]3CCOCC3)nn21 ZINC000301842725 201228711 /nfs/dbraw/zinc/22/87/11/201228711.db2.gz 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ZINC000522266789 285296268 /nfs/dbraw/zinc/29/62/68/285296268.db2.gz XBHQQKGYTKLRTH-SECBINFHSA-N 1 2 282.300 0.373 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000522266789 285296274 /nfs/dbraw/zinc/29/62/74/285296274.db2.gz XBHQQKGYTKLRTH-SECBINFHSA-N 1 2 282.300 0.373 20 5 CCBDLO COC(=O)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342701564 389244883 /nfs/dbraw/zinc/24/48/83/389244883.db2.gz YYGVRUGKPKSJCA-SNVBAGLBSA-N 1 2 298.295 0.439 20 5 CCBDLO COC(=O)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342701564 389244886 /nfs/dbraw/zinc/24/48/86/389244886.db2.gz YYGVRUGKPKSJCA-SNVBAGLBSA-N 1 2 298.295 0.439 20 5 CCBDLO COCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164600577 389435814 /nfs/dbraw/zinc/43/58/14/389435814.db2.gz FUWKWTDJSQSIGC-UHFFFAOYSA-N 1 2 299.283 0.944 20 5 CCBDLO COCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164600577 389435819 /nfs/dbraw/zinc/43/58/19/389435819.db2.gz FUWKWTDJSQSIGC-UHFFFAOYSA-N 1 2 299.283 0.944 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000432936240 389894388 /nfs/dbraw/zinc/89/43/88/389894388.db2.gz CPQMUZATICYSCO-JTQLQIEISA-N 1 2 281.316 0.542 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446071898 389930121 /nfs/dbraw/zinc/93/01/21/389930121.db2.gz NRYMWLYFQDXWCQ-SNVBAGLBSA-N 1 2 268.317 0.921 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000446071898 389930122 /nfs/dbraw/zinc/93/01/22/389930122.db2.gz NRYMWLYFQDXWCQ-SNVBAGLBSA-N 1 2 268.317 0.921 20 5 CCBDLO O=C1NCC[C@H]1[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535244135 390142047 /nfs/dbraw/zinc/14/20/47/390142047.db2.gz STJDFEOSWMXOHI-GFCCVEGCSA-N 1 2 261.281 0.841 20 5 CCBDLO O=C1NCC[C@H]1[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535244135 390142048 /nfs/dbraw/zinc/14/20/48/390142048.db2.gz STJDFEOSWMXOHI-GFCCVEGCSA-N 1 2 261.281 0.841 20 5 CCBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC(n2cc[nH+]c2)C1 ZINC000523689976 390640569 /nfs/dbraw/zinc/64/05/69/390640569.db2.gz LBYNOHDKBWSSJA-UHFFFAOYSA-N 1 2 261.241 0.817 20 5 CCBDLO CC(C)OC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372119958 144354227 /nfs/dbraw/zinc/35/42/27/144354227.db2.gz IRUHECDJYRFKSB-CYBMUJFWSA-N 1 2 298.343 0.917 20 5 CCBDLO CC(C)OC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372119958 144354228 /nfs/dbraw/zinc/35/42/28/144354228.db2.gz IRUHECDJYRFKSB-CYBMUJFWSA-N 1 2 298.343 0.917 20 5 CCBDLO Nc1nccc(C(=O)NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000548711848 286060915 /nfs/dbraw/zinc/06/09/15/286060915.db2.gz SSKOTQAZHGJZRE-UHFFFAOYSA-N 1 2 290.283 0.419 20 5 CCBDLO Nc1nc(NCCCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000553004111 286177721 /nfs/dbraw/zinc/17/77/21/286177721.db2.gz IIAWLBUNXAACNR-UHFFFAOYSA-N 1 2 277.288 0.308 20 5 CCBDLO O=[N+]([O-])c1cnccc1NCC[NH+]1CCOCC1 ZINC000020370349 171167906 /nfs/dbraw/zinc/16/79/06/171167906.db2.gz FSEHHUAGWVPBJY-UHFFFAOYSA-N 1 2 252.274 0.734 20 5 CCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285041268 196183980 /nfs/dbraw/zinc/18/39/80/196183980.db2.gz FGXUHAAXBZRAPQ-SSDOTTSWSA-N 1 2 264.245 0.333 20 5 CCBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000302910466 295179142 /nfs/dbraw/zinc/17/91/42/295179142.db2.gz LBZPRBIFOKGMFR-JTQLQIEISA-N 1 2 292.295 0.143 20 5 CCBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000302910466 295179144 /nfs/dbraw/zinc/17/91/44/295179144.db2.gz LBZPRBIFOKGMFR-JTQLQIEISA-N 1 2 292.295 0.143 20 5 CCBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340836456 526622055 /nfs/dbraw/zinc/62/20/55/526622055.db2.gz RUIWISFSGYLEOY-NSHDSACASA-N 1 2 294.311 0.516 20 5 CCBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340836456 526622059 /nfs/dbraw/zinc/62/20/59/526622059.db2.gz RUIWISFSGYLEOY-NSHDSACASA-N 1 2 294.311 0.516 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000788383690 581109766 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COC(=O)[C@H]1[C@@H]2C[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)C[C@@H]21 ZINC000793646134 581306365 /nfs/dbraw/zinc/30/63/65/581306365.db2.gz ZQLYZGCASXNPBS-JZYVYDRUSA-N 1 2 280.284 0.408 20 5 CCBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795690001 581419264 /nfs/dbraw/zinc/41/92/64/581419264.db2.gz IQBJVQCBFUTDEC-RYUDHWBXSA-N 1 2 295.343 0.544 20 5 CCBDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795690001 581419265 /nfs/dbraw/zinc/41/92/65/581419265.db2.gz IQBJVQCBFUTDEC-RYUDHWBXSA-N 1 2 295.343 0.544 20 5 CCBDLO COC(=O)[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])[C@H]1C ZINC000787236399 581462060 /nfs/dbraw/zinc/46/20/60/581462060.db2.gz CGIUMBPXZOPJTL-DTWKUNHWSA-N 1 2 268.273 0.632 20 5 CCBDLO COC(=O)[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])[C@H]1C ZINC000787236399 581462062 /nfs/dbraw/zinc/46/20/62/581462062.db2.gz CGIUMBPXZOPJTL-DTWKUNHWSA-N 1 2 268.273 0.632 20 5 CCBDLO COC(=O)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)[C@H]1C ZINC000787246552 581462552 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CC(C)[N@H+](C[C@H]1CCC(=O)N1)Cn1nccc1[N+](=O)[O-] ZINC000840187432 614299426 /nfs/dbraw/zinc/29/94/26/614299426.db2.gz GONDVPNZBAVFLZ-SNVBAGLBSA-N 1 2 281.316 0.738 20 5 CCBDLO CC(C)[N@@H+](C[C@H]1CCC(=O)N1)Cn1nccc1[N+](=O)[O-] ZINC000840187432 614299429 /nfs/dbraw/zinc/29/94/29/614299429.db2.gz GONDVPNZBAVFLZ-SNVBAGLBSA-N 1 2 281.316 0.738 20 5 CCBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])cnn1C ZINC000895798840 615480574 /nfs/dbraw/zinc/48/05/74/615480574.db2.gz JMOSTZBRJQSKGS-JTQLQIEISA-N 1 2 283.332 0.851 20 5 CCBDLO Cn1cc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000852553783 616091088 /nfs/dbraw/zinc/09/10/88/616091088.db2.gz XWTLEFANPKEJEC-CYBMUJFWSA-N 1 2 291.311 0.889 20 5 CCBDLO Cn1cc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000852553783 616091089 /nfs/dbraw/zinc/09/10/89/616091089.db2.gz XWTLEFANPKEJEC-CYBMUJFWSA-N 1 2 291.311 0.889 20 5 CCBDLO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000819634972 616720896 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Cc1nn(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000853559452 644121495 /nfs/dbraw/zinc/12/14/95/644121495.db2.gz SVSYNDYXQGUROX-GHMZBOCLSA-N 1 2 293.327 0.658 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000853559452 644121498 /nfs/dbraw/zinc/12/14/98/644121498.db2.gz SVSYNDYXQGUROX-GHMZBOCLSA-N 1 2 293.327 0.658 20 5 CCBDLO Cn1cc(C[N@@H+]2CCNC(=O)CC23CCC3)c([N+](=O)[O-])n1 ZINC000880167627 647165777 /nfs/dbraw/zinc/16/57/77/647165777.db2.gz UVEBWZXTRJEEBI-UHFFFAOYSA-N 1 2 293.327 0.573 20 5 CCBDLO Cn1cc(C[N@H+]2CCNC(=O)CC23CCC3)c([N+](=O)[O-])n1 ZINC000880167627 647165779 /nfs/dbraw/zinc/16/57/79/647165779.db2.gz UVEBWZXTRJEEBI-UHFFFAOYSA-N 1 2 293.327 0.573 20 5 CCBDLO O=C1CC2(CN(c3ccc([N+](=O)[O-])cc3)C2)[NH2+]CCN1 ZINC000882683936 647433904 /nfs/dbraw/zinc/43/39/04/647433904.db2.gz AAOFVWJZWRPLJD-UHFFFAOYSA-N 1 2 276.296 0.263 20 5 CCBDLO CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)C1C[NH+](C)C1 ZINC001157455374 801388715 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O=C(N[C@H]1CCn2c[nH+]cc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC001261783112 809088299 /nfs/dbraw/zinc/08/82/99/809088299.db2.gz FDBYYVRXANGUCI-ZETCQYMHSA-N 1 2 276.256 0.259 20 5 CCBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](CO)C1 ZINC000687589784 812610776 /nfs/dbraw/zinc/61/07/76/812610776.db2.gz DXTKFYRGZPPLDQ-SNVBAGLBSA-N 1 2 283.332 0.232 20 5 CCBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000687589784 812610778 /nfs/dbraw/zinc/61/07/78/812610778.db2.gz DXTKFYRGZPPLDQ-SNVBAGLBSA-N 1 2 283.332 0.232 20 5 CCBDLO Cc1ccc(C[NH+]2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001030291608 815960225 /nfs/dbraw/zinc/96/02/25/815960225.db2.gz CPEHJZYDGVPGCZ-ZIAGYGMSSA-N 1 2 289.335 0.961 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001168755865 819285208 /nfs/dbraw/zinc/28/52/08/819285208.db2.gz KWHSLBYJFQJPCZ-UHFFFAOYSA-N 1 2 275.228 0.216 20 5 CCBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@@H+]2CC[C@@H]2C1 ZINC001158431418 838171691 /nfs/dbraw/zinc/17/16/91/838171691.db2.gz FBDDIVBBPBCDEH-MRVPVSSYSA-N 1 2 284.703 0.776 20 5 CCBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[N@H+]2CC[C@@H]2C1 ZINC001158431418 838171693 /nfs/dbraw/zinc/17/16/93/838171693.db2.gz FBDDIVBBPBCDEH-MRVPVSSYSA-N 1 2 284.703 0.776 20 5 CCBDLO CCc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001177513933 842618851 /nfs/dbraw/zinc/61/88/51/842618851.db2.gz JGPBYRLSDYSNRD-RKDXNWHRSA-N 1 2 252.274 0.227 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nn(C)cc1[N+](=O)[O-] ZINC001186990378 844635709 /nfs/dbraw/zinc/63/57/09/844635709.db2.gz ZPDSVSWNWOCNDV-ZJUUUORDSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nn(C)cc1[N+](=O)[O-] ZINC001186990378 844635710 /nfs/dbraw/zinc/63/57/10/844635710.db2.gz ZPDSVSWNWOCNDV-ZJUUUORDSA-N 1 2 283.332 0.849 20 5 CCBDLO CN(CC[N@H+](C)CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482595474 894357719 /nfs/dbraw/zinc/35/77/19/894357719.db2.gz QAHGCNUUZSSVHL-RKDXNWHRSA-N 1 2 297.277 0.994 20 5 CCBDLO CN(CC[N@@H+](C)CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482595474 894357734 /nfs/dbraw/zinc/35/77/34/894357734.db2.gz QAHGCNUUZSSVHL-RKDXNWHRSA-N 1 2 297.277 0.994 20 5 CCBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303789711 908115570 /nfs/dbraw/zinc/11/55/70/908115570.db2.gz GDUZACZCUNLCTJ-JTQLQIEISA-N 1 2 296.327 0.764 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC001329105241 915676845 /nfs/dbraw/zinc/67/68/45/915676845.db2.gz NHLAJHBZYQEGHH-ZETCQYMHSA-N 1 2 276.256 0.698 20 5 CCBDLO CC[NH2+]Cc1noc(Cn2cc([N+](=O)[O-])nc2C)n1 ZINC001345957041 924023882 /nfs/dbraw/zinc/02/38/82/924023882.db2.gz IWVQROLDVOZBIT-UHFFFAOYSA-N 1 2 266.261 0.641 20 5 CCBDLO Cc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092735126 349504626 /nfs/dbraw/zinc/50/46/26/349504626.db2.gz OLBVMQLPFJDBLV-LBPRGKRZSA-N 1 2 279.296 0.589 20 5 CCBDLO Cc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092735126 349504627 /nfs/dbraw/zinc/50/46/27/349504627.db2.gz OLBVMQLPFJDBLV-LBPRGKRZSA-N 1 2 279.296 0.589 20 5 CCBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599654363 361774141 /nfs/dbraw/zinc/77/41/41/361774141.db2.gz ZTYIEHSDQKVNQY-WAAGHKOSSA-N 1 2 279.296 0.996 20 5 CCBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599654363 361774144 /nfs/dbraw/zinc/77/41/44/361774144.db2.gz ZTYIEHSDQKVNQY-WAAGHKOSSA-N 1 2 279.296 0.996 20 5 CCBDLO Nc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])c[nH+]1 ZINC000338432678 214593043 /nfs/dbraw/zinc/59/30/43/214593043.db2.gz WCTOUCBSZHTZFJ-UHFFFAOYSA-N 1 2 288.267 0.541 20 5 CCBDLO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000344520555 137198919 /nfs/dbraw/zinc/19/89/19/137198919.db2.gz ANKNKCJVQWIAPQ-UWVGGRQHSA-N 1 2 284.316 0.564 20 5 CCBDLO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000344520555 137198920 /nfs/dbraw/zinc/19/89/20/137198920.db2.gz ANKNKCJVQWIAPQ-UWVGGRQHSA-N 1 2 284.316 0.564 20 5 CCBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCOCC1 ZINC000046379004 348356980 /nfs/dbraw/zinc/35/69/80/348356980.db2.gz NZAHMVBYQGNNIC-SECBINFHSA-N 1 2 282.300 0.373 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046887958 348365276 /nfs/dbraw/zinc/36/52/76/348365276.db2.gz WNIMNZQNTIJWST-VIFPVBQESA-N 1 2 282.300 0.373 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000048336749 348405801 /nfs/dbraw/zinc/40/58/01/348405801.db2.gz HOOGRNCYVOGEDQ-SECBINFHSA-N 1 2 269.305 0.461 20 5 CCBDLO CC[C@@H](C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000348001292 137368302 /nfs/dbraw/zinc/36/83/02/137368302.db2.gz KKIBHRFJVWVSSV-MWLCHTKSSA-N 1 2 284.316 0.969 20 5 CCBDLO CC[C@H](C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000348001287 137368360 /nfs/dbraw/zinc/36/83/60/137368360.db2.gz KKIBHRFJVWVSSV-GXSJLCMTSA-N 1 2 284.316 0.969 20 5 CCBDLO NC(=O)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000051102511 348483557 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Cc1nn(C)c(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000195128772 351898411 /nfs/dbraw/zinc/89/84/11/351898411.db2.gz SRIZOQXWHOJSNV-UHFFFAOYSA-N 1 2 293.327 0.557 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555319247 290970160 /nfs/dbraw/zinc/97/01/60/290970160.db2.gz YPAGMWRWTBLOOS-VIFPVBQESA-N 1 2 297.315 0.111 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157616850 188327650 /nfs/dbraw/zinc/32/76/50/188327650.db2.gz GHXPDNRTAHLPME-ZJUUUORDSA-N 1 2 254.290 0.901 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157616850 188327651 /nfs/dbraw/zinc/32/76/51/188327651.db2.gz GHXPDNRTAHLPME-ZJUUUORDSA-N 1 2 254.290 0.901 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000286105033 353562276 /nfs/dbraw/zinc/56/22/76/353562276.db2.gz NTZVRIXSAGBNHV-AOOOYVTPSA-N 1 2 277.280 0.592 20 5 CCBDLO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000286875012 353615895 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CCBDLO C[NH+](C)CC1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597705927 361202607 /nfs/dbraw/zinc/20/26/07/361202607.db2.gz LICCPXYXRCEXJZ-UHFFFAOYSA-N 1 2 279.296 0.934 20 5 CCBDLO CN(Cc1c[nH+]c[nH]1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000597866546 361273552 /nfs/dbraw/zinc/27/35/52/361273552.db2.gz XWBAORJQPDYWIH-UHFFFAOYSA-N 1 2 264.245 0.173 20 5 CCBDLO CN(Cc1c[nH]c[nH+]1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000597866546 361273555 /nfs/dbraw/zinc/27/35/55/361273555.db2.gz XWBAORJQPDYWIH-UHFFFAOYSA-N 1 2 264.245 0.173 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[NH2+]C(CO)CO)c(F)c1 ZINC000516489171 249166525 /nfs/dbraw/zinc/16/65/25/249166525.db2.gz XRCSGLOPLWUNMB-UHFFFAOYSA-N 1 2 262.212 0.316 20 5 CCBDLO Cc1cc(S(=O)(=O)NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000443737242 285250803 /nfs/dbraw/zinc/25/08/03/285250803.db2.gz FOLXIKUJGMOOKF-UHFFFAOYSA-N 1 2 299.352 0.887 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000154068614 389310741 /nfs/dbraw/zinc/31/07/41/389310741.db2.gz 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ZINC000413310987 389494688 /nfs/dbraw/zinc/49/46/88/389494688.db2.gz CTZUFSXUDCHDFC-SECBINFHSA-N 1 2 284.291 0.632 20 5 CCBDLO CC1(C)C(=O)NCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269669014 389425297 /nfs/dbraw/zinc/42/52/97/389425297.db2.gz UDRVDLGHSMSUQR-GFCCVEGCSA-N 1 2 293.323 0.839 20 5 CCBDLO CC1(C)C(=O)NCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269669014 389425301 /nfs/dbraw/zinc/42/53/01/389425301.db2.gz UDRVDLGHSMSUQR-GFCCVEGCSA-N 1 2 293.323 0.839 20 5 CCBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000413964358 389586809 /nfs/dbraw/zinc/58/68/09/389586809.db2.gz DSRZXEFRNFPHAJ-UHFFFAOYSA-N 1 2 296.327 0.764 20 5 CCBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351806598 389687148 /nfs/dbraw/zinc/68/71/48/389687148.db2.gz FWXKPBKLDQRPLM-SKDRFNHKSA-N 1 2 279.296 0.846 20 5 CCBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351806598 389687152 /nfs/dbraw/zinc/68/71/52/389687152.db2.gz FWXKPBKLDQRPLM-SKDRFNHKSA-N 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/nfs/dbraw/zinc/25/98/54/351259854.db2.gz JSSWYCQBGGYDNW-BDAKNGLRSA-N 1 2 270.260 0.661 20 5 CCBDLO COc1cc([N+](=O)[O-])cn(CCn2cc[nH+]c2)c1=O ZINC000603360203 363087742 /nfs/dbraw/zinc/08/77/42/363087742.db2.gz WHYJSAXCNMPESN-UHFFFAOYSA-N 1 2 264.241 0.662 20 5 CCBDLO Cn1cc[nH+]c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000221015243 351975550 /nfs/dbraw/zinc/97/55/50/351975550.db2.gz PAJJEBZLPVCKFC-UHFFFAOYSA-N 1 2 293.258 0.980 20 5 CCBDLO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000235171205 352181186 /nfs/dbraw/zinc/18/11/86/352181186.db2.gz YFFYKIHZRPOKMZ-QMMMGPOBSA-N 1 2 267.285 0.980 20 5 CCBDLO O=C1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]2N1 ZINC000246600236 352375337 /nfs/dbraw/zinc/37/53/37/352375337.db2.gz MOLZCDIARRMHCV-NWDGAFQWSA-N 1 2 293.327 0.534 20 5 CCBDLO O=C1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]2N1 ZINC000246600236 352375341 /nfs/dbraw/zinc/37/53/41/352375341.db2.gz MOLZCDIARRMHCV-NWDGAFQWSA-N 1 2 293.327 0.534 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000247325935 352409720 /nfs/dbraw/zinc/40/97/20/352409720.db2.gz MSQXOPFNPAGISH-OLZOCXBDSA-N 1 2 296.327 0.671 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000247325935 352409722 /nfs/dbraw/zinc/40/97/22/352409722.db2.gz MSQXOPFNPAGISH-OLZOCXBDSA-N 1 2 296.327 0.671 20 5 CCBDLO O=[N+]([O-])c1cccnc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269534856 352840345 /nfs/dbraw/zinc/84/03/45/352840345.db2.gz ZSMQIMWUTLZIQG-SNVBAGLBSA-N 1 2 263.301 0.402 20 5 CCBDLO NC(=O)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153319891 188076457 /nfs/dbraw/zinc/07/64/57/188076457.db2.gz DELMCDSNPZOFJU-UHFFFAOYSA-N 1 2 292.295 0.754 20 5 CCBDLO NC(=O)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153319891 188076459 /nfs/dbraw/zinc/07/64/59/188076459.db2.gz DELMCDSNPZOFJU-UHFFFAOYSA-N 1 2 292.295 0.754 20 5 CCBDLO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@](=O)C1 ZINC000277557337 353250208 /nfs/dbraw/zinc/25/02/08/353250208.db2.gz TYUDXHYXSQGJNZ-DGIBIBHMSA-N 1 2 286.357 0.492 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@](=O)C1 ZINC000277557337 353250210 /nfs/dbraw/zinc/25/02/10/353250210.db2.gz TYUDXHYXSQGJNZ-DGIBIBHMSA-N 1 2 286.357 0.492 20 5 CCBDLO COc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000278440485 353300538 /nfs/dbraw/zinc/30/05/38/353300538.db2.gz VUECQBVGZWHJNC-QWRGUYRKSA-N 1 2 298.295 0.149 20 5 CCBDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000157503978 188321623 /nfs/dbraw/zinc/32/16/23/188321623.db2.gz VIWNVNJWSHLBKD-GHMZBOCLSA-N 1 2 284.316 0.263 20 5 CCBDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000157503978 188321625 /nfs/dbraw/zinc/32/16/25/188321625.db2.gz VIWNVNJWSHLBKD-GHMZBOCLSA-N 1 2 284.316 0.263 20 5 CCBDLO C[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000282841863 353455892 /nfs/dbraw/zinc/45/58/92/353455892.db2.gz VRFJPGCNMVWGST-UHFFFAOYSA-N 1 2 299.283 0.944 20 5 CCBDLO C[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000282841863 353455894 /nfs/dbraw/zinc/45/58/94/353455894.db2.gz VRFJPGCNMVWGST-UHFFFAOYSA-N 1 2 299.283 0.944 20 5 CCBDLO CCc1n[nH]c(C(=O)N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000291244788 353775495 /nfs/dbraw/zinc/77/54/95/353775495.db2.gz XQECMRPCFZDXGY-UHFFFAOYSA-N 1 2 290.283 0.733 20 5 CCBDLO CCc1[nH]nc(C(=O)N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000291244788 353775497 /nfs/dbraw/zinc/77/54/97/353775497.db2.gz XQECMRPCFZDXGY-UHFFFAOYSA-N 1 2 290.283 0.733 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299061438 353986932 /nfs/dbraw/zinc/98/69/32/353986932.db2.gz VGFVYLPOSRPVBD-VIFPVBQESA-N 1 2 282.300 0.373 20 5 CCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000299127227 353993029 /nfs/dbraw/zinc/99/30/29/353993029.db2.gz BVJWRUXCOUMQRN-QMMMGPOBSA-N 1 2 291.267 0.710 20 5 CCBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332187400 354627220 /nfs/dbraw/zinc/62/72/20/354627220.db2.gz AZXCJCVYCAITRV-OLZOCXBDSA-N 1 2 291.307 0.750 20 5 CCBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332187400 354627222 /nfs/dbraw/zinc/62/72/22/354627222.db2.gz AZXCJCVYCAITRV-OLZOCXBDSA-N 1 2 291.307 0.750 20 5 CCBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332295059 354641481 /nfs/dbraw/zinc/64/14/81/354641481.db2.gz YPWFRGCCPYSGBA-CHWSQXEVSA-N 1 2 291.307 0.750 20 5 CCBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332295059 354641482 /nfs/dbraw/zinc/64/14/82/354641482.db2.gz YPWFRGCCPYSGBA-CHWSQXEVSA-N 1 2 291.307 0.750 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000339139469 355493302 /nfs/dbraw/zinc/49/33/02/355493302.db2.gz FWTWOTLFHKKBJQ-YPMHNXCESA-N 1 2 282.296 0.930 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000361996158 138041800 /nfs/dbraw/zinc/04/18/00/138041800.db2.gz JYTIYSDHFYGLRR-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000361996158 138041801 /nfs/dbraw/zinc/04/18/01/138041801.db2.gz JYTIYSDHFYGLRR-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000354610866 356451642 /nfs/dbraw/zinc/45/16/42/356451642.db2.gz AVPDJPINVGWWMA-UHFFFAOYSA-N 1 2 285.325 0.579 20 5 CCBDLO C[C@H]1COCC[N@@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000609150167 363474812 /nfs/dbraw/zinc/47/48/12/363474812.db2.gz RXAINJKDXFCUHG-VIFPVBQESA-N 1 2 269.305 0.461 20 5 CCBDLO C[C@H]1COCC[N@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000609150167 363474816 /nfs/dbraw/zinc/47/48/16/363474816.db2.gz RXAINJKDXFCUHG-VIFPVBQESA-N 1 2 269.305 0.461 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCOC[C@@H]1C ZINC000609384016 363493369 /nfs/dbraw/zinc/49/33/69/363493369.db2.gz YBVFDYUESROAGE-NSHDSACASA-N 1 2 280.328 0.853 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000609384016 363493374 /nfs/dbraw/zinc/49/33/74/363493374.db2.gz YBVFDYUESROAGE-NSHDSACASA-N 1 2 280.328 0.853 20 5 CCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000580296199 359082016 /nfs/dbraw/zinc/08/20/16/359082016.db2.gz JZWPVIFJLOTCHR-QWRGUYRKSA-N 1 2 295.343 0.628 20 5 CCBDLO O=[N+]([O-])c1ccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)cc1 ZINC000594639838 360342528 /nfs/dbraw/zinc/34/25/28/360342528.db2.gz FMZHSBGKCJHQKA-LBPRGKRZSA-N 1 2 275.268 0.836 20 5 CCBDLO Cc1noc(CN(C)[C@@H]2CC[N@@H+]3CCO[C@H]2C3)c1[N+](=O)[O-] ZINC000595506657 360554575 /nfs/dbraw/zinc/55/45/75/360554575.db2.gz FOSUKEHWOMCCFK-MNOVXSKESA-N 1 2 296.327 0.796 20 5 CCBDLO Cc1noc(CN(C)[C@@H]2CC[N@H+]3CCO[C@H]2C3)c1[N+](=O)[O-] ZINC000595506657 360554579 /nfs/dbraw/zinc/55/45/79/360554579.db2.gz FOSUKEHWOMCCFK-MNOVXSKESA-N 1 2 296.327 0.796 20 5 CCBDLO Cc1noc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[N+](=O)[O-] ZINC000595506657 360554583 /nfs/dbraw/zinc/55/45/83/360554583.db2.gz FOSUKEHWOMCCFK-MNOVXSKESA-N 1 2 296.327 0.796 20 5 CCBDLO Cc1noc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[N+](=O)[O-] ZINC000595506657 360554585 /nfs/dbraw/zinc/55/45/85/360554585.db2.gz FOSUKEHWOMCCFK-MNOVXSKESA-N 1 2 296.327 0.796 20 5 CCBDLO Cc1c(C[NH3+])c(=NC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]n1C ZINC000595959069 360736185 /nfs/dbraw/zinc/73/61/85/360736185.db2.gz ADRTZWNWBYGMNI-UHFFFAOYSA-N 1 2 278.272 0.098 20 5 CCBDLO C[C@@H]1C[N@H+](CCNc2ccncc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434379 360893627 /nfs/dbraw/zinc/89/36/27/360893627.db2.gz XMGZUXULTDTWTR-WDEREUQCSA-N 1 2 280.328 0.933 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNc2ccncc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434379 360893634 /nfs/dbraw/zinc/89/36/34/360893634.db2.gz XMGZUXULTDTWTR-WDEREUQCSA-N 1 2 280.328 0.933 20 5 CCBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000596616446 360928646 /nfs/dbraw/zinc/92/86/46/360928646.db2.gz YYNJACJMLVWVRH-KOLCDFICSA-N 1 2 265.269 0.015 20 5 CCBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000596616446 360928655 /nfs/dbraw/zinc/92/86/55/360928655.db2.gz YYNJACJMLVWVRH-KOLCDFICSA-N 1 2 265.269 0.015 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000611727618 363769940 /nfs/dbraw/zinc/76/99/40/363769940.db2.gz PZFPKOISYQXNKX-PHIMTYICSA-N 1 2 266.301 0.963 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000611727618 363769944 /nfs/dbraw/zinc/76/99/44/363769944.db2.gz PZFPKOISYQXNKX-PHIMTYICSA-N 1 2 266.301 0.963 20 5 CCBDLO CCn1cc[nH+]c1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000598628981 361466728 /nfs/dbraw/zinc/46/67/28/361466728.db2.gz WMRNYKMMZHNORJ-UHFFFAOYSA-N 1 2 290.283 0.917 20 5 CCBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cn1 ZINC000598944205 361536059 /nfs/dbraw/zinc/53/60/59/361536059.db2.gz KGPDAKJWCZXZDQ-MRVPVSSYSA-N 1 2 273.252 0.541 20 5 CCBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302159024 201373213 /nfs/dbraw/zinc/37/32/13/201373213.db2.gz OFPXUORPUDBSJZ-JTQLQIEISA-N 1 2 280.332 0.433 20 5 CCBDLO CC(=O)NCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000518527619 249253451 /nfs/dbraw/zinc/25/34/51/249253451.db2.gz DOIIQTDQROUJDI-UHFFFAOYSA-N 1 2 267.285 0.868 20 5 CCBDLO CC(=O)NCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000518527619 249253454 /nfs/dbraw/zinc/25/34/54/249253454.db2.gz DOIIQTDQROUJDI-UHFFFAOYSA-N 1 2 267.285 0.868 20 5 CCBDLO CC(C)(NC(=O)CCn1cc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000571291172 291804151 /nfs/dbraw/zinc/80/41/51/291804151.db2.gz MIYAVZFBHPNXMF-UHFFFAOYSA-N 1 2 292.299 0.956 20 5 CCBDLO O=C1NCC[C@H]1[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178282510 296377140 /nfs/dbraw/zinc/37/71/40/296377140.db2.gz MDKUILUUPKGUGZ-CYBMUJFWSA-N 1 2 290.323 0.605 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC[C@@H](O)C1 ZINC000451230795 285155651 /nfs/dbraw/zinc/15/56/51/285155651.db2.gz RQOIEOZVVWVPFP-VIFPVBQESA-N 1 2 270.260 0.927 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000451230795 285155654 /nfs/dbraw/zinc/15/56/54/285155654.db2.gz RQOIEOZVVWVPFP-VIFPVBQESA-N 1 2 270.260 0.927 20 5 CCBDLO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347080 388821054 /nfs/dbraw/zinc/82/10/54/388821054.db2.gz FCMNKCMSCVYJNX-MRVPVSSYSA-N 1 2 280.284 0.610 20 5 CCBDLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347080 388821056 /nfs/dbraw/zinc/82/10/56/388821056.db2.gz FCMNKCMSCVYJNX-MRVPVSSYSA-N 1 2 280.284 0.610 20 5 CCBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1CCO ZINC000192540533 389043244 /nfs/dbraw/zinc/04/32/44/389043244.db2.gz SSJRBPRWFKCCFB-MRVPVSSYSA-N 1 2 272.330 0.554 20 5 CCBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+]1CCO ZINC000192540533 389043248 /nfs/dbraw/zinc/04/32/48/389043248.db2.gz SSJRBPRWFKCCFB-MRVPVSSYSA-N 1 2 272.330 0.554 20 5 CCBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1=O ZINC000276422166 389516563 /nfs/dbraw/zinc/51/65/63/389516563.db2.gz IOUBGPQDTFLOFU-JTQLQIEISA-N 1 2 279.296 0.667 20 5 CCBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1=O 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ZINC000598949974 361539238 /nfs/dbraw/zinc/53/92/38/361539238.db2.gz YLQUWACXZZQBRH-SECBINFHSA-N 1 2 287.279 0.931 20 5 CCBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598950878 361539319 /nfs/dbraw/zinc/53/93/19/361539319.db2.gz VGRVQOGVJOVNIS-ZETCQYMHSA-N 1 2 276.256 0.259 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000599160393 361592932 /nfs/dbraw/zinc/59/29/32/361592932.db2.gz HRSFKGVJQBOSCJ-JTQLQIEISA-N 1 2 291.311 0.636 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000599160393 361592933 /nfs/dbraw/zinc/59/29/33/361592933.db2.gz HRSFKGVJQBOSCJ-JTQLQIEISA-N 1 2 291.311 0.636 20 5 CCBDLO C[N@H+](CC(=O)NC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000026346554 388821487 /nfs/dbraw/zinc/82/14/87/388821487.db2.gz KOXOTHJKJMROMJ-UHFFFAOYSA-N 1 2 266.257 0.222 20 5 CCBDLO C[N@@H+](CC(=O)NC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000026346554 388821490 /nfs/dbraw/zinc/82/14/90/388821490.db2.gz KOXOTHJKJMROMJ-UHFFFAOYSA-N 1 2 266.257 0.222 20 5 CCBDLO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000047864960 388883003 /nfs/dbraw/zinc/88/30/03/388883003.db2.gz MYWJFXAAOYOLKW-SNVBAGLBSA-N 1 2 279.296 0.990 20 5 CCBDLO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000047864960 388883005 /nfs/dbraw/zinc/88/30/05/388883005.db2.gz MYWJFXAAOYOLKW-SNVBAGLBSA-N 1 2 279.296 0.990 20 5 CCBDLO CN(C)c1[nH+]cccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000135906657 389262509 /nfs/dbraw/zinc/26/25/09/389262509.db2.gz IAACZGLSSBYFMQ-UHFFFAOYSA-N 1 2 290.283 0.709 20 5 CCBDLO Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000153791656 389308493 /nfs/dbraw/zinc/30/84/93/389308493.db2.gz XUJWTPXGBNRCDX-GFCCVEGCSA-N 1 2 296.323 0.975 20 5 CCBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1=O ZINC000276422169 389516655 /nfs/dbraw/zinc/51/66/55/389516655.db2.gz IOUBGPQDTFLOFU-SNVBAGLBSA-N 1 2 279.296 0.667 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1=O ZINC000276422169 389516658 /nfs/dbraw/zinc/51/66/58/389516658.db2.gz IOUBGPQDTFLOFU-SNVBAGLBSA-N 1 2 279.296 0.667 20 5 CCBDLO CCOC(=O)C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000174867383 389531664 /nfs/dbraw/zinc/53/16/64/389531664.db2.gz OZBNVGWCRFJCGX-UHFFFAOYSA-N 1 2 270.289 0.723 20 5 CCBDLO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000423992193 389616921 /nfs/dbraw/zinc/61/69/21/389616921.db2.gz NWPSIGQSSCDQIG-SECBINFHSA-N 1 2 281.268 0.019 20 5 CCBDLO Cn1nnnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352550220 389831583 /nfs/dbraw/zinc/83/15/83/389831583.db2.gz LKXHMYXBUVSLTI-UHFFFAOYSA-N 1 2 276.300 0.793 20 5 CCBDLO Cn1nnnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352550220 389831586 /nfs/dbraw/zinc/83/15/86/389831586.db2.gz LKXHMYXBUVSLTI-UHFFFAOYSA-N 1 2 276.300 0.793 20 5 CCBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000431825630 389867285 /nfs/dbraw/zinc/86/72/85/389867285.db2.gz USNKDGAOHPGXPG-UHFFFAOYSA-N 1 2 293.327 0.376 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000432936242 389894004 /nfs/dbraw/zinc/89/40/04/389894004.db2.gz CPQMUZATICYSCO-SNVBAGLBSA-N 1 2 281.316 0.542 20 5 CCBDLO Cc1cc(CNc2ncc([N+](=O)[O-])c(N)n2)cc(C)[nH+]1 ZINC000420608025 390016494 /nfs/dbraw/zinc/01/64/94/390016494.db2.gz ALVULYHTXGKNPE-UHFFFAOYSA-N 1 2 274.284 0.843 20 5 CCBDLO CCc1n[nH]c(C(=O)NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457756490 390049435 /nfs/dbraw/zinc/04/94/35/390049435.db2.gz XTWBYPXJRRDJDJ-UHFFFAOYSA-N 1 2 281.316 0.703 20 5 CCBDLO O=C(N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262049970 131186751 /nfs/dbraw/zinc/18/67/51/131186751.db2.gz HGVOQWIWMNUWHR-MRVPVSSYSA-N 1 2 251.242 0.392 20 5 CCBDLO CC(=O)N1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000268677909 132047504 /nfs/dbraw/zinc/04/75/04/132047504.db2.gz LSMHOCHGZHNEDA-JTQLQIEISA-N 1 2 281.316 0.344 20 5 CCBDLO CC(=O)N1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000268677909 132047506 /nfs/dbraw/zinc/04/75/06/132047506.db2.gz LSMHOCHGZHNEDA-JTQLQIEISA-N 1 2 281.316 0.344 20 5 CCBDLO CC(C)(CNc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000357051631 144053872 /nfs/dbraw/zinc/05/38/72/144053872.db2.gz PQQBADBCHHTCLS-UHFFFAOYSA-N 1 2 280.328 0.934 20 5 CCBDLO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357071185 144056412 /nfs/dbraw/zinc/05/64/12/144056412.db2.gz QRXHZLWXSMBGGA-MRVPVSSYSA-N 1 2 267.285 0.886 20 5 CCBDLO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1 ZINC000357228262 144070620 /nfs/dbraw/zinc/07/06/20/144070620.db2.gz TUYLYKFPKQIFBR-UHFFFAOYSA-N 1 2 265.269 0.912 20 5 CCBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548951370 286081459 /nfs/dbraw/zinc/08/14/59/286081459.db2.gz ZBVZHNCZCUKXTE-QMMMGPOBSA-N 1 2 290.283 0.681 20 5 CCBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000285477922 196297707 /nfs/dbraw/zinc/29/77/07/196297707.db2.gz VPYSIYSBOCBTLR-BDAKNGLRSA-N 1 2 297.315 0.157 20 5 CCBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000427987448 279924125 /nfs/dbraw/zinc/92/41/25/279924125.db2.gz BGRFKYDYIPGEKV-MRVPVSSYSA-N 1 2 275.268 0.864 20 5 CCBDLO C[NH+](C)C1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302042046 282054195 /nfs/dbraw/zinc/05/41/95/282054195.db2.gz WRZQQTMVVPNTCG-UHFFFAOYSA-N 1 2 299.352 0.749 20 5 CCBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332226731 290097045 /nfs/dbraw/zinc/09/70/45/290097045.db2.gz KTKJATNVHREROZ-CHWSQXEVSA-N 1 2 291.307 0.750 20 5 CCBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332226731 290097046 /nfs/dbraw/zinc/09/70/46/290097046.db2.gz KTKJATNVHREROZ-CHWSQXEVSA-N 1 2 291.307 0.750 20 5 CCBDLO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340289956 304807882 /nfs/dbraw/zinc/80/78/82/304807882.db2.gz WHMKHNPVZQQKIC-UONOGXRCSA-N 1 2 293.323 0.477 20 5 CCBDLO COC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365126898 523530818 /nfs/dbraw/zinc/53/08/18/523530818.db2.gz UHBRVKJYHILAPQ-SECBINFHSA-N 1 2 282.300 0.990 20 5 CCBDLO NC(=O)C1(O)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000340213626 526852626 /nfs/dbraw/zinc/85/26/26/526852626.db2.gz CJXICLHKEGEJQO-UHFFFAOYSA-N 1 2 297.286 0.546 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000364916472 527490877 /nfs/dbraw/zinc/49/08/77/527490877.db2.gz NVMFQETYSSXPJB-QXEWZRGKSA-N 1 2 293.327 0.414 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000364916472 527490881 /nfs/dbraw/zinc/49/08/81/527490881.db2.gz NVMFQETYSSXPJB-QXEWZRGKSA-N 1 2 293.327 0.414 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000790454187 581187962 /nfs/dbraw/zinc/18/79/62/581187962.db2.gz OMRJMRGIHZLXKA-LLVKDONJSA-N 1 2 293.327 0.754 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000790454187 581187963 /nfs/dbraw/zinc/18/79/63/581187963.db2.gz OMRJMRGIHZLXKA-LLVKDONJSA-N 1 2 293.327 0.754 20 5 CCBDLO COC(=O)[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000779865467 581212100 /nfs/dbraw/zinc/21/21/00/581212100.db2.gz PAEMXUDFPJFVFG-PSASIEDQSA-N 1 2 282.300 0.798 20 5 CCBDLO COC(=O)[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000779865467 581212102 /nfs/dbraw/zinc/21/21/02/581212102.db2.gz PAEMXUDFPJFVFG-PSASIEDQSA-N 1 2 282.300 0.798 20 5 CCBDLO C[C@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782583282 581309289 /nfs/dbraw/zinc/30/92/89/581309289.db2.gz CDAMWOQDVDDAOD-GXFFZTMASA-N 1 2 293.323 0.791 20 5 CCBDLO C[C@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782583282 581309290 /nfs/dbraw/zinc/30/92/90/581309290.db2.gz CDAMWOQDVDDAOD-GXFFZTMASA-N 1 2 293.323 0.791 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCCn1cc[nH+]c1 ZINC000771936433 581834432 /nfs/dbraw/zinc/83/44/32/581834432.db2.gz HRWWRXPZFXSZDF-UHFFFAOYSA-N 1 2 292.251 0.196 20 5 CCBDLO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853603143 613933910 /nfs/dbraw/zinc/93/39/10/613933910.db2.gz XBXVQWJYKLXQTR-LLVKDONJSA-N 1 2 295.343 0.985 20 5 CCBDLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853603143 613933913 /nfs/dbraw/zinc/93/39/13/613933913.db2.gz XBXVQWJYKLXQTR-LLVKDONJSA-N 1 2 295.343 0.985 20 5 CCBDLO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839699129 615159966 /nfs/dbraw/zinc/15/99/66/615159966.db2.gz JBERXRSDYMSBSU-JHJVBQTASA-N 1 2 298.387 0.041 20 5 CCBDLO CCOc1ccc(NC(=O)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905061894 615511721 /nfs/dbraw/zinc/51/17/21/615511721.db2.gz UCOZTNXQARXFRW-UHFFFAOYSA-N 1 2 267.285 0.890 20 5 CCBDLO CN(C)c1cc[nH+]c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839724903 616029957 /nfs/dbraw/zinc/02/99/57/616029957.db2.gz STKVWKVYJYYILJ-RKDXNWHRSA-N 1 2 250.258 0.751 20 5 CCBDLO CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839724903 616029962 /nfs/dbraw/zinc/02/99/62/616029962.db2.gz STKVWKVYJYYILJ-RKDXNWHRSA-N 1 2 250.258 0.751 20 5 CCBDLO 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CCBDLO COC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815134386 616777819 /nfs/dbraw/zinc/77/78/19/616777819.db2.gz VWWJRZRXJQBRBS-RYUDHWBXSA-N 1 2 297.311 0.060 20 5 CCBDLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815134386 616777824 /nfs/dbraw/zinc/77/78/24/616777824.db2.gz VWWJRZRXJQBRBS-RYUDHWBXSA-N 1 2 297.311 0.060 20 5 CCBDLO CON1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000878686704 617091431 /nfs/dbraw/zinc/09/14/31/617091431.db2.gz FWUGWNPVRUCWBX-UHFFFAOYSA-N 1 2 269.305 0.279 20 5 CCBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+](CCO)CCO ZINC000050103249 622724439 /nfs/dbraw/zinc/72/44/39/622724439.db2.gz APOWPFLMOIYQAN-UHFFFAOYSA-N 1 2 258.249 0.521 20 5 CCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]1CO ZINC000934024238 625003052 /nfs/dbraw/zinc/00/30/52/625003052.db2.gz BEGIOEWGGHFCPK-CABZTGNLSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]1CO ZINC000934024238 625003054 /nfs/dbraw/zinc/00/30/54/625003054.db2.gz BEGIOEWGGHFCPK-CABZTGNLSA-N 1 2 279.296 0.988 20 5 CCBDLO O=C([C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000808209599 640855405 /nfs/dbraw/zinc/85/54/05/640855405.db2.gz YEPJJGWMNDKEDR-LLVKDONJSA-N 1 2 293.327 0.693 20 5 CCBDLO O=C([C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000808209599 640855406 /nfs/dbraw/zinc/85/54/06/640855406.db2.gz YEPJJGWMNDKEDR-LLVKDONJSA-N 1 2 293.327 0.693 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822522951 641676218 /nfs/dbraw/zinc/67/62/18/641676218.db2.gz IQKYNVYDPJTAHG-NSHDSACASA-N 1 2 287.360 0.659 20 5 CCBDLO C[C@@H]1C[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000822951907 641718336 /nfs/dbraw/zinc/71/83/36/641718336.db2.gz JJAIBCRAIYEAEW-LLVKDONJSA-N 1 2 287.360 0.659 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000822951907 641718343 /nfs/dbraw/zinc/71/83/43/641718343.db2.gz JJAIBCRAIYEAEW-LLVKDONJSA-N 1 2 287.360 0.659 20 5 CCBDLO O=C1CC[C@@H]2C[N@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@H]2N1 ZINC000853556288 644119789 /nfs/dbraw/zinc/11/97/89/644119789.db2.gz BCUJOMHZXCRXEE-MWLCHTKSSA-N 1 2 279.300 0.349 20 5 CCBDLO O=C1CC[C@@H]2C[N@@H+](Cn3cc([N+](=O)[O-])cn3)CC[C@H]2N1 ZINC000853556288 644119794 /nfs/dbraw/zinc/11/97/94/644119794.db2.gz BCUJOMHZXCRXEE-MWLCHTKSSA-N 1 2 279.300 0.349 20 5 CCBDLO COc1nc(NC[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001155192978 800926637 /nfs/dbraw/zinc/92/66/37/800926637.db2.gz AYFHWQNFBIXKBH-MRVPVSSYSA-N 1 2 283.288 0.136 20 5 CCBDLO COc1nc(NC[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001155192978 800926640 /nfs/dbraw/zinc/92/66/40/800926640.db2.gz AYFHWQNFBIXKBH-MRVPVSSYSA-N 1 2 283.288 0.136 20 5 CCBDLO CNc1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001164306002 802715657 /nfs/dbraw/zinc/71/56/57/802715657.db2.gz FPWMVWLAFAJWIP-XVKPBYJWSA-N 1 2 295.299 0.347 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2cnc(F)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001164308934 802717455 /nfs/dbraw/zinc/71/74/55/802717455.db2.gz VIKAXRFVBXRCIY-XPUUQOCRSA-N 1 2 284.247 0.444 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001262369955 809292750 /nfs/dbraw/zinc/29/27/50/809292750.db2.gz SNAPLGHEWLUGGH-SNVBAGLBSA-N 1 2 281.316 0.239 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1nccc(C)c1[N+](=O)[O-] ZINC001161945804 818525665 /nfs/dbraw/zinc/52/56/65/818525665.db2.gz POQYOZSFWISUBW-MRVPVSSYSA-N 1 2 268.273 0.601 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2N)C1 ZINC001155198051 822090760 /nfs/dbraw/zinc/09/07/60/822090760.db2.gz VTSQUUFLWGENMP-SECBINFHSA-N 1 2 267.289 0.315 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2N)C1 ZINC001155198051 822090763 /nfs/dbraw/zinc/09/07/63/822090763.db2.gz VTSQUUFLWGENMP-SECBINFHSA-N 1 2 267.289 0.315 20 5 CCBDLO COC(=O)[C@]1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOC1 ZINC001169001500 836095587 /nfs/dbraw/zinc/09/55/87/836095587.db2.gz GOZIKMZVJOYVMH-NHCYSSNCSA-N 1 2 272.301 0.354 20 5 CCBDLO C[N@@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000687594769 849121861 /nfs/dbraw/zinc/12/18/61/849121861.db2.gz DDBAQYRSYCIKOP-VIFPVBQESA-N 1 2 269.276 0.847 20 5 CCBDLO C[N@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000687594769 849121864 /nfs/dbraw/zinc/12/18/64/849121864.db2.gz DDBAQYRSYCIKOP-VIFPVBQESA-N 1 2 269.276 0.847 20 5 CCBDLO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)no1 ZINC001480974596 892005680 /nfs/dbraw/zinc/00/56/80/892005680.db2.gz PMBZTPBMUTZSBS-VXGBXAGGSA-N 1 2 296.327 0.586 20 5 CCBDLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)no1 ZINC001480974596 892005701 /nfs/dbraw/zinc/00/57/01/892005701.db2.gz PMBZTPBMUTZSBS-VXGBXAGGSA-N 1 2 296.327 0.586 20 5 CCBDLO Cn1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001490192758 900562578 /nfs/dbraw/zinc/56/25/78/900562578.db2.gz DVUSBYGEKCMXOG-VXGBXAGGSA-N 1 2 295.343 0.023 20 5 CCBDLO Cn1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001490192758 900562589 /nfs/dbraw/zinc/56/25/89/900562589.db2.gz DVUSBYGEKCMXOG-VXGBXAGGSA-N 1 2 295.343 0.023 20 5 CCBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1c[nH]nc1[N+](=O)[O-] ZINC001331478898 917363735 /nfs/dbraw/zinc/36/37/35/917363735.db2.gz OYZVRVUNVBHCSS-ZETCQYMHSA-N 1 2 262.229 0.389 20 5 CCBDLO O=C1OCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001336837502 921049670 /nfs/dbraw/zinc/04/96/70/921049670.db2.gz WHIWBONVKJYSPW-KTOWXAHTSA-N 1 2 266.257 0.400 20 5 CCBDLO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC001444462451 929876111 /nfs/dbraw/zinc/87/61/11/929876111.db2.gz PUWDWZBHFNVYCK-VIFPVBQESA-N 1 2 292.299 0.591 20 5 CCBDLO COC(=O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090526278 349438900 /nfs/dbraw/zinc/43/89/00/349438900.db2.gz VKCZUSZPEPSFOE-LLVKDONJSA-N 1 2 295.295 0.394 20 5 CCBDLO COC(=O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090526278 349438904 /nfs/dbraw/zinc/43/89/04/349438904.db2.gz VKCZUSZPEPSFOE-LLVKDONJSA-N 1 2 295.295 0.394 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000094268082 349565178 /nfs/dbraw/zinc/56/51/78/349565178.db2.gz JLNNDFYZLKQYBW-GFCCVEGCSA-N 1 2 252.270 0.788 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000094268082 349565180 /nfs/dbraw/zinc/56/51/80/349565180.db2.gz JLNNDFYZLKQYBW-GFCCVEGCSA-N 1 2 252.270 0.788 20 5 CCBDLO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3O)C[C@H]21 ZINC000599999534 361848773 /nfs/dbraw/zinc/84/87/73/361848773.db2.gz DPYWRJQUXPXTRH-PJXYFTJBSA-N 1 2 291.307 0.932 20 5 CCBDLO CCOCCOCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602629150 362721170 /nfs/dbraw/zinc/72/11/70/362721170.db2.gz JKILZWIKYQXZLX-UHFFFAOYSA-N 1 2 286.332 0.813 20 5 CCBDLO CCOCCOCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602629150 362721174 /nfs/dbraw/zinc/72/11/74/362721174.db2.gz JKILZWIKYQXZLX-UHFFFAOYSA-N 1 2 286.332 0.813 20 5 CCBDLO COC[C@H](C(N)=O)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000339359294 215119812 /nfs/dbraw/zinc/11/98/12/215119812.db2.gz RERPASQDDLORRX-GFCCVEGCSA-N 1 2 297.311 0.406 20 5 CCBDLO COC[C@H](C(N)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000339359294 215119814 /nfs/dbraw/zinc/11/98/14/215119814.db2.gz RERPASQDDLORRX-GFCCVEGCSA-N 1 2 297.311 0.406 20 5 CCBDLO Cc1nn(C)c(N[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000048336818 348405526 /nfs/dbraw/zinc/40/55/26/348405526.db2.gz VMZLJFGKXIGPHM-SECBINFHSA-N 1 2 283.332 0.769 20 5 CCBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000349230693 137390548 /nfs/dbraw/zinc/39/05/48/137390548.db2.gz AZDSEDHRYZVGCF-UHFFFAOYSA-N 1 2 290.283 0.709 20 5 CCBDLO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000347537532 137342108 /nfs/dbraw/zinc/34/21/08/137342108.db2.gz RVTWFRWVMRUQAG-MRVPVSSYSA-N 1 2 277.284 0.867 20 5 CCBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(N)=O)CC1 ZINC000054978070 348566753 /nfs/dbraw/zinc/56/67/53/348566753.db2.gz ZCDDCKWGTTXEKD-NSHDSACASA-N 1 2 292.339 0.759 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000065867863 348727742 /nfs/dbraw/zinc/72/77/42/348727742.db2.gz LQGKPCWNUSMAIP-SECBINFHSA-N 1 2 292.299 0.501 20 5 CCBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092006365 180305539 /nfs/dbraw/zinc/30/55/39/180305539.db2.gz UOPIIGYILRQSEL-ZWNOBZJWSA-N 1 2 293.323 0.978 20 5 CCBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092006365 180305541 /nfs/dbraw/zinc/30/55/41/180305541.db2.gz UOPIIGYILRQSEL-ZWNOBZJWSA-N 1 2 293.323 0.978 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086006 362955343 /nfs/dbraw/zinc/95/53/43/362955343.db2.gz DAHAASOAXKMHJG-HZMBPMFUSA-N 1 2 291.307 0.908 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603086006 362955349 /nfs/dbraw/zinc/95/53/49/362955349.db2.gz DAHAASOAXKMHJG-HZMBPMFUSA-N 1 2 291.307 0.908 20 5 CCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603089678 362957581 /nfs/dbraw/zinc/95/75/81/362957581.db2.gz SHCOMMOQWUEJEL-BFVZDQMLSA-N 1 2 291.307 0.988 20 5 CCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603089678 362957586 /nfs/dbraw/zinc/95/75/86/362957586.db2.gz SHCOMMOQWUEJEL-BFVZDQMLSA-N 1 2 291.307 0.988 20 5 CCBDLO O=C(C1CC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000531381981 358460350 /nfs/dbraw/zinc/46/03/50/358460350.db2.gz PSJKRAKKLNVEHO-UHFFFAOYSA-N 1 2 293.327 0.346 20 5 CCBDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246943 351165027 /nfs/dbraw/zinc/16/50/27/351165027.db2.gz WUROBMCVSAVFFB-VHSXEESVSA-N 1 2 298.299 0.054 20 5 CCBDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246943 351165032 /nfs/dbraw/zinc/16/50/32/351165032.db2.gz WUROBMCVSAVFFB-VHSXEESVSA-N 1 2 298.299 0.054 20 5 CCBDLO CC[C@H](C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000183670604 351386161 /nfs/dbraw/zinc/38/61/61/351386161.db2.gz SGCQORSZEVHALD-ONGXEEELSA-N 1 2 284.316 0.969 20 5 CCBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1CCO ZINC000188738627 351623478 /nfs/dbraw/zinc/62/34/78/351623478.db2.gz HXRJSRMGHUUMIJ-SECBINFHSA-N 1 2 299.352 0.795 20 5 CCBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1CCO ZINC000188738627 351623486 /nfs/dbraw/zinc/62/34/86/351623486.db2.gz HXRJSRMGHUUMIJ-SECBINFHSA-N 1 2 299.352 0.795 20 5 CCBDLO Cc1cc(OC[C@@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000122829034 187054189 /nfs/dbraw/zinc/05/41/89/187054189.db2.gz XJAOHMQUKOZTCI-LBPRGKRZSA-N 1 2 296.323 0.975 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[NH2+]1 ZINC000236582562 352198996 /nfs/dbraw/zinc/19/89/96/352198996.db2.gz QKTHJDUBYRXJKD-QMMMGPOBSA-N 1 2 251.242 0.991 20 5 CCBDLO O=[N+]([O-])c1cnc(NCC2([NH+]3CCOCC3)CC2)nc1 ZINC000277338427 353237615 /nfs/dbraw/zinc/23/76/15/353237615.db2.gz FGYHDJZMNZQPSA-UHFFFAOYSA-N 1 2 279.300 0.662 20 5 CCBDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331066045 354435856 /nfs/dbraw/zinc/43/58/56/354435856.db2.gz PVFVZPNTOSCVOJ-SNVBAGLBSA-N 1 2 281.316 0.429 20 5 CCBDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331066045 354435860 /nfs/dbraw/zinc/43/58/60/354435860.db2.gz PVFVZPNTOSCVOJ-SNVBAGLBSA-N 1 2 281.316 0.429 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCn2cc[nH+]c2C1 ZINC000332278886 354639141 /nfs/dbraw/zinc/63/91/41/354639141.db2.gz WBTWZXVTZCOUFR-UHFFFAOYSA-N 1 2 276.256 0.030 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3cncnc3C2)c1 ZINC000332162866 354622965 /nfs/dbraw/zinc/62/29/65/354622965.db2.gz OCSUHUAPHMNAEL-UHFFFAOYSA-N 1 2 274.284 0.640 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3cncnc3C2)c1 ZINC000332162866 354622966 /nfs/dbraw/zinc/62/29/66/354622966.db2.gz OCSUHUAPHMNAEL-UHFFFAOYSA-N 1 2 274.284 0.640 20 5 CCBDLO CC[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])s2)CCO1 ZINC000336978833 355238752 /nfs/dbraw/zinc/23/87/52/355238752.db2.gz BGJOFTDEJPNITR-SECBINFHSA-N 1 2 286.357 0.996 20 5 CCBDLO CC[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])s2)CCO1 ZINC000336978833 355238754 /nfs/dbraw/zinc/23/87/54/355238754.db2.gz BGJOFTDEJPNITR-SECBINFHSA-N 1 2 286.357 0.996 20 5 CCBDLO NC(=O)N[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339058579 355478952 /nfs/dbraw/zinc/47/89/52/355478952.db2.gz WPCUOXZLFCHLIK-VIFPVBQESA-N 1 2 280.284 0.543 20 5 CCBDLO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339058579 355478957 /nfs/dbraw/zinc/47/89/57/355478957.db2.gz WPCUOXZLFCHLIK-VIFPVBQESA-N 1 2 280.284 0.543 20 5 CCBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000532137783 358496909 /nfs/dbraw/zinc/49/69/09/358496909.db2.gz VQMCKBMMPUFHLU-SNVBAGLBSA-N 1 2 294.311 0.440 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000532137783 358496915 /nfs/dbraw/zinc/49/69/15/358496915.db2.gz VQMCKBMMPUFHLU-SNVBAGLBSA-N 1 2 294.311 0.440 20 5 CCBDLO Cn1nnnc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000341601127 355701691 /nfs/dbraw/zinc/70/16/91/355701691.db2.gz BCLOJXCAHZUZCC-UHFFFAOYSA-N 1 2 292.299 0.629 20 5 CCBDLO Cn1nnnc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000341601127 355701693 /nfs/dbraw/zinc/70/16/93/355701693.db2.gz BCLOJXCAHZUZCC-UHFFFAOYSA-N 1 2 292.299 0.629 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c(F)c1 ZINC000273521903 192185211 /nfs/dbraw/zinc/18/52/11/192185211.db2.gz SQKHISZYEQRLKU-WDEREUQCSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c(F)c1 ZINC000273521903 192185213 /nfs/dbraw/zinc/18/52/13/192185213.db2.gz SQKHISZYEQRLKU-WDEREUQCSA-N 1 2 270.260 0.661 20 5 CCBDLO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1[nH]cc[nH+]1 ZINC000354767385 356493998 /nfs/dbraw/zinc/49/39/98/356493998.db2.gz IRZYOUHFQAFJTQ-ZCFIWIBFSA-N 1 2 264.245 0.922 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H](O)C2)c(F)c1 ZINC000294792344 199184965 /nfs/dbraw/zinc/18/49/65/199184965.db2.gz MBZXHXASOCLYCI-LLVKDONJSA-N 1 2 270.260 0.927 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(F)c1 ZINC000294792344 199184966 /nfs/dbraw/zinc/18/49/66/199184966.db2.gz MBZXHXASOCLYCI-LLVKDONJSA-N 1 2 270.260 0.927 20 5 CCBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC(n2cc[nH+]c2)C1 ZINC000531180380 358446582 /nfs/dbraw/zinc/44/65/82/358446582.db2.gz DEOOABSEPBPMPU-UHFFFAOYSA-N 1 2 289.251 0.589 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000587056647 359298075 /nfs/dbraw/zinc/29/80/75/359298075.db2.gz LGFGRHIWZWCFDE-MRVPVSSYSA-N 1 2 290.283 0.568 20 5 CCBDLO O=C1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000589622649 359393643 /nfs/dbraw/zinc/39/36/43/359393643.db2.gz FMXSCGHTMNKJKE-UHFFFAOYSA-N 1 2 289.295 0.793 20 5 CCBDLO O=C1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000589622649 359393648 /nfs/dbraw/zinc/39/36/48/359393648.db2.gz FMXSCGHTMNKJKE-UHFFFAOYSA-N 1 2 289.295 0.793 20 5 CCBDLO C[C@H]1OCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000090552553 291205018 /nfs/dbraw/zinc/20/50/18/291205018.db2.gz PRNGTBKHOBKLBK-GHMZBOCLSA-N 1 2 281.312 0.866 20 5 CCBDLO C[C@H]1OCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000090552553 291205020 /nfs/dbraw/zinc/20/50/20/291205020.db2.gz PRNGTBKHOBKLBK-GHMZBOCLSA-N 1 2 281.312 0.866 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000595525000 360561259 /nfs/dbraw/zinc/56/12/59/360561259.db2.gz NHTLZDIZVXGFDH-LLVKDONJSA-N 1 2 270.260 0.927 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000595525000 360561263 /nfs/dbraw/zinc/56/12/63/360561263.db2.gz NHTLZDIZVXGFDH-LLVKDONJSA-N 1 2 270.260 0.927 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597996887 361305114 /nfs/dbraw/zinc/30/51/14/361305114.db2.gz QXFIUCUPFPDHPP-BDAKNGLRSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000597996887 361305116 /nfs/dbraw/zinc/30/51/16/361305116.db2.gz QXFIUCUPFPDHPP-BDAKNGLRSA-N 1 2 297.315 0.157 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598459007 361423636 /nfs/dbraw/zinc/42/36/36/361423636.db2.gz BWAOPKHMXMLSQD-SSDOTTSWSA-N 1 2 278.272 0.851 20 5 CCBDLO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598464687 361424743 /nfs/dbraw/zinc/42/47/43/361424743.db2.gz LKYMIIFPVBPXIM-ZETCQYMHSA-N 1 2 291.267 0.920 20 5 CCBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCn1cc([N+](=O)[O-])cn1 ZINC000492762969 249083403 /nfs/dbraw/zinc/08/34/03/249083403.db2.gz ILRIQGJNAQGQNW-OWOJBTEDSA-N 1 2 276.256 0.344 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000516494739 249167573 /nfs/dbraw/zinc/16/75/73/249167573.db2.gz PCNXSZOBKPODJE-ZANVPECISA-N 1 2 282.296 0.476 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000516494739 249167575 /nfs/dbraw/zinc/16/75/75/249167575.db2.gz PCNXSZOBKPODJE-ZANVPECISA-N 1 2 282.296 0.476 20 5 CCBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc1 ZINC000368189347 285174596 /nfs/dbraw/zinc/17/45/96/285174596.db2.gz PKHICZGRLNBCTJ-SNVBAGLBSA-N 1 2 279.300 0.296 20 5 CCBDLO Nc1c(C(=O)NCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000157312804 389330920 /nfs/dbraw/zinc/33/09/20/389330920.db2.gz XADBBQBRSHXDDE-UHFFFAOYSA-N 1 2 275.268 0.804 20 5 CCBDLO Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000153791734 389308693 /nfs/dbraw/zinc/30/86/93/389308693.db2.gz XUJWTPXGBNRCDX-LBPRGKRZSA-N 1 2 296.323 0.975 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000349761920 389431742 /nfs/dbraw/zinc/43/17/42/389431742.db2.gz AZQPNVCSFPBBEC-UHFFFAOYSA-N 1 2 291.315 0.374 20 5 CCBDLO Cc1cccc(N2CCC[N@H+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000372889039 389458703 /nfs/dbraw/zinc/45/87/03/389458703.db2.gz DMIGQONADBTHDS-UHFFFAOYSA-N 1 2 292.339 0.901 20 5 CCBDLO Cc1cccc(N2CCC[N@@H+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000372889039 389458704 /nfs/dbraw/zinc/45/87/04/389458704.db2.gz DMIGQONADBTHDS-UHFFFAOYSA-N 1 2 292.339 0.901 20 5 CCBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000380164281 389763146 /nfs/dbraw/zinc/76/31/46/389763146.db2.gz 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Cc1n[nH]c(C(=O)NCc2c[nH+]c(C)nc2N)c1[N+](=O)[O-] ZINC000552018916 286147713 /nfs/dbraw/zinc/14/77/13/286147713.db2.gz PWQVWDFSWIXCHQ-UHFFFAOYSA-N 1 2 291.271 0.067 20 5 CCBDLO CNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000266972618 277000480 /nfs/dbraw/zinc/00/04/80/277000480.db2.gz MMYKSTVCYNGKHP-UHFFFAOYSA-N 1 2 292.339 0.771 20 5 CCBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 ZINC000376668843 297029198 /nfs/dbraw/zinc/02/91/98/297029198.db2.gz AKJAVOZMWRKOQE-ZWNOBZJWSA-N 1 2 296.327 0.708 20 5 CCBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 ZINC000376668843 297029200 /nfs/dbraw/zinc/02/92/00/297029200.db2.gz AKJAVOZMWRKOQE-ZWNOBZJWSA-N 1 2 296.327 0.708 20 5 CCBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000791051413 581205949 /nfs/dbraw/zinc/20/59/49/581205949.db2.gz CPZPJFJIXBJERG-VIFPVBQESA-N 1 2 259.306 0.862 20 5 CCBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791051413 581205951 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C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC(C)(C)OC1=O ZINC000795662404 581418253 /nfs/dbraw/zinc/41/82/53/581418253.db2.gz UIRFAVNBVGZONW-SECBINFHSA-N 1 2 282.300 0.817 20 5 CCBDLO C[C@H](c1ccccc1)[N@H+](CC[N+](=O)[O-])CC(N)=O ZINC000787732233 581476410 /nfs/dbraw/zinc/47/64/10/581476410.db2.gz XLNOYUSAXBEEIU-SNVBAGLBSA-N 1 2 251.286 0.812 20 5 CCBDLO C[C@H](c1ccccc1)[N@@H+](CC[N+](=O)[O-])CC(N)=O ZINC000787732233 581476411 /nfs/dbraw/zinc/47/64/11/581476411.db2.gz XLNOYUSAXBEEIU-SNVBAGLBSA-N 1 2 251.286 0.812 20 5 CCBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000787997474 581484367 /nfs/dbraw/zinc/48/43/67/581484367.db2.gz SMSABAGEARHGMO-NOZJJQNGSA-N 1 2 284.287 0.909 20 5 CCBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000787997474 581484368 /nfs/dbraw/zinc/48/43/68/581484368.db2.gz SMSABAGEARHGMO-NOZJJQNGSA-N 1 2 284.287 0.909 20 5 CCBDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000921413738 616305250 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C[C@H](C[N+](=O)[O-])OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000814035516 641053711 /nfs/dbraw/zinc/05/37/11/641053711.db2.gz OLFCXIBYZPYUAE-BDAKNGLRSA-N 1 2 262.331 0.632 20 5 CCBDLO C[C@H](C[N+](=O)[O-])OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000814035516 641053714 /nfs/dbraw/zinc/05/37/14/641053714.db2.gz OLFCXIBYZPYUAE-BDAKNGLRSA-N 1 2 262.331 0.632 20 5 CCBDLO Cn1cnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819199570 641388678 /nfs/dbraw/zinc/38/86/78/641388678.db2.gz AZHFNHSGCPUCQP-LLVKDONJSA-N 1 2 277.284 0.547 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000853559454 644121095 /nfs/dbraw/zinc/12/10/95/644121095.db2.gz SVSYNDYXQGUROX-MNOVXSKESA-N 1 2 293.327 0.658 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000853559454 644121099 /nfs/dbraw/zinc/12/10/99/644121099.db2.gz SVSYNDYXQGUROX-MNOVXSKESA-N 1 2 293.327 0.658 20 5 CCBDLO Cc1cc[nH+]c(N2CCN(CC[N+](=O)[O-])CC2)c1 ZINC000929844130 648802143 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CN1CC[NH+](CCO[C@H](C[N+](=O)[O-])C2CC2)CC1 ZINC001224548365 805048760 /nfs/dbraw/zinc/04/87/60/805048760.db2.gz AXFDLRZZIWXSQG-GFCCVEGCSA-N 1 2 257.334 0.306 20 5 CCBDLO C[N@@H+]1CCO[C@H](COc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112248 805324893 /nfs/dbraw/zinc/32/48/93/805324893.db2.gz YYBAZXYVLCSDBY-VIFPVBQESA-N 1 2 298.255 0.607 20 5 CCBDLO C[N@H+]1CCO[C@H](COc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112248 805324900 /nfs/dbraw/zinc/32/49/00/805324900.db2.gz YYBAZXYVLCSDBY-VIFPVBQESA-N 1 2 298.255 0.607 20 5 CCBDLO CCOc1cc([N+](=O)[O-])ccc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168761155 819797442 /nfs/dbraw/zinc/79/74/42/819797442.db2.gz LHEJQVPAAWKTGG-UHFFFAOYSA-N 1 2 279.256 0.739 20 5 CCBDLO Cc1[nH+]c[nH]c1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001148760626 840888814 /nfs/dbraw/zinc/88/88/14/840888814.db2.gz CJHFZFIUPILSHT-UHFFFAOYSA-N 1 2 284.663 0.933 20 5 CCBDLO C[C@@H](O)[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247617926 841098145 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O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000857990141 644589834 /nfs/dbraw/zinc/58/98/34/644589834.db2.gz RXTAEAREHOAGOT-ZETCQYMHSA-N 1 2 261.241 0.994 20 5 CCBDLO O=[N+]([O-])c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1Cl ZINC000862445986 645000517 /nfs/dbraw/zinc/00/05/17/645000517.db2.gz LECMOZFXZNHACD-QWRGUYRKSA-N 1 2 272.688 0.786 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(OC)n1 ZINC001161945008 802251953 /nfs/dbraw/zinc/25/19/53/802251953.db2.gz BUAGVSMODNKLFO-SSDOTTSWSA-N 1 2 284.272 0.301 20 5 CCBDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173123 805201088 /nfs/dbraw/zinc/20/10/88/805201088.db2.gz QAKXVIQZMISDSJ-SNVBAGLBSA-N 1 2 295.295 0.403 20 5 CCBDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173123 805201095 /nfs/dbraw/zinc/20/10/95/805201095.db2.gz QAKXVIQZMISDSJ-SNVBAGLBSA-N 1 2 295.295 0.403 20 5 CCBDLO O=c1[nH]cnc(O[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001228139873 805416193 /nfs/dbraw/zinc/41/61/93/805416193.db2.gz BZBLUCZQFKJBOW-SSDOTTSWSA-N 1 2 277.240 0.681 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000703805731 819329413 /nfs/dbraw/zinc/32/94/13/819329413.db2.gz JWZWPXYVEKRZQC-GFCCVEGCSA-N 1 2 279.296 0.343 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000703805731 819329421 /nfs/dbraw/zinc/32/94/21/819329421.db2.gz JWZWPXYVEKRZQC-GFCCVEGCSA-N 1 2 279.296 0.343 20 5 CCBDLO Cc1nn(C)c(C(=O)NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC001183658004 844073653 /nfs/dbraw/zinc/07/36/53/844073653.db2.gz CLKVKYGCHGCTCV-UHFFFAOYSA-N 1 2 292.299 0.343 20 5 CCBDLO C[N@@H+]1CCN(c2ccsc2[N+](=O)[O-])C[C@H]1CO ZINC000687595621 849122599 /nfs/dbraw/zinc/12/25/99/849122599.db2.gz PXPQTQUDIONTEA-QMMMGPOBSA-N 1 2 257.315 0.769 20 5 CCBDLO C[N@H+]1CCN(c2ccsc2[N+](=O)[O-])C[C@H]1CO ZINC000687595621 849122604 /nfs/dbraw/zinc/12/26/04/849122604.db2.gz PXPQTQUDIONTEA-QMMMGPOBSA-N 1 2 257.315 0.769 20 5 CCBDLO Cc1nc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001324486142 912871484 /nfs/dbraw/zinc/87/14/84/912871484.db2.gz IUEAFHWJSFECDD-MWLCHTKSSA-N 1 2 281.316 0.824 20 5 CCBDLO Cc1nc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001324486142 912871492 /nfs/dbraw/zinc/87/14/92/912871492.db2.gz IUEAFHWJSFECDD-MWLCHTKSSA-N 1 2 281.316 0.824 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC001324677079 912979271 /nfs/dbraw/zinc/97/92/71/912979271.db2.gz MNGOZSABJSUYAR-UHFFFAOYSA-N 1 2 276.256 0.181 20 5 CCBDLO C[NH+]1CCC(n2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cn2)CC1 ZINC001287760016 905964106 /nfs/dbraw/zinc/96/41/06/905964106.db2.gz HQZSXJVJWNPXKN-VXGBXAGGSA-N 1 2 293.327 0.754 20 5 CCBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)n1 ZINC001301605287 907978319 /nfs/dbraw/zinc/97/83/19/907978319.db2.gz IMZVIVMGKDGUPQ-LLVKDONJSA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)n1 ZINC001301605287 907978328 /nfs/dbraw/zinc/97/83/28/907978328.db2.gz IMZVIVMGKDGUPQ-LLVKDONJSA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC001329103905 915672533 /nfs/dbraw/zinc/67/25/33/915672533.db2.gz ALTOMQIQCVCVBV-QMMMGPOBSA-N 1 2 290.283 0.568 20 5 CCBDLO C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592951885 980043026 /nfs/dbraw/zinc/04/30/26/980043026.db2.gz NEIFOXKKVKVYMO-BDAKNGLRSA-N 1 2 297.311 0.884 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599640379 361767588 /nfs/dbraw/zinc/76/75/88/361767588.db2.gz CVLKWAIIDVRUNU-NSHDSACASA-N 1 2 272.280 0.852 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599640379 361767591 /nfs/dbraw/zinc/76/75/91/361767591.db2.gz CVLKWAIIDVRUNU-NSHDSACASA-N 1 2 272.280 0.852 20 5 CCBDLO O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000600069818 361861313 /nfs/dbraw/zinc/86/13/13/361861313.db2.gz UHSOHLFBVBNIGH-UHFFFAOYSA-N 1 2 295.295 0.781 20 5 CCBDLO COC1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000358456876 232104106 /nfs/dbraw/zinc/10/41/06/232104106.db2.gz RMUGXECREWHWSX-LLVKDONJSA-N 1 2 282.296 0.665 20 5 CCBDLO COC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000119191884 349922773 /nfs/dbraw/zinc/92/27/73/349922773.db2.gz AQRKMXACXYBCHQ-LBPRGKRZSA-N 1 2 297.311 0.544 20 5 CCBDLO Cc1cn2c(n1)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602599017 362703658 /nfs/dbraw/zinc/70/36/58/362703658.db2.gz FKCOYQAMUHVOCY-UHFFFAOYSA-N 1 2 276.300 0.849 20 5 CCBDLO Cc1cn2c(n1)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602599017 362703663 /nfs/dbraw/zinc/70/36/63/362703663.db2.gz FKCOYQAMUHVOCY-UHFFFAOYSA-N 1 2 276.300 0.849 20 5 CCBDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602725179 362772947 /nfs/dbraw/zinc/77/29/47/362772947.db2.gz YPUMMIHSKGFRAY-GFCCVEGCSA-N 1 2 298.299 0.092 20 5 CCBDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602725179 362772954 /nfs/dbraw/zinc/77/29/54/362772954.db2.gz YPUMMIHSKGFRAY-GFCCVEGCSA-N 1 2 298.299 0.092 20 5 CCBDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])nc1 ZINC000344444952 137195277 /nfs/dbraw/zinc/19/52/77/137195277.db2.gz WZAHPXMSHWNYKQ-UHFFFAOYSA-N 1 2 266.301 0.758 20 5 CCBDLO COC[C@H](C(N)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000339367024 215125681 /nfs/dbraw/zinc/12/56/81/215125681.db2.gz PYOPVXIURLRJDM-GFCCVEGCSA-N 1 2 281.312 0.835 20 5 CCBDLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000339367024 215125685 /nfs/dbraw/zinc/12/56/85/215125685.db2.gz PYOPVXIURLRJDM-GFCCVEGCSA-N 1 2 281.312 0.835 20 5 CCBDLO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448851 348078107 /nfs/dbraw/zinc/07/81/07/348078107.db2.gz AMEIWTGYJPVFDS-UHFFFAOYSA-N 1 2 253.258 0.966 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](CCO)CC1 ZINC000042256408 348271416 /nfs/dbraw/zinc/27/14/16/348271416.db2.gz JOZMCVIIQORKRR-UHFFFAOYSA-N 1 2 297.286 0.484 20 5 CCBDLO COc1ccc(C[N@H+](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000047496050 348377492 /nfs/dbraw/zinc/37/74/92/348377492.db2.gz VCENBOFSKDJREO-UHFFFAOYSA-N 1 2 253.258 0.521 20 5 CCBDLO COc1ccc(C[N@@H+](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000047496050 348377494 /nfs/dbraw/zinc/37/74/94/348377494.db2.gz VCENBOFSKDJREO-UHFFFAOYSA-N 1 2 253.258 0.521 20 5 CCBDLO Cc1ccn(CC[N@@H+]2CCO[C@@H](C)C2)c(=O)c1[N+](=O)[O-] ZINC000347704834 137351949 /nfs/dbraw/zinc/35/19/49/137351949.db2.gz VOAKYBCOQORAGF-NSHDSACASA-N 1 2 281.312 0.786 20 5 CCBDLO Cc1ccn(CC[N@H+]2CCO[C@@H](C)C2)c(=O)c1[N+](=O)[O-] ZINC000347704834 137351950 /nfs/dbraw/zinc/35/19/50/137351950.db2.gz VOAKYBCOQORAGF-NSHDSACASA-N 1 2 281.312 0.786 20 5 CCBDLO NC(=O)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000051104387 348484485 /nfs/dbraw/zinc/48/44/85/348484485.db2.gz WBZRVPBXJYTWKO-LBPRGKRZSA-N 1 2 295.295 0.160 20 5 CCBDLO NC(=O)[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000051104387 348484488 /nfs/dbraw/zinc/48/44/88/348484488.db2.gz WBZRVPBXJYTWKO-LBPRGKRZSA-N 1 2 295.295 0.160 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCn1cc[nH+]c1 ZINC000049448221 348453063 /nfs/dbraw/zinc/45/30/63/348453063.db2.gz OELJVDQYBMPUAZ-UHFFFAOYSA-N 1 2 278.272 0.113 20 5 CCBDLO CCOC(=O)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000050067009 348464841 /nfs/dbraw/zinc/46/48/41/348464841.db2.gz HQBLXYLETVQQOW-UHFFFAOYSA-N 1 2 270.289 0.595 20 5 CCBDLO CCOC(=O)C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000050067009 348464845 /nfs/dbraw/zinc/46/48/45/348464845.db2.gz HQBLXYLETVQQOW-UHFFFAOYSA-N 1 2 270.289 0.595 20 5 CCBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCOCC1 ZINC000052894420 348517085 /nfs/dbraw/zinc/51/70/85/348517085.db2.gz WDEXKVACDVLJGO-UHFFFAOYSA-N 1 2 296.327 0.764 20 5 CCBDLO CS(=O)(=O)NCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606442 349369154 /nfs/dbraw/zinc/36/91/54/349369154.db2.gz NWLFQKSSCUCCIO-UHFFFAOYSA-N 1 2 299.352 0.502 20 5 CCBDLO CS(=O)(=O)NCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606442 349369157 /nfs/dbraw/zinc/36/91/57/349369157.db2.gz NWLFQKSSCUCCIO-UHFFFAOYSA-N 1 2 299.352 0.502 20 5 CCBDLO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000106393542 186113444 /nfs/dbraw/zinc/11/34/44/186113444.db2.gz SOWIMCMXBZGTOZ-JTQLQIEISA-N 1 2 297.311 0.717 20 5 CCBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000157204480 350642057 /nfs/dbraw/zinc/64/20/57/350642057.db2.gz AHEVVBPDJAGINN-SNVBAGLBSA-N 1 2 291.315 0.757 20 5 CCBDLO Cn1cnnc1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000157204480 350642061 /nfs/dbraw/zinc/64/20/61/350642061.db2.gz AHEVVBPDJAGINN-SNVBAGLBSA-N 1 2 291.315 0.757 20 5 CCBDLO C[N@@H+](Cc1cscn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752675 351101949 /nfs/dbraw/zinc/10/19/49/351101949.db2.gz ARLRMMAZTNNKFO-NSHDSACASA-N 1 2 297.340 0.741 20 5 CCBDLO C[N@H+](Cc1cscn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752675 351101955 /nfs/dbraw/zinc/10/19/55/351101955.db2.gz ARLRMMAZTNNKFO-NSHDSACASA-N 1 2 297.340 0.741 20 5 CCBDLO CC[C@H]1C(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174870193 351107494 /nfs/dbraw/zinc/10/74/94/351107494.db2.gz XVQGGVJICSETBA-JTQLQIEISA-N 1 2 267.289 0.002 20 5 CCBDLO CC[C@H]1C(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174870193 351107496 /nfs/dbraw/zinc/10/74/96/351107496.db2.gz XVQGGVJICSETBA-JTQLQIEISA-N 1 2 267.289 0.002 20 5 CCBDLO COc1cc([N+](=O)[O-])cn(CC[N@@H+]2CCO[C@@H](C)C2)c1=O ZINC000603360192 363087178 /nfs/dbraw/zinc/08/71/78/363087178.db2.gz WCAWZRSZVNXYQF-JTQLQIEISA-N 1 2 297.311 0.486 20 5 CCBDLO COc1cc([N+](=O)[O-])cn(CC[N@H+]2CCO[C@@H](C)C2)c1=O ZINC000603360192 363087186 /nfs/dbraw/zinc/08/71/86/363087186.db2.gz WCAWZRSZVNXYQF-JTQLQIEISA-N 1 2 297.311 0.486 20 5 CCBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000236591968 352200138 /nfs/dbraw/zinc/20/01/38/352200138.db2.gz SBCPVFGCNLIPOQ-PHIMTYICSA-N 1 2 272.688 0.786 20 5 CCBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000236591968 352200140 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CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001157933408 801529490 /nfs/dbraw/zinc/52/94/90/801529490.db2.gz VWGDEYHXVRRGTQ-UHFFFAOYSA-N 1 2 286.251 0.888 20 5 CCBDLO Nc1ncc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC001158862421 801717333 /nfs/dbraw/zinc/71/73/33/801717333.db2.gz XZTGGSXDRQFJFR-QMMMGPOBSA-N 1 2 288.267 0.123 20 5 CCBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001162855007 802430618 /nfs/dbraw/zinc/43/06/18/802430618.db2.gz XXSILUHFHGYCFH-QMMMGPOBSA-N 1 2 297.315 0.653 20 5 CCBDLO C[C@@H](O)[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001204833674 803103523 /nfs/dbraw/zinc/10/35/23/803103523.db2.gz AHDXGIHECVEHCU-CLZZGJSISA-N 1 2 283.219 0.560 20 5 CCBDLO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2nccnc21 ZINC001226990209 805304760 /nfs/dbraw/zinc/30/47/60/805304760.db2.gz SDPYIQCKMJEVND-QMMMGPOBSA-O 1 2 264.309 0.599 20 5 CCBDLO Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001031662167 817228541 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CCBDLO C[N@H+]1CCOC[C@H]1CNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001169653305 836407357 /nfs/dbraw/zinc/40/73/57/836407357.db2.gz GOTWCRPBJUOSIT-LLVKDONJSA-N 1 2 291.311 0.985 20 5 CCBDLO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncn[nH]1 ZINC001135515622 839270412 /nfs/dbraw/zinc/27/04/12/839270412.db2.gz DLLILNLEQHHQJF-UHFFFAOYSA-N 1 2 296.312 0.294 20 5 CCBDLO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC001135515622 839270418 /nfs/dbraw/zinc/27/04/18/839270418.db2.gz DLLILNLEQHHQJF-UHFFFAOYSA-N 1 2 296.312 0.294 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000687591444 849114752 /nfs/dbraw/zinc/11/47/52/849114752.db2.gz HPRCSCWQRZPDBI-LBPRGKRZSA-N 1 2 279.296 0.343 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000687591444 849114755 /nfs/dbraw/zinc/11/47/55/849114755.db2.gz HPRCSCWQRZPDBI-LBPRGKRZSA-N 1 2 279.296 0.343 20 5 CCBDLO CCc1nn(C)c(N2CC[N@H+](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000687594156 849120557 /nfs/dbraw/zinc/12/05/57/849120557.db2.gz RTRKNKLBJMXKAA-VIFPVBQESA-N 1 2 283.332 0.003 20 5 CCBDLO CCc1nn(C)c(N2CC[N@@H+](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000687594156 849120561 /nfs/dbraw/zinc/12/05/61/849120561.db2.gz RTRKNKLBJMXKAA-VIFPVBQESA-N 1 2 283.332 0.003 20 5 CCBDLO CC(C)(Cn1cc(C[NH+]2CCC(O)CC2)nn1)[N+](=O)[O-] ZINC001335184612 920001767 /nfs/dbraw/zinc/00/17/67/920001767.db2.gz KJJKPVBYJZJZLF-UHFFFAOYSA-N 1 2 283.332 0.290 20 5 CCBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC2(CC1)COCCO2 ZINC001353208916 925764258 /nfs/dbraw/zinc/76/42/58/925764258.db2.gz QBLLCKPYKBRFPM-UHFFFAOYSA-N 1 2 282.300 0.630 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000599640378 361768488 /nfs/dbraw/zinc/76/84/88/361768488.db2.gz CVLKWAIIDVRUNU-LLVKDONJSA-N 1 2 272.280 0.852 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000599640378 361768493 /nfs/dbraw/zinc/76/84/93/361768493.db2.gz CVLKWAIIDVRUNU-LLVKDONJSA-N 1 2 272.280 0.852 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000600422658 361958744 /nfs/dbraw/zinc/95/87/44/361958744.db2.gz WWNOTQSMJNKUHM-CYBMUJFWSA-N 1 2 293.323 0.584 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000600422658 361958746 /nfs/dbraw/zinc/95/87/46/361958746.db2.gz WWNOTQSMJNKUHM-CYBMUJFWSA-N 1 2 293.323 0.584 20 5 CCBDLO CC[C@H](Nc1[nH]c2cc([N+](=O)[O-])ccc2[nH+]1)C(=O)NC ZINC000450938289 529455293 /nfs/dbraw/zinc/45/52/93/529455293.db2.gz ISUYQXINPDEWSS-QMMMGPOBSA-N 1 2 277.284 0.830 20 5 CCBDLO O=[N+]([O-])c1ccccc1N[C@H](CO)C[NH+]1CCOCC1 ZINC000601177534 362167032 /nfs/dbraw/zinc/16/70/32/362167032.db2.gz WIQUIPDJDYGXAU-NSHDSACASA-N 1 2 281.312 0.700 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000602829359 362823731 /nfs/dbraw/zinc/82/37/31/362823731.db2.gz QKNIPXMUEIDXNT-VIFPVBQESA-N 1 2 291.315 0.768 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000602829359 362823732 /nfs/dbraw/zinc/82/37/32/362823732.db2.gz QKNIPXMUEIDXNT-VIFPVBQESA-N 1 2 291.315 0.768 20 5 CCBDLO CCOC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602916739 362885012 /nfs/dbraw/zinc/88/50/12/362885012.db2.gz VDHPEHBDXBMISV-GFCCVEGCSA-N 1 2 298.343 0.837 20 5 CCBDLO CCOC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602916739 362885017 /nfs/dbraw/zinc/88/50/17/362885017.db2.gz VDHPEHBDXBMISV-GFCCVEGCSA-N 1 2 298.343 0.837 20 5 CCBDLO O=C(COc1ccccc1[N+](=O)[O-])NCCn1cc[nH+]c1 ZINC000053680750 348533182 /nfs/dbraw/zinc/53/31/82/348533182.db2.gz BWQHLPNQUJOESP-UHFFFAOYSA-N 1 2 290.279 0.987 20 5 CCBDLO COCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000073134474 348944828 /nfs/dbraw/zinc/94/48/28/348944828.db2.gz AEMKQYDZDYIXFZ-UHFFFAOYSA-N 1 2 293.323 0.999 20 5 CCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncccc1[N+](=O)[O-] ZINC000081015254 349240551 /nfs/dbraw/zinc/24/05/51/349240551.db2.gz UZXPTLCEOBSPRZ-LLVKDONJSA-N 1 2 296.327 0.119 20 5 CCBDLO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000089531333 349392433 /nfs/dbraw/zinc/39/24/33/349392433.db2.gz FXVXFENCJYPEAG-LBPRGKRZSA-N 1 2 295.295 0.960 20 5 CCBDLO CC[N@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000089531333 349392436 /nfs/dbraw/zinc/39/24/36/349392436.db2.gz FXVXFENCJYPEAG-LBPRGKRZSA-N 1 2 295.295 0.960 20 5 CCBDLO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000413198703 233374299 /nfs/dbraw/zinc/37/42/99/233374299.db2.gz IJUSEHAISOQTHE-SNVBAGLBSA-N 1 2 281.291 0.541 20 5 CCBDLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153143104 350553692 /nfs/dbraw/zinc/55/36/92/350553692.db2.gz KIMWNEVLGGAPNW-QMMMGPOBSA-N 1 2 292.295 0.536 20 5 CCBDLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153143104 350553694 /nfs/dbraw/zinc/55/36/94/350553694.db2.gz KIMWNEVLGGAPNW-QMMMGPOBSA-N 1 2 292.295 0.536 20 5 CCBDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171078039 350883168 /nfs/dbraw/zinc/88/31/68/350883168.db2.gz DZFGYPGBSRUZKO-ZDUSSCGKSA-N 1 2 292.339 0.981 20 5 CCBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cs1 ZINC000186519550 351499474 /nfs/dbraw/zinc/49/94/74/351499474.db2.gz SPMHFMDZHXIGHY-IUCAKERBSA-N 1 2 258.299 0.584 20 5 CCBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cs1 ZINC000186519550 351499478 /nfs/dbraw/zinc/49/94/78/351499478.db2.gz SPMHFMDZHXIGHY-IUCAKERBSA-N 1 2 258.299 0.584 20 5 CCBDLO COCC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000234648016 352164649 /nfs/dbraw/zinc/16/46/49/352164649.db2.gz PKCXCCPCPYBAKE-UHFFFAOYSA-N 1 2 269.257 0.475 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC[NH2+]C1 ZINC000236583069 352198930 /nfs/dbraw/zinc/19/89/30/352198930.db2.gz BZLXESKOKUXTLE-ZETCQYMHSA-N 1 2 251.242 0.848 20 5 CCBDLO Cc1cc(N2CC3(C2)CC(=O)NCC[NH2+]3)ccc1[N+](=O)[O-] ZINC000603417383 363121764 /nfs/dbraw/zinc/12/17/64/363121764.db2.gz XWFITHZUGISEAB-UHFFFAOYSA-N 1 2 290.323 0.572 20 5 CCBDLO O=C1C[N@H+](CCCNc2ccccc2[N+](=O)[O-])CCN1 ZINC000269992884 352894196 /nfs/dbraw/zinc/89/41/96/352894196.db2.gz VMMIBORYMMQCRD-UHFFFAOYSA-N 1 2 278.312 0.829 20 5 CCBDLO O=C1C[N@@H+](CCCNc2ccccc2[N+](=O)[O-])CCN1 ZINC000269992884 352894200 /nfs/dbraw/zinc/89/42/00/352894200.db2.gz VMMIBORYMMQCRD-UHFFFAOYSA-N 1 2 278.312 0.829 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](CCO)CCO ZINC000153714754 188098483 /nfs/dbraw/zinc/09/84/83/188098483.db2.gz CIIOBPMNUKYVAX-UHFFFAOYSA-N 1 2 297.311 0.128 20 5 CCBDLO Cc1nc(NC[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000295589595 353905629 /nfs/dbraw/zinc/90/56/29/353905629.db2.gz SQDIFVDNVJBIEP-VIFPVBQESA-N 1 2 267.289 0.436 20 5 CCBDLO Cc1nc(NC[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000295589595 353905632 /nfs/dbraw/zinc/90/56/32/353905632.db2.gz SQDIFVDNVJBIEP-VIFPVBQESA-N 1 2 267.289 0.436 20 5 CCBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCOCC1 ZINC000298868145 353974683 /nfs/dbraw/zinc/97/46/83/353974683.db2.gz JOBMMPZYAAEPOP-UHFFFAOYSA-N 1 2 296.327 0.764 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(F)c1 ZINC000310921469 354193610 /nfs/dbraw/zinc/19/36/10/354193610.db2.gz HFYJCFOTYCTVKJ-PHIMTYICSA-N 1 2 256.233 0.271 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(F)c1 ZINC000310921469 354193616 /nfs/dbraw/zinc/19/36/16/354193616.db2.gz HFYJCFOTYCTVKJ-PHIMTYICSA-N 1 2 256.233 0.271 20 5 CCBDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331066044 354435692 /nfs/dbraw/zinc/43/56/92/354435692.db2.gz PVFVZPNTOSCVOJ-JTQLQIEISA-N 1 2 281.316 0.429 20 5 CCBDLO CC(=O)N[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331066044 354435694 /nfs/dbraw/zinc/43/56/94/354435694.db2.gz PVFVZPNTOSCVOJ-JTQLQIEISA-N 1 2 281.316 0.429 20 5 CCBDLO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000423992195 235133795 /nfs/dbraw/zinc/13/37/95/235133795.db2.gz NWPSIGQSSCDQIG-VIFPVBQESA-N 1 2 281.268 0.019 20 5 CCBDLO Cn1c[nH+]cc1CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000339166377 355498004 /nfs/dbraw/zinc/49/80/04/355498004.db2.gz IDGWZBHNZYHOSL-UHFFFAOYSA-N 1 2 292.299 0.274 20 5 CCBDLO COC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000353009498 356136738 /nfs/dbraw/zinc/13/67/38/356136738.db2.gz GRARDTMXXSKIDN-JTQLQIEISA-N 1 2 282.296 0.665 20 5 CCBDLO C[NH+](C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1O ZINC000560635748 291110362 /nfs/dbraw/zinc/11/03/62/291110362.db2.gz FUBRLEXBCSUHJR-JQWIXIFHSA-N 1 2 295.295 0.047 20 5 CCBDLO Cc1nc(N(C)CC[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000294776186 199176937 /nfs/dbraw/zinc/17/69/37/199176937.db2.gz AAKVWAUYBWJHPW-UHFFFAOYSA-N 1 2 281.316 0.462 20 5 CCBDLO COc1ccc(C[N@@H+]2CCOC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000294900841 199239681 /nfs/dbraw/zinc/23/96/81/199239681.db2.gz XFIBQZIRECWHHG-LLVKDONJSA-N 1 2 282.296 0.797 20 5 CCBDLO COc1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000294900841 199239683 /nfs/dbraw/zinc/23/96/83/199239683.db2.gz XFIBQZIRECWHHG-LLVKDONJSA-N 1 2 282.296 0.797 20 5 CCBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCO1 ZINC000610901072 363630079 /nfs/dbraw/zinc/63/00/79/363630079.db2.gz ZJJMCLJTWGGEDN-JOYOIKCWSA-N 1 2 294.311 0.439 20 5 CCBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000610901072 363630085 /nfs/dbraw/zinc/63/00/85/363630085.db2.gz ZJJMCLJTWGGEDN-JOYOIKCWSA-N 1 2 294.311 0.439 20 5 CCBDLO O=C1CC[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)N1 ZINC000593021082 360015970 /nfs/dbraw/zinc/01/59/70/360015970.db2.gz KURBANBICVHAGV-JTQLQIEISA-N 1 2 276.296 0.627 20 5 CCBDLO O=C1CC[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)N1 ZINC000593021082 360015973 /nfs/dbraw/zinc/01/59/73/360015973.db2.gz KURBANBICVHAGV-JTQLQIEISA-N 1 2 276.296 0.627 20 5 CCBDLO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OC ZINC000177024462 189021895 /nfs/dbraw/zinc/02/18/95/189021895.db2.gz NTNTVDWESKJKAV-UHFFFAOYSA-N 1 2 270.289 0.676 20 5 CCBDLO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OC ZINC000177024462 189021896 /nfs/dbraw/zinc/02/18/96/189021896.db2.gz NTNTVDWESKJKAV-UHFFFAOYSA-N 1 2 270.289 0.676 20 5 CCBDLO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(F)(F)F ZINC000594450954 360315654 /nfs/dbraw/zinc/31/56/54/360315654.db2.gz FLXGEAWRWZDOEF-MRVPVSSYSA-N 1 2 293.201 0.920 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000595404881 360522390 /nfs/dbraw/zinc/52/23/90/360522390.db2.gz VOQGYUPHSWLDNT-QWRGUYRKSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000595404881 360522391 /nfs/dbraw/zinc/52/23/91/360522391.db2.gz VOQGYUPHSWLDNT-QWRGUYRKSA-N 1 2 270.260 0.661 20 5 CCBDLO Cc1noc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC000595454833 360537706 /nfs/dbraw/zinc/53/77/06/360537706.db2.gz OOENSHMKACGFDH-RKDXNWHRSA-N 1 2 271.273 0.066 20 5 CCBDLO Cc1noc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1[N+](=O)[O-] ZINC000595454833 360537710 /nfs/dbraw/zinc/53/77/10/360537710.db2.gz OOENSHMKACGFDH-RKDXNWHRSA-N 1 2 271.273 0.066 20 5 CCBDLO Cc1noc(C[NH+]2CC(C)(C(N)=O)C2)c1[N+](=O)[O-] ZINC000595562011 360581688 /nfs/dbraw/zinc/58/16/88/360581688.db2.gz HYCHNYPFYULVMW-UHFFFAOYSA-N 1 2 254.246 0.198 20 5 CCBDLO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000449602947 296022760 /nfs/dbraw/zinc/02/27/60/296022760.db2.gz PTMBJCZGEYOUNT-RNFRBKRXSA-N 1 2 253.258 0.766 20 5 CCBDLO C[C@H]1C[N@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597997093 361304723 /nfs/dbraw/zinc/30/47/23/361304723.db2.gz LBKPUDYPUGIKRW-IUCAKERBSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@H]1C[N@@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597997093 361304730 /nfs/dbraw/zinc/30/47/30/361304730.db2.gz LBKPUDYPUGIKRW-IUCAKERBSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000598460615 361423415 /nfs/dbraw/zinc/42/34/15/361423415.db2.gz SZFXMIWLKCGBQY-MRVPVSSYSA-N 1 2 278.272 0.402 20 5 CCBDLO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598464686 361424976 /nfs/dbraw/zinc/42/49/76/361424976.db2.gz LKYMIIFPVBPXIM-SSDOTTSWSA-N 1 2 291.267 0.920 20 5 CCBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cn1 ZINC000598944206 361536168 /nfs/dbraw/zinc/53/61/68/361536168.db2.gz KGPDAKJWCZXZDQ-QMMMGPOBSA-N 1 2 273.252 0.541 20 5 CCBDLO Cn1c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000598951228 361540970 /nfs/dbraw/zinc/54/09/70/361540970.db2.gz YYINARUSQKOIEY-VIFPVBQESA-N 1 2 289.295 0.875 20 5 CCBDLO Cn1c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000598951227 361541416 /nfs/dbraw/zinc/54/14/16/361541416.db2.gz YYINARUSQKOIEY-SECBINFHSA-N 1 2 289.295 0.875 20 5 CCBDLO O=C(C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)N1CCCO1 ZINC000599089854 361571043 /nfs/dbraw/zinc/57/10/43/361571043.db2.gz PCSHRUMYOWUOCP-UHFFFAOYSA-N 1 2 291.267 0.469 20 5 CCBDLO Cc1n[nH]c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000330625337 203052491 /nfs/dbraw/zinc/05/24/91/203052491.db2.gz SZEFKIDKLWWHHD-QMMMGPOBSA-N 1 2 297.315 0.077 20 5 CCBDLO Cc1n[nH]c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000330625337 203052493 /nfs/dbraw/zinc/05/24/93/203052493.db2.gz SZEFKIDKLWWHHD-QMMMGPOBSA-N 1 2 297.315 0.077 20 5 CCBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(N)=O)CC1 ZINC000054978071 284524005 /nfs/dbraw/zinc/52/40/05/284524005.db2.gz ZCDDCKWGTTXEKD-LLVKDONJSA-N 1 2 292.339 0.759 20 5 CCBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(N)=O)CC1 ZINC000266536407 296240408 /nfs/dbraw/zinc/24/04/08/296240408.db2.gz OIXCFXIGOIJWQX-NSHDSACASA-N 1 2 292.339 0.759 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]CC1=O ZINC000237570727 389190922 /nfs/dbraw/zinc/19/09/22/389190922.db2.gz KUJGQNGGVBLGKX-UHFFFAOYSA-N 1 2 292.295 0.274 20 5 CCBDLO Cc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1[N+](=O)[O-] ZINC000237613086 389191912 /nfs/dbraw/zinc/19/19/12/389191912.db2.gz ITQDZBYPJMXTIU-UHFFFAOYSA-N 1 2 292.295 0.274 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000341000040 389178507 /nfs/dbraw/zinc/17/85/07/389178507.db2.gz QAPPCQRQBGPYQU-SNVBAGLBSA-N 1 2 293.327 0.525 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000341000040 389178509 /nfs/dbraw/zinc/17/85/09/389178509.db2.gz QAPPCQRQBGPYQU-SNVBAGLBSA-N 1 2 293.327 0.525 20 5 CCBDLO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262029292 389280827 /nfs/dbraw/zinc/28/08/27/389280827.db2.gz DWFNVIBIARVKLP-SECBINFHSA-N 1 2 265.269 0.864 20 5 CCBDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000152322044 389287619 /nfs/dbraw/zinc/28/76/19/389287619.db2.gz YDCIZAQQTNDORU-LLVKDONJSA-N 1 2 281.316 0.392 20 5 CCBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000152322044 389287621 /nfs/dbraw/zinc/28/76/21/389287621.db2.gz YDCIZAQQTNDORU-LLVKDONJSA-N 1 2 281.316 0.392 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000159697877 389371511 /nfs/dbraw/zinc/37/15/11/389371511.db2.gz FFKNHARTDGKKKG-PHIMTYICSA-N 1 2 281.312 0.866 20 5 CCBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000159697877 389371515 /nfs/dbraw/zinc/37/15/15/389371515.db2.gz FFKNHARTDGKKKG-PHIMTYICSA-N 1 2 281.312 0.866 20 5 CCBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCO)CC1 ZINC000270542158 389433072 /nfs/dbraw/zinc/43/30/72/389433072.db2.gz XUXNDEJQDCPWTN-UHFFFAOYSA-N 1 2 293.323 0.735 20 5 CCBDLO COCCO[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000444752745 389917269 /nfs/dbraw/zinc/91/72/69/389917269.db2.gz VSGDAQREGIWFDY-SNVBAGLBSA-N 1 2 284.316 0.566 20 5 CCBDLO COCCO[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000444752745 389917270 /nfs/dbraw/zinc/91/72/70/389917270.db2.gz VSGDAQREGIWFDY-SNVBAGLBSA-N 1 2 284.316 0.566 20 5 CCBDLO O=C(NCc1[nH]cc[nH+]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445183453 389922221 /nfs/dbraw/zinc/92/22/21/389922221.db2.gz JHCGENQVGWJQPP-UHFFFAOYSA-N 1 2 263.213 0.349 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445186647 389922340 /nfs/dbraw/zinc/92/23/40/389922340.db2.gz SCFDKKVLZFGXMX-UHFFFAOYSA-N 1 2 277.240 0.691 20 5 CCBDLO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436957002 389987531 /nfs/dbraw/zinc/98/75/31/389987531.db2.gz QUTLGNKJVFYLRS-UHFFFAOYSA-N 1 2 297.311 0.608 20 5 CCBDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000457101017 390029507 /nfs/dbraw/zinc/02/95/07/390029507.db2.gz XMHXYSWVGMFVLI-SECBINFHSA-N 1 2 299.352 0.795 20 5 CCBDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000457101017 390029508 /nfs/dbraw/zinc/02/95/08/390029508.db2.gz XMHXYSWVGMFVLI-SECBINFHSA-N 1 2 299.352 0.795 20 5 CCBDLO O=C1NC2(CO1)CC[NH+](Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000495136836 390218527 /nfs/dbraw/zinc/21/85/27/390218527.db2.gz DGRMECNLDSZECQ-UHFFFAOYSA-N 1 2 281.272 0.323 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1SC[C@@H]1C[N@H+](C)CCO1 ZINC000566734338 390642440 /nfs/dbraw/zinc/64/24/40/390642440.db2.gz BZYBWGONXSMFAJ-QMMMGPOBSA-N 1 2 272.330 0.751 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1SC[C@@H]1C[N@@H+](C)CCO1 ZINC000566734338 390642442 /nfs/dbraw/zinc/64/24/42/390642442.db2.gz BZYBWGONXSMFAJ-QMMMGPOBSA-N 1 2 272.330 0.751 20 5 CCBDLO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C)c[nH+]1 ZINC000534300184 390892217 /nfs/dbraw/zinc/89/22/17/390892217.db2.gz NGIVPUCEHSASAN-UHFFFAOYSA-N 1 2 275.268 0.864 20 5 CCBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000189719607 130014258 /nfs/dbraw/zinc/01/42/58/130014258.db2.gz FIRZIWCDTJAESU-VIFPVBQESA-N 1 2 299.352 0.795 20 5 CCBDLO Cn1c[nH+]cc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356776011 144031741 /nfs/dbraw/zinc/03/17/41/144031741.db2.gz NBTGLFXFMXJWOC-UHFFFAOYSA-N 1 2 276.252 0.964 20 5 CCBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371280036 144325277 /nfs/dbraw/zinc/32/52/77/144325277.db2.gz MVWCONUGVDFTJB-BRDIYROLSA-N 1 2 250.258 0.048 20 5 CCBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371280036 144325278 /nfs/dbraw/zinc/32/52/78/144325278.db2.gz MVWCONUGVDFTJB-BRDIYROLSA-N 1 2 250.258 0.048 20 5 CCBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000372530156 144371581 /nfs/dbraw/zinc/37/15/81/144371581.db2.gz YXKHDLAGPWCWPO-GHMZBOCLSA-N 1 2 278.312 0.543 20 5 CCBDLO C[NH+](C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1O ZINC000552157102 286156228 /nfs/dbraw/zinc/15/62/28/286156228.db2.gz DBOMZTAZTFSYBN-JQWIXIFHSA-N 1 2 295.295 0.047 20 5 CCBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1COC[C@H]1O ZINC000285433432 196283238 /nfs/dbraw/zinc/28/32/38/196283238.db2.gz FIVNEIHEJLBJFC-VXGBXAGGSA-N 1 2 270.260 0.925 20 5 CCBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1COC[C@H]1O ZINC000285433432 196283240 /nfs/dbraw/zinc/28/32/40/196283240.db2.gz FIVNEIHEJLBJFC-VXGBXAGGSA-N 1 2 270.260 0.925 20 5 CCBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285486447 196300385 /nfs/dbraw/zinc/30/03/85/196300385.db2.gz AFBLTTSCTZFJSQ-UHFFFAOYSA-N 1 2 278.272 0.677 20 5 CCBDLO C[C@@H]1C[NH2+]CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000125333814 274376098 /nfs/dbraw/zinc/37/60/98/274376098.db2.gz XDYOJMWNTUSLLU-MRVPVSSYSA-N 1 2 289.295 0.905 20 5 CCBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000426083343 279990895 /nfs/dbraw/zinc/99/08/95/279990895.db2.gz GJTIDOASCZKRIC-QMMMGPOBSA-N 1 2 275.268 0.864 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(CO)CCOCC1 ZINC000330420061 304804298 /nfs/dbraw/zinc/80/42/98/304804298.db2.gz GJIFLCZPQKVELR-UHFFFAOYSA-N 1 2 282.296 0.932 20 5 CCBDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000182482650 524085973 /nfs/dbraw/zinc/08/59/73/524085973.db2.gz QLGFXNLADVIIGM-LBPRGKRZSA-N 1 2 279.296 0.542 20 5 CCBDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000182482650 524085985 /nfs/dbraw/zinc/08/59/85/524085985.db2.gz QLGFXNLADVIIGM-LBPRGKRZSA-N 1 2 279.296 0.542 20 5 CCBDLO CCc1n[nH]c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000264097934 536004982 /nfs/dbraw/zinc/00/49/82/536004982.db2.gz BNLUKEYUAUSFHN-QMMMGPOBSA-N 1 2 292.299 0.895 20 5 CCBDLO CC(C)(C)[C@@H]1CNC(=O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000933824547 614027049 /nfs/dbraw/zinc/02/70/49/614027049.db2.gz MYGGVRHGJXNSKT-JTQLQIEISA-N 1 2 295.343 0.638 20 5 CCBDLO CC(C)(C)[C@@H]1CNC(=O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000933824547 614027050 /nfs/dbraw/zinc/02/70/50/614027050.db2.gz MYGGVRHGJXNSKT-JTQLQIEISA-N 1 2 295.343 0.638 20 5 CCBDLO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000886278739 616082773 /nfs/dbraw/zinc/08/27/73/616082773.db2.gz HXOKMUQXDOHUJZ-NSHDSACASA-N 1 2 267.285 0.837 20 5 CCBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000886278739 616082775 /nfs/dbraw/zinc/08/27/75/616082775.db2.gz HXOKMUQXDOHUJZ-NSHDSACASA-N 1 2 267.285 0.837 20 5 CCBDLO COC(=O)c1cc(C2CC[NH+](CC[N+](=O)[O-])CC2)no1 ZINC000931510839 616841190 /nfs/dbraw/zinc/84/11/90/616841190.db2.gz XBPZFQFCVOPTPR-UHFFFAOYSA-N 1 2 283.284 0.917 20 5 CCBDLO Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001022063970 624869949 /nfs/dbraw/zinc/86/99/49/624869949.db2.gz RKWICWVTZUVMDY-LMLFDSFASA-N 1 2 294.311 0.385 20 5 CCBDLO C[C@@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)n1cc[nH+]c1 ZINC000845485963 643321773 /nfs/dbraw/zinc/32/17/73/643321773.db2.gz ZOJNDPKQMZAXDZ-VIFPVBQESA-N 1 2 294.271 0.577 20 5 CCBDLO O=C1CCCN1C[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853595001 644125422 /nfs/dbraw/zinc/12/54/22/644125422.db2.gz LJXZUUSULZSNNP-NSHDSACASA-N 1 2 293.327 0.693 20 5 CCBDLO O=C1CCCN1C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853595001 644125426 /nfs/dbraw/zinc/12/54/26/644125426.db2.gz LJXZUUSULZSNNP-NSHDSACASA-N 1 2 293.327 0.693 20 5 CCBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000886166171 647911955 /nfs/dbraw/zinc/91/19/55/647911955.db2.gz ASANJKXRSZEUCK-WDEREUQCSA-N 1 2 267.285 0.165 20 5 CCBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000886166171 647911961 /nfs/dbraw/zinc/91/19/61/647911961.db2.gz ASANJKXRSZEUCK-WDEREUQCSA-N 1 2 267.285 0.165 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933967882 649151577 /nfs/dbraw/zinc/15/15/77/649151577.db2.gz SUKQXMGAZXSHKN-NWDGAFQWSA-N 1 2 282.300 0.281 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933967882 649151581 /nfs/dbraw/zinc/15/15/81/649151581.db2.gz SUKQXMGAZXSHKN-NWDGAFQWSA-N 1 2 282.300 0.281 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001150609501 800351485 /nfs/dbraw/zinc/35/14/85/800351485.db2.gz YZEMGQRHOWBEMN-VIFPVBQESA-N 1 2 291.267 0.698 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001161950343 802257214 /nfs/dbraw/zinc/25/72/14/802257214.db2.gz NBBJAHUGOJMRDA-SSDOTTSWSA-N 1 2 293.283 0.773 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2cnc([N+](=O)[O-])c(OC)c2)C[NH2+]1 ZINC001164308500 802716718 /nfs/dbraw/zinc/71/67/18/802716718.db2.gz MVAPDBYJYVAAIJ-CBAPKCEASA-N 1 2 296.283 0.314 20 5 CCBDLO C[N@@H+]1CCO[C@H](COc2ncncc2[N+](=O)[O-])C1 ZINC001228653746 805464147 /nfs/dbraw/zinc/46/41/47/805464147.db2.gz BBHNVUWXSUVUNJ-QMMMGPOBSA-N 1 2 254.246 0.094 20 5 CCBDLO C[N@H+]1CCO[C@H](COc2ncncc2[N+](=O)[O-])C1 ZINC001228653746 805464153 /nfs/dbraw/zinc/46/41/53/805464153.db2.gz BBHNVUWXSUVUNJ-QMMMGPOBSA-N 1 2 254.246 0.094 20 5 CCBDLO Cc1noc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001261640059 809040319 /nfs/dbraw/zinc/04/03/19/809040319.db2.gz VTPRHJBIMVCHCD-DTWKUNHWSA-N 1 2 271.273 0.066 20 5 CCBDLO Cc1noc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001261640059 809040327 /nfs/dbraw/zinc/04/03/27/809040327.db2.gz VTPRHJBIMVCHCD-DTWKUNHWSA-N 1 2 271.273 0.066 20 5 CCBDLO O=C(NCC[NH2+]Cc1ncc(C2CC2)o1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932454 815309819 /nfs/dbraw/zinc/30/98/19/815309819.db2.gz YRJSWLXZYSEVJN-NXEZZACHSA-N 1 2 294.311 0.423 20 5 CCBDLO CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237267 812400366 /nfs/dbraw/zinc/40/03/66/812400366.db2.gz FVSHMQRBHCRCAM-GHMZBOCLSA-N 1 2 298.368 0.699 20 5 CCBDLO CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237267 812400370 /nfs/dbraw/zinc/40/03/70/812400370.db2.gz FVSHMQRBHCRCAM-GHMZBOCLSA-N 1 2 298.368 0.699 20 5 CCBDLO C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](CO)C1 ZINC000699472535 816740452 /nfs/dbraw/zinc/74/04/52/816740452.db2.gz BMGSEJORUKHCRH-VIFPVBQESA-N 1 2 287.266 0.986 20 5 CCBDLO C[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](CO)C1 ZINC000699472535 816740457 /nfs/dbraw/zinc/74/04/57/816740457.db2.gz BMGSEJORUKHCRH-VIFPVBQESA-N 1 2 287.266 0.986 20 5 CCBDLO CN(C)C(=O)c1nc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168968137 836087850 /nfs/dbraw/zinc/08/78/50/836087850.db2.gz WOEJJRQYNFZTFP-BDAKNGLRSA-N 1 2 297.315 0.306 20 5 CCBDLO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH2+]CC(F)(F)C2)C1 ZINC001169013015 836099934 /nfs/dbraw/zinc/09/99/34/836099934.db2.gz SYNFSKCRYCAPIV-VHSXEESVSA-N 1 2 263.288 0.972 20 5 CCBDLO Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001135203417 839178842 /nfs/dbraw/zinc/17/88/42/839178842.db2.gz QMYQRPLSYACAMN-GHMZBOCLSA-N 1 2 278.312 0.791 20 5 CCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccccc2)C1 ZINC001042705654 850741473 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Cc1n[nH]c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC001320775720 910859796 /nfs/dbraw/zinc/85/97/96/910859796.db2.gz QDCHVJNNDFZWIG-MRVPVSSYSA-N 1 2 290.283 0.568 20 5 CCBDLO CC[C@@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549624 349438919 /nfs/dbraw/zinc/43/89/19/349438919.db2.gz GVSYDXAAWVZZLD-LLVKDONJSA-N 1 2 281.312 0.867 20 5 CCBDLO CC[C@@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549624 349438924 /nfs/dbraw/zinc/43/89/24/349438924.db2.gz GVSYDXAAWVZZLD-LLVKDONJSA-N 1 2 281.312 0.867 20 5 CCBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092576 349526047 /nfs/dbraw/zinc/52/60/47/349526047.db2.gz FYFCJOOIAREZAF-PHIMTYICSA-N 1 2 272.688 0.786 20 5 CCBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092576 349526050 /nfs/dbraw/zinc/52/60/50/349526050.db2.gz FYFCJOOIAREZAF-PHIMTYICSA-N 1 2 272.688 0.786 20 5 CCBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093634033 349548002 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CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000116889527 349876186 /nfs/dbraw/zinc/87/61/86/349876186.db2.gz AFSLTIPGHPZOIP-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000116889527 349876192 /nfs/dbraw/zinc/87/61/92/349876192.db2.gz AFSLTIPGHPZOIP-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO Cn1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c([N+](=O)[O-])n1 ZINC000602723400 362771950 /nfs/dbraw/zinc/77/19/50/362771950.db2.gz GEDPQIZWUDDANH-NLQQUQSOSA-N 1 2 298.368 0.814 20 5 CCBDLO Cn1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c([N+](=O)[O-])n1 ZINC000602723400 362771956 /nfs/dbraw/zinc/77/19/56/362771956.db2.gz GEDPQIZWUDDANH-NLQQUQSOSA-N 1 2 298.368 0.814 20 5 CCBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800550 362808308 /nfs/dbraw/zinc/80/83/08/362808308.db2.gz AKRZGZKLKBKYMO-CVJBHZAOSA-N 1 2 274.346 0.527 20 5 CCBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800550 362808312 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O=C1OCC[C@@]12CCC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000186675562 351507478 /nfs/dbraw/zinc/50/74/78/351507478.db2.gz CMEAWXDNNLHDCA-LBPRGKRZSA-N 1 2 280.284 0.573 20 5 CCBDLO O=C1OCC[C@@]12CCC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000186675562 351507480 /nfs/dbraw/zinc/50/74/80/351507480.db2.gz CMEAWXDNNLHDCA-LBPRGKRZSA-N 1 2 280.284 0.573 20 5 CCBDLO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187622100 351549799 /nfs/dbraw/zinc/54/97/99/351549799.db2.gz DBWGXWJTTQQIAV-UHFFFAOYSA-N 1 2 267.285 0.934 20 5 CCBDLO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000192859167 351800968 /nfs/dbraw/zinc/80/09/68/351800968.db2.gz YVVFVGREZWHMSI-VIFPVBQESA-N 1 2 256.262 0.333 20 5 CCBDLO [NH3+]C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000236193868 352192434 /nfs/dbraw/zinc/19/24/34/352192434.db2.gz VRSQJCIFDAQVIL-UHFFFAOYSA-N 1 2 281.268 0.747 20 5 CCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC=C(F)C2)c1 ZINC000271659363 191264624 /nfs/dbraw/zinc/26/46/24/191264624.db2.gz 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0.641 20 5 CCBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+]([C@H]1COC[C@H]1O)C2 ZINC000573149069 358943298 /nfs/dbraw/zinc/94/32/98/358943298.db2.gz LCTJVDZQONXGEE-QWHCGFSZSA-N 1 2 264.281 0.713 20 5 CCBDLO O=[N+]([O-])c1cccc2c1CC[N@H+]([C@H]1COC[C@H]1O)C2 ZINC000573149069 358943301 /nfs/dbraw/zinc/94/33/01/358943301.db2.gz LCTJVDZQONXGEE-QWHCGFSZSA-N 1 2 264.281 0.713 20 5 CCBDLO O=[N+]([O-])c1cnc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(Cl)c1 ZINC000593508638 360102098 /nfs/dbraw/zinc/10/20/98/360102098.db2.gz UABCMXZWLZJJNW-SNVBAGLBSA-N 1 2 298.730 0.898 20 5 CCBDLO O=[N+]([O-])c1cnc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(Cl)c1 ZINC000593508638 360102099 /nfs/dbraw/zinc/10/20/99/360102099.db2.gz UABCMXZWLZJJNW-SNVBAGLBSA-N 1 2 298.730 0.898 20 5 CCBDLO NC(=O)[C@@]1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000594037988 360239660 /nfs/dbraw/zinc/23/96/60/360239660.db2.gz YVYMRVKHCOBXAL-GFCCVEGCSA-N 1 2 299.714 0.982 20 5 CCBDLO Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000595454493 360537526 /nfs/dbraw/zinc/53/75/26/360537526.db2.gz IDWQMFNRMRBIJS-HOTUBEGUSA-N 1 2 294.311 0.977 20 5 CCBDLO Cc1noc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000595454493 360537527 /nfs/dbraw/zinc/53/75/27/360537527.db2.gz IDWQMFNRMRBIJS-HOTUBEGUSA-N 1 2 294.311 0.977 20 5 CCBDLO Cn1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)nn1 ZINC000595757831 360642955 /nfs/dbraw/zinc/64/29/55/360642955.db2.gz IEUPIPCKGLUHCM-UHFFFAOYSA-N 1 2 292.299 0.017 20 5 CCBDLO Cn1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)nn1 ZINC000595757831 360642962 /nfs/dbraw/zinc/64/29/62/360642962.db2.gz IEUPIPCKGLUHCM-UHFFFAOYSA-N 1 2 292.299 0.017 20 5 CCBDLO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@H]1F ZINC000595948570 360726381 /nfs/dbraw/zinc/72/63/81/360726381.db2.gz SDJVVBNWYQYRHQ-RKDXNWHRSA-N 1 2 283.259 0.812 20 5 CCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1csc([N+](=O)[O-])c1 ZINC000178606961 189130890 /nfs/dbraw/zinc/13/08/90/189130890.db2.gz GFDSNRIWVUNZKK-JTQLQIEISA-N 1 2 296.352 0.386 20 5 CCBDLO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000596103240 360795348 /nfs/dbraw/zinc/79/53/48/360795348.db2.gz BACKWFYSIJEYQV-SNVBAGLBSA-N 1 2 295.343 0.743 20 5 CCBDLO C[C@@H]1C[N@H+](CCNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597996890 361304622 /nfs/dbraw/zinc/30/46/22/361304622.db2.gz QXFIUCUPFPDHPP-RKDXNWHRSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597996890 361304629 /nfs/dbraw/zinc/30/46/29/361304629.db2.gz QXFIUCUPFPDHPP-RKDXNWHRSA-N 1 2 297.315 0.157 20 5 CCBDLO Cc1cn2c([nH+]1)CN(c1c([N+](=O)[O-])ncn1C)CC2 ZINC000611764372 363779268 /nfs/dbraw/zinc/77/92/68/363779268.db2.gz LJIUBGSPSGHPKT-UHFFFAOYSA-N 1 2 262.273 0.853 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000599159507 361591872 /nfs/dbraw/zinc/59/18/72/361591872.db2.gz CIWPOFZXNLDAHL-JTQLQIEISA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000599159507 361591877 /nfs/dbraw/zinc/59/18/77/361591877.db2.gz CIWPOFZXNLDAHL-JTQLQIEISA-N 1 2 252.274 0.732 20 5 CCBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000357960151 284117906 /nfs/dbraw/zinc/11/79/06/284117906.db2.gz PPDHAPYBNZZOEM-SSDOTTSWSA-N 1 2 275.268 0.933 20 5 CCBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000357960151 284117909 /nfs/dbraw/zinc/11/79/09/284117909.db2.gz PPDHAPYBNZZOEM-SSDOTTSWSA-N 1 2 275.268 0.933 20 5 CCBDLO O=C1NCC[C@@H]1[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178282523 296376050 /nfs/dbraw/zinc/37/60/50/296376050.db2.gz MDKUILUUPKGUGZ-ZDUSSCGKSA-N 1 2 290.323 0.605 20 5 CCBDLO CCNC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000029529205 388826987 /nfs/dbraw/zinc/82/69/87/388826987.db2.gz BCUDMBWBTOLBCP-UHFFFAOYSA-N 1 2 292.339 0.853 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCO ZINC000355442361 389078933 /nfs/dbraw/zinc/07/89/33/389078933.db2.gz KBVNTMRYNKSWBS-UHFFFAOYSA-N 1 2 267.285 0.766 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCO ZINC000355442361 389078934 /nfs/dbraw/zinc/07/89/34/389078934.db2.gz KBVNTMRYNKSWBS-UHFFFAOYSA-N 1 2 267.285 0.766 20 5 CCBDLO C[NH+](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000136440163 389267175 /nfs/dbraw/zinc/26/71/75/389267175.db2.gz JLZTXTJNWWXFAV-UHFFFAOYSA-N 1 2 291.304 0.574 20 5 CCBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000264196446 389311614 /nfs/dbraw/zinc/31/16/14/389311614.db2.gz CYVWHHZFBCCFQU-ZJUUUORDSA-N 1 2 296.327 0.762 20 5 CCBDLO C[C@H]([C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCOCC1 ZINC000264228635 389314088 /nfs/dbraw/zinc/31/40/88/389314088.db2.gz IAWQNSQHVSCOOH-DTWKUNHWSA-N 1 2 296.331 0.488 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159715670 389371367 /nfs/dbraw/zinc/37/13/67/389371367.db2.gz VNURICXFCMNUKC-MNOVXSKESA-N 1 2 281.312 0.866 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159715670 389371370 /nfs/dbraw/zinc/37/13/70/389371370.db2.gz VNURICXFCMNUKC-MNOVXSKESA-N 1 2 281.312 0.866 20 5 CCBDLO O=[N+]([O-])c1cnc(NCc2ccnc(-n3cc[nH+]c3)c2)nc1 ZINC000373391783 389479522 /nfs/dbraw/zinc/47/95/22/389479522.db2.gz JTXLLDYOSLPGAQ-UHFFFAOYSA-N 1 2 297.278 1.000 20 5 CCBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@@](=O)C1 ZINC000277306951 389555486 /nfs/dbraw/zinc/55/54/86/389555486.db2.gz CRNIEXAUAUSSOJ-APBUJDDRSA-N 1 2 286.357 0.492 20 5 CCBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@@](=O)C1 ZINC000277306951 389555491 /nfs/dbraw/zinc/55/54/91/389555491.db2.gz CRNIEXAUAUSSOJ-APBUJDDRSA-N 1 2 286.357 0.492 20 5 CCBDLO O=C(NCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000479445931 390081749 /nfs/dbraw/zinc/08/17/49/390081749.db2.gz MIMGVBQOKQDEKX-UHFFFAOYSA-N 1 2 276.256 0.555 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000342127321 130284905 /nfs/dbraw/zinc/28/49/05/130284905.db2.gz KMEWEIURASFOEX-PWSUYJOCSA-N 1 2 295.343 0.233 20 5 CCBDLO O=C(NCc1c[nH+]c[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352487916 397464811 /nfs/dbraw/zinc/46/48/11/397464811.db2.gz KBAWULOWPGXCGQ-UHFFFAOYSA-N 1 2 290.235 0.977 20 5 CCBDLO O=C(NCc1c[nH]c[nH+]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352487916 397464816 /nfs/dbraw/zinc/46/48/16/397464816.db2.gz KBAWULOWPGXCGQ-UHFFFAOYSA-N 1 2 290.235 0.977 20 5 CCBDLO Cc1c[nH+]ccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357910281 144132267 /nfs/dbraw/zinc/13/22/67/144132267.db2.gz MSWWJWHSHBJRHA-UHFFFAOYSA-N 1 2 261.241 0.706 20 5 CCBDLO O=C(NCc1[nH]cc[nH+]1)Nc1ccncc1[N+](=O)[O-] ZINC000359020918 144190719 /nfs/dbraw/zinc/19/07/19/144190719.db2.gz RWXNUCYKNIGQTJ-UHFFFAOYSA-N 1 2 262.229 0.457 20 5 CCBDLO O=[N+]([O-])c1ccnn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000370332907 144298291 /nfs/dbraw/zinc/29/82/91/144298291.db2.gz IZPRHCNHMOTXGM-AOOOYVTPSA-N 1 2 252.274 0.655 20 5 CCBDLO O=[N+]([O-])c1ccnn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000370332907 144298292 /nfs/dbraw/zinc/29/82/92/144298292.db2.gz IZPRHCNHMOTXGM-AOOOYVTPSA-N 1 2 252.274 0.655 20 5 CCBDLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330466926 287619311 /nfs/dbraw/zinc/61/93/11/287619311.db2.gz XFKWCUXWCRUMPJ-PELKAZGASA-N 1 2 279.296 0.915 20 5 CCBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(N)=O)CC1 ZINC000266536401 290267075 /nfs/dbraw/zinc/26/70/75/290267075.db2.gz OIXCFXIGOIJWQX-LLVKDONJSA-N 1 2 292.339 0.759 20 5 CCBDLO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000582302430 328955149 /nfs/dbraw/zinc/95/51/49/328955149.db2.gz UUEGYABLHDLIPJ-QMMMGPOBSA-N 1 2 297.267 0.519 20 5 CCBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000581151271 336016213 /nfs/dbraw/zinc/01/62/13/336016213.db2.gz JRZUESCQXSPGNG-VIFPVBQESA-N 1 2 290.283 0.933 20 5 CCBDLO C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+](C)C ZINC000448676394 534044389 /nfs/dbraw/zinc/04/43/89/534044389.db2.gz HPAHDMBDRJRJAX-QMMMGPOBSA-N 1 2 267.285 0.980 20 5 CCBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CSC[NH2+]1 ZINC000423718963 534766798 /nfs/dbraw/zinc/76/67/98/534766798.db2.gz DPMFSGAFZFWXGX-VIFPVBQESA-N 1 2 293.308 0.494 20 5 CCBDLO CC(C)(C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000308665850 527090516 /nfs/dbraw/zinc/09/05/16/527090516.db2.gz WDNWUYWNRZNIFQ-UHFFFAOYSA-N 1 2 281.316 0.908 20 5 CCBDLO CC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC ZINC000191734629 535387293 /nfs/dbraw/zinc/38/72/93/535387293.db2.gz WIVRTEQDFHUHAB-UHFFFAOYSA-N 1 2 267.285 0.911 20 5 CCBDLO CC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC ZINC000191734629 535387294 /nfs/dbraw/zinc/38/72/94/535387294.db2.gz WIVRTEQDFHUHAB-UHFFFAOYSA-N 1 2 267.285 0.911 20 5 CCBDLO O=[N+]([O-])CCN1CC[NH+](Cc2ccncc2)CC1 ZINC000791053776 581206424 /nfs/dbraw/zinc/20/64/24/581206424.db2.gz GNUFQPSVYDQECR-UHFFFAOYSA-N 1 2 250.302 0.476 20 5 CCBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791054080 581206459 /nfs/dbraw/zinc/20/64/59/581206459.db2.gz XASIFZZGUKRHLV-NSHDSACASA-N 1 2 267.285 0.637 20 5 CCBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791054080 581206462 /nfs/dbraw/zinc/20/64/62/581206462.db2.gz XASIFZZGUKRHLV-NSHDSACASA-N 1 2 267.285 0.637 20 5 CCBDLO Cc1cn2c([nH+]1)CN(Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000782281559 581295484 /nfs/dbraw/zinc/29/54/84/581295484.db2.gz VJSBCMDHUGVEEG-UHFFFAOYSA-N 1 2 262.273 0.770 20 5 CCBDLO COCC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@H]1CCOC1 ZINC000782962287 581328757 /nfs/dbraw/zinc/32/87/57/581328757.db2.gz NKBJEPRDMZXVSP-NSHDSACASA-N 1 2 284.316 0.795 20 5 CCBDLO COCC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@H]1CCOC1 ZINC000782962287 581328759 /nfs/dbraw/zinc/32/87/59/581328759.db2.gz NKBJEPRDMZXVSP-NSHDSACASA-N 1 2 284.316 0.795 20 5 CCBDLO COCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000782965246 581329487 /nfs/dbraw/zinc/32/94/87/581329487.db2.gz WJFPXUWBWDIQPI-SNVBAGLBSA-N 1 2 270.289 0.486 20 5 CCBDLO COCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000782965246 581329490 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O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(F)c1 ZINC000565327871 390504368 /nfs/dbraw/zinc/50/43/68/390504368.db2.gz OQJMLSJEBMOUBY-ZWNOBZJWSA-N 1 2 284.287 0.909 20 5 CCBDLO C[C@@H]1C[NH+](CCn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000522015179 390623054 /nfs/dbraw/zinc/62/30/54/390623054.db2.gz SXSCRLCLRLLQPF-RKDXNWHRSA-N 1 2 255.278 0.296 20 5 CCBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263866220 131349732 /nfs/dbraw/zinc/34/97/32/131349732.db2.gz KVENFUIZOMJAOL-UHFFFAOYSA-N 1 2 282.300 0.327 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000368513680 144229605 /nfs/dbraw/zinc/22/96/05/144229605.db2.gz HBJKFIKSXIFLTM-OLZOCXBDSA-N 1 2 296.327 0.671 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000368513680 144229606 /nfs/dbraw/zinc/22/96/06/144229606.db2.gz HBJKFIKSXIFLTM-OLZOCXBDSA-N 1 2 296.327 0.671 20 5 CCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549159843 286088427 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COC(=O)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000787242633 581462699 /nfs/dbraw/zinc/46/26/99/581462699.db2.gz JFXKTLBAAPLIKK-WPRPVWTQSA-N 1 2 268.273 0.632 20 5 CCBDLO COC(=O)[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000787242633 581462702 /nfs/dbraw/zinc/46/27/02/581462702.db2.gz JFXKTLBAAPLIKK-WPRPVWTQSA-N 1 2 268.273 0.632 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000756841732 581680775 /nfs/dbraw/zinc/68/07/75/581680775.db2.gz IAYZCKMVKOPFGS-VIFPVBQESA-N 1 2 281.316 0.587 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000756841732 581680777 /nfs/dbraw/zinc/68/07/77/581680777.db2.gz IAYZCKMVKOPFGS-VIFPVBQESA-N 1 2 281.316 0.587 20 5 CCBDLO NC(=O)c1cc([N+](=O)[O-])cnc1-n1c[nH+]c(CCCO)c1 ZINC000731902219 581789115 /nfs/dbraw/zinc/78/91/15/581789115.db2.gz BNIAPLPKOJVHQC-UHFFFAOYSA-N 1 2 291.267 0.199 20 5 CCBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759541725 581805018 /nfs/dbraw/zinc/80/50/18/581805018.db2.gz SAHJIQGWBMSAHH-CYBMUJFWSA-N 1 2 289.295 0.805 20 5 CCBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759541725 581805019 /nfs/dbraw/zinc/80/50/19/581805019.db2.gz SAHJIQGWBMSAHH-CYBMUJFWSA-N 1 2 289.295 0.805 20 5 CCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCCn2ccc([N+](=O)[O-])n2)C1 ZINC000805477500 615185865 /nfs/dbraw/zinc/18/58/65/615185865.db2.gz KPNIILPWUDHFHL-JTQLQIEISA-N 1 2 298.299 0.055 20 5 CCBDLO CC[N@H+]1CCO[C@H](C(=O)OCCn2ccc([N+](=O)[O-])n2)C1 ZINC000805477500 615185866 /nfs/dbraw/zinc/18/58/66/615185866.db2.gz KPNIILPWUDHFHL-JTQLQIEISA-N 1 2 298.299 0.055 20 5 CCBDLO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000929766000 615907523 /nfs/dbraw/zinc/90/75/23/615907523.db2.gz HBEQSTFFYTYYEG-NWDGAFQWSA-N 1 2 257.334 0.984 20 5 CCBDLO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000929766000 615907526 /nfs/dbraw/zinc/90/75/26/615907526.db2.gz HBEQSTFFYTYYEG-NWDGAFQWSA-N 1 2 257.334 0.984 20 5 CCBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839746031 616089040 /nfs/dbraw/zinc/08/90/40/616089040.db2.gz FTRYWHSNWISDCL-GHMZBOCLSA-N 1 2 285.344 0.221 20 5 CCBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839746031 616089042 /nfs/dbraw/zinc/08/90/42/616089042.db2.gz FTRYWHSNWISDCL-GHMZBOCLSA-N 1 2 285.344 0.221 20 5 CCBDLO CON1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846980367 617091767 /nfs/dbraw/zinc/09/17/67/617091767.db2.gz VEAISSAIICXVMQ-ZDUSSCGKSA-N 1 2 281.312 0.807 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934567762 622755795 /nfs/dbraw/zinc/75/57/95/622755795.db2.gz RVHLKIBSGZNIKV-NXEZZACHSA-N 1 2 272.280 0.504 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934567762 622755802 /nfs/dbraw/zinc/75/58/02/622755802.db2.gz RVHLKIBSGZNIKV-NXEZZACHSA-N 1 2 272.280 0.504 20 5 CCBDLO CCCNC(=O)[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000050899842 623104331 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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874890580 646493557 /nfs/dbraw/zinc/49/35/57/646493557.db2.gz UVFQCSZUFNSRIR-JHJVBQTASA-N 1 2 293.298 0.964 20 5 CCBDLO Cn1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])n1 ZINC000877564399 646824005 /nfs/dbraw/zinc/82/40/05/646824005.db2.gz ZUFLHZSWBNFCPI-JTQLQIEISA-N 1 2 276.243 0.530 20 5 CCBDLO Cn1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])n1 ZINC000877564399 646824006 /nfs/dbraw/zinc/82/40/06/646824006.db2.gz ZUFLHZSWBNFCPI-JTQLQIEISA-N 1 2 276.243 0.530 20 5 CCBDLO Cn1cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])n1 ZINC000877619570 646829758 /nfs/dbraw/zinc/82/97/58/646829758.db2.gz DJYMZEWQRCKXCQ-UHFFFAOYSA-N 1 2 291.311 0.698 20 5 CCBDLO Cn1cc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])n1 ZINC000877619570 646829761 /nfs/dbraw/zinc/82/97/61/646829761.db2.gz DJYMZEWQRCKXCQ-UHFFFAOYSA-N 1 2 291.311 0.698 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608415 647080831 /nfs/dbraw/zinc/08/08/31/647080831.db2.gz BHROZNDVPWEEGL-NEPJUHHUSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608415 647080833 /nfs/dbraw/zinc/08/08/33/647080833.db2.gz BHROZNDVPWEEGL-NEPJUHHUSA-N 1 2 270.260 0.661 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC(O)(C(C)C)C1 ZINC000089677507 649661554 /nfs/dbraw/zinc/66/15/54/649661554.db2.gz CPWSMPSCXGBOPB-UHFFFAOYSA-N 1 2 268.317 0.802 20 5 CCBDLO CC[NH+]1CC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230225815 805586517 /nfs/dbraw/zinc/58/65/17/805586517.db2.gz ZNSLYMYDAZSPSB-UHFFFAOYSA-N 1 2 263.257 0.949 20 5 CCBDLO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001266273467 790376973 /nfs/dbraw/zinc/37/69/73/790376973.db2.gz SERLELVYUCERRW-VXGBXAGGSA-N 1 2 278.312 0.295 20 5 CCBDLO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001266273467 790376976 /nfs/dbraw/zinc/37/69/76/790376976.db2.gz SERLELVYUCERRW-VXGBXAGGSA-N 1 2 278.312 0.295 20 5 CCBDLO NC(=O)c1ccnc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001167617742 791634699 /nfs/dbraw/zinc/63/46/99/791634699.db2.gz YJDGTSVDPAXDBX-UHFFFAOYSA-N 1 2 288.267 0.678 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+]1CCOCC1(C)C ZINC000892321094 791675516 /nfs/dbraw/zinc/67/55/16/791675516.db2.gz MOISJMWBUZGWAG-UHFFFAOYSA-N 1 2 283.332 0.851 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1NCC[N@H+]1CCOCC1(C)C ZINC000892321094 791675520 /nfs/dbraw/zinc/67/55/20/791675520.db2.gz MOISJMWBUZGWAG-UHFFFAOYSA-N 1 2 283.332 0.851 20 5 CCBDLO CC(C)[NH+]1CC(Nc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001157526031 801405488 /nfs/dbraw/zinc/40/54/88/801405488.db2.gz NBASULWDBLHCSR-UHFFFAOYSA-N 1 2 252.274 0.733 20 5 CCBDLO Cc1ncc([N+](=O)[O-])c(NCC2([NH+]3CCCC3)COC2)n1 ZINC001157655185 801447351 /nfs/dbraw/zinc/44/73/51/801447351.db2.gz LGDCEAHPRYTZBG-UHFFFAOYSA-N 1 2 293.327 0.970 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1F ZINC001161950567 802257091 /nfs/dbraw/zinc/25/70/91/802257091.db2.gz QJGCMPHTBLWCOX-MRVPVSSYSA-N 1 2 272.236 0.431 20 5 CCBDLO Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662835 817227889 /nfs/dbraw/zinc/22/78/89/817227889.db2.gz NHUODNPHUBKZPH-GHMZBOCLSA-N 1 2 294.311 0.196 20 5 CCBDLO CNc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001169129141 836143528 /nfs/dbraw/zinc/14/35/28/836143528.db2.gz FPWMVWLAFAJWIP-XCBNKYQSSA-N 1 2 295.299 0.347 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(OC)c([N+](=O)[O-])n2)C[NH2+]1 ZINC001169129364 836144008 /nfs/dbraw/zinc/14/40/08/836144008.db2.gz MNUAPBVHIVBKCY-SFYZADRCSA-N 1 2 296.283 0.314 20 5 CCBDLO Nc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ncc1[N+](=O)[O-] ZINC001157582219 837157469 /nfs/dbraw/zinc/15/74/69/837157469.db2.gz AAHRYKUXFNUXQB-SECBINFHSA-N 1 2 293.327 0.847 20 5 CCBDLO Nc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ncc1[N+](=O)[O-] ZINC001157582219 837157475 /nfs/dbraw/zinc/15/74/75/837157475.db2.gz AAHRYKUXFNUXQB-SECBINFHSA-N 1 2 293.327 0.847 20 5 CCBDLO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001176028380 842303934 /nfs/dbraw/zinc/30/39/34/842303934.db2.gz MHAWZVIVMRBOIC-MRVPVSSYSA-N 1 2 277.284 0.867 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1[nH]c[nH+]c1C ZINC001116191410 855727692 /nfs/dbraw/zinc/72/76/92/855727692.db2.gz WVERBLCVYXICKP-UHFFFAOYSA-N 1 2 278.272 0.448 20 5 CCBDLO COC[C@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320490756 910703341 /nfs/dbraw/zinc/70/33/41/910703341.db2.gz KGMIDHZQXAFBAW-GFCCVEGCSA-N 1 2 252.270 0.918 20 5 CCBDLO COC[C@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320490756 910703353 /nfs/dbraw/zinc/70/33/53/910703353.db2.gz KGMIDHZQXAFBAW-GFCCVEGCSA-N 1 2 252.270 0.918 20 5 CCBDLO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCOCC2)c(F)c1 ZINC000601177210 362167075 /nfs/dbraw/zinc/16/70/75/362167075.db2.gz QSHQXQDFZHWALI-SNVBAGLBSA-N 1 2 299.302 0.839 20 5 CCBDLO CC(C)(CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000273177122 192066881 /nfs/dbraw/zinc/06/68/81/192066881.db2.gz NNVCVCGFBYUVGY-UHFFFAOYSA-N 1 2 281.316 0.908 20 5 CCBDLO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000118494457 349903659 /nfs/dbraw/zinc/90/36/59/349903659.db2.gz BIPKWLRTVBAPLW-VIFPVBQESA-N 1 2 279.296 0.982 20 5 CCBDLO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000118494457 349903661 /nfs/dbraw/zinc/90/36/61/349903661.db2.gz BIPKWLRTVBAPLW-VIFPVBQESA-N 1 2 279.296 0.982 20 5 CCBDLO Cn1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])n1 ZINC000602696235 362755376 /nfs/dbraw/zinc/75/53/76/362755376.db2.gz WWWJPCBHLRJELF-LLVKDONJSA-N 1 2 291.315 0.757 20 5 CCBDLO Cn1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])n1 ZINC000602696235 362755383 /nfs/dbraw/zinc/75/53/83/362755383.db2.gz WWWJPCBHLRJELF-LLVKDONJSA-N 1 2 291.315 0.757 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1NCC(C)(C)[NH+]1CCOCC1 ZINC000008319090 348012178 /nfs/dbraw/zinc/01/21/78/348012178.db2.gz OGWMIOBUQLSMME-UHFFFAOYSA-N 1 2 283.332 0.851 20 5 CCBDLO COC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000042685153 348289003 /nfs/dbraw/zinc/28/90/03/348289003.db2.gz ARLJPYHUBWCVCX-UHFFFAOYSA-N 1 2 293.323 0.885 20 5 CCBDLO O=C1CC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000346444064 137286728 /nfs/dbraw/zinc/28/67/28/137286728.db2.gz BDRVBOIPCUEFSC-SNVBAGLBSA-N 1 2 279.300 0.098 20 5 CCBDLO O=C1CC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000346444064 137286729 /nfs/dbraw/zinc/28/67/29/137286729.db2.gz BDRVBOIPCUEFSC-SNVBAGLBSA-N 1 2 279.300 0.098 20 5 CCBDLO Cc1noc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000348094118 137372305 /nfs/dbraw/zinc/37/23/05/137372305.db2.gz FQUMTTKSDKVMGV-QMMMGPOBSA-N 1 2 293.283 0.799 20 5 CCBDLO NC(=O)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051104228 348484394 /nfs/dbraw/zinc/48/43/94/348484394.db2.gz YAICOBBZQHOVOR-GFCCVEGCSA-N 1 2 279.296 0.323 20 5 CCBDLO NC(=O)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051104228 348484396 /nfs/dbraw/zinc/48/43/96/348484396.db2.gz YAICOBBZQHOVOR-GFCCVEGCSA-N 1 2 279.296 0.323 20 5 CCBDLO CNC(=O)C[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088698904 349370026 /nfs/dbraw/zinc/37/00/26/349370026.db2.gz RKESCCFHFGKAHI-UHFFFAOYSA-N 1 2 292.339 0.771 20 5 CCBDLO O=[N+]([O-])c1cnccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000145196540 350464930 /nfs/dbraw/zinc/46/49/30/350464930.db2.gz JLYVUHYSTBXHTD-LLVKDONJSA-N 1 2 278.312 0.901 20 5 CCBDLO CCNC(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176198901 351160133 /nfs/dbraw/zinc/16/01/33/351160133.db2.gz CNTVZMRIMKQZGX-UHFFFAOYSA-N 1 2 296.331 0.138 20 5 CCBDLO COC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176262559 351165836 /nfs/dbraw/zinc/16/58/36/351165836.db2.gz HLIMPOHYPMSLEV-JTQLQIEISA-N 1 2 270.289 0.139 20 5 CCBDLO COC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176262559 351165840 /nfs/dbraw/zinc/16/58/40/351165840.db2.gz HLIMPOHYPMSLEV-JTQLQIEISA-N 1 2 270.289 0.139 20 5 CCBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353700263 137541372 /nfs/dbraw/zinc/54/13/72/137541372.db2.gz VUHQWIYQSIPSLQ-UHFFFAOYSA-N 1 2 250.218 0.279 20 5 CCBDLO C[C@H]1C[N@H+](CCn2cccc([N+](=O)[O-])c2=O)CCO1 ZINC000188307067 351586858 /nfs/dbraw/zinc/58/68/58/351586858.db2.gz BIPFNDASUAYYOC-JTQLQIEISA-N 1 2 267.285 0.477 20 5 CCBDLO C[C@H]1C[N@@H+](CCn2cccc([N+](=O)[O-])c2=O)CCO1 ZINC000188307067 351586860 /nfs/dbraw/zinc/58/68/60/351586860.db2.gz BIPFNDASUAYYOC-JTQLQIEISA-N 1 2 267.285 0.477 20 5 CCBDLO COc1cc(N2CC[NH+](CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000230354924 352113739 /nfs/dbraw/zinc/11/37/39/352113739.db2.gz JGQUMRDGBYZKOL-UHFFFAOYSA-N 1 2 299.302 0.857 20 5 CCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000230683768 352117001 /nfs/dbraw/zinc/11/70/01/352117001.db2.gz QXWRSAQQVBDGBN-UHFFFAOYSA-N 1 2 276.256 0.199 20 5 CCBDLO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262285800 352585536 /nfs/dbraw/zinc/58/55/36/352585536.db2.gz XXIVXYGNNNJCIE-UHFFFAOYSA-N 1 2 265.269 0.782 20 5 CCBDLO Cc1nn(C)c(N(C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265120803 352620487 /nfs/dbraw/zinc/62/04/87/352620487.db2.gz JXQXCBLURNZMKN-UHFFFAOYSA-N 1 2 283.332 0.405 20 5 CCBDLO CC(C)C(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267068306 352742404 /nfs/dbraw/zinc/74/24/04/352742404.db2.gz KIMWUGUZQRJCOV-UHFFFAOYSA-N 1 2 295.343 0.592 20 5 CCBDLO CN(C)C(=O)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269682142 352863494 /nfs/dbraw/zinc/86/34/94/352863494.db2.gz YPEPIDYAKRMDIC-LBPRGKRZSA-N 1 2 281.312 0.648 20 5 CCBDLO CN(C)C(=O)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269682142 352863498 /nfs/dbraw/zinc/86/34/98/352863498.db2.gz YPEPIDYAKRMDIC-LBPRGKRZSA-N 1 2 281.312 0.648 20 5 CCBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000278057174 353280239 /nfs/dbraw/zinc/28/02/39/353280239.db2.gz WBMMYZDKEGBMOI-UHFFFAOYSA-N 1 2 294.311 0.518 20 5 CCBDLO CN1CC[N@H+](C)[C@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000282230325 353404775 /nfs/dbraw/zinc/40/47/75/353404775.db2.gz PCMRJAUJHUYENH-LLVKDONJSA-N 1 2 279.344 0.835 20 5 CCBDLO CN1CC[N@@H+](C)[C@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000282230325 353404777 /nfs/dbraw/zinc/40/47/77/353404777.db2.gz PCMRJAUJHUYENH-LLVKDONJSA-N 1 2 279.344 0.835 20 5 CCBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cn1cc[nH+]c1 ZINC000286628097 353600871 /nfs/dbraw/zinc/60/08/71/353600871.db2.gz YDDYDWPHYUOWKI-MRVPVSSYSA-N 1 2 278.272 0.581 20 5 CCBDLO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1CCOCC1 ZINC000288058680 353684211 /nfs/dbraw/zinc/68/42/11/353684211.db2.gz FVHWALMSFXXZQJ-UHFFFAOYSA-N 1 2 283.332 0.864 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290221272 353715867 /nfs/dbraw/zinc/71/58/67/353715867.db2.gz SZBCNBITOVBQJH-QWRGUYRKSA-N 1 2 291.307 0.982 20 5 CCBDLO COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299178397 353997749 /nfs/dbraw/zinc/99/77/49/353997749.db2.gz YCNAGXRARMAHID-UHFFFAOYSA-N 1 2 282.300 0.327 20 5 CCBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331064598 354434928 /nfs/dbraw/zinc/43/49/28/354434928.db2.gz PUVMGIKAVWBKSR-JTQLQIEISA-N 1 2 295.343 0.819 20 5 CCBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331064598 354434931 /nfs/dbraw/zinc/43/49/31/354434931.db2.gz PUVMGIKAVWBKSR-JTQLQIEISA-N 1 2 295.343 0.819 20 5 CCBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCOCC1 ZINC000330558217 354410734 /nfs/dbraw/zinc/41/07/34/354410734.db2.gz QURAQRXDLJRVGE-JTQLQIEISA-N 1 2 296.327 0.384 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330568279 354417607 /nfs/dbraw/zinc/41/76/07/354417607.db2.gz LWNNKXBFESHCFC-JTQLQIEISA-N 1 2 296.327 0.384 20 5 CCBDLO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339150383 355495710 /nfs/dbraw/zinc/49/57/10/355495710.db2.gz WLDXIQOHMAYZBK-ZDUSSCGKSA-N 1 2 279.296 0.998 20 5 CCBDLO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339150383 355495713 /nfs/dbraw/zinc/49/57/13/355495713.db2.gz WLDXIQOHMAYZBK-ZDUSSCGKSA-N 1 2 279.296 0.998 20 5 CCBDLO COc1cc[nH+]cc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000348238647 355895025 /nfs/dbraw/zinc/89/50/25/355895025.db2.gz DESSRNISKFVXEL-UHFFFAOYSA-N 1 2 277.240 0.652 20 5 CCBDLO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354678297 356471895 /nfs/dbraw/zinc/47/18/95/356471895.db2.gz IPALSYMJCZTEBE-ZDUSSCGKSA-N 1 2 295.295 0.097 20 5 CCBDLO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354678297 356471899 /nfs/dbraw/zinc/47/18/99/356471899.db2.gz IPALSYMJCZTEBE-ZDUSSCGKSA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619787531 366353632 /nfs/dbraw/zinc/35/36/32/366353632.db2.gz YJNGQRQYWXVNTI-SECBINFHSA-N 1 2 290.283 0.992 20 5 CCBDLO NC(=O)C[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449775694 236050353 /nfs/dbraw/zinc/05/03/53/236050353.db2.gz RCIDNTFWMAHPFM-GFCCVEGCSA-N 1 2 279.296 0.671 20 5 CCBDLO NC(=O)C[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449775694 236050355 /nfs/dbraw/zinc/05/03/55/236050355.db2.gz RCIDNTFWMAHPFM-GFCCVEGCSA-N 1 2 279.296 0.671 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H](O)C2)c(F)c1 ZINC000294792346 199184799 /nfs/dbraw/zinc/18/47/99/199184799.db2.gz MBZXHXASOCLYCI-NSHDSACASA-N 1 2 270.260 0.927 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(F)c1 ZINC000294792346 199184801 /nfs/dbraw/zinc/18/48/01/199184801.db2.gz MBZXHXASOCLYCI-NSHDSACASA-N 1 2 270.260 0.927 20 5 CCBDLO CC1(C(N)=O)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000567792909 358586824 /nfs/dbraw/zinc/58/68/24/358586824.db2.gz UGPWEFRFPHNHFI-UHFFFAOYSA-N 1 2 289.295 0.778 20 5 CCBDLO CCn1cc[nH+]c1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000573018853 358932520 /nfs/dbraw/zinc/93/25/20/358932520.db2.gz FWSCVRZFLIQTRV-UHFFFAOYSA-N 1 2 264.245 0.464 20 5 CCBDLO CCn1cc[nH+]c1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000582369995 359140986 /nfs/dbraw/zinc/14/09/86/359140986.db2.gz BQLVDXLQJFVOSR-UHFFFAOYSA-N 1 2 292.299 0.633 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000586786081 359290440 /nfs/dbraw/zinc/29/04/40/359290440.db2.gz LGNMAOPLIFLATN-VIFPVBQESA-N 1 2 289.295 0.875 20 5 CCBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCc2[nH]c[nH+]c2C1 ZINC000590377540 359445605 /nfs/dbraw/zinc/44/56/05/359445605.db2.gz HFODKOWHWLCCEQ-UHFFFAOYSA-N 1 2 289.251 0.617 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000593032879 360018645 /nfs/dbraw/zinc/01/86/45/360018645.db2.gz FHHXZRSZDMQWEA-SKDRFNHKSA-N 1 2 268.269 0.085 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000593032879 360018651 /nfs/dbraw/zinc/01/86/51/360018651.db2.gz FHHXZRSZDMQWEA-SKDRFNHKSA-N 1 2 268.269 0.085 20 5 CCBDLO Cc1noc(C[N@@H+](CCO)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595491735 360549703 /nfs/dbraw/zinc/54/97/03/360549703.db2.gz XIYSNYGOLLMKRF-SSDOTTSWSA-N 1 2 259.262 0.066 20 5 CCBDLO Cc1noc(C[N@H+](CCO)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595491735 360549707 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O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596098611 360794081 /nfs/dbraw/zinc/79/40/81/360794081.db2.gz SBWJXOCRPMDSTE-UHFFFAOYSA-N 1 2 293.279 0.115 20 5 CCBDLO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596542698 360918255 /nfs/dbraw/zinc/91/82/55/360918255.db2.gz OPBJKQWQSHQMJH-SSDOTTSWSA-N 1 2 290.283 0.995 20 5 CCBDLO Cc1nc(NC[C@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000599161793 361592666 /nfs/dbraw/zinc/59/26/66/361592666.db2.gz VYKXBBOQXWQCPO-JTQLQIEISA-N 1 2 266.301 0.463 20 5 CCBDLO Cc1nc(NC[C@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000599161793 361592669 /nfs/dbraw/zinc/59/26/69/361592669.db2.gz VYKXBBOQXWQCPO-JTQLQIEISA-N 1 2 266.301 0.463 20 5 CCBDLO Cc1cc(NC[C@H]2COCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000599160465 361593056 /nfs/dbraw/zinc/59/30/56/361593056.db2.gz KAGFNRCSXAMAJN-JTQLQIEISA-N 1 2 266.301 0.463 20 5 CCBDLO Cc1cc(NC[C@H]2COCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000599160465 361593059 /nfs/dbraw/zinc/59/30/59/361593059.db2.gz KAGFNRCSXAMAJN-JTQLQIEISA-N 1 2 266.301 0.463 20 5 CCBDLO Cc1cn2c([nH+]1)CN(C(=O)c1c([N+](=O)[O-])cnn1C)CC2 ZINC000611894857 363803922 /nfs/dbraw/zinc/80/39/22/363803922.db2.gz RCJRTGSKRLLPGR-UHFFFAOYSA-N 1 2 290.283 0.489 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599530419 361727205 /nfs/dbraw/zinc/72/72/05/361727205.db2.gz WXEGZYSWFCBEMN-QWRGUYRKSA-N 1 2 282.296 0.333 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330595339 203016493 /nfs/dbraw/zinc/01/64/93/203016493.db2.gz BKVDWAQLYLCLNJ-VXGBXAGGSA-N 1 2 282.296 0.795 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330595339 203016495 /nfs/dbraw/zinc/01/64/95/203016495.db2.gz BKVDWAQLYLCLNJ-VXGBXAGGSA-N 1 2 282.296 0.795 20 5 CCBDLO C[C@@H](O)C[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339202642 296180245 /nfs/dbraw/zinc/18/02/45/296180245.db2.gz JMBUCWGQYOMZJK-SECBINFHSA-N 1 2 270.285 0.476 20 5 CCBDLO C[C@@H](O)C[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339202642 296180246 /nfs/dbraw/zinc/18/02/46/296180246.db2.gz JMBUCWGQYOMZJK-SECBINFHSA-N 1 2 270.285 0.476 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352795491 249006542 /nfs/dbraw/zinc/00/65/42/249006542.db2.gz DHPFUCMRQZGRCC-RYUDHWBXSA-N 1 2 282.296 0.795 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352795491 249006545 /nfs/dbraw/zinc/00/65/45/249006545.db2.gz DHPFUCMRQZGRCC-RYUDHWBXSA-N 1 2 282.296 0.795 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(F)c1 ZINC000459679486 249051451 /nfs/dbraw/zinc/05/14/51/249051451.db2.gz ODEALDLHFVJODK-KRTXAFLBSA-N 1 2 288.250 0.658 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(F)c1 ZINC000459679486 249051453 /nfs/dbraw/zinc/05/14/53/249051453.db2.gz ODEALDLHFVJODK-KRTXAFLBSA-N 1 2 288.250 0.658 20 5 CCBDLO [NH3+]CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286076153 388832170 /nfs/dbraw/zinc/83/21/70/388832170.db2.gz MNBOJGBCGCOGMB-UHFFFAOYSA-N 1 2 253.258 0.769 20 5 CCBDLO CCc1n[nH]c(C(=O)NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000264608479 389338992 /nfs/dbraw/zinc/33/89/92/389338992.db2.gz JPKCDZKUFYMIRV-UHFFFAOYSA-N 1 2 278.272 0.507 20 5 CCBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CO1 ZINC000159715530 389371760 /nfs/dbraw/zinc/37/17/60/389371760.db2.gz VNURICXFCMNUKC-GHMZBOCLSA-N 1 2 281.312 0.866 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CO1 ZINC000159715530 389371762 /nfs/dbraw/zinc/37/17/62/389371762.db2.gz VNURICXFCMNUKC-GHMZBOCLSA-N 1 2 281.312 0.866 20 5 CCBDLO COCC[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000160887710 389402149 /nfs/dbraw/zinc/40/21/49/389402149.db2.gz IVLNRRNSPSCPOA-VIFPVBQESA-N 1 2 297.315 0.111 20 5 CCBDLO COCC[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000160887710 389402150 /nfs/dbraw/zinc/40/21/50/389402150.db2.gz IVLNRRNSPSCPOA-VIFPVBQESA-N 1 2 297.315 0.111 20 5 CCBDLO CC[C@H](C(N)=O)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000171074524 389470906 /nfs/dbraw/zinc/47/09/06/389470906.db2.gz GKTRZYVCQIWKDL-LLVKDONJSA-N 1 2 292.339 0.981 20 5 CCBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@](=O)C1 ZINC000277306954 389554971 /nfs/dbraw/zinc/55/49/71/389554971.db2.gz CRNIEXAUAUSSOJ-DGIBIBHMSA-N 1 2 286.357 0.492 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@](=O)C1 ZINC000277306954 389554973 /nfs/dbraw/zinc/55/49/73/389554973.db2.gz CRNIEXAUAUSSOJ-DGIBIBHMSA-N 1 2 286.357 0.492 20 5 CCBDLO CC[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000442810117 389864189 /nfs/dbraw/zinc/86/41/89/389864189.db2.gz MTDFDNOAQTWERK-ZETCQYMHSA-N 1 2 278.272 0.933 20 5 CCBDLO NC(=O)c1cccc([N+](=O)[O-])c1NCC[NH+]1CCOCC1 ZINC000420587761 390014573 /nfs/dbraw/zinc/01/45/73/390014573.db2.gz PSAGXMJMIYGJFW-UHFFFAOYSA-N 1 2 294.311 0.438 20 5 CCBDLO CCN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1=O ZINC000495250535 390229826 /nfs/dbraw/zinc/22/98/26/390229826.db2.gz UHJXRGRGFSWVKS-JTQLQIEISA-N 1 2 281.316 0.344 20 5 CCBDLO CCN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1=O ZINC000495250535 390229830 /nfs/dbraw/zinc/22/98/30/390229830.db2.gz UHJXRGRGFSWVKS-JTQLQIEISA-N 1 2 281.316 0.344 20 5 CCBDLO NC(=O)[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000584001820 390333310 /nfs/dbraw/zinc/33/33/10/390333310.db2.gz AJZLHKGBZNJWMW-GFCCVEGCSA-N 1 2 299.714 0.982 20 5 CCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000547845497 390405097 /nfs/dbraw/zinc/40/50/97/390405097.db2.gz INHNSQXBSYLTNM-UHFFFAOYSA-N 1 2 292.299 0.735 20 5 CCBDLO [NH3+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262059089 131187776 /nfs/dbraw/zinc/18/77/76/131187776.db2.gz IGWJBVRCLNAXFD-QMMMGPOBSA-N 1 2 251.242 0.474 20 5 CCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1[nH]cc[nH+]1 ZINC000358115697 144153467 /nfs/dbraw/zinc/15/34/67/144153467.db2.gz FCWZBNWYDDEHJC-UHFFFAOYSA-N 1 2 264.245 0.221 20 5 CCBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@H](O)C[C@@H]2CO)c(F)c1 ZINC000285787542 196398683 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CNC(=O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000182482667 521769789 /nfs/dbraw/zinc/76/97/89/521769789.db2.gz QLGFXNLADVIIGM-GFCCVEGCSA-N 1 2 279.296 0.542 20 5 CCBDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000182482667 521769803 /nfs/dbraw/zinc/76/98/03/521769803.db2.gz QLGFXNLADVIIGM-GFCCVEGCSA-N 1 2 279.296 0.542 20 5 CCBDLO CC[C@H]1C[N@H+](CCNc2c([N+](=O)[O-])ncn2C)CCO1 ZINC000362684032 536150638 /nfs/dbraw/zinc/15/06/38/536150638.db2.gz NSJMLTFVEJVYRE-JTQLQIEISA-N 1 2 283.332 0.851 20 5 CCBDLO CC[C@H]1C[N@@H+](CCNc2c([N+](=O)[O-])ncn2C)CCO1 ZINC000362684032 536150640 /nfs/dbraw/zinc/15/06/40/536150640.db2.gz NSJMLTFVEJVYRE-JTQLQIEISA-N 1 2 283.332 0.851 20 5 CCBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000790454612 581187967 /nfs/dbraw/zinc/18/79/67/581187967.db2.gz QWOQJCLCTMEHAP-JTQLQIEISA-N 1 2 279.300 0.446 20 5 CCBDLO O=C1CCCN1[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000790454612 581187968 /nfs/dbraw/zinc/18/79/68/581187968.db2.gz QWOQJCLCTMEHAP-JTQLQIEISA-N 1 2 279.300 0.446 20 5 CCBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791053285 581205919 /nfs/dbraw/zinc/20/59/19/581205919.db2.gz KNHIZSBKFAICQZ-CYBMUJFWSA-N 1 2 298.387 0.282 20 5 CCBDLO Cn1c[nH+]cc1CCOC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000793240131 581288769 /nfs/dbraw/zinc/28/87/69/581288769.db2.gz DQUQCKNBSFHTME-UHFFFAOYSA-N 1 2 279.256 0.311 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000784913773 581398750 /nfs/dbraw/zinc/39/87/50/581398750.db2.gz HCCMTWSSJJIIKL-JTQLQIEISA-N 1 2 295.295 0.867 20 5 CCBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@H]2CO)c1 ZINC000769904040 581713112 /nfs/dbraw/zinc/71/31/12/581713112.db2.gz RERCZGDNCAZLHK-OLZOCXBDSA-N 1 2 282.296 0.321 20 5 CCBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CO)c1 ZINC000769904040 581713115 /nfs/dbraw/zinc/71/31/15/581713115.db2.gz RERCZGDNCAZLHK-OLZOCXBDSA-N 1 2 282.296 0.321 20 5 CCBDLO C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581513 582080361 /nfs/dbraw/zinc/08/03/61/582080361.db2.gz JDEFYJDOHQSLAD-BXKDBHETSA-N 1 2 279.296 0.449 20 5 CCBDLO C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581513 582080363 /nfs/dbraw/zinc/08/03/63/582080363.db2.gz JDEFYJDOHQSLAD-BXKDBHETSA-N 1 2 279.296 0.449 20 5 CCBDLO CCOC(=O)[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000902421671 615379462 /nfs/dbraw/zinc/37/94/62/615379462.db2.gz OXTZCTLBKDWDSA-VIFPVBQESA-N 1 2 268.273 0.634 20 5 CCBDLO CCOC(=O)[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000902421671 615379464 /nfs/dbraw/zinc/37/94/64/615379464.db2.gz OXTZCTLBKDWDSA-VIFPVBQESA-N 1 2 268.273 0.634 20 5 CCBDLO C[NH+](C)CCOc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC000839718175 615910526 /nfs/dbraw/zinc/91/05/26/615910526.db2.gz YJKPJVHVPZKNID-GHMZBOCLSA-N 1 2 294.311 0.626 20 5 CCBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092036 625762212 /nfs/dbraw/zinc/76/22/12/625762212.db2.gz UKDFQQWKEUDZQN-PHIMTYICSA-N 1 2 256.233 0.271 20 5 CCBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092036 625762225 /nfs/dbraw/zinc/76/22/25/625762225.db2.gz UKDFQQWKEUDZQN-PHIMTYICSA-N 1 2 256.233 0.271 20 5 CCBDLO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1c1c(F)cccc1F ZINC000905160088 634804195 /nfs/dbraw/zinc/80/41/95/634804195.db2.gz ODEWYKDYKKUEKE-JTQLQIEISA-N 1 2 285.250 0.936 20 5 CCBDLO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000912750496 636667732 /nfs/dbraw/zinc/66/77/32/636667732.db2.gz DPCBVESBGFVWNH-LLVKDONJSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000912750496 636667748 /nfs/dbraw/zinc/66/77/48/636667748.db2.gz DPCBVESBGFVWNH-LLVKDONJSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000913551254 636845489 /nfs/dbraw/zinc/84/54/89/636845489.db2.gz LSALHHIFJCSFES-CYBMUJFWSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000913551254 636845493 /nfs/dbraw/zinc/84/54/93/636845493.db2.gz LSALHHIFJCSFES-CYBMUJFWSA-N 1 2 293.323 0.652 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000839652523 640348220 /nfs/dbraw/zinc/34/82/20/640348220.db2.gz OMCIKLXEOWVCIE-HBNTYKKESA-N 1 2 264.285 0.712 20 5 CCBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812293571 640997013 /nfs/dbraw/zinc/99/70/13/640997013.db2.gz VJWPQSNQQQEBCE-SNVBAGLBSA-N 1 2 262.273 0.892 20 5 CCBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000812293571 640997019 /nfs/dbraw/zinc/99/70/19/640997019.db2.gz VJWPQSNQQQEBCE-SNVBAGLBSA-N 1 2 262.273 0.892 20 5 CCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823112840 641739030 /nfs/dbraw/zinc/73/90/30/641739030.db2.gz PISQREZQQDERFS-NSHDSACASA-N 1 2 287.360 0.659 20 5 CCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823112840 641739033 /nfs/dbraw/zinc/73/90/33/641739033.db2.gz PISQREZQQDERFS-NSHDSACASA-N 1 2 287.360 0.659 20 5 CCBDLO CC(=O)NCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000842633696 642919699 /nfs/dbraw/zinc/91/96/99/642919699.db2.gz RODLPMBQFXJXME-UHFFFAOYSA-N 1 2 291.311 0.970 20 5 CCBDLO CC(=O)NCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000842633696 642919714 /nfs/dbraw/zinc/91/97/14/642919714.db2.gz RODLPMBQFXJXME-UHFFFAOYSA-N 1 2 291.311 0.970 20 5 CCBDLO Nc1nccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857980246 644588252 /nfs/dbraw/zinc/58/82/52/644588252.db2.gz VMXPYZAKTACHEE-QMMMGPOBSA-N 1 2 288.267 0.643 20 5 CCBDLO O=C1NCCC12CC[NH+](Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000872788207 646325405 /nfs/dbraw/zinc/32/54/05/646325405.db2.gz LJYXPSHBPVGVRT-UHFFFAOYSA-N 1 2 279.300 0.351 20 5 CCBDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)O1 ZINC000839478171 800025494 /nfs/dbraw/zinc/02/54/94/800025494.db2.gz DBJRDURUIKBJLU-WRWGMCAJSA-N 1 2 299.371 0.656 20 5 CCBDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)O1 ZINC000839478171 800025501 /nfs/dbraw/zinc/02/55/01/800025501.db2.gz DBJRDURUIKBJLU-WRWGMCAJSA-N 1 2 299.371 0.656 20 5 CCBDLO O=[N+]([O-])c1c[nH]c(O[C@@H]2CCC[NH2+]C2)c2ncnc1-2 ZINC001218282934 803945558 /nfs/dbraw/zinc/94/55/58/803945558.db2.gz FRSHJRKNYFJUFQ-SSDOTTSWSA-N 1 2 263.257 0.997 20 5 CCBDLO C[N@@H+]1CCO[C@H](COc2cccnc2[N+](=O)[O-])C1 ZINC001225629547 805146452 /nfs/dbraw/zinc/14/64/52/805146452.db2.gz OVRYTVPQLRVQIP-VIFPVBQESA-N 1 2 253.258 0.699 20 5 CCBDLO C[N@H+]1CCO[C@H](COc2cccnc2[N+](=O)[O-])C1 ZINC001225629547 805146454 /nfs/dbraw/zinc/14/64/54/805146454.db2.gz OVRYTVPQLRVQIP-VIFPVBQESA-N 1 2 253.258 0.699 20 5 CCBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3[nH]ccc(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225666425 805148700 /nfs/dbraw/zinc/14/87/00/805148700.db2.gz IQEIKQNOVIRLOS-NMLBEHRDSA-N 1 2 293.279 0.878 20 5 CCBDLO C[N@H+]1[C@@H]2C[C@H](Oc3[nH]ccc(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225666425 805148707 /nfs/dbraw/zinc/14/87/07/805148707.db2.gz IQEIKQNOVIRLOS-NMLBEHRDSA-N 1 2 293.279 0.878 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(F)cc1[N+](=O)[O-] ZINC001161944872 818524829 /nfs/dbraw/zinc/52/48/29/818524829.db2.gz AFDVRRMOVURVNR-SSDOTTSWSA-N 1 2 272.236 0.431 20 5 CCBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC001120063610 821487135 /nfs/dbraw/zinc/48/71/35/821487135.db2.gz FJQYMPYIADTPFF-LLVKDONJSA-N 1 2 280.328 0.934 20 5 CCBDLO COC(=O)[C@]1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOC1 ZINC001169001499 836095502 /nfs/dbraw/zinc/09/55/02/836095502.db2.gz GOZIKMZVJOYVMH-FOGDFJRCSA-N 1 2 272.301 0.354 20 5 CCBDLO C[C@H]1C[N@H+](CCNc2nn(C)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC001186990376 844635438 /nfs/dbraw/zinc/63/54/38/844635438.db2.gz ZPDSVSWNWOCNDV-UWVGGRQHSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@H]1C[N@@H+](CCNc2nn(C)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC001186990376 844635442 /nfs/dbraw/zinc/63/54/42/844635442.db2.gz ZPDSVSWNWOCNDV-UWVGGRQHSA-N 1 2 283.332 0.849 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCn1cc[nH+]c1 ZINC001116428324 855765035 /nfs/dbraw/zinc/76/50/35/855765035.db2.gz MXHSBGZERZYKTI-UHFFFAOYSA-N 1 2 278.272 0.345 20 5 CCBDLO Cc1nn(C)c(C(=O)NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC001116645902 855804172 /nfs/dbraw/zinc/80/41/72/855804172.db2.gz RZBZRGANFDKADR-UHFFFAOYSA-N 1 2 292.299 0.343 20 5 CCBDLO Cc1nnc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)o1 ZINC001323795864 912524979 /nfs/dbraw/zinc/52/49/79/912524979.db2.gz CDHZYHJELISAJM-ZETCQYMHSA-N 1 2 266.261 0.834 20 5 CCBDLO Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)o1 ZINC001493544019 895630467 /nfs/dbraw/zinc/63/04/67/895630467.db2.gz FWGPUCOJIAUUDR-ZYHUDNBSSA-N 1 2 296.327 0.505 20 5 CCBDLO Nc1cc(Cn2cc([N+](=O)[O-])cc(F)c2=O)cc[nH+]1 ZINC001307360715 908308509 /nfs/dbraw/zinc/30/85/09/908308509.db2.gz BYDBNFUDBACPGY-UHFFFAOYSA-N 1 2 264.216 0.921 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCCCn2cc[nH+]c2)n1 ZINC001319628925 910237645 /nfs/dbraw/zinc/23/76/45/910237645.db2.gz BYMORURKWJXYPC-UHFFFAOYSA-N 1 2 278.272 0.345 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCn2c[nH+]cc2C1 ZINC001330177630 916455412 /nfs/dbraw/zinc/45/54/12/916455412.db2.gz SSQAZCWQYGVMCW-UHFFFAOYSA-N 1 2 276.256 0.181 20 5 CCBDLO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@H]21 ZINC000599992634 361848847 /nfs/dbraw/zinc/84/88/47/361848847.db2.gz ZTRPMGHUVNSHCS-PJXYFTJBSA-N 1 2 291.307 0.932 20 5 CCBDLO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600808842 362066134 /nfs/dbraw/zinc/06/61/34/362066134.db2.gz SVHCMQLTVBRWFA-JTQLQIEISA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600808842 362066136 /nfs/dbraw/zinc/06/61/36/362066136.db2.gz SVHCMQLTVBRWFA-JTQLQIEISA-N 1 2 295.295 0.097 20 5 CCBDLO COc1c(C(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000114014030 349821409 /nfs/dbraw/zinc/82/14/09/349821409.db2.gz HDJXAZICQLIGQH-UHFFFAOYSA-N 1 2 279.296 0.991 20 5 CCBDLO C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601980383 362449595 /nfs/dbraw/zinc/44/95/95/362449595.db2.gz UWMPRXUKYPAVCM-SECBINFHSA-N 1 2 286.719 0.756 20 5 CCBDLO C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601980383 362449598 /nfs/dbraw/zinc/44/95/98/362449598.db2.gz UWMPRXUKYPAVCM-SECBINFHSA-N 1 2 286.719 0.756 20 5 CCBDLO CCC[C@H]1C(=O)NCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602797442 362806628 /nfs/dbraw/zinc/80/66/28/362806628.db2.gz JBQOAVVEOIYMHV-NSHDSACASA-N 1 2 295.343 0.700 20 5 CCBDLO CCC[C@H]1C(=O)NCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602797442 362806635 /nfs/dbraw/zinc/80/66/35/362806635.db2.gz JBQOAVVEOIYMHV-NSHDSACASA-N 1 2 295.343 0.700 20 5 CCBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000535146462 290828537 /nfs/dbraw/zinc/82/85/37/290828537.db2.gz DUIBUPDNIXNGFP-UHFFFAOYSA-N 1 2 275.268 0.996 20 5 CCBDLO COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344799896 137214120 /nfs/dbraw/zinc/21/41/20/137214120.db2.gz ZRWJZMOZSCVKEY-UHFFFAOYSA-N 1 2 296.327 0.338 20 5 CCBDLO O=C1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN12 ZINC000346485222 137289188 /nfs/dbraw/zinc/28/91/88/137289188.db2.gz LPDZLADZTNPKSB-SNVBAGLBSA-N 1 2 279.300 0.098 20 5 CCBDLO O=C1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN12 ZINC000346485222 137289189 /nfs/dbraw/zinc/28/91/89/137289189.db2.gz LPDZLADZTNPKSB-SNVBAGLBSA-N 1 2 279.300 0.098 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046884528 348365079 /nfs/dbraw/zinc/36/50/79/348365079.db2.gz DOLGIWPNRGWNDA-VIFPVBQESA-N 1 2 283.284 0.638 20 5 CCBDLO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)Cn1cc[nH+]c1 ZINC000347517849 137340874 /nfs/dbraw/zinc/34/08/74/137340874.db2.gz JECDDLSQZUAFLA-SECBINFHSA-N 1 2 292.299 0.591 20 5 CCBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000088147550 179556846 /nfs/dbraw/zinc/55/68/46/179556846.db2.gz ZEWIJSTUWDZANX-UHFFFAOYSA-N 1 2 293.323 0.653 20 5 CCBDLO Cn1c[nH+]c(CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000412422224 233149175 /nfs/dbraw/zinc/14/91/75/233149175.db2.gz WBNGVRANYXZXCX-UHFFFAOYSA-N 1 2 291.267 0.401 20 5 CCBDLO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000078534031 349142752 /nfs/dbraw/zinc/14/27/52/349142752.db2.gz SMLLNWYGLUUKNE-JTQLQIEISA-N 1 2 281.312 0.917 20 5 CCBDLO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000078534031 349142755 /nfs/dbraw/zinc/14/27/55/349142755.db2.gz SMLLNWYGLUUKNE-JTQLQIEISA-N 1 2 281.312 0.917 20 5 CCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])nc1 ZINC000081015595 349240543 /nfs/dbraw/zinc/24/05/43/349240543.db2.gz KIRJYVJIPRJANX-GFCCVEGCSA-N 1 2 296.327 0.119 20 5 CCBDLO Cc1cc(C(=O)NCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000121833292 350058433 /nfs/dbraw/zinc/05/84/33/350058433.db2.gz VOOHSIDLXHCHPF-UHFFFAOYSA-N 1 2 293.323 0.965 20 5 CCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000090698541 180027063 /nfs/dbraw/zinc/02/70/63/180027063.db2.gz SJKUJQYYMQTGIP-CYBMUJFWSA-N 1 2 290.323 0.324 20 5 CCBDLO 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Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913544938 636842734 /nfs/dbraw/zinc/84/27/34/636842734.db2.gz QAXJUUGYQYTHIP-NSHDSACASA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913544938 636842736 /nfs/dbraw/zinc/84/27/36/636842736.db2.gz QAXJUUGYQYTHIP-NSHDSACASA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000913555177 636991923 /nfs/dbraw/zinc/99/19/23/636991923.db2.gz VYNBRRZEQGDILO-LBPRGKRZSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000913555177 636991927 /nfs/dbraw/zinc/99/19/27/636991927.db2.gz VYNBRRZEQGDILO-LBPRGKRZSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921415068 638179577 /nfs/dbraw/zinc/17/95/77/638179577.db2.gz DBPYXFZVKIIKDH-SNVBAGLBSA-N 1 2 299.352 0.886 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921415068 638179580 /nfs/dbraw/zinc/17/95/80/638179580.db2.gz DBPYXFZVKIIKDH-SNVBAGLBSA-N 1 2 299.352 0.886 20 5 CCBDLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839703265 640354870 /nfs/dbraw/zinc/35/48/70/640354870.db2.gz ASHPKMRJQOTMKU-NXEZZACHSA-N 1 2 260.253 0.616 20 5 CCBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000801818668 640667889 /nfs/dbraw/zinc/66/78/89/640667889.db2.gz ZINWOQYLZXFDNU-UHFFFAOYSA-N 1 2 293.258 0.943 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000107840687 643678973 /nfs/dbraw/zinc/67/89/73/643678973.db2.gz HMGVCOUYKAHQBZ-GHMZBOCLSA-N 1 2 276.296 0.395 20 5 CCBDLO O=[N+]([O-])c1cnn(C2CC([NH2+]CC(F)(F)CO)C2)c1 ZINC000877390839 646809350 /nfs/dbraw/zinc/80/93/50/646809350.db2.gz AGCCOPIMGLBOQN-UHFFFAOYSA-N 1 2 276.243 0.712 20 5 CCBDLO Nc1ccc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000041979372 649285653 /nfs/dbraw/zinc/28/56/53/649285653.db2.gz UBDAGMNSNUWGHY-UHFFFAOYSA-N 1 2 275.268 0.804 20 5 CCBDLO Cc1nn(C)c(C(=O)NCCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC001124080210 799553754 /nfs/dbraw/zinc/55/37/54/799553754.db2.gz JDXJBXJQGARIOR-UHFFFAOYSA-N 1 2 292.299 0.343 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2nccc(C)c2[N+](=O)[O-])C[NH2+]1 ZINC001156242119 801137939 /nfs/dbraw/zinc/13/79/39/801137939.db2.gz AIJZDGWOEAXXEU-IUCAKERBSA-N 1 2 280.284 0.614 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C[NH2+]1 ZINC001158253756 801603605 /nfs/dbraw/zinc/60/36/05/801603605.db2.gz AIJZDGWOEAXXEU-BDAKNGLRSA-N 1 2 280.284 0.614 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2nccnc2[N+](=O)[O-])C1 ZINC001162679812 802386513 /nfs/dbraw/zinc/38/65/13/802386513.db2.gz AZZFAELBTPMLBR-QMMMGPOBSA-N 1 2 253.262 0.127 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2nccnc2[N+](=O)[O-])C1 ZINC001162679812 802386521 /nfs/dbraw/zinc/38/65/21/802386521.db2.gz AZZFAELBTPMLBR-QMMMGPOBSA-N 1 2 253.262 0.127 20 5 CCBDLO O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2CC[NH2+]C2)[nH]1 ZINC001218179854 803934070 /nfs/dbraw/zinc/93/40/70/803934070.db2.gz QBUNPNWFQVTHGI-QMMMGPOBSA-N 1 2 276.252 0.984 20 5 CCBDLO C[N@@H+]1CCO[C@@H](COc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733680 805274453 /nfs/dbraw/zinc/27/44/53/805274453.db2.gz RTCPBZQVAGATEO-SECBINFHSA-N 1 2 254.246 0.094 20 5 CCBDLO C[N@H+]1CCO[C@@H](COc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733680 805274460 /nfs/dbraw/zinc/27/44/60/805274460.db2.gz RTCPBZQVAGATEO-SECBINFHSA-N 1 2 254.246 0.094 20 5 CCBDLO C[N@@H+]1CCO[C@H](COc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733682 805275611 /nfs/dbraw/zinc/27/56/11/805275611.db2.gz RTCPBZQVAGATEO-VIFPVBQESA-N 1 2 254.246 0.094 20 5 CCBDLO C[N@H+]1CCO[C@H](COc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733682 805275618 /nfs/dbraw/zinc/27/56/18/805275618.db2.gz RTCPBZQVAGATEO-VIFPVBQESA-N 1 2 254.246 0.094 20 5 CCBDLO C[N@@H+]1CCO[C@@H](COc2cncc([N+](=O)[O-])c2)C1 ZINC001227991783 805405427 /nfs/dbraw/zinc/40/54/27/805405427.db2.gz ZJNIQDBMOXXAGN-LLVKDONJSA-N 1 2 253.258 0.699 20 5 CCBDLO C[N@H+]1CCO[C@@H](COc2cncc([N+](=O)[O-])c2)C1 ZINC001227991783 805405431 /nfs/dbraw/zinc/40/54/31/805405431.db2.gz ZJNIQDBMOXXAGN-LLVKDONJSA-N 1 2 253.258 0.699 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCCn1cc[nH+]c1 ZINC001253922071 808159683 /nfs/dbraw/zinc/15/96/83/808159683.db2.gz CWUREFXLUOLBJU-UHFFFAOYSA-N 1 2 292.299 0.735 20 5 CCBDLO C[C@@H]1C(=O)NCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597572 808265542 /nfs/dbraw/zinc/26/55/42/808265542.db2.gz FKQJOLRFYWAAAY-RNCFNFMXSA-N 1 2 275.308 0.882 20 5 CCBDLO C[C@@H]1C(=O)NCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597572 808265547 /nfs/dbraw/zinc/26/55/47/808265547.db2.gz FKQJOLRFYWAAAY-RNCFNFMXSA-N 1 2 275.308 0.882 20 5 CCBDLO Cc1ccccc1C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001030292454 815961544 /nfs/dbraw/zinc/96/15/44/815961544.db2.gz JVBSMFZMEWXMQB-ZIAGYGMSSA-N 1 2 289.335 0.961 20 5 CCBDLO CN(C)C(=O)c1nc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168968140 836088533 /nfs/dbraw/zinc/08/85/33/836088533.db2.gz WOEJJRQYNFZTFP-RKDXNWHRSA-N 1 2 297.315 0.306 20 5 CCBDLO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168974489 836092200 /nfs/dbraw/zinc/09/22/00/836092200.db2.gz QXJCNSLRHSBOJH-RCWTZXSCSA-N 1 2 274.317 0.334 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(OC)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001169123322 836140311 /nfs/dbraw/zinc/14/03/11/836140311.db2.gz FTROIEKGRAJOEX-SFYZADRCSA-N 1 2 296.283 0.314 20 5 CCBDLO C[C@@H]1C[N@H+](CCNc2nn(C)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC001186990377 844635602 /nfs/dbraw/zinc/63/56/02/844635602.db2.gz ZPDSVSWNWOCNDV-VHSXEESVSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNc2nn(C)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC001186990377 844635605 /nfs/dbraw/zinc/63/56/05/844635605.db2.gz ZPDSVSWNWOCNDV-VHSXEESVSA-N 1 2 283.332 0.849 20 5 CCBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001331701641 904007878 /nfs/dbraw/zinc/00/78/78/904007878.db2.gz JMNPYNCSEJFBBS-WDEREUQCSA-N 1 2 267.285 0.165 20 5 CCBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001331701641 904007891 /nfs/dbraw/zinc/00/78/91/904007891.db2.gz JMNPYNCSEJFBBS-WDEREUQCSA-N 1 2 267.285 0.165 20 5 CCBDLO CC(C)(CCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)[N+](=O)[O-] ZINC001302059029 908003694 /nfs/dbraw/zinc/00/36/94/908003694.db2.gz HFBQJNVYLCEXKA-NSHDSACASA-N 1 2 295.343 0.718 20 5 CCBDLO CC(=O)NC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC001330546886 916691525 /nfs/dbraw/zinc/69/15/25/916691525.db2.gz KQTZARFBDQATDK-UHFFFAOYSA-N 1 2 282.300 0.992 20 5 CCBDLO Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000600420942 361956769 /nfs/dbraw/zinc/95/67/69/361956769.db2.gz MBBMECOMXUWVMP-CYBMUJFWSA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000600420942 361956772 /nfs/dbraw/zinc/95/67/72/361956772.db2.gz MBBMECOMXUWVMP-CYBMUJFWSA-N 1 2 293.323 0.964 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000600424583 361958711 /nfs/dbraw/zinc/95/87/11/361958711.db2.gz LEUFFUFSKYSCEI-ZDUSSCGKSA-N 1 2 293.323 0.584 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000600424583 361958714 /nfs/dbraw/zinc/95/87/14/361958714.db2.gz LEUFFUFSKYSCEI-ZDUSSCGKSA-N 1 2 293.323 0.584 20 5 CCBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000116890911 349876619 /nfs/dbraw/zinc/87/66/19/349876619.db2.gz HSMJHVYJVPDVPJ-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000116890911 349876621 /nfs/dbraw/zinc/87/66/21/349876621.db2.gz HSMJHVYJVPDVPJ-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000428130147 530026260 /nfs/dbraw/zinc/02/62/60/530026260.db2.gz JLSJGVNQUAXIQO-UHFFFAOYSA-N 1 2 273.256 0.997 20 5 CCBDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602640007 362726908 /nfs/dbraw/zinc/72/69/08/362726908.db2.gz OESYMURQPJLDRA-LLVKDONJSA-N 1 2 297.359 0.481 20 5 CCBDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602640007 362726912 /nfs/dbraw/zinc/72/69/12/362726912.db2.gz OESYMURQPJLDRA-LLVKDONJSA-N 1 2 297.359 0.481 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602640007 362726915 /nfs/dbraw/zinc/72/69/15/362726915.db2.gz OESYMURQPJLDRA-LLVKDONJSA-N 1 2 297.359 0.481 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000602809558 362812855 /nfs/dbraw/zinc/81/28/55/362812855.db2.gz IPAWFBWRHHAXFK-PWSUYJOCSA-N 1 2 298.343 0.571 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000602809558 362812858 /nfs/dbraw/zinc/81/28/58/362812858.db2.gz IPAWFBWRHHAXFK-PWSUYJOCSA-N 1 2 298.343 0.571 20 5 CCBDLO CNC(=O)N1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602793281 362802824 /nfs/dbraw/zinc/80/28/24/362802824.db2.gz OPMFBWNDTJFUSN-UHFFFAOYSA-N 1 2 296.331 0.057 20 5 CCBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796238 362805055 /nfs/dbraw/zinc/80/50/55/362805055.db2.gz DVJVYAPUGKMSFT-QMMMGPOBSA-N 1 2 267.289 0.039 20 5 CCBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796238 362805059 /nfs/dbraw/zinc/80/50/59/362805059.db2.gz DVJVYAPUGKMSFT-QMMMGPOBSA-N 1 2 267.289 0.039 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000602798723 362805713 /nfs/dbraw/zinc/80/57/13/362805713.db2.gz GHHJSUCQBHNHDU-UHFFFAOYSA-N 1 2 276.300 0.881 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cn[nH]c2C1 ZINC000602798723 362805717 /nfs/dbraw/zinc/80/57/17/362805717.db2.gz GHHJSUCQBHNHDU-UHFFFAOYSA-N 1 2 276.300 0.881 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000602829352 362823630 /nfs/dbraw/zinc/82/36/30/362823630.db2.gz QKNIPXMUEIDXNT-SECBINFHSA-N 1 2 291.315 0.768 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2cnnc2[C@H]1C ZINC000602829352 362823633 /nfs/dbraw/zinc/82/36/33/362823633.db2.gz QKNIPXMUEIDXNT-SECBINFHSA-N 1 2 291.315 0.768 20 5 CCBDLO CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000341384660 137086873 /nfs/dbraw/zinc/08/68/73/137086873.db2.gz QUQMLCLDXNOYAK-UHFFFAOYSA-N 1 2 279.300 0.394 20 5 CCBDLO NC(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342873245 137101711 /nfs/dbraw/zinc/10/17/11/137101711.db2.gz TTWAXFLXJABATP-QMMMGPOBSA-N 1 2 282.275 0.977 20 5 CCBDLO NC(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342873245 137101712 /nfs/dbraw/zinc/10/17/12/137101712.db2.gz TTWAXFLXJABATP-QMMMGPOBSA-N 1 2 282.275 0.977 20 5 CCBDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000031345403 348124515 /nfs/dbraw/zinc/12/45/15/348124515.db2.gz CNQBHROJDPENCL-UHFFFAOYSA-N 1 2 294.311 0.729 20 5 CCBDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000031345403 348124517 /nfs/dbraw/zinc/12/45/17/348124517.db2.gz CNQBHROJDPENCL-UHFFFAOYSA-N 1 2 294.311 0.729 20 5 CCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000042533425 348284266 /nfs/dbraw/zinc/28/42/66/348284266.db2.gz BXJYIFUHUWSVHA-VIFPVBQESA-N 1 2 278.272 0.193 20 5 CCBDLO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000054257310 348546399 /nfs/dbraw/zinc/54/63/99/348546399.db2.gz VJVJKJTVCQESMQ-UHFFFAOYSA-N 1 2 292.295 0.355 20 5 CCBDLO O=C(C[N@H+]1CCNC(=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000054257310 348546401 /nfs/dbraw/zinc/54/64/01/348546401.db2.gz VJVJKJTVCQESMQ-UHFFFAOYSA-N 1 2 292.295 0.355 20 5 CCBDLO C[C@](O)(CNc1ncccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000078343474 349135209 /nfs/dbraw/zinc/13/52/09/349135209.db2.gz LJBGVCIVVSEWTE-ZDUSSCGKSA-N 1 2 296.327 0.485 20 5 CCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncccc1[N+](=O)[O-] ZINC000081015252 349240633 /nfs/dbraw/zinc/24/06/33/349240633.db2.gz UZXPTLCEOBSPRZ-NSHDSACASA-N 1 2 296.327 0.119 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000091673985 180225477 /nfs/dbraw/zinc/22/54/77/180225477.db2.gz KVKIYRFBOFRSHB-VIFPVBQESA-N 1 2 253.262 0.127 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000091673985 180225478 /nfs/dbraw/zinc/22/54/78/180225478.db2.gz KVKIYRFBOFRSHB-VIFPVBQESA-N 1 2 253.262 0.127 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134489866 350365995 /nfs/dbraw/zinc/36/59/95/350365995.db2.gz OIMPTXGJHKQAHO-VIFPVBQESA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134489866 350366001 /nfs/dbraw/zinc/36/60/01/350366001.db2.gz OIMPTXGJHKQAHO-VIFPVBQESA-N 1 2 252.274 0.732 20 5 CCBDLO O=C(CCCn1cc[nH+]c1)NCCn1cc([N+](=O)[O-])cn1 ZINC000164407688 350778757 /nfs/dbraw/zinc/77/87/57/350778757.db2.gz YKAZWLPLQDUCPQ-UHFFFAOYSA-N 1 2 292.299 0.584 20 5 CCBDLO COc1cc(C[NH2+]C2(C(N)=O)CC2)c([N+](=O)[O-])cc1F ZINC000184329585 351408873 /nfs/dbraw/zinc/40/88/73/351408873.db2.gz FOIVTIDRYPNNFW-UHFFFAOYSA-N 1 2 283.259 0.850 20 5 CCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000186840429 351518103 /nfs/dbraw/zinc/51/81/03/351518103.db2.gz FIRZIWCDTJAESU-SECBINFHSA-N 1 2 299.352 0.795 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CSC[NH2+]1 ZINC000236583207 352199058 /nfs/dbraw/zinc/19/90/58/352199058.db2.gz DCCLFBRZWWMSEH-MRVPVSSYSA-N 1 2 269.282 0.901 20 5 CCBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000269278810 352831459 /nfs/dbraw/zinc/83/14/59/352831459.db2.gz KGWGZPKLJMMLKA-LLVKDONJSA-N 1 2 278.312 0.901 20 5 CCBDLO Cn1ccnc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000270965260 353008595 /nfs/dbraw/zinc/00/85/95/353008595.db2.gz BESLLPCDMAABTM-UHFFFAOYSA-N 1 2 264.289 0.657 20 5 CCBDLO Cn1ccnc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000270965260 353008597 /nfs/dbraw/zinc/00/85/97/353008597.db2.gz BESLLPCDMAABTM-UHFFFAOYSA-N 1 2 264.289 0.657 20 5 CCBDLO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@]1=O ZINC000277340353 353238463 /nfs/dbraw/zinc/23/84/63/353238463.db2.gz WBNOWBDQCPCWDL-GIGQVBGESA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@]1=O ZINC000277340353 353238465 /nfs/dbraw/zinc/23/84/65/353238465.db2.gz 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ZINC000352813302 356087083 /nfs/dbraw/zinc/08/70/83/356087083.db2.gz AZGGMIRXMVBWRV-NEPJUHHUSA-N 1 2 270.260 0.925 20 5 CCBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604460 363584303 /nfs/dbraw/zinc/58/43/03/363584303.db2.gz TXMYBJVCNFBBLN-BETUJISGSA-N 1 2 296.323 0.921 20 5 CCBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604460 363584307 /nfs/dbraw/zinc/58/43/07/363584307.db2.gz TXMYBJVCNFBBLN-BETUJISGSA-N 1 2 296.323 0.921 20 5 CCBDLO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](CCO)CC1 ZINC000400236301 357793077 /nfs/dbraw/zinc/79/30/77/357793077.db2.gz BGKAVBVMIIEOJF-UHFFFAOYSA-N 1 2 270.264 0.243 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C)CC2)n1 ZINC000408206785 357970269 /nfs/dbraw/zinc/97/02/69/357970269.db2.gz DRMCAXLVBRIPGZ-UHFFFAOYSA-N 1 2 267.289 0.199 20 5 CCBDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593065794 360026709 /nfs/dbraw/zinc/02/67/09/360026709.db2.gz CZRPADWLGLEADD-ZYHUDNBSSA-N 1 2 282.296 0.882 20 5 CCBDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593065794 360026712 /nfs/dbraw/zinc/02/67/12/360026712.db2.gz CZRPADWLGLEADD-ZYHUDNBSSA-N 1 2 282.296 0.882 20 5 CCBDLO C[NH+](C)CC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000593907103 360204634 /nfs/dbraw/zinc/20/46/34/360204634.db2.gz LVKALFDRZIGHKZ-SECBINFHSA-N 1 2 282.300 0.518 20 5 CCBDLO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595520327 360560424 /nfs/dbraw/zinc/56/04/24/360560424.db2.gz KAJBYYYKVRZRQC-VXGBXAGGSA-N 1 2 270.260 0.925 20 5 CCBDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595520327 360560427 /nfs/dbraw/zinc/56/04/27/360560427.db2.gz KAJBYYYKVRZRQC-VXGBXAGGSA-N 1 2 270.260 0.925 20 5 CCBDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595560730 360579682 /nfs/dbraw/zinc/57/96/82/360579682.db2.gz XSINPQTWSPMKPP-RKDXNWHRSA-N 1 2 271.273 0.473 20 5 CCBDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595560730 360579688 /nfs/dbraw/zinc/57/96/88/360579688.db2.gz XSINPQTWSPMKPP-RKDXNWHRSA-N 1 2 271.273 0.473 20 5 CCBDLO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[NH2+]C1 ZINC000595992070 360765849 /nfs/dbraw/zinc/76/58/49/360765849.db2.gz NRXNTGFOVPOYKL-GFCCVEGCSA-N 1 2 265.269 0.782 20 5 CCBDLO CN(CC[NH+]1CCOCC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596103869 360795240 /nfs/dbraw/zinc/79/52/40/360795240.db2.gz HUCCBKQRPFSMKW-UHFFFAOYSA-N 1 2 282.300 0.464 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596248476 360851974 /nfs/dbraw/zinc/85/19/74/360851974.db2.gz YCSRDZNIUBGXCZ-NSHDSACASA-N 1 2 295.343 0.629 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1[nH+]ccn1C ZINC000596542445 360918336 /nfs/dbraw/zinc/91/83/36/360918336.db2.gz IFNFTBWOVZCAJE-ZCFIWIBFSA-N 1 2 263.261 0.704 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000596434375 360894138 /nfs/dbraw/zinc/89/41/38/360894138.db2.gz XMGZUXULTDTWTR-MNOVXSKESA-N 1 2 280.328 0.933 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000596434375 360894142 /nfs/dbraw/zinc/89/41/42/360894142.db2.gz XMGZUXULTDTWTR-MNOVXSKESA-N 1 2 280.328 0.933 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460157 361423355 /nfs/dbraw/zinc/42/33/55/361423355.db2.gz RCHGMCFUDPLWOS-MRVPVSSYSA-N 1 2 292.299 0.711 20 5 CCBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@H](CO)[C@H](O)C1 ZINC000599087840 361569783 /nfs/dbraw/zinc/56/97/83/361569783.db2.gz MNWVUUBGULNBII-ZWNOBZJWSA-N 1 2 289.291 0.932 20 5 CCBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cc(F)c2=O)CCO1 ZINC000574637799 335035911 /nfs/dbraw/zinc/03/59/11/335035911.db2.gz QVPCOULBEBJFER-SECBINFHSA-N 1 2 285.275 0.616 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cc(F)c2=O)CCO1 ZINC000574637799 335035912 /nfs/dbraw/zinc/03/59/12/335035912.db2.gz QVPCOULBEBJFER-SECBINFHSA-N 1 2 285.275 0.616 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]ccn2C)n1 ZINC000427126025 249016683 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CCBDLO Cc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000154058411 389309325 /nfs/dbraw/zinc/30/93/25/389309325.db2.gz GFDOEJYQCPCDAR-LBPRGKRZSA-N 1 2 296.323 0.975 20 5 CCBDLO Cn1c[nH+]cc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000349779912 389433435 /nfs/dbraw/zinc/43/34/35/389433435.db2.gz AZJPEJOUELTYGU-UHFFFAOYSA-N 1 2 296.308 0.807 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)CC1 ZINC000373777379 389515238 /nfs/dbraw/zinc/51/52/38/389515238.db2.gz LIPPJPCFASKMFH-UHFFFAOYSA-N 1 2 279.296 0.925 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)CC1 ZINC000373777379 389515242 /nfs/dbraw/zinc/51/52/42/389515242.db2.gz LIPPJPCFASKMFH-UHFFFAOYSA-N 1 2 279.296 0.925 20 5 CCBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000351966263 389727111 /nfs/dbraw/zinc/72/71/11/389727111.db2.gz YDBNDIHEAVTEAT-UHFFFAOYSA-N 1 2 263.213 0.974 20 5 CCBDLO C[N@@H+](Cc1ccon1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441445080 389833444 /nfs/dbraw/zinc/83/34/44/389833444.db2.gz VKSJUPZACCTUHT-NSHDSACASA-N 1 2 281.272 0.272 20 5 CCBDLO C[N@H+](Cc1ccon1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441445080 389833445 /nfs/dbraw/zinc/83/34/45/389833445.db2.gz VKSJUPZACCTUHT-NSHDSACASA-N 1 2 281.272 0.272 20 5 CCBDLO CC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000442796459 389863051 /nfs/dbraw/zinc/86/30/51/389863051.db2.gz SWRGUSWBAXAIJO-LURJTMIESA-N 1 2 264.245 0.922 20 5 CCBDLO CN(C)C(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000555360133 390453940 /nfs/dbraw/zinc/45/39/40/390453940.db2.gz DCCZZXGYBCSMAU-UHFFFAOYSA-N 1 2 296.331 0.091 20 5 CCBDLO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262229013 131203119 /nfs/dbraw/zinc/20/31/19/131203119.db2.gz QCWXELQCUOZXKM-VIFPVBQESA-N 1 2 265.269 0.864 20 5 CCBDLO Cc1nc(NC[C@@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000269456307 132173252 /nfs/dbraw/zinc/17/32/52/132173252.db2.gz FXUBSXSPJMOADU-LLVKDONJSA-N 1 2 277.328 0.710 20 5 CCBDLO Cc1ccc(N2CCC[N@H+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000372227994 292130249 /nfs/dbraw/zinc/13/02/49/292130249.db2.gz INJIFULGNAACLF-UHFFFAOYSA-N 1 2 292.339 0.901 20 5 CCBDLO Cc1ccc(N2CCC[N@@H+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000372227994 292130251 /nfs/dbraw/zinc/13/02/51/292130251.db2.gz INJIFULGNAACLF-UHFFFAOYSA-N 1 2 292.339 0.901 20 5 CCBDLO C[C@@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000285625524 196347212 /nfs/dbraw/zinc/34/72/12/196347212.db2.gz DUUQBEDAJFRGCQ-SSDOTTSWSA-N 1 2 253.258 0.768 20 5 CCBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](CCO)CC1 ZINC000129802492 280358863 /nfs/dbraw/zinc/35/88/63/280358863.db2.gz XWXRGCUYQWZCPW-UHFFFAOYSA-N 1 2 286.719 0.758 20 5 CCBDLO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000131164264 281168911 /nfs/dbraw/zinc/16/89/11/281168911.db2.gz BHXWYLBTJJUWRJ-LBPRGKRZSA-N 1 2 281.312 0.867 20 5 CCBDLO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000131164264 281168915 /nfs/dbraw/zinc/16/89/15/281168915.db2.gz BHXWYLBTJJUWRJ-LBPRGKRZSA-N 1 2 281.312 0.867 20 5 CCBDLO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262002018 300322377 /nfs/dbraw/zinc/32/23/77/300322377.db2.gz PWKMAPRHAVCTDF-QMMMGPOBSA-N 1 2 265.269 0.734 20 5 CCBDLO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000449709353 303797114 /nfs/dbraw/zinc/79/71/14/303797114.db2.gz IORYCJDPUKGYSH-JTQLQIEISA-N 1 2 295.295 0.409 20 5 CCBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000582959889 329290037 /nfs/dbraw/zinc/29/00/37/329290037.db2.gz QOTVWIBHRXVISI-NSHDSACASA-N 1 2 292.295 0.847 20 5 CCBDLO COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000576634760 335228329 /nfs/dbraw/zinc/22/83/29/335228329.db2.gz GCVMSWLBUWSIBF-ZETCQYMHSA-N 1 2 283.240 0.129 20 5 CCBDLO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH+]1CCOCC1 ZINC000192559093 335278413 /nfs/dbraw/zinc/27/84/13/335278413.db2.gz SOKUOBOJHGBOJI-UHFFFAOYSA-N 1 2 297.359 0.888 20 5 CCBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])[nH]1 ZINC000456201433 534343283 /nfs/dbraw/zinc/34/32/83/534343283.db2.gz CDKNOPQRDPEBJY-AOOOYVTPSA-N 1 2 294.311 0.516 20 5 CCBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])[nH]1 ZINC000456201433 534343292 /nfs/dbraw/zinc/34/32/92/534343292.db2.gz CDKNOPQRDPEBJY-AOOOYVTPSA-N 1 2 294.311 0.516 20 5 CCBDLO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000183648693 527458170 /nfs/dbraw/zinc/45/81/70/527458170.db2.gz AOOLQSVXMWBQSX-UHFFFAOYSA-N 1 2 295.299 0.132 20 5 CCBDLO Cc1nn(CN(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000788379643 581108864 /nfs/dbraw/zinc/10/88/64/581108864.db2.gz WRILAAOHWLDXGZ-LLVKDONJSA-N 1 2 297.359 0.710 20 5 CCBDLO Cc1nn(C[N@@H+](C)[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000788379643 581108867 /nfs/dbraw/zinc/10/88/67/581108867.db2.gz WRILAAOHWLDXGZ-LLVKDONJSA-N 1 2 297.359 0.710 20 5 CCBDLO Cc1nn(C[N@H+](C)[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000788379643 581108870 /nfs/dbraw/zinc/10/88/70/581108870.db2.gz WRILAAOHWLDXGZ-LLVKDONJSA-N 1 2 297.359 0.710 20 5 CCBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000790460332 581188076 /nfs/dbraw/zinc/18/80/76/581188076.db2.gz OCTXTVNZSJYIIP-JTQLQIEISA-N 1 2 279.300 0.446 20 5 CCBDLO O=C1CCCN1[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000790460332 581188078 /nfs/dbraw/zinc/18/80/78/581188078.db2.gz OCTXTVNZSJYIIP-JTQLQIEISA-N 1 2 279.300 0.446 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792083443 581247157 /nfs/dbraw/zinc/24/71/57/581247157.db2.gz FAWQESXBFJDYTO-UHFFFAOYSA-N 1 2 277.240 0.663 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000792092170 581247993 /nfs/dbraw/zinc/24/79/93/581247993.db2.gz XEKCTHACPIHFIJ-UHFFFAOYSA-N 1 2 277.240 0.663 20 5 CCBDLO CO[C@@H]1C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000792710091 581268743 /nfs/dbraw/zinc/26/87/43/581268743.db2.gz MYYHLDQKKJKSLQ-PHIMTYICSA-N 1 2 284.316 0.711 20 5 CCBDLO CO[C@@H]1C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000792710091 581268745 /nfs/dbraw/zinc/26/87/45/581268745.db2.gz MYYHLDQKKJKSLQ-PHIMTYICSA-N 1 2 284.316 0.711 20 5 CCBDLO C[S@@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000771144794 581793650 /nfs/dbraw/zinc/79/36/50/581793650.db2.gz IIBAYWYRUVMBPR-HXUWFJFHSA-N 1 2 298.368 0.490 20 5 CCBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587011 582082197 /nfs/dbraw/zinc/08/21/97/582082197.db2.gz RVGCLVVOBWFSGZ-DDTOSNHZSA-N 1 2 296.323 0.710 20 5 CCBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587011 582082198 /nfs/dbraw/zinc/08/21/98/582082198.db2.gz RVGCLVVOBWFSGZ-DDTOSNHZSA-N 1 2 296.323 0.710 20 5 CCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2onc(C)c2[N+](=O)[O-])C1 ZINC000853901050 615186430 /nfs/dbraw/zinc/18/64/30/615186430.db2.gz PTILCOXMELRSNX-VIFPVBQESA-N 1 2 299.283 0.655 20 5 CCBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2onc(C)c2[N+](=O)[O-])C1 ZINC000853901050 615186431 /nfs/dbraw/zinc/18/64/31/615186431.db2.gz PTILCOXMELRSNX-VIFPVBQESA-N 1 2 299.283 0.655 20 5 CCBDLO NC(=O)CC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000066080228 623416954 /nfs/dbraw/zinc/41/69/54/623416954.db2.gz YTJPNJITLTVXFH-JTQLQIEISA-N 1 2 281.316 0.726 20 5 CCBDLO NC(=O)CC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000066080228 623416964 /nfs/dbraw/zinc/41/69/64/623416964.db2.gz YTJPNJITLTVXFH-JTQLQIEISA-N 1 2 281.316 0.726 20 5 CCBDLO C[C@@H]1C[N@H+](CCOC(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000800140497 632973826 /nfs/dbraw/zinc/97/38/26/632973826.db2.gz DGYNRAFUGLXLBH-SNVBAGLBSA-N 1 2 298.299 0.055 20 5 CCBDLO C[C@@H]1C[N@@H+](CCOC(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000800140497 632973833 /nfs/dbraw/zinc/97/38/33/632973833.db2.gz DGYNRAFUGLXLBH-SNVBAGLBSA-N 1 2 298.299 0.055 20 5 CCBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000801590716 640661210 /nfs/dbraw/zinc/66/12/10/640661210.db2.gz XDDQFEOEKIVMKU-HZSPNIEDSA-N 1 2 294.307 0.728 20 5 CCBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000801590716 640661219 /nfs/dbraw/zinc/66/12/19/640661219.db2.gz XDDQFEOEKIVMKU-HZSPNIEDSA-N 1 2 294.307 0.728 20 5 CCBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](CCO)CC1 ZINC000804319337 640763763 /nfs/dbraw/zinc/76/37/63/640763763.db2.gz ONEZNCINQBXCPO-UHFFFAOYSA-N 1 2 296.283 0.617 20 5 CCBDLO CC(C)(C)OC1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000871991767 646204981 /nfs/dbraw/zinc/20/49/81/646204981.db2.gz JFAFKPQWCZNMEI-NSHDSACASA-N 1 2 298.343 0.652 20 5 CCBDLO C[C@H]1C[N@H+](CCOC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000800127627 647627582 /nfs/dbraw/zinc/62/75/82/647627582.db2.gz WAWSQIDJTRLXKL-JTQLQIEISA-N 1 2 298.299 0.055 20 5 CCBDLO C[C@H]1C[N@@H+](CCOC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000800127627 647627585 /nfs/dbraw/zinc/62/75/85/647627585.db2.gz WAWSQIDJTRLXKL-JTQLQIEISA-N 1 2 298.299 0.055 20 5 CCBDLO O=[N+]([O-])CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000930452362 648862682 /nfs/dbraw/zinc/86/26/82/648862682.db2.gz IBFUTLLGEXFLJX-JGVFFNPUSA-N 1 2 256.224 0.756 20 5 CCBDLO O=[N+]([O-])CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000930452362 648862686 /nfs/dbraw/zinc/86/26/86/648862686.db2.gz IBFUTLLGEXFLJX-JGVFFNPUSA-N 1 2 256.224 0.756 20 5 CCBDLO Nc1cc(CNc2c(F)c([N+](=O)[O-])cc[n+]2[O-])cc[nH+]1 ZINC001167615060 791633629 /nfs/dbraw/zinc/63/36/29/791633629.db2.gz XLIIAINEHBEYOM-UHFFFAOYSA-N 1 2 279.231 0.957 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC001161556233 802180165 /nfs/dbraw/zinc/18/01/65/802180165.db2.gz GZIZZVIZWZWQLD-VIFPVBQESA-N 1 2 299.306 0.790 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC001161556233 802180160 /nfs/dbraw/zinc/18/01/60/802180160.db2.gz GZIZZVIZWZWQLD-VIFPVBQESA-N 1 2 299.306 0.790 20 5 CCBDLO COc1cc(NC[C@@H]2C[N@H+](C)CCO2)cnc1[N+](=O)[O-] ZINC001162689809 802397636 /nfs/dbraw/zinc/39/76/36/802397636.db2.gz PIZUOUJXBFFQGA-SNVBAGLBSA-N 1 2 282.300 0.741 20 5 CCBDLO COc1cc(NC[C@@H]2C[N@@H+](C)CCO2)cnc1[N+](=O)[O-] ZINC001162689809 802397644 /nfs/dbraw/zinc/39/76/44/802397644.db2.gz PIZUOUJXBFFQGA-SNVBAGLBSA-N 1 2 282.300 0.741 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@@H](CO)C1)C2 ZINC001254595038 808264222 /nfs/dbraw/zinc/26/42/22/808264222.db2.gz VDZOFVFODAOWRC-UONOGXRCSA-N 1 2 278.308 0.755 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCO[C@@H](CO)C1)C2 ZINC001254595038 808264227 /nfs/dbraw/zinc/26/42/27/808264227.db2.gz VDZOFVFODAOWRC-UONOGXRCSA-N 1 2 278.308 0.755 20 5 CCBDLO C[C@H]1C(=O)NCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597574 808266040 /nfs/dbraw/zinc/26/60/40/808266040.db2.gz FKQJOLRFYWAAAY-TVQRCGJNSA-N 1 2 275.308 0.882 20 5 CCBDLO C[C@H]1C(=O)NCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597574 808266044 /nfs/dbraw/zinc/26/60/44/808266044.db2.gz FKQJOLRFYWAAAY-TVQRCGJNSA-N 1 2 275.308 0.882 20 5 CCBDLO CCN(CC[NH2+]Cc1cnns1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268449971 812578414 /nfs/dbraw/zinc/57/84/14/812578414.db2.gz MAFJVTBLQKYUNN-NXEZZACHSA-N 1 2 299.356 0.141 20 5 CCBDLO CN(CC[N@H+](C)C/C=C/Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013974 814717213 /nfs/dbraw/zinc/71/72/13/814717213.db2.gz TZSNPAZIHBZSBT-HIHHVFROSA-N 1 2 275.736 0.794 20 5 CCBDLO CN(CC[N@@H+](C)C/C=C/Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013974 814717217 /nfs/dbraw/zinc/71/72/17/814717217.db2.gz TZSNPAZIHBZSBT-HIHHVFROSA-N 1 2 275.736 0.794 20 5 CCBDLO COc1cccc(-n2[nH]c(=O)nc2C[NH3+])c1[N+](=O)[O-] ZINC001168760654 819743812 /nfs/dbraw/zinc/74/38/12/819743812.db2.gz DEQUFHAYRUDDCT-UHFFFAOYSA-N 1 2 265.229 0.348 20 5 CCBDLO O=C(NC12CC[NH+](CC1)C2)c1cc(O)ccc1[N+](=O)[O-] ZINC000715558361 841372055 /nfs/dbraw/zinc/37/20/55/841372055.db2.gz PMTKSTYZACJDTR-UHFFFAOYSA-N 1 2 277.280 0.878 20 5 CCBDLO CNC(=O)NC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001195154529 846476231 /nfs/dbraw/zinc/47/62/31/846476231.db2.gz HIXMDKZROYHZNS-UHFFFAOYSA-N 1 2 293.327 0.883 20 5 CCBDLO Cn1c[nH+]c(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC001299094933 907385430 /nfs/dbraw/zinc/38/54/30/907385430.db2.gz VABOMVRUXXCRCZ-UHFFFAOYSA-N 1 2 264.245 0.024 20 5 CCBDLO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1Cc2c[nH+]cn2C1 ZINC001310449852 908499195 /nfs/dbraw/zinc/49/91/95/908499195.db2.gz ZXEKRGFOUGSGRP-QMMMGPOBSA-N 1 2 288.267 0.355 20 5 CCBDLO Cc1nn(C)c(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC001319873087 910326663 /nfs/dbraw/zinc/32/66/63/910326663.db2.gz GNZXONZNXSLDNL-MRVPVSSYSA-N 1 2 292.299 0.652 20 5 CCBDLO CCN(CC[NH2+]Cc1ccn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320734395 910830779 /nfs/dbraw/zinc/83/07/79/910830779.db2.gz IZAUKQGEJUURKJ-VXGBXAGGSA-N 1 2 295.343 0.023 20 5 CCBDLO Cn1c[nH+]cc1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001321760078 911477381 /nfs/dbraw/zinc/47/73/81/911477381.db2.gz JKBXCLBEJUPPLN-UHFFFAOYSA-N 1 2 264.245 0.024 20 5 CCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001323224655 912198152 /nfs/dbraw/zinc/19/81/52/912198152.db2.gz OLBYWZAZFOOPJP-MRVPVSSYSA-N 1 2 278.272 0.343 20 5 CCBDLO O=c1[nH]ccc(N2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC001328025985 914930510 /nfs/dbraw/zinc/93/05/10/914930510.db2.gz HHBPBZDDEUKRME-UHFFFAOYSA-N 1 2 261.241 0.981 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC001331477713 917363519 /nfs/dbraw/zinc/36/35/19/917363519.db2.gz DTGHAWCSLNEPDJ-SSDOTTSWSA-N 1 2 276.256 0.400 20 5 CCBDLO C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592951890 980043134 /nfs/dbraw/zinc/04/31/34/980043134.db2.gz NEIFOXKKVKVYMO-RKDXNWHRSA-N 1 2 297.311 0.884 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000599643128 361769645 /nfs/dbraw/zinc/76/96/45/361769645.db2.gz QTFROLXBUISLPI-GFCCVEGCSA-N 1 2 299.302 0.817 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](CCF)C1 ZINC000599643128 361769650 /nfs/dbraw/zinc/76/96/50/361769650.db2.gz QTFROLXBUISLPI-GFCCVEGCSA-N 1 2 299.302 0.817 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000094268081 349565027 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CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174817006 351104853 /nfs/dbraw/zinc/10/48/53/351104853.db2.gz NUCFYXKVOOGZFK-LLVKDONJSA-N 1 2 254.290 0.902 20 5 CCBDLO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000174817006 351104854 /nfs/dbraw/zinc/10/48/54/351104854.db2.gz NUCFYXKVOOGZFK-LLVKDONJSA-N 1 2 254.290 0.902 20 5 CCBDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174844831 351107006 /nfs/dbraw/zinc/10/70/06/351107006.db2.gz QFZFJCHQYOIGBT-NSHDSACASA-N 1 2 281.316 0.248 20 5 CCBDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174844831 351107009 /nfs/dbraw/zinc/10/70/09/351107009.db2.gz QFZFJCHQYOIGBT-NSHDSACASA-N 1 2 281.316 0.248 20 5 CCBDLO COCC[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190310092 351717589 /nfs/dbraw/zinc/71/75/89/351717589.db2.gz JABQYOSSPICABY-UHFFFAOYSA-N 1 2 272.330 0.820 20 5 CCBDLO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000225343373 352002040 /nfs/dbraw/zinc/00/20/40/352002040.db2.gz 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HLIRMOPRVHDJIT-UHFFFAOYSA-N 1 2 295.343 0.652 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000602787089 362800210 /nfs/dbraw/zinc/80/02/10/362800210.db2.gz HLIRMOPRVHDJIT-UHFFFAOYSA-N 1 2 295.343 0.652 20 5 CCBDLO Cn1cc(C[N@@H+]2CCOC[C@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000602799505 362807982 /nfs/dbraw/zinc/80/79/82/362807982.db2.gz PWBQPPJJPYBMAL-NSHDSACASA-N 1 2 266.301 0.939 20 5 CCBDLO Cn1cc(C[N@H+]2CCOC[C@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000602799505 362807987 /nfs/dbraw/zinc/80/79/87/362807987.db2.gz PWBQPPJJPYBMAL-NSHDSACASA-N 1 2 266.301 0.939 20 5 CCBDLO COC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000123813295 350083869 /nfs/dbraw/zinc/08/38/69/350083869.db2.gz YEFIEOPMPPASBC-KOLCDFICSA-N 1 2 298.299 0.054 20 5 CCBDLO COC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000123813295 350083870 /nfs/dbraw/zinc/08/38/70/350083870.db2.gz YEFIEOPMPPASBC-KOLCDFICSA-N 1 2 298.299 0.054 20 5 CCBDLO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603085793 362955153 /nfs/dbraw/zinc/95/51/53/362955153.db2.gz CCTDMCLUZJSLMZ-NOZJJQNGSA-N 1 2 277.280 0.600 20 5 CCBDLO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603085793 362955157 /nfs/dbraw/zinc/95/51/57/362955157.db2.gz CCTDMCLUZJSLMZ-NOZJJQNGSA-N 1 2 277.280 0.600 20 5 CCBDLO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1[nH]cc[nH+]1 ZINC000140795333 350452671 /nfs/dbraw/zinc/45/26/71/350452671.db2.gz AXEGVQDMHAZCNE-SSDOTTSWSA-N 1 2 264.245 0.392 20 5 CCBDLO CN1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1=O ZINC000129826119 187456311 /nfs/dbraw/zinc/45/63/11/187456311.db2.gz LCLRNFAIWRXIJY-UHFFFAOYSA-N 1 2 281.316 0.344 20 5 CCBDLO CN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1=O ZINC000129826119 187456313 /nfs/dbraw/zinc/45/63/13/187456313.db2.gz LCLRNFAIWRXIJY-UHFFFAOYSA-N 1 2 281.316 0.344 20 5 CCBDLO C[C@@H]1C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000170791447 350861556 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O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC000246818648 352383897 /nfs/dbraw/zinc/38/38/97/352383897.db2.gz DKTPDYMFYHWINI-NEPJUHHUSA-N 1 2 296.327 0.671 20 5 CCBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332226732 354631120 /nfs/dbraw/zinc/63/11/20/354631120.db2.gz KTKJATNVHREROZ-OLZOCXBDSA-N 1 2 291.307 0.750 20 5 CCBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332226732 354631123 /nfs/dbraw/zinc/63/11/23/354631123.db2.gz KTKJATNVHREROZ-OLZOCXBDSA-N 1 2 291.307 0.750 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000332642273 354709241 /nfs/dbraw/zinc/70/92/41/354709241.db2.gz BCFUUWLVUYTSFA-SECBINFHSA-N 1 2 294.233 0.827 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000332642273 354709246 /nfs/dbraw/zinc/70/92/46/354709246.db2.gz BCFUUWLVUYTSFA-SECBINFHSA-N 1 2 294.233 0.827 20 5 CCBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cn1 ZINC000532139681 358497888 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COC[C@](C)(CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000610786980 363614950 /nfs/dbraw/zinc/61/49/50/363614950.db2.gz WWXYLRMCQREJMC-LBPRGKRZSA-N 1 2 270.285 0.787 20 5 CCBDLO Nc1ccc(NCCNc2cccc[nH+]2)nc1[N+](=O)[O-] ZINC000590569006 359487044 /nfs/dbraw/zinc/48/70/44/359487044.db2.gz GSQLXMOAHHSGGR-UHFFFAOYSA-N 1 2 274.284 0.913 20 5 CCBDLO COCC1(O)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000297387985 200172592 /nfs/dbraw/zinc/17/25/92/200172592.db2.gz KIAUWHOODJHZPF-UHFFFAOYSA-N 1 2 252.270 0.788 20 5 CCBDLO NC(=O)[C@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000563356524 291216502 /nfs/dbraw/zinc/21/65/02/291216502.db2.gz GVNWVPYSZKVNBE-LBPRGKRZSA-N 1 2 265.269 0.329 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855463 360177370 /nfs/dbraw/zinc/17/73/70/360177370.db2.gz REVBKAMIGLWUBX-SECBINFHSA-N 1 2 281.268 0.079 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855463 360177373 /nfs/dbraw/zinc/17/73/73/360177373.db2.gz REVBKAMIGLWUBX-SECBINFHSA-N 1 2 281.268 0.079 20 5 CCBDLO CNc1nccc(C(=O)NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000563377432 291219423 /nfs/dbraw/zinc/21/94/23/291219423.db2.gz POGYZSIJNQLUSF-UHFFFAOYSA-N 1 2 290.283 0.080 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000595538976 360572924 /nfs/dbraw/zinc/57/29/24/360572924.db2.gz CYEGVERUGWEXEA-MFKMUULPSA-N 1 2 284.287 0.909 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000595538976 360572926 /nfs/dbraw/zinc/57/29/26/360572926.db2.gz CYEGVERUGWEXEA-MFKMUULPSA-N 1 2 284.287 0.909 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595567143 360583713 /nfs/dbraw/zinc/58/37/13/360583713.db2.gz JSSOUYHEYXQGKD-BDAKNGLRSA-N 1 2 299.283 0.247 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595567143 360583718 /nfs/dbraw/zinc/58/37/18/360583718.db2.gz JSSOUYHEYXQGKD-BDAKNGLRSA-N 1 2 299.283 0.247 20 5 CCBDLO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1=O ZINC000595715216 360628195 /nfs/dbraw/zinc/62/81/95/360628195.db2.gz SQQDNNGJZNKWEK-NXEZZACHSA-N 1 2 266.301 0.948 20 5 CCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1csc([N+](=O)[O-])c1 ZINC000178606949 189130815 /nfs/dbraw/zinc/13/08/15/189130815.db2.gz GFDSNRIWVUNZKK-SNVBAGLBSA-N 1 2 296.352 0.386 20 5 CCBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000179075194 189166855 /nfs/dbraw/zinc/16/68/55/189166855.db2.gz XIVLRXBATACFMU-LLVKDONJSA-N 1 2 277.328 0.710 20 5 CCBDLO CNC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000182435546 189323198 /nfs/dbraw/zinc/32/31/98/189323198.db2.gz NILYHTNOBMPHHU-LBPRGKRZSA-N 1 2 279.296 0.542 20 5 CCBDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000182435546 189323199 /nfs/dbraw/zinc/32/31/99/189323199.db2.gz NILYHTNOBMPHHU-LBPRGKRZSA-N 1 2 279.296 0.542 20 5 CCBDLO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000598459078 361423139 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0.990 20 5 CCBDLO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000078534293 349142816 /nfs/dbraw/zinc/14/28/16/349142816.db2.gz FFVIGYXXVWBKJG-SNVBAGLBSA-N 1 2 281.312 0.917 20 5 CCBDLO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000078534293 349142819 /nfs/dbraw/zinc/14/28/19/349142819.db2.gz FFVIGYXXVWBKJG-SNVBAGLBSA-N 1 2 281.312 0.917 20 5 CCBDLO COc1cc[nH+]cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000131470156 350275668 /nfs/dbraw/zinc/27/56/68/350275668.db2.gz MNZAMMGMMVFUEL-UHFFFAOYSA-N 1 2 277.240 0.834 20 5 CCBDLO CN(C(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000603087721 362956061 /nfs/dbraw/zinc/95/60/61/362956061.db2.gz OJPCCYJVDNJHAN-HZMBPMFUSA-N 1 2 291.307 0.624 20 5 CCBDLO CN(C(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000603087721 362956068 /nfs/dbraw/zinc/95/60/68/362956068.db2.gz OJPCCYJVDNJHAN-HZMBPMFUSA-N 1 2 291.307 0.624 20 5 CCBDLO NC(=O)CC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189462507 351681966 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CCBDLO O=[N+]([O-])c1cnc2ccc(N3CCn4c[nH+]cc4C3)nn21 ZINC000377329257 285186207 /nfs/dbraw/zinc/18/62/07/285186207.db2.gz GGXFTWJGMCUDJF-UHFFFAOYSA-N 1 2 285.267 0.854 20 5 CCBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)cn1 ZINC000394686117 285216838 /nfs/dbraw/zinc/21/68/38/285216838.db2.gz GMRCRBVMIQCYJG-LLVKDONJSA-N 1 2 263.301 0.402 20 5 CCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000192692080 389048949 /nfs/dbraw/zinc/04/89/49/389048949.db2.gz QKPWFOASENKYNY-UHFFFAOYSA-N 1 2 296.308 0.770 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC[C@@H]1CCO ZINC000330950561 389261696 /nfs/dbraw/zinc/26/16/96/389261696.db2.gz DFGINEIDHBKAPX-VIFPVBQESA-N 1 2 286.357 0.628 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCSC[C@@H]1CCO ZINC000330950561 389261698 /nfs/dbraw/zinc/26/16/98/389261698.db2.gz DFGINEIDHBKAPX-VIFPVBQESA-N 1 2 286.357 0.628 20 5 CCBDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348289676 389372493 /nfs/dbraw/zinc/37/24/93/389372493.db2.gz 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C[C@@H](CN1CCOCC1)[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000788377929 581108991 /nfs/dbraw/zinc/10/89/91/581108991.db2.gz MTJOEJCLXKOQIX-NSHDSACASA-N 1 2 283.332 0.401 20 5 CCBDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000788377929 581108993 /nfs/dbraw/zinc/10/89/93/581108993.db2.gz MTJOEJCLXKOQIX-NSHDSACASA-N 1 2 283.332 0.401 20 5 CCBDLO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778259152 581147772 /nfs/dbraw/zinc/14/77/72/581147772.db2.gz BZIVTOVCCHBPDH-MFKMUULPSA-N 1 2 293.323 0.791 20 5 CCBDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778259152 581147774 /nfs/dbraw/zinc/14/77/74/581147774.db2.gz BZIVTOVCCHBPDH-MFKMUULPSA-N 1 2 293.323 0.791 20 5 CCBDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782583284 581309163 /nfs/dbraw/zinc/30/91/63/581309163.db2.gz CDAMWOQDVDDAOD-ZWNOBZJWSA-N 1 2 293.323 0.791 20 5 CCBDLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782583284 581309165 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CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000882767426 615259663 /nfs/dbraw/zinc/25/96/63/615259663.db2.gz NMBLRAUAMHCKPS-LLVKDONJSA-N 1 2 299.352 0.967 20 5 CCBDLO C[N@H+](CC(=O)OCCC[N+](=O)[O-])[C@@H]1CCSC1 ZINC000860921568 616050365 /nfs/dbraw/zinc/05/03/65/616050365.db2.gz UPEYIQRMSNANFM-SECBINFHSA-N 1 2 262.331 0.634 20 5 CCBDLO C[N@@H+](CC(=O)OCCC[N+](=O)[O-])[C@@H]1CCSC1 ZINC000860921568 616050366 /nfs/dbraw/zinc/05/03/66/616050366.db2.gz UPEYIQRMSNANFM-SECBINFHSA-N 1 2 262.331 0.634 20 5 CCBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CNOC1)OCCO2 ZINC000904421809 634748532 /nfs/dbraw/zinc/74/85/32/634748532.db2.gz SPHSRCQBVQTQFT-SECBINFHSA-N 1 2 281.268 0.359 20 5 CCBDLO O=C(C[NH2+]CC[N+](=O)[O-])N1CCCc2ccccc21 ZINC000905066076 634794778 /nfs/dbraw/zinc/79/47/78/634794778.db2.gz BRSJBDDZIZWSPX-UHFFFAOYSA-N 1 2 263.297 0.832 20 5 CCBDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC000912746641 636666632 /nfs/dbraw/zinc/66/66/32/636666632.db2.gz ONWYFCPUAHUTDF-CYBMUJFWSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC000912746641 636666634 /nfs/dbraw/zinc/66/66/34/636666634.db2.gz ONWYFCPUAHUTDF-CYBMUJFWSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000913556291 637170870 /nfs/dbraw/zinc/17/08/70/637170870.db2.gz WFBCLCSCPBBJHJ-LBPRGKRZSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000913556291 637170876 /nfs/dbraw/zinc/17/08/76/637170876.db2.gz WFBCLCSCPBBJHJ-LBPRGKRZSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913557029 637191144 /nfs/dbraw/zinc/19/11/44/637191144.db2.gz QSPVSIYHJROSBS-NSHDSACASA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913557029 637191150 /nfs/dbraw/zinc/19/11/50/637191150.db2.gz QSPVSIYHJROSBS-NSHDSACASA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913557028 637191450 /nfs/dbraw/zinc/19/14/50/637191450.db2.gz QSPVSIYHJROSBS-LLVKDONJSA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913557028 637191453 /nfs/dbraw/zinc/19/14/53/637191453.db2.gz QSPVSIYHJROSBS-LLVKDONJSA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921415078 638179802 /nfs/dbraw/zinc/17/98/02/638179802.db2.gz DEVPDGOOFYGBSU-NSHDSACASA-N 1 2 299.352 0.886 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921415078 638179806 /nfs/dbraw/zinc/17/98/06/638179806.db2.gz DEVPDGOOFYGBSU-NSHDSACASA-N 1 2 299.352 0.886 20 5 CCBDLO CC(=O)N(C)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001005012340 639864007 /nfs/dbraw/zinc/86/40/07/639864007.db2.gz VKYDZXOUAQHUQT-UHFFFAOYSA-N 1 2 295.343 0.771 20 5 CCBDLO Cn1cc[nH+]c1CCCOC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000802784223 640703562 /nfs/dbraw/zinc/70/35/62/640703562.db2.gz LETJVEOOTSAYIF-UHFFFAOYSA-N 1 2 294.271 0.096 20 5 CCBDLO C[C@]12COC[C@@H]1C[N@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000853566849 644122078 /nfs/dbraw/zinc/12/20/78/644122078.db2.gz SAFHQTKGDPFUBA-ONGXEEELSA-N 1 2 252.274 0.717 20 5 CCBDLO C[C@]12COC[C@@H]1C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000853566849 644122080 /nfs/dbraw/zinc/12/20/80/644122080.db2.gz SAFHQTKGDPFUBA-ONGXEEELSA-N 1 2 252.274 0.717 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000878195333 646880209 /nfs/dbraw/zinc/88/02/09/646880209.db2.gz PPIUGPUWIKPTNP-SNVBAGLBSA-N 1 2 295.299 0.236 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000878195333 646880212 /nfs/dbraw/zinc/88/02/12/646880212.db2.gz PPIUGPUWIKPTNP-SNVBAGLBSA-N 1 2 295.299 0.236 20 5 CCBDLO Cc1conc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696233 791151016 /nfs/dbraw/zinc/15/10/16/791151016.db2.gz APTSQCGEAVKUTB-MWLCHTKSSA-N 1 2 282.300 0.196 20 5 CCBDLO Nc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157582641 801427545 /nfs/dbraw/zinc/42/75/45/801427545.db2.gz IGXCDMFIFRTWTF-SECBINFHSA-N 1 2 293.327 0.847 20 5 CCBDLO Nc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157582641 801427547 /nfs/dbraw/zinc/42/75/47/801427547.db2.gz IGXCDMFIFRTWTF-SECBINFHSA-N 1 2 293.327 0.847 20 5 CCBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc([N+](=O)[O-])ccn1 ZINC001159292092 801785249 /nfs/dbraw/zinc/78/52/49/801785249.db2.gz CKBCZJZYQWKKNH-UHFFFAOYSA-N 1 2 263.257 0.691 20 5 CCBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001159300000 801787873 /nfs/dbraw/zinc/78/78/73/801787873.db2.gz KHQVWFFZQMYBMY-UHFFFAOYSA-N 1 2 278.272 0.273 20 5 CCBDLO COc1ccc([N+](=O)[O-])nc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162689127 802395317 /nfs/dbraw/zinc/39/53/17/802395317.db2.gz ZRKVENMXTFIKFR-SECBINFHSA-N 1 2 282.300 0.741 20 5 CCBDLO COc1ccc([N+](=O)[O-])nc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162689127 802395326 /nfs/dbraw/zinc/39/53/26/802395326.db2.gz ZRKVENMXTFIKFR-SECBINFHSA-N 1 2 282.300 0.741 20 5 CCBDLO Cc1nc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)s1 ZINC001126936768 815323252 /nfs/dbraw/zinc/32/32/52/815323252.db2.gz RFKQZQOZLHXCHG-MWLCHTKSSA-N 1 2 298.368 0.631 20 5 CCBDLO CCc1nc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001126942834 815352700 /nfs/dbraw/zinc/35/27/00/815352700.db2.gz IEJUDRIQIBJCAR-NXEZZACHSA-N 1 2 298.368 0.577 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1NC(=O)CCCn1cc[nH+]c1 ZINC001128321263 818184152 /nfs/dbraw/zinc/18/41/52/818184152.db2.gz MLFMWPKCNSEBNT-UHFFFAOYSA-N 1 2 278.272 0.944 20 5 CCBDLO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)O ZINC001168978293 836076439 /nfs/dbraw/zinc/07/64/39/836076439.db2.gz QXJCNSLRHSBOJH-CHWFTXMASA-N 1 2 274.317 0.334 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169652185 836406812 /nfs/dbraw/zinc/40/68/12/836406812.db2.gz FAZJEDBCKGMIMU-MRVPVSSYSA-N 1 2 292.299 0.560 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169652185 836406820 /nfs/dbraw/zinc/40/68/20/836406820.db2.gz FAZJEDBCKGMIMU-MRVPVSSYSA-N 1 2 292.299 0.560 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1CCc2c[nH+]cn2C1 ZINC001303573512 908096068 /nfs/dbraw/zinc/09/60/68/908096068.db2.gz PARDPBRTJQAHOA-ZETCQYMHSA-N 1 2 276.256 0.716 20 5 CCBDLO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccon1 ZINC001316891068 908816911 /nfs/dbraw/zinc/81/69/11/908816911.db2.gz UFLNANHCKANWBO-VXGBXAGGSA-N 1 2 296.327 0.668 20 5 CCBDLO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccon1 ZINC001316891068 908816925 /nfs/dbraw/zinc/81/69/25/908816925.db2.gz UFLNANHCKANWBO-VXGBXAGGSA-N 1 2 296.327 0.668 20 5 CCBDLO Cn1c[nH+]cc1Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001319243427 910052017 /nfs/dbraw/zinc/05/20/17/910052017.db2.gz HIOPKSDUTYMYAI-UHFFFAOYSA-N 1 2 279.212 0.447 20 5 CCBDLO NC(=O)[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000092734971 349503686 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Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600422074 361956983 /nfs/dbraw/zinc/95/69/83/361956983.db2.gz QRXYHPGEYPVCCR-LLVKDONJSA-N 1 2 293.323 0.964 20 5 CCBDLO O=[N+]([O-])c1ccccc1N[C@@H](CO)C[NH+]1CCOCC1 ZINC000601177533 362166974 /nfs/dbraw/zinc/16/69/74/362166974.db2.gz WIQUIPDJDYGXAU-LLVKDONJSA-N 1 2 281.312 0.700 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1N[C@H](CO)C[NH+]1CCOCC1 ZINC000601177653 362168076 /nfs/dbraw/zinc/16/80/76/362168076.db2.gz YPQVUJWDJJNSGV-NSHDSACASA-N 1 2 299.302 0.839 20 5 CCBDLO O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CC[NH2+]C2 ZINC000601931347 362428748 /nfs/dbraw/zinc/42/87/48/362428748.db2.gz INIVNUKRJDOUQZ-JTQLQIEISA-N 1 2 260.253 0.907 20 5 CCBDLO COC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000119191984 349923526 /nfs/dbraw/zinc/92/35/26/349923526.db2.gz AQRKMXACXYBCHQ-GFCCVEGCSA-N 1 2 297.311 0.544 20 5 CCBDLO CS(=O)(=O)NC1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602722950 362772534 /nfs/dbraw/zinc/77/25/34/362772534.db2.gz 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ZINC000074323726 348985210 /nfs/dbraw/zinc/98/52/10/348985210.db2.gz VZIILUVDTPUBLH-SNVBAGLBSA-N 1 2 295.295 0.609 20 5 CCBDLO COc1cc(C(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000076195442 349073418 /nfs/dbraw/zinc/07/34/18/349073418.db2.gz DTOSQUWCYNPMQN-UHFFFAOYSA-N 1 2 279.296 0.991 20 5 CCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000081015970 349239870 /nfs/dbraw/zinc/23/98/70/349239870.db2.gz PQYUYUAVNHPMDF-CQSZACIVSA-N 1 2 295.339 0.724 20 5 CCBDLO C[C@H]1C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000170791450 350861510 /nfs/dbraw/zinc/86/15/10/350861510.db2.gz ZIYQDDZUJWCJAB-JTQLQIEISA-N 1 2 263.297 0.958 20 5 CCBDLO C[C@H]1C(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000170791450 350861513 /nfs/dbraw/zinc/86/15/13/350861513.db2.gz ZIYQDDZUJWCJAB-JTQLQIEISA-N 1 2 263.297 0.958 20 5 CCBDLO C[N@H+](CCO)Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603185927 362988498 /nfs/dbraw/zinc/98/84/98/362988498.db2.gz FGXQSQNWFTWFOI-UHFFFAOYSA-N 1 2 291.311 0.659 20 5 CCBDLO 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0.474 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000599160440 361592585 /nfs/dbraw/zinc/59/25/85/361592585.db2.gz JGWYFNLMUGTHAW-MRVPVSSYSA-N 1 2 268.273 0.438 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000599160440 361592587 /nfs/dbraw/zinc/59/25/87/361592587.db2.gz JGWYFNLMUGTHAW-MRVPVSSYSA-N 1 2 268.273 0.438 20 5 CCBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1COCC[N@@H+]1C ZINC000599160943 361593036 /nfs/dbraw/zinc/59/30/36/361593036.db2.gz MFRLDRBIQUFUHX-SNVBAGLBSA-N 1 2 283.332 0.862 20 5 CCBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1COCC[N@H+]1C ZINC000599160943 361593037 /nfs/dbraw/zinc/59/30/37/361593037.db2.gz MFRLDRBIQUFUHX-SNVBAGLBSA-N 1 2 283.332 0.862 20 5 CCBDLO CC[N@H+](CC(N)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000616152275 365195382 /nfs/dbraw/zinc/19/53/82/365195382.db2.gz HGLYXIINHMTSJR-UHFFFAOYSA-N 1 2 295.295 0.673 20 5 CCBDLO CC[N@@H+](CC(N)=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000616152275 365195385 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C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000518775037 249260232 /nfs/dbraw/zinc/26/02/32/249260232.db2.gz LRRDRNATXFYLCS-SNVBAGLBSA-N 1 2 296.327 0.384 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000278903840 194203682 /nfs/dbraw/zinc/20/36/82/194203682.db2.gz RDBSEHFFEXQYTP-SECBINFHSA-N 1 2 296.331 0.124 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000154068716 389310305 /nfs/dbraw/zinc/31/03/05/389310305.db2.gz XGUVBYXDEXHVJZ-ZDUSSCGKSA-N 1 2 296.323 0.975 20 5 CCBDLO CC1=CC[N@H+](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000347239600 389349268 /nfs/dbraw/zinc/34/92/68/389349268.db2.gz DSWWLQSDUABNCK-UHFFFAOYSA-N 1 2 279.300 0.700 20 5 CCBDLO CC1=CC[N@@H+](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000347239600 389349272 /nfs/dbraw/zinc/34/92/72/389349272.db2.gz DSWWLQSDUABNCK-UHFFFAOYSA-N 1 2 279.300 0.700 20 5 CCBDLO Cc1[nH+]ccn1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270681124 389435194 /nfs/dbraw/zinc/43/51/94/389435194.db2.gz 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C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000371369728 277212388 /nfs/dbraw/zinc/21/23/88/277212388.db2.gz KONOERJBNMGPQC-JHJVBQTASA-N 1 2 275.308 0.955 20 5 CCBDLO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CCO)CC1 ZINC000579888939 335916352 /nfs/dbraw/zinc/91/63/52/335916352.db2.gz VOFXOHXDQQXMQO-UHFFFAOYSA-N 1 2 281.312 0.718 20 5 CCBDLO CCOC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373239994 535673780 /nfs/dbraw/zinc/67/37/80/535673780.db2.gz FYMNRCKGIVSANR-UHFFFAOYSA-N 1 2 282.300 0.991 20 5 CCBDLO C[C@]([NH2+]CC[N+](=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000791054625 581206535 /nfs/dbraw/zinc/20/65/35/581206535.db2.gz MFTCXJWTRMSWIO-LLVKDONJSA-N 1 2 271.704 0.907 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)OCc2c[nH+]cn2C)n1 ZINC000780400567 581227209 /nfs/dbraw/zinc/22/72/09/581227209.db2.gz KZAKBENGBHPMFV-UHFFFAOYSA-N 1 2 265.229 0.419 20 5 CCBDLO CCc1[nH]nc(C(=O)OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000795616612 581415260 /nfs/dbraw/zinc/41/52/60/581415260.db2.gz 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CNC(=O)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578650 582079371 /nfs/dbraw/zinc/07/93/71/582079371.db2.gz IAWWHKQTPFEQIX-LLVKDONJSA-N 1 2 267.285 0.306 20 5 CCBDLO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCO)CC1 ZINC000891434372 617218020 /nfs/dbraw/zinc/21/80/20/617218020.db2.gz RLBGEWURCZYNTQ-UHFFFAOYSA-N 1 2 282.300 0.113 20 5 CCBDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000839690812 614096238 /nfs/dbraw/zinc/09/62/38/614096238.db2.gz HPEOMGAACTUCTB-JHJVBQTASA-N 1 2 298.387 0.040 20 5 CCBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000882764729 615326508 /nfs/dbraw/zinc/32/65/08/615326508.db2.gz CQCXBTNYSHBRGY-JTQLQIEISA-N 1 2 299.352 0.967 20 5 CCBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000882764729 615326510 /nfs/dbraw/zinc/32/65/10/615326510.db2.gz CQCXBTNYSHBRGY-JTQLQIEISA-N 1 2 299.352 0.967 20 5 CCBDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000877559339 615997135 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O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@]1(F)CC[NH2+]C1 ZINC000843488211 643074590 /nfs/dbraw/zinc/07/45/90/643074590.db2.gz UHRDGVYWUVNDHS-NSHDSACASA-N 1 2 269.232 0.941 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157933760 801530181 /nfs/dbraw/zinc/53/01/81/801530181.db2.gz JMCPCDBNQNNSGX-UHFFFAOYSA-N 1 2 286.251 0.888 20 5 CCBDLO COc1ncc([N+](=O)[O-])cc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162687462 802394234 /nfs/dbraw/zinc/39/42/34/802394234.db2.gz CVMNCFBNBPOLDA-JTQLQIEISA-N 1 2 282.300 0.741 20 5 CCBDLO COc1ncc([N+](=O)[O-])cc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162687462 802394240 /nfs/dbraw/zinc/39/42/40/802394240.db2.gz CVMNCFBNBPOLDA-JTQLQIEISA-N 1 2 282.300 0.741 20 5 CCBDLO CC(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936834 815323285 /nfs/dbraw/zinc/32/32/85/815323285.db2.gz TZDSOQDSAUBXSR-RKDXNWHRSA-N 1 2 297.315 0.064 20 5 CCBDLO CC(=O)NC1(C)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001045338298 819058872 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O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCn2cc[nH+]c2C1 ZINC001325905702 913633439 /nfs/dbraw/zinc/63/34/39/913633439.db2.gz ZZGKQBNIAUYZQL-VIFPVBQESA-N 1 2 290.283 0.119 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC001307121909 906191952 /nfs/dbraw/zinc/19/19/52/906191952.db2.gz DUXOCNGWGIHUAS-LLVKDONJSA-N 1 2 295.343 0.629 20 5 CCBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000599542013 361733966 /nfs/dbraw/zinc/73/39/66/361733966.db2.gz WXFYMRPJUREBEE-AXTRIDKLSA-N 1 2 279.296 0.576 20 5 CCBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000599542013 361733968 /nfs/dbraw/zinc/73/39/68/361733968.db2.gz WXFYMRPJUREBEE-AXTRIDKLSA-N 1 2 279.296 0.576 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](CCF)C2)n1 ZINC000599643122 361769438 /nfs/dbraw/zinc/76/94/38/361769438.db2.gz QQEIFIQEZWBKGH-SNVBAGLBSA-N 1 2 272.280 0.852 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](CCF)C2)n1 ZINC000599643122 361769442 /nfs/dbraw/zinc/76/94/42/361769442.db2.gz QQEIFIQEZWBKGH-SNVBAGLBSA-N 1 2 272.280 0.852 20 5 CCBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000094267500 349564245 /nfs/dbraw/zinc/56/42/45/349564245.db2.gz GLGMGAKOZOBIGV-ZDUSSCGKSA-N 1 2 266.297 0.830 20 5 CCBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000094267500 349564248 /nfs/dbraw/zinc/56/42/48/349564248.db2.gz GLGMGAKOZOBIGV-ZDUSSCGKSA-N 1 2 266.297 0.830 20 5 CCBDLO Cc1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000600208572 361891596 /nfs/dbraw/zinc/89/15/96/361891596.db2.gz MRGUVIODLZUKCX-GFCCVEGCSA-N 1 2 293.323 0.979 20 5 CCBDLO Cc1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000600208572 361891600 /nfs/dbraw/zinc/89/16/00/361891600.db2.gz MRGUVIODLZUKCX-GFCCVEGCSA-N 1 2 293.323 0.979 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000600422077 361956618 /nfs/dbraw/zinc/95/66/18/361956618.db2.gz QSVQBLXWVMHQMV-VIFPVBQESA-N 1 2 294.311 0.237 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000600422077 361956620 /nfs/dbraw/zinc/95/66/20/361956620.db2.gz QSVQBLXWVMHQMV-VIFPVBQESA-N 1 2 294.311 0.237 20 5 CCBDLO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600535447 362004447 /nfs/dbraw/zinc/00/44/47/362004447.db2.gz ZZBRWPYTPFYMJQ-SNVBAGLBSA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600535447 362004450 /nfs/dbraw/zinc/00/44/50/362004450.db2.gz ZZBRWPYTPFYMJQ-SNVBAGLBSA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1O ZINC000600536492 362006978 /nfs/dbraw/zinc/00/69/78/362006978.db2.gz WCXZYDGLOPAJBR-SNVBAGLBSA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1O ZINC000600536492 362006981 /nfs/dbraw/zinc/00/69/81/362006981.db2.gz WCXZYDGLOPAJBR-SNVBAGLBSA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000113710722 349818266 /nfs/dbraw/zinc/81/82/66/349818266.db2.gz CLWVOIHMLHATKF-UHFFFAOYSA-N 1 2 297.286 0.484 20 5 CCBDLO O=C1NCC[C@H]1[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533207893 290787879 /nfs/dbraw/zinc/78/78/79/290787879.db2.gz KKNGIFBKUXLTSY-LLVKDONJSA-N 1 2 291.311 0.000 20 5 CCBDLO COC(=O)C(C)(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602773368 362793452 /nfs/dbraw/zinc/79/34/52/362793452.db2.gz PACMUHOHRIQBDW-UHFFFAOYSA-N 1 2 270.289 0.641 20 5 CCBDLO Cc1ccn2cc(CNc3ncc([N+](=O)[O-])c(N)n3)[nH+]c2c1 ZINC000341261992 137086966 /nfs/dbraw/zinc/08/69/66/137086966.db2.gz IUARPTWCXZIQCZ-UHFFFAOYSA-N 1 2 299.294 0.787 20 5 CCBDLO COC[C@H](C(N)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000339358674 215119518 /nfs/dbraw/zinc/11/95/18/215119518.db2.gz HOLVRAWFBPUWQK-LLVKDONJSA-N 1 2 267.285 0.527 20 5 CCBDLO COC[C@H](C(N)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000339358674 215119522 /nfs/dbraw/zinc/11/95/22/215119522.db2.gz HOLVRAWFBPUWQK-LLVKDONJSA-N 1 2 267.285 0.527 20 5 CCBDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000061784769 348659983 /nfs/dbraw/zinc/65/99/83/348659983.db2.gz TVAKOMNWAIDCGU-UHFFFAOYSA-N 1 2 293.323 0.885 20 5 CCBDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000061784769 348659988 /nfs/dbraw/zinc/65/99/88/348659988.db2.gz TVAKOMNWAIDCGU-UHFFFAOYSA-N 1 2 293.323 0.885 20 5 CCBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCOCC2)c1 ZINC000062351346 348667843 /nfs/dbraw/zinc/66/78/43/348667843.db2.gz YFWSCBXYPPVHPQ-GFCCVEGCSA-N 1 2 252.270 0.960 20 5 CCBDLO C[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000127211194 350163403 /nfs/dbraw/zinc/16/34/03/350163403.db2.gz QRWSTXJHWGFBBL-UHFFFAOYSA-N 1 2 292.295 0.307 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174865577 351107682 /nfs/dbraw/zinc/10/76/82/351107682.db2.gz IRNCBSFBCPZPLO-MNOVXSKESA-N 1 2 298.299 0.054 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174865577 351107686 /nfs/dbraw/zinc/10/76/86/351107686.db2.gz IRNCBSFBCPZPLO-MNOVXSKESA-N 1 2 298.299 0.054 20 5 CCBDLO C[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189283668 351665655 /nfs/dbraw/zinc/66/56/55/351665655.db2.gz COMPTCTXHIUQIG-GWCFXTLKSA-N 1 2 293.323 0.839 20 5 CCBDLO C[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189283668 351665656 /nfs/dbraw/zinc/66/56/56/351665656.db2.gz COMPTCTXHIUQIG-GWCFXTLKSA-N 1 2 293.323 0.839 20 5 CCBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C(N)=O)O1 ZINC000122459457 187033406 /nfs/dbraw/zinc/03/34/06/187033406.db2.gz NJRPVXBJSDAQNW-BXKDBHETSA-N 1 2 279.296 0.669 20 5 CCBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C(N)=O)O1 ZINC000122459457 187033407 /nfs/dbraw/zinc/03/34/07/187033407.db2.gz NJRPVXBJSDAQNW-BXKDBHETSA-N 1 2 279.296 0.669 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230017471 352100791 /nfs/dbraw/zinc/10/07/91/352100791.db2.gz RLQGJEACSOUAQE-MWLCHTKSSA-N 1 2 284.316 0.181 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230017471 352100795 /nfs/dbraw/zinc/10/07/95/352100795.db2.gz RLQGJEACSOUAQE-MWLCHTKSSA-N 1 2 284.316 0.181 20 5 CCBDLO O=[N+]([O-])c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000236593481 352200032 /nfs/dbraw/zinc/20/00/32/352200032.db2.gz GVNWNNVVRIXABS-QWRGUYRKSA-N 1 2 283.240 0.040 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1SCC[NH+]1CCOCC1 ZINC000270516544 352942909 /nfs/dbraw/zinc/94/29/09/352942909.db2.gz PTSZXZPGSNOZHD-UHFFFAOYSA-N 1 2 272.330 0.753 20 5 CCBDLO O=C1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000272648575 353082174 /nfs/dbraw/zinc/08/21/74/353082174.db2.gz AGOHPBRHGVTMPK-UHFFFAOYSA-N 1 2 264.285 0.439 20 5 CCBDLO O=C1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000272648575 353082176 /nfs/dbraw/zinc/08/21/76/353082176.db2.gz AGOHPBRHGVTMPK-UHFFFAOYSA-N 1 2 264.285 0.439 20 5 CCBDLO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@@]1=O ZINC000277345019 353238432 /nfs/dbraw/zinc/23/84/32/353238432.db2.gz WHZBHDLWOSNQMH-OVWNDWIMSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@@]1=O ZINC000277345019 353238434 /nfs/dbraw/zinc/23/84/34/353238434.db2.gz WHZBHDLWOSNQMH-OVWNDWIMSA-N 1 2 286.357 0.634 20 5 CCBDLO CC1(C)CNC(=O)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000282473138 353427461 /nfs/dbraw/zinc/42/74/61/353427461.db2.gz GQXFNDJIDQGWKD-UHFFFAOYSA-N 1 2 267.289 0.002 20 5 CCBDLO CC1(C)CNC(=O)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000282473138 353427463 /nfs/dbraw/zinc/42/74/63/353427463.db2.gz GQXFNDJIDQGWKD-UHFFFAOYSA-N 1 2 267.289 0.002 20 5 CCBDLO CC[C@](C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(=O)OC ZINC000293372909 353806770 /nfs/dbraw/zinc/80/67/70/353806770.db2.gz ZFXXPBUWBHTZAB-ZDUSSCGKSA-N 1 2 297.311 0.688 20 5 CCBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000331556173 354605777 /nfs/dbraw/zinc/60/57/77/354605777.db2.gz UNOGZSRDUWZYRZ-NXEZZACHSA-N 1 2 297.336 0.811 20 5 CCBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000331556173 354605778 /nfs/dbraw/zinc/60/57/78/354605778.db2.gz UNOGZSRDUWZYRZ-NXEZZACHSA-N 1 2 297.336 0.811 20 5 CCBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000423702602 235038920 /nfs/dbraw/zinc/03/89/20/235038920.db2.gz YUFDGXPKWMGUJK-ZCFIWIBFSA-N 1 2 289.242 0.293 20 5 CCBDLO C[C@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1ccccc1[N+](=O)[O-] ZINC000271795106 191332098 /nfs/dbraw/zinc/33/20/98/191332098.db2.gz VMOGMCFQUOYKIQ-ZETCQYMHSA-N 1 2 263.257 0.857 20 5 CCBDLO NC(=O)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000338590757 355373684 /nfs/dbraw/zinc/37/36/84/355373684.db2.gz YEIIAAQTLNUFJS-ZDUSSCGKSA-N 1 2 297.286 0.600 20 5 CCBDLO NC(=O)c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000338590757 355373687 /nfs/dbraw/zinc/37/36/87/355373687.db2.gz YEIIAAQTLNUFJS-ZDUSSCGKSA-N 1 2 297.286 0.600 20 5 CCBDLO Cc1nc(CC[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)no1 ZINC000353198376 356175865 /nfs/dbraw/zinc/17/58/65/356175865.db2.gz GNKLXDYRSDDMBF-UHFFFAOYSA-N 1 2 280.288 0.694 20 5 CCBDLO Cc1nc(CC[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)no1 ZINC000353198376 356175867 /nfs/dbraw/zinc/17/58/67/356175867.db2.gz GNKLXDYRSDDMBF-UHFFFAOYSA-N 1 2 280.288 0.694 20 5 CCBDLO O=c1c([N+](=O)[O-])cccn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000362489457 138061521 /nfs/dbraw/zinc/06/15/21/138061521.db2.gz VSBDOPOUKSNFNA-PHIMTYICSA-N 1 2 279.296 0.620 20 5 CCBDLO O=c1c([N+](=O)[O-])cccn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000362489457 138061522 /nfs/dbraw/zinc/06/15/22/138061522.db2.gz VSBDOPOUKSNFNA-PHIMTYICSA-N 1 2 279.296 0.620 20 5 CCBDLO Cc1nn(C)c(N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000609839792 363520484 /nfs/dbraw/zinc/52/04/84/363520484.db2.gz RVQRCEDKOWUHCX-UHFFFAOYSA-N 1 2 250.262 0.996 20 5 CCBDLO Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000610430920 363558401 /nfs/dbraw/zinc/55/84/01/363558401.db2.gz BSFBWACYKNOGAL-NSHDSACASA-N 1 2 280.328 0.853 20 5 CCBDLO Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000610430920 363558404 /nfs/dbraw/zinc/55/84/04/363558404.db2.gz BSFBWACYKNOGAL-NSHDSACASA-N 1 2 280.328 0.853 20 5 CCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356149858 356711436 /nfs/dbraw/zinc/71/14/36/356711436.db2.gz MSTQUXVHVUDAHV-QMMMGPOBSA-N 1 2 278.272 0.343 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365811624 357174611 /nfs/dbraw/zinc/17/46/11/357174611.db2.gz DJEWXCPYHFSKGB-SNVBAGLBSA-N 1 2 276.300 0.972 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365811624 357174614 /nfs/dbraw/zinc/17/46/14/357174614.db2.gz DJEWXCPYHFSKGB-SNVBAGLBSA-N 1 2 276.300 0.972 20 5 CCBDLO O=C(NCc1c[nH+]c[nH]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610657526 363591934 /nfs/dbraw/zinc/59/19/34/363591934.db2.gz ZWMPJHPSMGPEEN-UHFFFAOYSA-N 1 2 290.235 0.977 20 5 CCBDLO O=C(NCc1c[nH]c[nH+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610657526 363591938 /nfs/dbraw/zinc/59/19/38/363591938.db2.gz ZWMPJHPSMGPEEN-UHFFFAOYSA-N 1 2 290.235 0.977 20 5 CCBDLO O=[N+]([O-])c1ccc(Cn2cc([C@H]3COCC[NH2+]3)nn2)cc1 ZINC000594651103 360350331 /nfs/dbraw/zinc/35/03/31/360350331.db2.gz FRJVQGAFQOREEQ-CYBMUJFWSA-N 1 2 289.295 0.896 20 5 CCBDLO Cc1noc(C[N@@H+]2CCC[C@H](OCCO)C2)c1[N+](=O)[O-] ZINC000595323438 360496777 /nfs/dbraw/zinc/49/67/77/360496777.db2.gz SWHKRLQWYYVXFV-JTQLQIEISA-N 1 2 285.300 0.865 20 5 CCBDLO Cc1noc(C[N@H+]2CCC[C@H](OCCO)C2)c1[N+](=O)[O-] ZINC000595323438 360496782 /nfs/dbraw/zinc/49/67/82/360496782.db2.gz SWHKRLQWYYVXFV-JTQLQIEISA-N 1 2 285.300 0.865 20 5 CCBDLO Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000595454494 360537906 /nfs/dbraw/zinc/53/79/06/360537906.db2.gz IDWQMFNRMRBIJS-SBMIAAHKSA-N 1 2 294.311 0.977 20 5 CCBDLO Cc1noc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000595454494 360537911 /nfs/dbraw/zinc/53/79/11/360537911.db2.gz IDWQMFNRMRBIJS-SBMIAAHKSA-N 1 2 294.311 0.977 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC(CO)(CO)C1 ZINC000595808057 360662250 /nfs/dbraw/zinc/66/22/50/360662250.db2.gz RUHMBOWDGHZFDE-UHFFFAOYSA-N 1 2 282.296 0.477 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000595808057 360662253 /nfs/dbraw/zinc/66/22/53/360662253.db2.gz RUHMBOWDGHZFDE-UHFFFAOYSA-N 1 2 282.296 0.477 20 5 CCBDLO CCc1n[nH]c(C(=O)NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000564141696 291267860 /nfs/dbraw/zinc/26/78/60/291267860.db2.gz NTXVMYXXKFUFEB-UHFFFAOYSA-N 1 2 292.299 0.586 20 5 CCBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598947735 361537797 /nfs/dbraw/zinc/53/77/97/361537797.db2.gz NHJCHVWSIQZDBQ-MRVPVSSYSA-N 1 2 275.268 0.864 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942921 361534628 /nfs/dbraw/zinc/53/46/28/361534628.db2.gz CPTASUMFKYMNJH-VIFPVBQESA-N 1 2 290.283 0.037 20 5 CCBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598942510 361535112 /nfs/dbraw/zinc/53/51/12/361535112.db2.gz CDGVGHHGKLZXOH-SSDOTTSWSA-N 1 2 261.241 0.474 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000599161301 361592453 /nfs/dbraw/zinc/59/24/53/361592453.db2.gz NZOYWBHLIJIOGC-VIFPVBQESA-N 1 2 294.311 0.436 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000599161301 361592455 /nfs/dbraw/zinc/59/24/55/361592455.db2.gz NZOYWBHLIJIOGC-VIFPVBQESA-N 1 2 294.311 0.436 20 5 CCBDLO COc1cc(C[NH2+]Cc2cn(C)nn2)c([N+](=O)[O-])cc1O ZINC000611931285 363808377 /nfs/dbraw/zinc/80/83/77/363808377.db2.gz LLNUBJBJYXDZPP-UHFFFAOYSA-N 1 2 293.283 0.727 20 5 CCBDLO C[C@@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000574276658 335006306 /nfs/dbraw/zinc/00/63/06/335006306.db2.gz IOIHUMXALNKZLN-SECBINFHSA-N 1 2 285.275 0.616 20 5 CCBDLO C[C@@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000574276658 335006307 /nfs/dbraw/zinc/00/63/07/335006307.db2.gz IOIHUMXALNKZLN-SECBINFHSA-N 1 2 285.275 0.616 20 5 CCBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cc(F)c2=O)CCO1 ZINC000574637804 335036004 /nfs/dbraw/zinc/03/60/04/335036004.db2.gz QVPCOULBEBJFER-VIFPVBQESA-N 1 2 285.275 0.616 20 5 CCBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cc(F)c2=O)CCO1 ZINC000574637804 335036005 /nfs/dbraw/zinc/03/60/05/335036005.db2.gz QVPCOULBEBJFER-VIFPVBQESA-N 1 2 285.275 0.616 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000515000897 249116416 /nfs/dbraw/zinc/11/64/16/249116416.db2.gz BSGUMMZBFBEGDP-SECBINFHSA-N 1 2 270.264 0.871 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000515000897 249116417 /nfs/dbraw/zinc/11/64/17/249116417.db2.gz BSGUMMZBFBEGDP-SECBINFHSA-N 1 2 270.264 0.871 20 5 CCBDLO CO[C@@H](C[NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000516865597 249183526 /nfs/dbraw/zinc/18/35/26/249183526.db2.gz QVSLIGTUHGBUAH-VIFPVBQESA-N 1 2 255.230 0.213 20 5 CCBDLO COC(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000298053073 284656614 /nfs/dbraw/zinc/65/66/14/284656614.db2.gz IZIDDJLRSWMMAA-UHFFFAOYSA-N 1 2 296.327 0.731 20 5 CCBDLO Cc1n[nH]c(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000522313932 285297908 /nfs/dbraw/zinc/29/79/08/285297908.db2.gz XQARMTXIEVFQNN-QMMMGPOBSA-N 1 2 297.315 0.077 20 5 CCBDLO Cc1n[nH]c(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000522313932 285297909 /nfs/dbraw/zinc/29/79/09/285297909.db2.gz XQARMTXIEVFQNN-QMMMGPOBSA-N 1 2 297.315 0.077 20 5 CCBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCOCC1 ZINC000023379449 388804292 /nfs/dbraw/zinc/80/42/92/388804292.db2.gz SYKTWFYEXMECME-UHFFFAOYSA-N 1 2 293.323 0.586 20 5 CCBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C(N)=O ZINC000078533820 388990183 /nfs/dbraw/zinc/99/01/83/388990183.db2.gz UCLKOSNROSMGMD-SNVBAGLBSA-N 1 2 281.312 0.917 20 5 CCBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C(N)=O ZINC000078533820 388990185 /nfs/dbraw/zinc/99/01/85/388990185.db2.gz UCLKOSNROSMGMD-SNVBAGLBSA-N 1 2 281.312 0.917 20 5 CCBDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000349772188 389432723 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5 CCBDLO O=[N+]([O-])c1nccn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000918368811 638013229 /nfs/dbraw/zinc/01/32/29/638013229.db2.gz NMYZIHLJXQOMGO-AOOOYVTPSA-N 1 2 252.274 0.655 20 5 CCBDLO O=[N+]([O-])c1nccn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000918368811 638013239 /nfs/dbraw/zinc/01/32/39/638013239.db2.gz NMYZIHLJXQOMGO-AOOOYVTPSA-N 1 2 252.274 0.655 20 5 CCBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000801590717 640660899 /nfs/dbraw/zinc/66/08/99/640660899.db2.gz XDDQFEOEKIVMKU-MJBXVCDLSA-N 1 2 294.307 0.728 20 5 CCBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000801590717 640660903 /nfs/dbraw/zinc/66/09/03/640660903.db2.gz XDDQFEOEKIVMKU-MJBXVCDLSA-N 1 2 294.307 0.728 20 5 CCBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@]1(F)CC[NH2+]C1 ZINC000831803455 642397544 /nfs/dbraw/zinc/39/75/44/642397544.db2.gz WWCAINUGCBJBPN-LLVKDONJSA-N 1 2 269.232 0.941 20 5 CCBDLO [NH3+]C[C@@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)=NO1 ZINC000852882627 644041410 /nfs/dbraw/zinc/04/14/10/644041410.db2.gz NESBMPZFPDRAOJ-ZETCQYMHSA-N 1 2 280.240 0.343 20 5 CCBDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000930837461 648914913 /nfs/dbraw/zinc/91/49/13/648914913.db2.gz XBELXGHRDVYFCK-IVZWLZJFSA-N 1 2 281.316 0.389 20 5 CCBDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000930837461 648914917 /nfs/dbraw/zinc/91/49/17/648914917.db2.gz XBELXGHRDVYFCK-IVZWLZJFSA-N 1 2 281.316 0.389 20 5 CCBDLO CN1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931402533 648984286 /nfs/dbraw/zinc/98/42/86/648984286.db2.gz DFPKWNOFSGYMLA-UONOGXRCSA-N 1 2 295.339 0.237 20 5 CCBDLO CN1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931402533 648984288 /nfs/dbraw/zinc/98/42/88/648984288.db2.gz DFPKWNOFSGYMLA-UONOGXRCSA-N 1 2 295.339 0.237 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC2(C1)OCCO2 ZINC000090554078 649681514 /nfs/dbraw/zinc/68/15/14/649681514.db2.gz NGILNYQVXDOKDI-UHFFFAOYSA-N 1 2 295.295 0.205 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC2(C1)OCCO2 ZINC000090554078 649681517 /nfs/dbraw/zinc/68/15/17/649681517.db2.gz NGILNYQVXDOKDI-UHFFFAOYSA-N 1 2 295.295 0.205 20 5 CCBDLO CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266483794 790779191 /nfs/dbraw/zinc/77/91/91/790779191.db2.gz FESZZCKCJZNPMW-YVECIDJPSA-N 1 2 297.355 0.363 20 5 CCBDLO CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266483794 790779195 /nfs/dbraw/zinc/77/91/95/790779195.db2.gz FESZZCKCJZNPMW-YVECIDJPSA-N 1 2 297.355 0.363 20 5 CCBDLO COc1cnc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001155195796 800926742 /nfs/dbraw/zinc/92/67/42/800926742.db2.gz CUEDZQCMLILPOR-JTQLQIEISA-N 1 2 282.300 0.741 20 5 CCBDLO COc1cnc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001155195796 800926745 /nfs/dbraw/zinc/92/67/45/800926745.db2.gz CUEDZQCMLILPOR-JTQLQIEISA-N 1 2 282.300 0.741 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2cccc([N+](=O)[O-])n2)C1 ZINC001155194118 800926960 /nfs/dbraw/zinc/92/69/60/800926960.db2.gz OVGYWVFSZRUYPZ-SECBINFHSA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2cccc([N+](=O)[O-])n2)C1 ZINC001155194118 800926964 /nfs/dbraw/zinc/92/69/64/800926964.db2.gz OVGYWVFSZRUYPZ-SECBINFHSA-N 1 2 252.274 0.732 20 5 CCBDLO Cn1cc(NCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1=O ZINC001161684444 802199343 /nfs/dbraw/zinc/19/93/43/802199343.db2.gz AYODUCJKKHVWON-UHFFFAOYSA-N 1 2 277.284 0.992 20 5 CCBDLO COc1ccc(NC[C@H]2C[N@H+](C)CCO2)nc1[N+](=O)[O-] ZINC001162683058 802393552 /nfs/dbraw/zinc/39/35/52/802393552.db2.gz OELWXLXVXLXZSM-VIFPVBQESA-N 1 2 282.300 0.741 20 5 CCBDLO COc1ccc(NC[C@H]2C[N@@H+](C)CCO2)nc1[N+](=O)[O-] ZINC001162683058 802393561 /nfs/dbraw/zinc/39/35/61/802393561.db2.gz OELWXLXVXLXZSM-VIFPVBQESA-N 1 2 282.300 0.741 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])c(OC)cn2)C[NH2+]1 ZINC001164307081 802715812 /nfs/dbraw/zinc/71/58/12/802715812.db2.gz UICBUBGFICPQRL-YUMQZZPRSA-N 1 2 296.283 0.314 20 5 CCBDLO CSc1nc(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218180105 803934634 /nfs/dbraw/zinc/93/46/34/803934634.db2.gz GQUFUTPXGVEEQZ-YFKPBYRVSA-N 1 2 272.286 0.553 20 5 CCBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cc[n+]([O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001229452251 805536078 /nfs/dbraw/zinc/53/60/78/805536078.db2.gz NZANPKUVVCUXHM-PLMOITTCSA-N 1 2 293.279 0.411 20 5 CCBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cc[n+]([O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001229452251 805536081 /nfs/dbraw/zinc/53/60/81/805536081.db2.gz NZANPKUVVCUXHM-PLMOITTCSA-N 1 2 293.279 0.411 20 5 CCBDLO CC(C)c1ocnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936470 815322985 /nfs/dbraw/zinc/32/29/85/815322985.db2.gz JOPDMRDWHUCHMO-MWLCHTKSSA-N 1 2 296.327 0.669 20 5 CCBDLO Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662612 817228903 /nfs/dbraw/zinc/22/89/03/817228903.db2.gz IYSPATJPFDOHQM-VXGBXAGGSA-N 1 2 294.311 0.196 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C[NH2+]1 ZINC001169131255 836146968 /nfs/dbraw/zinc/14/69/68/836146968.db2.gz WSPLOLJXAPEKSM-SFYZADRCSA-N 1 2 266.257 0.305 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001169131083 836146999 /nfs/dbraw/zinc/14/69/99/836146999.db2.gz UEEZAJHGNXHQDR-BDAKNGLRSA-N 1 2 280.284 0.614 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc([N+](=O)[O-])ccc2OC)C[NH2+]1 ZINC001169131024 836147249 /nfs/dbraw/zinc/14/72/49/836147249.db2.gz SBSMXQTUQQWJAJ-SFYZADRCSA-N 1 2 296.283 0.314 20 5 CCBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCNC(=O)C1 ZINC001173229857 842022280 /nfs/dbraw/zinc/02/22/80/842022280.db2.gz VWKIYRFTBWBSGR-JTQLQIEISA-N 1 2 263.297 0.958 20 5 CCBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCNC(=O)C1 ZINC001173229857 842022290 /nfs/dbraw/zinc/02/22/90/842022290.db2.gz VWKIYRFTBWBSGR-JTQLQIEISA-N 1 2 263.297 0.958 20 5 CCBDLO NC(=O)c1ccc(C[N@@H+]2CC=C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001175678431 842270621 /nfs/dbraw/zinc/27/06/21/842270621.db2.gz PRYMZHWOTNHSRL-LLVKDONJSA-N 1 2 277.280 0.426 20 5 CCBDLO NC(=O)c1ccc(C[N@H+]2CC=C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001175678431 842270628 /nfs/dbraw/zinc/27/06/28/842270628.db2.gz PRYMZHWOTNHSRL-LLVKDONJSA-N 1 2 277.280 0.426 20 5 CCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CC=CC2)nc1 ZINC001118244277 856221147 /nfs/dbraw/zinc/22/11/47/856221147.db2.gz CTUSQMXGDNQMTM-UHFFFAOYSA-N 1 2 298.324 0.140 20 5 CCBDLO Cc1nn(C)c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC001118794298 856446201 /nfs/dbraw/zinc/44/62/01/856446201.db2.gz WUNDVTNSZLTTOB-QMMMGPOBSA-N 1 2 290.283 0.188 20 5 CCBDLO O=C(CCc1[nH]cc[nH+]1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303573309 908098195 /nfs/dbraw/zinc/09/81/95/908098195.db2.gz KVTKTFLMHFCKOL-UHFFFAOYSA-N 1 2 250.218 0.612 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC001329672000 916110847 /nfs/dbraw/zinc/11/08/47/916110847.db2.gz SAXDNCUHZJYHRB-SSDOTTSWSA-N 1 2 276.256 0.178 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001334534200 919641333 /nfs/dbraw/zinc/64/13/33/919641333.db2.gz UOPSKUBXBVHOTB-QMMMGPOBSA-N 1 2 290.283 0.270 20 5 CCBDLO CC[NH2+]Cc1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC001345957703 924022316 /nfs/dbraw/zinc/02/23/16/924022316.db2.gz NWYOAFRWMQVWIY-UHFFFAOYSA-N 1 2 279.256 0.297 20 5 CCBDLO Cc1nn(C[NH+]2CCC3(CC2)COCCO3)cc1[N+](=O)[O-] ZINC001353209070 925763886 /nfs/dbraw/zinc/76/38/86/925763886.db2.gz RXEBGKPLBLAZHM-UHFFFAOYSA-N 1 2 296.327 0.939 20 5 CCBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092735127 349504318 /nfs/dbraw/zinc/50/43/18/349504318.db2.gz OLBVMQLPFJDBLV-GFCCVEGCSA-N 1 2 279.296 0.589 20 5 CCBDLO Cc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000092735127 349504322 /nfs/dbraw/zinc/50/43/22/349504322.db2.gz OLBVMQLPFJDBLV-GFCCVEGCSA-N 1 2 279.296 0.589 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599949633 361839861 /nfs/dbraw/zinc/83/98/61/361839861.db2.gz QSAUDGWFBKWWEN-UHFFFAOYSA-N 1 2 275.268 0.855 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599949633 361839863 /nfs/dbraw/zinc/83/98/63/361839863.db2.gz QSAUDGWFBKWWEN-UHFFFAOYSA-N 1 2 275.268 0.855 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCCF)CC2)n1 ZINC000600076520 361862559 /nfs/dbraw/zinc/86/25/59/361862559.db2.gz NRTUQQNVJTVQLM-UHFFFAOYSA-N 1 2 299.306 0.446 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000600422659 361958293 /nfs/dbraw/zinc/95/82/93/361958293.db2.gz WWNOTQSMJNKUHM-ZDUSSCGKSA-N 1 2 293.323 0.584 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000600422659 361958297 /nfs/dbraw/zinc/95/82/97/361958297.db2.gz WWNOTQSMJNKUHM-ZDUSSCGKSA-N 1 2 293.323 0.584 20 5 CCBDLO CC(=O)N1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602788079 362800008 /nfs/dbraw/zinc/80/00/08/362800008.db2.gz RDLZLZZSAYQSQY-JTQLQIEISA-N 1 2 295.343 0.652 20 5 CCBDLO CC(=O)N1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602788079 362800013 /nfs/dbraw/zinc/80/00/13/362800013.db2.gz RDLZLZZSAYQSQY-JTQLQIEISA-N 1 2 295.343 0.652 20 5 CCBDLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000340903772 137085968 /nfs/dbraw/zinc/08/59/68/137085968.db2.gz IWVPWPPOEZUSMA-VHSXEESVSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000340903772 137085969 /nfs/dbraw/zinc/08/59/69/137085969.db2.gz IWVPWPPOEZUSMA-VHSXEESVSA-N 1 2 279.296 0.988 20 5 CCBDLO COC[C@@H](C(N)=O)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000339358635 215120150 /nfs/dbraw/zinc/12/01/50/215120150.db2.gz DNDMCWRWMDZWAK-NSHDSACASA-N 1 2 297.311 0.406 20 5 CCBDLO COC[C@@H](C(N)=O)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000339358635 215120151 /nfs/dbraw/zinc/12/01/51/215120151.db2.gz DNDMCWRWMDZWAK-NSHDSACASA-N 1 2 297.311 0.406 20 5 CCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000027931171 348103080 /nfs/dbraw/zinc/10/30/80/348103080.db2.gz JATRRDYCDJCXCA-UHFFFAOYSA-N 1 2 299.352 0.839 20 5 CCBDLO Cc1noc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)n1 ZINC000348093476 137372410 /nfs/dbraw/zinc/37/24/10/137372410.db2.gz AGAAOAPVBMMOCD-SSDOTTSWSA-N 1 2 266.261 0.834 20 5 CCBDLO CC(=O)N1CC[NH+](CCNc2ccncc2[N+](=O)[O-])CC1 ZINC000066808879 348756268 /nfs/dbraw/zinc/75/62/68/348756268.db2.gz LSOYKDDUYPGYEY-UHFFFAOYSA-N 1 2 293.327 0.566 20 5 CCBDLO O=[N+]([O-])c1c(NCC[NH+]2CCOCC2)nc2ccccn21 ZINC000070789642 348897087 /nfs/dbraw/zinc/89/70/87/348897087.db2.gz GEYKFLUZFQHLSR-UHFFFAOYSA-N 1 2 291.311 0.987 20 5 CCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000080624367 349222960 /nfs/dbraw/zinc/22/29/60/349222960.db2.gz JNTYHVYMEJLSFP-UHFFFAOYSA-N 1 2 282.281 0.796 20 5 CCBDLO Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000081275312 349254311 /nfs/dbraw/zinc/25/43/11/349254311.db2.gz VMPICUQXXJUVEQ-NSHDSACASA-N 1 2 279.344 0.956 20 5 CCBDLO Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000081275312 349254315 /nfs/dbraw/zinc/25/43/15/349254315.db2.gz VMPICUQXXJUVEQ-NSHDSACASA-N 1 2 279.344 0.956 20 5 CCBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1COCC[NH2+]1 ZINC000088357872 349360790 /nfs/dbraw/zinc/36/07/90/349360790.db2.gz QYIIIBACSFYVQK-SNVBAGLBSA-N 1 2 251.242 0.522 20 5 CCBDLO O=C(CO)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089423240 349386378 /nfs/dbraw/zinc/38/63/78/349386378.db2.gz YXOOKFFNAROBCU-UHFFFAOYSA-N 1 2 279.296 0.231 20 5 CCBDLO COc1ccc(NC(=O)C[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000126620994 350150206 /nfs/dbraw/zinc/15/02/06/350150206.db2.gz TXOZKFBYUBMURZ-UHFFFAOYSA-N 1 2 283.284 0.466 20 5 CCBDLO COc1ccc(NC(=O)C[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000126620994 350150207 /nfs/dbraw/zinc/15/02/07/350150207.db2.gz TXOZKFBYUBMURZ-UHFFFAOYSA-N 1 2 283.284 0.466 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCCNc2cccc[nH+]2)n1 ZINC000271388294 191111013 /nfs/dbraw/zinc/11/10/13/191111013.db2.gz KRULBXDPOOQJIZ-UHFFFAOYSA-N 1 2 290.283 0.565 20 5 CCBDLO C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000162808713 350753811 /nfs/dbraw/zinc/75/38/11/350753811.db2.gz RDTBRSGZBFSZNR-VIFPVBQESA-N 1 2 297.315 0.016 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163748043 350772438 /nfs/dbraw/zinc/77/24/38/350772438.db2.gz IKSSBCOKQRIITC-NSHDSACASA-N 1 2 298.343 0.571 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163748043 350772440 /nfs/dbraw/zinc/77/24/40/350772440.db2.gz IKSSBCOKQRIITC-NSHDSACASA-N 1 2 298.343 0.571 20 5 CCBDLO O=C1NCC[C@H]1[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178282296 351226115 /nfs/dbraw/zinc/22/61/15/351226115.db2.gz CKDRICFUIQGXOW-CYBMUJFWSA-N 1 2 290.323 0.605 20 5 CCBDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000182435628 351362180 /nfs/dbraw/zinc/36/21/80/351362180.db2.gz QUVOUFCPCXAWBE-GFCCVEGCSA-N 1 2 279.296 0.542 20 5 CCBDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000182435628 351362184 /nfs/dbraw/zinc/36/21/84/351362184.db2.gz QUVOUFCPCXAWBE-GFCCVEGCSA-N 1 2 279.296 0.542 20 5 CCBDLO CCN1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000190198003 351713570 /nfs/dbraw/zinc/71/35/70/351713570.db2.gz GMIFJLTXSJAMKC-UHFFFAOYSA-N 1 2 281.316 0.346 20 5 CCBDLO CCN1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000190198003 351713576 /nfs/dbraw/zinc/71/35/76/351713576.db2.gz GMIFJLTXSJAMKC-UHFFFAOYSA-N 1 2 281.316 0.346 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC)CC2)n1 ZINC000191754580 351772037 /nfs/dbraw/zinc/77/20/37/351772037.db2.gz QLYDBTHFQAQTOC-UHFFFAOYSA-N 1 2 281.316 0.589 20 5 CCBDLO NC(=O)[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255843462 352545704 /nfs/dbraw/zinc/54/57/04/352545704.db2.gz JFQSSHJESFITQY-HSBHDXMMSA-N 1 2 291.307 0.794 20 5 CCBDLO NC(=O)[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255843462 352545711 /nfs/dbraw/zinc/54/57/11/352545711.db2.gz JFQSSHJESFITQY-HSBHDXMMSA-N 1 2 291.307 0.794 20 5 CCBDLO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000364041179 137908268 /nfs/dbraw/zinc/90/82/68/137908268.db2.gz WPOWMFZPJOSIHU-LLVKDONJSA-N 1 2 295.343 0.548 20 5 CCBDLO O=C1C[N@H+](CCCNc2ccc([N+](=O)[O-])cn2)CCN1 ZINC000269976408 352892267 /nfs/dbraw/zinc/89/22/67/352892267.db2.gz PUVAFPMZQRBIDK-UHFFFAOYSA-N 1 2 279.300 0.224 20 5 CCBDLO O=C1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cn2)CCN1 ZINC000269976408 352892273 /nfs/dbraw/zinc/89/22/73/352892273.db2.gz PUVAFPMZQRBIDK-UHFFFAOYSA-N 1 2 279.300 0.224 20 5 CCBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@@](=O)C1 ZINC000277557334 353250231 /nfs/dbraw/zinc/25/02/31/353250231.db2.gz TYUDXHYXSQGJNZ-APBUJDDRSA-N 1 2 286.357 0.492 20 5 CCBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@@](=O)C1 ZINC000277557334 353250234 /nfs/dbraw/zinc/25/02/34/353250234.db2.gz TYUDXHYXSQGJNZ-APBUJDDRSA-N 1 2 286.357 0.492 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@](F)(CO)C1 ZINC000286714848 353605815 /nfs/dbraw/zinc/60/58/15/353605815.db2.gz BZOPQXHINUGNCK-CYBMUJFWSA-N 1 2 299.302 0.553 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286714848 353605820 /nfs/dbraw/zinc/60/58/20/353605820.db2.gz BZOPQXHINUGNCK-CYBMUJFWSA-N 1 2 299.302 0.553 20 5 CCBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(n2cc[nH+]c2)C1 ZINC000531833249 358484647 /nfs/dbraw/zinc/48/46/47/358484647.db2.gz OSOLSTDWPOEYSE-UHFFFAOYSA-N 1 2 288.267 0.347 20 5 CCBDLO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330455829 354366106 /nfs/dbraw/zinc/36/61/06/354366106.db2.gz NIWFKRGKLKPOKU-CMPLNLGQSA-N 1 2 282.296 0.882 20 5 CCBDLO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330455829 354366107 /nfs/dbraw/zinc/36/61/07/354366107.db2.gz NIWFKRGKLKPOKU-CMPLNLGQSA-N 1 2 282.296 0.882 20 5 CCBDLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332658207 354713229 /nfs/dbraw/zinc/71/32/29/354713229.db2.gz ANKNKCJVQWIAPQ-VHSXEESVSA-N 1 2 284.316 0.564 20 5 CCBDLO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332658207 354713231 /nfs/dbraw/zinc/71/32/31/354713231.db2.gz ANKNKCJVQWIAPQ-VHSXEESVSA-N 1 2 284.316 0.564 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOCC23CC3)c1 ZINC000338593530 355374788 /nfs/dbraw/zinc/37/47/88/355374788.db2.gz SDNMYUIZHRVAER-UHFFFAOYSA-N 1 2 252.274 0.656 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCOCC23CC3)c1 ZINC000338593530 355374791 /nfs/dbraw/zinc/37/47/91/355374791.db2.gz SDNMYUIZHRVAER-UHFFFAOYSA-N 1 2 252.274 0.656 20 5 CCBDLO COC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620331 356032507 /nfs/dbraw/zinc/03/25/07/356032507.db2.gz BTUDVCYEBWAIAX-LBPRGKRZSA-N 1 2 282.296 0.797 20 5 CCBDLO COC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620331 356032512 /nfs/dbraw/zinc/03/25/12/356032512.db2.gz BTUDVCYEBWAIAX-LBPRGKRZSA-N 1 2 282.296 0.797 20 5 CCBDLO COc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000272976460 192004774 /nfs/dbraw/zinc/00/47/74/192004774.db2.gz UGAQYIKQUQHTAN-LBPRGKRZSA-N 1 2 295.295 0.873 20 5 CCBDLO COc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000272976460 192004776 /nfs/dbraw/zinc/00/47/76/192004776.db2.gz UGAQYIKQUQHTAN-LBPRGKRZSA-N 1 2 295.295 0.873 20 5 CCBDLO C[C@@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)S1=O ZINC000362091032 138046255 /nfs/dbraw/zinc/04/62/55/138046255.db2.gz RCSOZPUOUQFRJN-NXEZZACHSA-N 1 2 286.357 0.633 20 5 CCBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000609150143 363474916 /nfs/dbraw/zinc/47/49/16/363474916.db2.gz QNJPVZKZMPVASW-JTQLQIEISA-N 1 2 266.301 0.544 20 5 CCBDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000609150143 363474925 /nfs/dbraw/zinc/47/49/25/363474925.db2.gz QNJPVZKZMPVASW-JTQLQIEISA-N 1 2 266.301 0.544 20 5 CCBDLO Cc1n[nH]c(C(=O)NCc2[nH]c[nH+]c2C)c1[N+](=O)[O-] ZINC000359499503 356833484 /nfs/dbraw/zinc/83/34/84/356833484.db2.gz DUFNSECXVUXSSJ-UHFFFAOYSA-N 1 2 264.245 0.588 20 5 CCBDLO O=C(NCc1c[nH+]c2n1CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000377141119 357543192 /nfs/dbraw/zinc/54/31/92/357543192.db2.gz OKYCOVYIYPUYOX-UHFFFAOYSA-N 1 2 290.283 0.781 20 5 CCBDLO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449786926 236051426 /nfs/dbraw/zinc/05/14/26/236051426.db2.gz RDUWELBIVQLQDI-LLVKDONJSA-N 1 2 295.339 0.799 20 5 CCBDLO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449786926 236051430 /nfs/dbraw/zinc/05/14/30/236051430.db2.gz RDUWELBIVQLQDI-LLVKDONJSA-N 1 2 295.339 0.799 20 5 CCBDLO O=[N+]([O-])c1cc(F)cnc1NCC[NH+]1CCOCC1 ZINC000401162059 357797841 /nfs/dbraw/zinc/79/78/41/357797841.db2.gz LXIWMPYKEIZBIO-UHFFFAOYSA-N 1 2 270.264 0.873 20 5 CCBDLO CNC(=O)C[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192776862 283320335 /nfs/dbraw/zinc/32/03/35/283320335.db2.gz IAGXCCCGEJQYOM-UHFFFAOYSA-N 1 2 293.327 0.045 20 5 CCBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC([NH3+])C1 ZINC000294802421 199190477 /nfs/dbraw/zinc/19/04/77/199190477.db2.gz ILJBRGBXCFAQFB-UHFFFAOYSA-N 1 2 265.269 0.862 20 5 CCBDLO CCn1cc[nH+]c1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000294869435 199222892 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O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000595334939 360498541 /nfs/dbraw/zinc/49/85/41/360498541.db2.gz BRTSIZABKNWZNB-PHIMTYICSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000595334939 360498545 /nfs/dbraw/zinc/49/85/45/360498545.db2.gz BRTSIZABKNWZNB-PHIMTYICSA-N 1 2 270.260 0.661 20 5 CCBDLO Cc1noc(CN(C)[C@H]2CC[N@@H+]3CCO[C@H]2C3)c1[N+](=O)[O-] ZINC000595506658 360553558 /nfs/dbraw/zinc/55/35/58/360553558.db2.gz FOSUKEHWOMCCFK-QWRGUYRKSA-N 1 2 296.327 0.796 20 5 CCBDLO Cc1noc(CN(C)[C@H]2CC[N@H+]3CCO[C@H]2C3)c1[N+](=O)[O-] ZINC000595506658 360553562 /nfs/dbraw/zinc/55/35/62/360553562.db2.gz FOSUKEHWOMCCFK-QWRGUYRKSA-N 1 2 296.327 0.796 20 5 CCBDLO Cc1noc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[N+](=O)[O-] ZINC000595506658 360553566 /nfs/dbraw/zinc/55/35/66/360553566.db2.gz FOSUKEHWOMCCFK-QWRGUYRKSA-N 1 2 296.327 0.796 20 5 CCBDLO Cc1noc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[N+](=O)[O-] ZINC000595506658 360553571 /nfs/dbraw/zinc/55/35/71/360553571.db2.gz FOSUKEHWOMCCFK-QWRGUYRKSA-N 1 2 296.327 0.796 20 5 CCBDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000182447936 189324169 /nfs/dbraw/zinc/32/41/69/189324169.db2.gz PNXIXVUHACUKIM-CYBMUJFWSA-N 1 2 293.323 0.850 20 5 CCBDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000182447936 189324170 /nfs/dbraw/zinc/32/41/70/189324170.db2.gz PNXIXVUHACUKIM-CYBMUJFWSA-N 1 2 293.323 0.850 20 5 CCBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H](O)[C@@H](O)C1 ZINC000599055417 361562031 /nfs/dbraw/zinc/56/20/31/361562031.db2.gz QOWPMNXTALUMNI-TXEJJXNPSA-N 1 2 275.264 0.685 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599161373 361593026 /nfs/dbraw/zinc/59/30/26/361593026.db2.gz XEXBVJSPKOYJFW-JTQLQIEISA-N 1 2 294.311 0.436 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599161373 361593028 /nfs/dbraw/zinc/59/30/28/361593028.db2.gz XEXBVJSPKOYJFW-JTQLQIEISA-N 1 2 294.311 0.436 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC1(CO)CC1 ZINC000331933583 204309472 /nfs/dbraw/zinc/30/94/72/204309472.db2.gz RACSFRLEWBNBJZ-UHFFFAOYSA-N 1 2 254.290 0.533 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC1(CO)CC1 ZINC000331933583 204309475 /nfs/dbraw/zinc/30/94/75/204309475.db2.gz RACSFRLEWBNBJZ-UHFFFAOYSA-N 1 2 254.290 0.533 20 5 CCBDLO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000262470544 190055555 /nfs/dbraw/zinc/05/55/55/190055555.db2.gz YGSRMMDQYUMAAK-VIFPVBQESA-N 1 2 281.268 0.100 20 5 CCBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000266518916 296240428 /nfs/dbraw/zinc/24/04/28/296240428.db2.gz HPOYCCXNYGMUPT-CABZTGNLSA-N 1 2 279.296 0.842 20 5 CCBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000266518916 296240430 /nfs/dbraw/zinc/24/04/30/296240430.db2.gz HPOYCCXNYGMUPT-CABZTGNLSA-N 1 2 279.296 0.842 20 5 CCBDLO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000264228637 190098323 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O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000192707822 389050129 /nfs/dbraw/zinc/05/01/29/389050129.db2.gz KMIYHBUHHWRPQC-UHFFFAOYSA-N 1 2 277.240 0.322 20 5 CCBDLO Cc1c(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000268405375 389377563 /nfs/dbraw/zinc/37/75/63/389377563.db2.gz CAUPTBRZYXUSKB-RNCFNFMXSA-N 1 2 293.323 0.978 20 5 CCBDLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000268405375 389377565 /nfs/dbraw/zinc/37/75/65/389377565.db2.gz CAUPTBRZYXUSKB-RNCFNFMXSA-N 1 2 293.323 0.978 20 5 CCBDLO Cc1cc([N+](=O)[O-])cn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000373302204 389471820 /nfs/dbraw/zinc/47/18/20/389471820.db2.gz JGEYBYHCKPSLLU-BETUJISGSA-N 1 2 293.323 0.928 20 5 CCBDLO Cc1cc([N+](=O)[O-])cn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1=O ZINC000373302204 389471825 /nfs/dbraw/zinc/47/18/25/389471825.db2.gz JGEYBYHCKPSLLU-BETUJISGSA-N 1 2 293.323 0.928 20 5 CCBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc[nH]n1 ZINC000350158365 389494158 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KGVGVWHXCAUDMY-UHFFFAOYSA-N 1 2 278.355 0.908 20 5 CCBDLO CCc1n[nH]c(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857985240 616031042 /nfs/dbraw/zinc/03/10/42/616031042.db2.gz NVQDIZAFDNWQOL-MRVPVSSYSA-N 1 2 290.283 0.952 20 5 CCBDLO Cn1cc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000852552659 616091270 /nfs/dbraw/zinc/09/12/70/616091270.db2.gz CANBNEFMKSFPQT-ZDUSSCGKSA-N 1 2 291.311 0.889 20 5 CCBDLO Cn1cc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000852552659 616091271 /nfs/dbraw/zinc/09/12/71/616091271.db2.gz CANBNEFMKSFPQT-ZDUSSCGKSA-N 1 2 291.311 0.889 20 5 CCBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)NC1=O ZINC000788010319 616170936 /nfs/dbraw/zinc/17/09/36/616170936.db2.gz VHPQEKVFJKWNKF-LLVKDONJSA-N 1 2 277.280 0.832 20 5 CCBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)NC1=O ZINC000788010319 616170938 /nfs/dbraw/zinc/17/09/38/616170938.db2.gz VHPQEKVFJKWNKF-LLVKDONJSA-N 1 2 277.280 0.832 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](CO)C1 ZINC000912746536 616230399 /nfs/dbraw/zinc/23/03/99/616230399.db2.gz LYFGYYUTEKWTRD-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](CO)C1 ZINC000912746536 616230400 /nfs/dbraw/zinc/23/04/00/616230400.db2.gz LYFGYYUTEKWTRD-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000913552372 616230433 /nfs/dbraw/zinc/23/04/33/616230433.db2.gz MGGHQKAJXKKBSC-JTQLQIEISA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000913552372 616230434 /nfs/dbraw/zinc/23/04/34/616230434.db2.gz MGGHQKAJXKKBSC-JTQLQIEISA-N 1 2 297.286 0.482 20 5 CCBDLO CCCNC(=O)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000050899844 623105392 /nfs/dbraw/zinc/10/53/92/623105392.db2.gz WCKWURYEZLUODS-NSHDSACASA-N 1 2 295.343 0.987 20 5 CCBDLO CCCNC(=O)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000050899844 623105398 /nfs/dbraw/zinc/10/53/98/623105398.db2.gz WCKWURYEZLUODS-NSHDSACASA-N 1 2 295.343 0.987 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895248174 632031784 /nfs/dbraw/zinc/03/17/84/632031784.db2.gz JINKEWCKNFBWLV-KOLCDFICSA-N 1 2 280.332 0.431 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895248174 632031838 /nfs/dbraw/zinc/03/18/38/632031838.db2.gz JINKEWCKNFBWLV-KOLCDFICSA-N 1 2 280.332 0.431 20 5 CCBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000898504948 633613446 /nfs/dbraw/zinc/61/34/46/633613446.db2.gz VEOKJARKXGNIMC-OPRDCNLKSA-N 1 2 259.281 0.202 20 5 CCBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000898504948 633613457 /nfs/dbraw/zinc/61/34/57/633613457.db2.gz VEOKJARKXGNIMC-OPRDCNLKSA-N 1 2 259.281 0.202 20 5 CCBDLO Cc1c(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000913555096 636990654 /nfs/dbraw/zinc/99/06/54/636990654.db2.gz UDQPMAHIFNOTTN-LLVKDONJSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1c(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000913555096 636990660 /nfs/dbraw/zinc/99/06/60/636990660.db2.gz UDQPMAHIFNOTTN-LLVKDONJSA-N 1 2 293.323 0.652 20 5 CCBDLO COCCC[N@H+](CCOC)Cn1cc([N+](=O)[O-])cn1 ZINC000068963580 638281788 /nfs/dbraw/zinc/28/17/88/638281788.db2.gz PDJHIZAIFVFWMR-UHFFFAOYSA-N 1 2 272.305 0.734 20 5 CCBDLO COCCC[N@@H+](CCOC)Cn1cc([N+](=O)[O-])cn1 ZINC000068963580 638281798 /nfs/dbraw/zinc/28/17/98/638281798.db2.gz PDJHIZAIFVFWMR-UHFFFAOYSA-N 1 2 272.305 0.734 20 5 CCBDLO Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000839705608 640355245 /nfs/dbraw/zinc/35/52/45/640355245.db2.gz LOMVCBIXRYHGOW-VXGBXAGGSA-N 1 2 290.323 0.704 20 5 CCBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000876658385 646639342 /nfs/dbraw/zinc/63/93/42/646639342.db2.gz VELBBNLBCFWAKE-CYBMUJFWSA-N 1 2 293.323 0.898 20 5 CCBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000876658385 646639345 /nfs/dbraw/zinc/63/93/45/646639345.db2.gz VELBBNLBCFWAKE-CYBMUJFWSA-N 1 2 293.323 0.898 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C[NH2+]1 ZINC001158254130 801605912 /nfs/dbraw/zinc/60/59/12/801605912.db2.gz OELQCMQJVDQYEU-SCZZXKLOSA-N 1 2 280.284 0.614 20 5 CCBDLO Cc1nc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC001162855411 802430392 /nfs/dbraw/zinc/43/03/92/802430392.db2.gz APXVSRZVIACONR-QMMMGPOBSA-N 1 2 297.315 0.774 20 5 CCBDLO Nc1cc([N+](=O)[O-])cnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164498715 802749562 /nfs/dbraw/zinc/74/95/62/802749562.db2.gz ZKPGHSKJTDZEHC-UHFFFAOYSA-N 1 2 273.243 0.617 20 5 CCBDLO COc1c(O)ccc(C[NH2+]Cc2cnnn2C)c1[N+](=O)[O-] ZINC001206078530 803201929 /nfs/dbraw/zinc/20/19/29/803201929.db2.gz VVNRCVIFIHTASF-UHFFFAOYSA-N 1 2 293.283 0.727 20 5 CCBDLO C[N@@H+]1CCO[C@@H](COc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692566 805380490 /nfs/dbraw/zinc/38/04/90/805380490.db2.gz ZTEHRCKPIHSTRF-MRVPVSSYSA-N 1 2 293.283 0.576 20 5 CCBDLO C[N@H+]1CCO[C@@H](COc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692566 805380498 /nfs/dbraw/zinc/38/04/98/805380498.db2.gz ZTEHRCKPIHSTRF-MRVPVSSYSA-N 1 2 293.283 0.576 20 5 CCBDLO CC(=O)NC1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254598047 808265900 /nfs/dbraw/zinc/26/59/00/808265900.db2.gz GWELNXUNPITRTJ-AWEZNQCLSA-N 1 2 275.308 0.882 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@H](CO)C1)C2 ZINC001254600689 808266318 /nfs/dbraw/zinc/26/63/18/808266318.db2.gz VDZOFVFODAOWRC-KGLIPLIRSA-N 1 2 278.308 0.755 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@H](CO)C1)C2 ZINC001254600689 808266320 /nfs/dbraw/zinc/26/63/20/808266320.db2.gz VDZOFVFODAOWRC-KGLIPLIRSA-N 1 2 278.308 0.755 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C)C[NH2+]1 ZINC001156240388 836092249 /nfs/dbraw/zinc/09/22/49/836092249.db2.gz OELQCMQJVDQYEU-WPRPVWTQSA-N 1 2 280.284 0.614 20 5 CCBDLO CC(C)COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835804 836936552 /nfs/dbraw/zinc/93/65/52/836936552.db2.gz PRJFLTINVVRPRW-CHWSQXEVSA-N 1 2 299.371 0.468 20 5 CCBDLO Cc1[nH]c(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001178441752 842837371 /nfs/dbraw/zinc/83/73/71/842837371.db2.gz SMBAVQZUANSTIK-UHFFFAOYSA-N 1 2 291.267 0.965 20 5 CCBDLO CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001303018729 908058616 /nfs/dbraw/zinc/05/86/16/908058616.db2.gz JEFZHIZJEVZYAM-ZETCQYMHSA-N 1 2 253.262 0.142 20 5 CCBDLO CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001303018729 908058622 /nfs/dbraw/zinc/05/86/22/908058622.db2.gz JEFZHIZJEVZYAM-ZETCQYMHSA-N 1 2 253.262 0.142 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CCc1nnc(C[NH+](C)C)o1 ZINC001322583829 911870853 /nfs/dbraw/zinc/87/08/53/911870853.db2.gz VKTXGWSNTFESTM-UHFFFAOYSA-N 1 2 280.288 0.787 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC001343089202 923198770 /nfs/dbraw/zinc/19/87/70/923198770.db2.gz JMLAFWSEIUXTOM-QMMMGPOBSA-N 1 2 290.283 0.270 20 5 CCBDLO Cn1cc[nH+]c1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC001348614338 924751151 /nfs/dbraw/zinc/75/11/51/924751151.db2.gz OPEFTQBHLQEVHX-UHFFFAOYSA-N 1 2 277.284 0.639 20 5 CCBDLO CCc1[nH]c(CNc2nccc(C(N)=O)c2[N+](=O)[O-])c[nH+]1 ZINC001472888471 926186717 /nfs/dbraw/zinc/18/67/17/926186717.db2.gz KMESKRJNPNXUFZ-UHFFFAOYSA-N 1 2 290.283 0.986 20 5 CCBDLO CCc1[nH]cc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])[nH+]1 ZINC001472888471 926186722 /nfs/dbraw/zinc/18/67/22/926186722.db2.gz KMESKRJNPNXUFZ-UHFFFAOYSA-N 1 2 290.283 0.986 20 5 CCBDLO CCOC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599618715 361761644 /nfs/dbraw/zinc/76/16/44/361761644.db2.gz MKJDPIWEUHSLRW-GFCCVEGCSA-N 1 2 284.316 0.529 20 5 CCBDLO CCOC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599618715 361761647 /nfs/dbraw/zinc/76/16/47/361761647.db2.gz MKJDPIWEUHSLRW-GFCCVEGCSA-N 1 2 284.316 0.529 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000154010731 231694946 /nfs/dbraw/zinc/69/49/46/231694946.db2.gz GXYMINNUSOIBLK-ZDUSSCGKSA-N 1 2 296.323 0.975 20 5 CCBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](CO)C1 ZINC000601979245 362448708 /nfs/dbraw/zinc/44/87/08/362448708.db2.gz BKUBQBWYFQNJGC-VIFPVBQESA-N 1 2 270.264 0.242 20 5 CCBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](CO)C1 ZINC000601979245 362448714 /nfs/dbraw/zinc/44/87/14/362448714.db2.gz BKUBQBWYFQNJGC-VIFPVBQESA-N 1 2 270.264 0.242 20 5 CCBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602772284 362790702 /nfs/dbraw/zinc/79/07/02/362790702.db2.gz RHZWNYWRKGABLS-JTQLQIEISA-N 1 2 281.316 0.429 20 5 CCBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602772284 362790706 /nfs/dbraw/zinc/79/07/06/362790706.db2.gz RHZWNYWRKGABLS-JTQLQIEISA-N 1 2 281.316 0.429 20 5 CCBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000602848420 362836277 /nfs/dbraw/zinc/83/62/77/362836277.db2.gz NIWJVIDNLIWXTQ-OUAUKWLOSA-N 1 2 295.343 0.731 20 5 CCBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000602848420 362836281 /nfs/dbraw/zinc/83/62/81/362836281.db2.gz NIWJVIDNLIWXTQ-OUAUKWLOSA-N 1 2 295.343 0.731 20 5 CCBDLO CN1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000003154078 347977491 /nfs/dbraw/zinc/97/74/91/347977491.db2.gz HGDIQCZKJBXKIK-ZDUSSCGKSA-N 1 2 295.339 0.582 20 5 CCBDLO Cc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000035107182 348156578 /nfs/dbraw/zinc/15/65/78/348156578.db2.gz QTJBVQUGANNIHO-UHFFFAOYSA-N 1 2 293.323 0.653 20 5 CCBDLO COC(=O)[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000043442011 348308726 /nfs/dbraw/zinc/30/87/26/348308726.db2.gz BPWJSXBLPGFKPJ-NSHDSACASA-N 1 2 284.316 0.887 20 5 CCBDLO O=C1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000048658734 348420976 /nfs/dbraw/zinc/42/09/76/348420976.db2.gz BBRGZPDQMFPSQU-UHFFFAOYSA-N 1 2 279.296 0.796 20 5 CCBDLO O=C1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000048658734 348420977 /nfs/dbraw/zinc/42/09/77/348420977.db2.gz BBRGZPDQMFPSQU-UHFFFAOYSA-N 1 2 279.296 0.796 20 5 CCBDLO Cn1cnnc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000347634981 137346705 /nfs/dbraw/zinc/34/67/05/137346705.db2.gz GMWAOPUFGLKKMZ-UHFFFAOYSA-N 1 2 265.277 0.052 20 5 CCBDLO Cn1cnnc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000347634981 137346706 /nfs/dbraw/zinc/34/67/06/137346706.db2.gz GMWAOPUFGLKKMZ-UHFFFAOYSA-N 1 2 265.277 0.052 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000052929064 348517202 /nfs/dbraw/zinc/51/72/02/348517202.db2.gz LHYJMJYNZXAMOY-UHFFFAOYSA-N 1 2 264.285 0.686 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1[nH+]ccn1C ZINC000065836303 348726953 /nfs/dbraw/zinc/72/69/53/348726953.db2.gz YLAXFFBGNQGFFM-UHFFFAOYSA-N 1 2 292.299 0.492 20 5 CCBDLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000089531335 349392465 /nfs/dbraw/zinc/39/24/65/349392465.db2.gz FXVXFENCJYPEAG-GFCCVEGCSA-N 1 2 295.295 0.960 20 5 CCBDLO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000089531335 349392468 /nfs/dbraw/zinc/39/24/68/349392468.db2.gz FXVXFENCJYPEAG-GFCCVEGCSA-N 1 2 295.295 0.960 20 5 CCBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)CO)CC1 ZINC000089422998 349385902 /nfs/dbraw/zinc/38/59/02/349385902.db2.gz OYDGOHQUFGPNCW-NSHDSACASA-N 1 2 293.323 0.792 20 5 CCBDLO COC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090550606 180003122 /nfs/dbraw/zinc/00/31/22/180003122.db2.gz UTVLBLUCCHZGFL-LBPRGKRZSA-N 1 2 297.311 0.104 20 5 CCBDLO COC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090550606 180003123 /nfs/dbraw/zinc/00/31/23/180003123.db2.gz UTVLBLUCCHZGFL-LBPRGKRZSA-N 1 2 297.311 0.104 20 5 CCBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@H+](C)CCO1 ZINC000156894710 350636192 /nfs/dbraw/zinc/63/61/92/350636192.db2.gz NZYSFRGZWSJEBE-PSASIEDQSA-N 1 2 283.284 0.637 20 5 CCBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1C[N@@H+](C)CCO1 ZINC000156894710 350636196 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O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2CO)cc1 ZINC000595715438 360628235 /nfs/dbraw/zinc/62/82/35/360628235.db2.gz HUTHFEOCANUKEZ-GFCCVEGCSA-N 1 2 282.296 0.667 20 5 CCBDLO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000595952638 360729348 /nfs/dbraw/zinc/72/93/48/360729348.db2.gz QXKOMBWVAMLVOY-KWQFWETISA-N 1 2 281.268 0.603 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596075372 360788355 /nfs/dbraw/zinc/78/83/55/360788355.db2.gz IAIAPQCLNYPDRA-VIFPVBQESA-N 1 2 282.300 0.828 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000597997091 361304826 /nfs/dbraw/zinc/30/48/26/361304826.db2.gz LBKPUDYPUGIKRW-BDAKNGLRSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000597997091 361304829 /nfs/dbraw/zinc/30/48/29/361304829.db2.gz LBKPUDYPUGIKRW-BDAKNGLRSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598465354 361424797 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CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183981676 388767737 /nfs/dbraw/zinc/76/77/37/388767737.db2.gz LESHLSSXWRHIEW-UHFFFAOYSA-N 1 2 297.311 0.344 20 5 CCBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000413252379 389484659 /nfs/dbraw/zinc/48/46/59/389484659.db2.gz SAXUTXQDAOCEOH-SECBINFHSA-N 1 2 284.291 0.632 20 5 CCBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000413252379 389484665 /nfs/dbraw/zinc/48/46/65/389484665.db2.gz SAXUTXQDAOCEOH-SECBINFHSA-N 1 2 284.291 0.632 20 5 CCBDLO COc1cc[nH+]cc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000431411886 389859000 /nfs/dbraw/zinc/85/90/00/389859000.db2.gz AWSSYQUBIRGYKK-UHFFFAOYSA-N 1 2 276.256 0.235 20 5 CCBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](O)C[C@H]3CO)nc2c1 ZINC000444683301 389913420 /nfs/dbraw/zinc/91/34/20/389913420.db2.gz XTOIROGFJBUHHI-VHSXEESVSA-N 1 2 292.295 0.399 20 5 CCBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](O)C[C@H]3CO)nc2c1 ZINC000444683301 389913422 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Cc1nnc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC001116580187 855791443 /nfs/dbraw/zinc/79/14/43/855791443.db2.gz JGLZWJYQAJRBDW-MRVPVSSYSA-N 1 2 293.283 0.799 20 5 CCBDLO Cc1[nH]c(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])[nH+]c1C ZINC001294519708 900740744 /nfs/dbraw/zinc/74/07/44/900740744.db2.gz NHOOTKCIZNTNFX-UHFFFAOYSA-N 1 2 290.283 0.842 20 5 CCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH+]1CC=CC1 ZINC001318867037 909907710 /nfs/dbraw/zinc/90/77/10/909907710.db2.gz YYSUYKOTMLFLAW-UHFFFAOYSA-N 1 2 297.336 0.745 20 5 CCBDLO Cn1c[nH+]cc1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001329344090 915827265 /nfs/dbraw/zinc/82/72/65/915827265.db2.gz DTSNZHLRBBETRI-UHFFFAOYSA-N 1 2 276.256 0.434 20 5 CCBDLO C[NH+](C)CCONC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001331187827 917166402 /nfs/dbraw/zinc/16/64/02/917166402.db2.gz VJFNWBLSKOMNCT-UHFFFAOYSA-N 1 2 269.257 0.523 20 5 CCBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c([N+](=O)[O-])cnn1C ZINC001336761602 920984855 /nfs/dbraw/zinc/98/48/55/920984855.db2.gz RLNDBISFKUBVCQ-MNOVXSKESA-N 1 2 295.343 0.628 20 5 CCBDLO Cc1c(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000599666565 361778551 /nfs/dbraw/zinc/77/85/51/361778551.db2.gz YFWQYNDWEBEYCI-GFCCVEGCSA-N 1 2 293.323 0.979 20 5 CCBDLO Cc1c(C[N@H+]2CCO[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000599666565 361778553 /nfs/dbraw/zinc/77/85/53/361778553.db2.gz YFWQYNDWEBEYCI-GFCCVEGCSA-N 1 2 293.323 0.979 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000600209059 361891922 /nfs/dbraw/zinc/89/19/22/361891922.db2.gz SCPBKIYJMXICSN-CYBMUJFWSA-N 1 2 293.323 0.979 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000600209059 361891927 /nfs/dbraw/zinc/89/19/27/361891927.db2.gz SCPBKIYJMXICSN-CYBMUJFWSA-N 1 2 293.323 0.979 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422075 361957314 /nfs/dbraw/zinc/95/73/14/361957314.db2.gz QRXYHPGEYPVCCR-NSHDSACASA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422075 361957324 /nfs/dbraw/zinc/95/73/24/361957324.db2.gz QRXYHPGEYPVCCR-NSHDSACASA-N 1 2 293.323 0.964 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000600426845 361959351 /nfs/dbraw/zinc/95/93/51/361959351.db2.gz UZVPQSPOIOQAGI-GFCCVEGCSA-N 1 2 279.296 0.655 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000600426845 361959356 /nfs/dbraw/zinc/95/93/56/361959356.db2.gz UZVPQSPOIOQAGI-GFCCVEGCSA-N 1 2 279.296 0.655 20 5 CCBDLO Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)ncc1[N+](=O)[O-] ZINC000269936385 190571511 /nfs/dbraw/zinc/57/15/11/190571511.db2.gz FKQRKFXOBCMOMD-UHFFFAOYSA-N 1 2 293.327 0.532 20 5 CCBDLO Cc1cc(NCCC[N@H+]2CCNC(=O)C2)ncc1[N+](=O)[O-] ZINC000269936385 190571512 /nfs/dbraw/zinc/57/15/12/190571512.db2.gz FKQRKFXOBCMOMD-UHFFFAOYSA-N 1 2 293.327 0.532 20 5 CCBDLO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1O ZINC000600809201 362065858 /nfs/dbraw/zinc/06/58/58/362065858.db2.gz WCXZYDGLOPAJBR-JTQLQIEISA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1O ZINC000600809201 362065860 /nfs/dbraw/zinc/06/58/60/362065860.db2.gz WCXZYDGLOPAJBR-JTQLQIEISA-N 1 2 295.295 0.097 20 5 CCBDLO CN(C[C@H](O)CO)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413222742 529960651 /nfs/dbraw/zinc/96/06/51/529960651.db2.gz WBTXFOBNWWEKRU-NSHDSACASA-N 1 2 277.280 0.932 20 5 CCBDLO COC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000119131899 349920084 /nfs/dbraw/zinc/92/00/84/349920084.db2.gz DFQYZBXRRDQNHS-SNVBAGLBSA-N 1 2 284.316 0.969 20 5 CCBDLO Cc1nc2n(n1)CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000602470594 362634143 /nfs/dbraw/zinc/63/41/43/362634143.db2.gz IMTBORCXMUSBHA-UHFFFAOYSA-N 1 2 277.288 0.244 20 5 CCBDLO Cc1nc2n(n1)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000602470594 362634144 /nfs/dbraw/zinc/63/41/44/362634144.db2.gz IMTBORCXMUSBHA-UHFFFAOYSA-N 1 2 277.288 0.244 20 5 CCBDLO Cn1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602471162 362635956 /nfs/dbraw/zinc/63/59/56/362635956.db2.gz JGUPSBCAYVVLFP-SECBINFHSA-N 1 2 294.233 0.827 20 5 CCBDLO Cn1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602471162 362635959 /nfs/dbraw/zinc/63/59/59/362635959.db2.gz JGUPSBCAYVVLFP-SECBINFHSA-N 1 2 294.233 0.827 20 5 CCBDLO COC(=O)C(C)(C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602791684 362802177 /nfs/dbraw/zinc/80/21/77/362802177.db2.gz HSWXAAKTHJVQOW-UHFFFAOYSA-N 1 2 284.316 0.983 20 5 CCBDLO COC(=O)C(C)(C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602791684 362802184 /nfs/dbraw/zinc/80/21/84/362802184.db2.gz HSWXAAKTHJVQOW-UHFFFAOYSA-N 1 2 284.316 0.983 20 5 CCBDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796236 362804813 /nfs/dbraw/zinc/80/48/13/362804813.db2.gz DVJVYAPUGKMSFT-MRVPVSSYSA-N 1 2 267.289 0.039 20 5 CCBDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796236 362804820 /nfs/dbraw/zinc/80/48/20/362804820.db2.gz DVJVYAPUGKMSFT-MRVPVSSYSA-N 1 2 267.289 0.039 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000602809556 362812035 /nfs/dbraw/zinc/81/20/35/362812035.db2.gz IPAWFBWRHHAXFK-CMPLNLGQSA-N 1 2 298.343 0.571 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000602809556 362812040 /nfs/dbraw/zinc/81/20/40/362812040.db2.gz IPAWFBWRHHAXFK-CMPLNLGQSA-N 1 2 298.343 0.571 20 5 CCBDLO COC(=O)[C@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829774 362823864 /nfs/dbraw/zinc/82/38/64/362823864.db2.gz VOFYMKGWLOFDTQ-QMMMGPOBSA-N 1 2 270.289 0.593 20 5 CCBDLO COC(=O)[C@H](C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829774 362823870 /nfs/dbraw/zinc/82/38/70/362823870.db2.gz VOFYMKGWLOFDTQ-QMMMGPOBSA-N 1 2 270.289 0.593 20 5 CCBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602851085 362837948 /nfs/dbraw/zinc/83/79/48/362837948.db2.gz YYRUKWBXLHTASS-OUAUKWLOSA-N 1 2 295.343 0.731 20 5 CCBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602851085 362837952 /nfs/dbraw/zinc/83/79/52/362837952.db2.gz YYRUKWBXLHTASS-OUAUKWLOSA-N 1 2 295.343 0.731 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000602846315 362833159 /nfs/dbraw/zinc/83/31/59/362833159.db2.gz NSXFFCINCSWODC-MWLCHTKSSA-N 1 2 284.316 0.181 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000602846315 362833163 /nfs/dbraw/zinc/83/31/63/362833163.db2.gz NSXFFCINCSWODC-MWLCHTKSSA-N 1 2 284.316 0.181 20 5 CCBDLO COC[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[NH2+]C1 ZINC000261631488 137013095 /nfs/dbraw/zinc/01/30/95/137013095.db2.gz HSFCXTUGXPSZKJ-CYBMUJFWSA-N 1 2 295.295 0.865 20 5 CCBDLO O=[N+]([O-])c1c(-n2cc[nH+]c2)ncnc1N1CCOCC1 ZINC000040609970 348239421 /nfs/dbraw/zinc/23/94/21/348239421.db2.gz CGQIELQGLPLCHS-UHFFFAOYSA-N 1 2 276.256 0.407 20 5 CCBDLO CC(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962331 362910921 /nfs/dbraw/zinc/91/09/21/362910921.db2.gz JGBBQGITDHPEJQ-GFCCVEGCSA-N 1 2 252.270 0.981 20 5 CCBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051129987 348485402 /nfs/dbraw/zinc/48/54/02/348485402.db2.gz KYSCTJYAKUNFBA-SKDRFNHKSA-N 1 2 279.296 0.842 20 5 CCBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051129987 348485409 /nfs/dbraw/zinc/48/54/09/348485409.db2.gz KYSCTJYAKUNFBA-SKDRFNHKSA-N 1 2 279.296 0.842 20 5 CCBDLO O=C1CC[N@H+](Cc2csc([N+](=O)[O-])c2)CCN1 ZINC000065954998 348729639 /nfs/dbraw/zinc/72/96/39/348729639.db2.gz SKZUACPZCREOQL-UHFFFAOYSA-N 1 2 255.299 0.978 20 5 CCBDLO O=C1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CCN1 ZINC000065954998 348729643 /nfs/dbraw/zinc/72/96/43/348729643.db2.gz SKZUACPZCREOQL-UHFFFAOYSA-N 1 2 255.299 0.978 20 5 CCBDLO Cc1cc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000075624754 349042984 /nfs/dbraw/zinc/04/29/84/349042984.db2.gz NDLLCVZIDKAZHM-GFCCVEGCSA-N 1 2 295.299 0.581 20 5 CCBDLO Cc1cc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000075624754 349042987 /nfs/dbraw/zinc/04/29/87/349042987.db2.gz NDLLCVZIDKAZHM-GFCCVEGCSA-N 1 2 295.299 0.581 20 5 CCBDLO Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000088357813 349360477 /nfs/dbraw/zinc/36/04/77/349360477.db2.gz RMEFWIIBKFNVTD-JTQLQIEISA-N 1 2 265.269 0.830 20 5 CCBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)CO)CC1 ZINC000089422999 349386023 /nfs/dbraw/zinc/38/60/23/349386023.db2.gz OYDGOHQUFGPNCW-LLVKDONJSA-N 1 2 293.323 0.792 20 5 CCBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnccn1 ZINC000090551884 180002341 /nfs/dbraw/zinc/00/23/41/180002341.db2.gz JBNBFVIBVIEXFO-UHFFFAOYSA-N 1 2 289.295 0.679 20 5 CCBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnccn1 ZINC000090551884 180002343 /nfs/dbraw/zinc/00/23/43/180002343.db2.gz JBNBFVIBVIEXFO-UHFFFAOYSA-N 1 2 289.295 0.679 20 5 CCBDLO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCn2cc[nH+]c2)c1 ZINC000124415852 350098758 /nfs/dbraw/zinc/09/87/58/350098758.db2.gz QOXKYEDHLCNAOO-UHFFFAOYSA-N 1 2 292.251 0.440 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603086008 362954904 /nfs/dbraw/zinc/95/49/04/362954904.db2.gz DAHAASOAXKMHJG-QMTHXVAHSA-N 1 2 291.307 0.908 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603086008 362954906 /nfs/dbraw/zinc/95/49/06/362954906.db2.gz DAHAASOAXKMHJG-QMTHXVAHSA-N 1 2 291.307 0.908 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603091470 362958602 /nfs/dbraw/zinc/95/86/02/362958602.db2.gz XRMIQRPCVRHCMJ-BXKDBHETSA-N 1 2 250.254 0.867 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603091470 362958605 /nfs/dbraw/zinc/95/86/05/362958605.db2.gz XRMIQRPCVRHCMJ-BXKDBHETSA-N 1 2 250.254 0.867 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000110489942 186298852 /nfs/dbraw/zinc/29/88/52/186298852.db2.gz VRDMXESGHWHZQB-SECBINFHSA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000110489942 186298854 /nfs/dbraw/zinc/29/88/54/186298854.db2.gz VRDMXESGHWHZQB-SECBINFHSA-N 1 2 252.274 0.732 20 5 CCBDLO O=[N+]([O-])c1ncccc1NCC[NH+]1CCOCC1 ZINC000159279453 350674410 /nfs/dbraw/zinc/67/44/10/350674410.db2.gz SEXQENKOPGYWLK-UHFFFAOYSA-N 1 2 252.274 0.734 20 5 CCBDLO O=[N+]([O-])c1ccc(SC[C@@H](O)C[NH+]2CCOCC2)nc1 ZINC000159184245 350671357 /nfs/dbraw/zinc/67/13/57/350671357.db2.gz UHCBWCIINRSYJW-NSHDSACASA-N 1 2 299.352 0.775 20 5 CCBDLO COc1cc(C[NH+](CCO)CCO)c([N+](=O)[O-])cc1F ZINC000184199693 351406111 /nfs/dbraw/zinc/40/61/11/351406111.db2.gz RWUTZSVCLVSSCD-UHFFFAOYSA-N 1 2 288.275 0.529 20 5 CCBDLO C[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248947685 352467593 /nfs/dbraw/zinc/46/75/93/352467593.db2.gz COMPTCTXHIUQIG-GXFFZTMASA-N 1 2 293.323 0.839 20 5 CCBDLO C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248947685 352467597 /nfs/dbraw/zinc/46/75/97/352467597.db2.gz COMPTCTXHIUQIG-GXFFZTMASA-N 1 2 293.323 0.839 20 5 CCBDLO C[N@H+](CCNS(C)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000264495532 352595846 /nfs/dbraw/zinc/59/58/46/352595846.db2.gz HMKFTXLNQRIIBK-UHFFFAOYSA-N 1 2 287.341 0.576 20 5 CCBDLO C[N@@H+](CCNS(C)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000264495532 352595847 /nfs/dbraw/zinc/59/58/47/352595847.db2.gz HMKFTXLNQRIIBK-UHFFFAOYSA-N 1 2 287.341 0.576 20 5 CCBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267107581 352745029 /nfs/dbraw/zinc/74/50/29/352745029.db2.gz WIUVCUQNXKJUNJ-KFTBIWSRSA-N 1 2 286.357 0.633 20 5 CCBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267107581 352745031 /nfs/dbraw/zinc/74/50/31/352745031.db2.gz WIUVCUQNXKJUNJ-KFTBIWSRSA-N 1 2 286.357 0.633 20 5 CCBDLO CNC(=O)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269656891 352859616 /nfs/dbraw/zinc/85/96/16/352859616.db2.gz OTRQDDVPKHYRJV-LLVKDONJSA-N 1 2 267.285 0.306 20 5 CCBDLO CNC(=O)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269656891 352859622 /nfs/dbraw/zinc/85/96/22/352859622.db2.gz OTRQDDVPKHYRJV-LLVKDONJSA-N 1 2 267.285 0.306 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269529571 352839225 /nfs/dbraw/zinc/83/92/25/352839225.db2.gz YDFPIMHXFMCCDB-GFCCVEGCSA-N 1 2 277.328 0.710 20 5 CCBDLO Cc1nc(NC[C@@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296563728 353951598 /nfs/dbraw/zinc/95/15/98/353951598.db2.gz PUCRUNGAGXZEDG-SECBINFHSA-N 1 2 281.316 0.826 20 5 CCBDLO CC(C)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304356541 354114433 /nfs/dbraw/zinc/11/44/33/354114433.db2.gz SKPJBTSZUAHNRB-CYBMUJFWSA-N 1 2 297.359 0.178 20 5 CCBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000330442987 354360470 /nfs/dbraw/zinc/36/04/70/354360470.db2.gz BIHGFANJURIYKH-ZDUSSCGKSA-N 1 2 282.296 0.884 20 5 CCBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000330442987 354360475 /nfs/dbraw/zinc/36/04/75/354360475.db2.gz BIHGFANJURIYKH-ZDUSSCGKSA-N 1 2 282.296 0.884 20 5 CCBDLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330466033 354369804 /nfs/dbraw/zinc/36/98/04/354369804.db2.gz GYLWMEKRVBZZHD-LLVKDONJSA-N 1 2 285.325 0.458 20 5 CCBDLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330466033 354369808 /nfs/dbraw/zinc/36/98/08/354369808.db2.gz GYLWMEKRVBZZHD-LLVKDONJSA-N 1 2 285.325 0.458 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000331478799 354586739 /nfs/dbraw/zinc/58/67/39/354586739.db2.gz BYQCDFBURQLQTA-SNVBAGLBSA-N 1 2 290.283 0.878 20 5 CCBDLO COC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000348202796 355886150 /nfs/dbraw/zinc/88/61/50/355886150.db2.gz NFYIQCNFRVISCW-SNVBAGLBSA-N 1 2 268.273 0.333 20 5 CCBDLO C[C@H]1COCC[N@@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000352636083 356038115 /nfs/dbraw/zinc/03/81/15/356038115.db2.gz HJFRBIAPUNXBPU-JTQLQIEISA-N 1 2 266.301 0.544 20 5 CCBDLO C[C@H]1COCC[N@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000352636083 356038122 /nfs/dbraw/zinc/03/81/22/356038122.db2.gz HJFRBIAPUNXBPU-JTQLQIEISA-N 1 2 266.301 0.544 20 5 CCBDLO O=C(CCc1[nH]cc[nH+]1)NCCn1cc([N+](=O)[O-])cn1 ZINC000355009328 356549190 /nfs/dbraw/zinc/54/91/90/356549190.db2.gz DTQFLFNDPRLKOH-UHFFFAOYSA-N 1 2 278.272 0.263 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000609624891 363510792 /nfs/dbraw/zinc/51/07/92/363510792.db2.gz VMPHRTZCNIVXGT-UHFFFAOYSA-N 1 2 275.268 0.827 20 5 CCBDLO C[C@@H](Nc1ccncc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000355256182 356620641 /nfs/dbraw/zinc/62/06/41/356620641.db2.gz REFWGFRPUUWGEE-MNOVXSKESA-N 1 2 280.328 0.933 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@H]1COC[C@@H]1O)CC2 ZINC000361313303 357045619 /nfs/dbraw/zinc/04/56/19/357045619.db2.gz IVUABBUJJMMVDL-STQMWFEESA-N 1 2 264.281 0.713 20 5 CCBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@H]1COC[C@@H]1O)CC2 ZINC000361313303 357045624 /nfs/dbraw/zinc/04/56/24/357045624.db2.gz IVUABBUJJMMVDL-STQMWFEESA-N 1 2 264.281 0.713 20 5 CCBDLO O=C1CO[C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]2N1 ZINC000377391297 357569831 /nfs/dbraw/zinc/56/98/31/357569831.db2.gz LQRULGRRMPUVHN-NXEZZACHSA-N 1 2 297.336 0.746 20 5 CCBDLO O=C1CO[C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]2N1 ZINC000377391297 357569834 /nfs/dbraw/zinc/56/98/34/357569834.db2.gz LQRULGRRMPUVHN-NXEZZACHSA-N 1 2 297.336 0.746 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378522284 357690160 /nfs/dbraw/zinc/69/01/60/357690160.db2.gz XBBXPMZNKPOBTD-IWSPIJDZSA-N 1 2 250.258 0.738 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC[C@H](O)C1 ZINC000451230794 236145249 /nfs/dbraw/zinc/14/52/49/236145249.db2.gz RQOIEOZVVWVPFP-SECBINFHSA-N 1 2 270.260 0.927 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC[C@H](O)C1 ZINC000451230794 236145250 /nfs/dbraw/zinc/14/52/50/236145250.db2.gz RQOIEOZVVWVPFP-SECBINFHSA-N 1 2 270.260 0.927 20 5 CCBDLO CO[C@H](C[NH3+])CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000567822720 358593486 /nfs/dbraw/zinc/59/34/86/358593486.db2.gz NRDPYKGPRLSYBF-QMMMGPOBSA-N 1 2 269.257 0.603 20 5 CCBDLO CNc1nccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000584848133 359218988 /nfs/dbraw/zinc/21/89/88/359218988.db2.gz IZJHLYAMVXEBQE-SSDOTTSWSA-N 1 2 290.283 0.668 20 5 CCBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567529 359487179 /nfs/dbraw/zinc/48/71/79/359487179.db2.gz MNSIJGOINQPDNR-UHFFFAOYSA-N 1 2 288.267 0.375 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000611276762 363700601 /nfs/dbraw/zinc/70/06/01/363700601.db2.gz GTTWTSJEBPMJNS-PHIMTYICSA-N 1 2 268.269 0.228 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000611276762 363700607 /nfs/dbraw/zinc/70/06/07/363700607.db2.gz GTTWTSJEBPMJNS-PHIMTYICSA-N 1 2 268.269 0.228 20 5 CCBDLO C[C@H]1C[NH+](CCn2nccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594885485 360409402 /nfs/dbraw/zinc/40/94/02/360409402.db2.gz FNSLOCUDDPBUFZ-UWVGGRQHSA-N 1 2 254.290 0.901 20 5 CCBDLO Cc1noc(C[N@@H+]2CCC[C@@](O)(CO)C2)c1[N+](=O)[O-] ZINC000595542735 360572416 /nfs/dbraw/zinc/57/24/16/360572416.db2.gz WRVNMHGGPQOILN-NSHDSACASA-N 1 2 271.273 0.210 20 5 CCBDLO Cc1noc(C[N@H+]2CCC[C@@](O)(CO)C2)c1[N+](=O)[O-] ZINC000595542735 360572418 /nfs/dbraw/zinc/57/24/18/360572418.db2.gz WRVNMHGGPQOILN-NSHDSACASA-N 1 2 271.273 0.210 20 5 CCBDLO CN(CCCn1cc[nH+]c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178092393 189090323 /nfs/dbraw/zinc/09/03/23/189090323.db2.gz STBAECOFDBKSST-UHFFFAOYSA-N 1 2 292.299 0.537 20 5 CCBDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595566179 360583881 /nfs/dbraw/zinc/58/38/81/360583881.db2.gz MFHHWSIFBXBJPP-UHFFFAOYSA-N 1 2 293.287 0.356 20 5 CCBDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595566179 360583886 /nfs/dbraw/zinc/58/38/86/360583886.db2.gz MFHHWSIFBXBJPP-UHFFFAOYSA-N 1 2 293.287 0.356 20 5 CCBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596113689 360797979 /nfs/dbraw/zinc/79/79/79/360797979.db2.gz WXSYLHYKBREJLS-SECBINFHSA-N 1 2 281.316 0.127 20 5 CCBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596113689 360797982 /nfs/dbraw/zinc/79/79/82/360797982.db2.gz WXSYLHYKBREJLS-SECBINFHSA-N 1 2 281.316 0.127 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597994592 361303084 /nfs/dbraw/zinc/30/30/84/361303084.db2.gz CAHBWVXDDKZDCG-ZJUUUORDSA-N 1 2 296.327 0.762 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597994592 361303087 /nfs/dbraw/zinc/30/30/87/361303087.db2.gz CAHBWVXDDKZDCG-ZJUUUORDSA-N 1 2 296.327 0.762 20 5 CCBDLO CN(CC1C[NH+](C)C1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598162065 361346041 /nfs/dbraw/zinc/34/60/41/361346041.db2.gz SGQQUDMSDCIHFV-UHFFFAOYSA-N 1 2 279.296 0.934 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000352795490 249006688 /nfs/dbraw/zinc/00/66/88/249006688.db2.gz DHPFUCMRQZGRCC-NWDGAFQWSA-N 1 2 282.296 0.795 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352795490 249006689 /nfs/dbraw/zinc/00/66/89/249006689.db2.gz DHPFUCMRQZGRCC-NWDGAFQWSA-N 1 2 282.296 0.795 20 5 CCBDLO O=C1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]2N1 ZINC000132670918 296334352 /nfs/dbraw/zinc/33/43/52/296334352.db2.gz MOLZCDIARRMHCV-RYUDHWBXSA-N 1 2 293.327 0.534 20 5 CCBDLO O=C1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]2N1 ZINC000132670918 296334353 /nfs/dbraw/zinc/33/43/53/296334353.db2.gz MOLZCDIARRMHCV-RYUDHWBXSA-N 1 2 293.327 0.534 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000284307952 285114427 /nfs/dbraw/zinc/11/44/27/285114427.db2.gz ZPFLWOFWARAQSS-WDEREUQCSA-N 1 2 297.267 0.431 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000284307952 285114430 /nfs/dbraw/zinc/11/44/30/285114430.db2.gz ZPFLWOFWARAQSS-WDEREUQCSA-N 1 2 297.267 0.431 20 5 CCBDLO CNc1nc(C(=O)NC2C[NH+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457722596 533076518 /nfs/dbraw/zinc/07/65/18/533076518.db2.gz FZUAODUFAKPUDW-UHFFFAOYSA-N 1 2 293.327 0.854 20 5 CCBDLO O=[N+]([O-])c1cnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000354568218 285174327 /nfs/dbraw/zinc/17/43/27/285174327.db2.gz NOUGZORBUIVNOD-UHFFFAOYSA-N 1 2 289.299 0.430 20 5 CCBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000522267059 285296110 /nfs/dbraw/zinc/29/61/10/285296110.db2.gz DMCNJAWJLKSLIV-VIFPVBQESA-N 1 2 282.300 0.373 20 5 CCBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000522267059 285296112 /nfs/dbraw/zinc/29/61/12/285296112.db2.gz DMCNJAWJLKSLIV-VIFPVBQESA-N 1 2 282.300 0.373 20 5 CCBDLO O=C(NCCc1[nH]cc[nH+]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193571897 389073202 /nfs/dbraw/zinc/07/32/02/389073202.db2.gz IAUXCEBSXPVQKF-UHFFFAOYSA-N 1 2 277.240 0.391 20 5 CCBDLO CC(C)(NC(=O)Cn1ccc([N+](=O)[O-])n1)c1[nH]cc[nH+]1 ZINC000520594366 390583547 /nfs/dbraw/zinc/58/35/47/390583547.db2.gz JOVWHLGWPRAXQD-UHFFFAOYSA-N 1 2 278.272 0.566 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(n2cc[nH+]c2)C1 ZINC000523689025 390640676 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C[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413254562 389485540 /nfs/dbraw/zinc/48/55/40/389485540.db2.gz YTTJHNACCNFSIA-VIFPVBQESA-N 1 2 284.291 0.632 20 5 CCBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000374339113 389568582 /nfs/dbraw/zinc/56/85/82/389568582.db2.gz FZLIPVWGADLDMC-OPRDCNLKSA-N 1 2 264.285 0.401 20 5 CCBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC(O)C1 ZINC000447799801 389965594 /nfs/dbraw/zinc/96/55/94/389965594.db2.gz MEOOOABFIIEJMK-UHFFFAOYSA-N 1 2 293.323 0.608 20 5 CCBDLO Cc1nn(C)c(NCC2([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000433823894 389919818 /nfs/dbraw/zinc/91/98/18/389919818.db2.gz ZCYQMCVKZNBUJM-UHFFFAOYSA-N 1 2 295.343 0.913 20 5 CCBDLO Cc1ccnc(NC[C@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000269456317 132173955 /nfs/dbraw/zinc/17/39/55/132173955.db2.gz FXZCDPYIJPFVDR-NSHDSACASA-N 1 2 277.328 0.710 20 5 CCBDLO Cn1c[nH+]cc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356788242 144033717 /nfs/dbraw/zinc/03/37/17/144033717.db2.gz ZWOWDOSXRLRZQH-UHFFFAOYSA-N 1 2 293.258 0.980 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(-c2nc(Cc3c[nH+]cn3C)no2)n1 ZINC000357961332 144137772 /nfs/dbraw/zinc/13/77/72/144137772.db2.gz ZLGCTDZUNGBBFS-UHFFFAOYSA-N 1 2 289.255 0.703 20 5 CCBDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000373034243 144389718 /nfs/dbraw/zinc/38/97/18/144389718.db2.gz IAEGUVOXNVZXON-OVWNDWIMSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000373034243 144389720 /nfs/dbraw/zinc/38/97/20/144389720.db2.gz IAEGUVOXNVZXON-OVWNDWIMSA-N 1 2 286.357 0.634 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCOCC1 ZINC000071515254 176193302 /nfs/dbraw/zinc/19/33/02/176193302.db2.gz KUYFDFFROQCPPI-UHFFFAOYSA-N 1 2 253.258 0.089 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(N)=O)CC1 ZINC000266998088 278746427 /nfs/dbraw/zinc/74/64/27/278746427.db2.gz XMKJCYDOGCCREA-UHFFFAOYSA-N 1 2 278.312 0.511 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](C)C1 ZINC000331353811 279158069 /nfs/dbraw/zinc/15/80/69/279158069.db2.gz PFCGQTCEMLXRJX-SECBINFHSA-N 1 2 254.290 0.820 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](C)C1 ZINC000331353811 279158071 /nfs/dbraw/zinc/15/80/71/279158071.db2.gz PFCGQTCEMLXRJX-SECBINFHSA-N 1 2 254.290 0.820 20 5 CCBDLO CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C[NH3+])C1 ZINC000582545161 329105056 /nfs/dbraw/zinc/10/50/56/329105056.db2.gz PUVUFZISAUYMHD-JTQLQIEISA-N 1 2 294.311 0.015 20 5 CCBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000166052839 334904750 /nfs/dbraw/zinc/90/47/50/334904750.db2.gz LCDKJUHDPZXIJL-UHFFFAOYSA-N 1 2 291.267 0.401 20 5 CCBDLO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCO1 ZINC000576517503 335213788 /nfs/dbraw/zinc/21/37/88/335213788.db2.gz ORVJQYUDNHIKMF-JTQLQIEISA-N 1 2 295.295 0.490 20 5 CCBDLO COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000054547583 523851582 /nfs/dbraw/zinc/85/15/82/523851582.db2.gz UTUJKGZGSOZOJK-UHFFFAOYSA-N 1 2 283.284 0.592 20 5 CCBDLO COC(=O)[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])[C@@H]1C ZINC000787236397 581462277 /nfs/dbraw/zinc/46/22/77/581462277.db2.gz CGIUMBPXZOPJTL-BDAKNGLRSA-N 1 2 268.273 0.632 20 5 CCBDLO COC(=O)[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])[C@@H]1C ZINC000787236397 581462278 /nfs/dbraw/zinc/46/22/78/581462278.db2.gz CGIUMBPXZOPJTL-BDAKNGLRSA-N 1 2 268.273 0.632 20 5 CCBDLO CS(=O)(=O)C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000787730185 581476384 /nfs/dbraw/zinc/47/63/84/581476384.db2.gz LVUZWGCNGKKAKB-LLVKDONJSA-N 1 2 272.326 0.639 20 5 CCBDLO CC(=O)N1CC[C@H](C[N@@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC000754774995 581609159 /nfs/dbraw/zinc/60/91/59/581609159.db2.gz VQXBRRXAARBGCJ-LLVKDONJSA-N 1 2 281.316 0.549 20 5 CCBDLO CC(=O)N1CC[C@H](C[N@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC000754774995 581609163 /nfs/dbraw/zinc/60/91/63/581609163.db2.gz VQXBRRXAARBGCJ-LLVKDONJSA-N 1 2 281.316 0.549 20 5 CCBDLO O=C1CC2(CN1)CC[NH+](Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000751932100 582096750 /nfs/dbraw/zinc/09/67/50/582096750.db2.gz MSSOMJHDYBJXBC-UHFFFAOYSA-N 1 2 279.300 0.351 20 5 CCBDLO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000929766003 615562232 /nfs/dbraw/zinc/56/22/32/615562232.db2.gz HBEQSTFFYTYYEG-VXGBXAGGSA-N 1 2 257.334 0.984 20 5 CCBDLO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000929766003 615562233 /nfs/dbraw/zinc/56/22/33/615562233.db2.gz HBEQSTFFYTYYEG-VXGBXAGGSA-N 1 2 257.334 0.984 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@H](CO)C1 ZINC000912739179 616229983 /nfs/dbraw/zinc/22/99/83/616229983.db2.gz RYGIYULXWZBWNG-JTQLQIEISA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@H](CO)C1 ZINC000912739179 616229984 /nfs/dbraw/zinc/22/99/84/616229984.db2.gz RYGIYULXWZBWNG-JTQLQIEISA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000894882221 616247485 /nfs/dbraw/zinc/24/74/85/616247485.db2.gz TYILWMWCHSHINZ-VIFPVBQESA-N 1 2 270.264 0.242 20 5 CCBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000894882221 616247486 /nfs/dbraw/zinc/24/74/86/616247486.db2.gz TYILWMWCHSHINZ-VIFPVBQESA-N 1 2 270.264 0.242 20 5 CCBDLO O=C(Cc1cn2c([nH+]1)CCCC2)OCCC[N+](=O)[O-] ZINC000860919183 624633863 /nfs/dbraw/zinc/63/38/63/624633863.db2.gz KAFOZAGRYRLYCZ-UHFFFAOYSA-N 1 2 267.285 0.972 20 5 CCBDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000178778784 631543969 /nfs/dbraw/zinc/54/39/69/631543969.db2.gz DEFOKDPIQUOWMR-VIFPVBQESA-N 1 2 268.273 0.776 20 5 CCBDLO COC(=O)C[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000178778784 631543975 /nfs/dbraw/zinc/54/39/75/631543975.db2.gz DEFOKDPIQUOWMR-VIFPVBQESA-N 1 2 268.273 0.776 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912749448 636668340 /nfs/dbraw/zinc/66/83/40/636668340.db2.gz ZLNFMOLFTUWHSC-NSHDSACASA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912749448 636668341 /nfs/dbraw/zinc/66/83/41/636668341.db2.gz ZLNFMOLFTUWHSC-NSHDSACASA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000912750275 636668443 /nfs/dbraw/zinc/66/84/43/636668443.db2.gz XOEXITPZXDVSTE-GFCCVEGCSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000912750275 636668445 /nfs/dbraw/zinc/66/84/45/636668445.db2.gz XOEXITPZXDVSTE-GFCCVEGCSA-N 1 2 293.323 0.652 20 5 CCBDLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839499091 640316469 /nfs/dbraw/zinc/31/64/69/640316469.db2.gz XKVNTDBGQGCYNH-RKDXNWHRSA-N 1 2 250.258 0.275 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834600930 642613788 /nfs/dbraw/zinc/61/37/88/642613788.db2.gz WVBRNGGQLUIANL-LMLFDSFASA-N 1 2 271.292 0.296 20 5 CCBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000929519473 648750316 /nfs/dbraw/zinc/75/03/16/648750316.db2.gz ZJYBAZHQWDZPFX-LBPRGKRZSA-N 1 2 298.387 0.328 20 5 CCBDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000930837453 648914891 /nfs/dbraw/zinc/91/48/91/648914891.db2.gz XBELXGHRDVYFCK-AEJSXWLSSA-N 1 2 281.316 0.389 20 5 CCBDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000930837453 648914894 /nfs/dbraw/zinc/91/48/94/648914894.db2.gz XBELXGHRDVYFCK-AEJSXWLSSA-N 1 2 281.316 0.389 20 5 CCBDLO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncn1C ZINC001267241194 793229971 /nfs/dbraw/zinc/22/99/71/793229971.db2.gz NLXBADSFYYKQCK-VXGBXAGGSA-N 1 2 295.343 0.023 20 5 CCBDLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncn1C ZINC001267241194 793229980 /nfs/dbraw/zinc/22/99/80/793229980.db2.gz NLXBADSFYYKQCK-VXGBXAGGSA-N 1 2 295.343 0.023 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001157934245 801530617 /nfs/dbraw/zinc/53/06/17/801530617.db2.gz UZACAUOTUYUAAP-UHFFFAOYSA-N 1 2 286.251 0.888 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001158254918 801605452 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COC[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248188460 807508786 /nfs/dbraw/zinc/50/87/86/807508786.db2.gz XDRURONXOKJZBL-ZCFIWIBFSA-N 1 2 283.219 0.825 20 5 CCBDLO C[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(=O)N1 ZINC001254599259 808265458 /nfs/dbraw/zinc/26/54/58/808265458.db2.gz MUYSKTZDKVEKIZ-ZANVPECISA-N 1 2 275.308 0.882 20 5 CCBDLO C[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(=O)N1 ZINC001254599259 808265461 /nfs/dbraw/zinc/26/54/61/808265461.db2.gz MUYSKTZDKVEKIZ-ZANVPECISA-N 1 2 275.308 0.882 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001168756805 819302832 /nfs/dbraw/zinc/30/28/32/819302832.db2.gz SGVHOQHPMUNDML-UHFFFAOYSA-N 1 2 286.251 0.888 20 5 CCBDLO COc1nc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001155197710 822087549 /nfs/dbraw/zinc/08/75/49/822087549.db2.gz WKRSLKHOKUEEOJ-VIFPVBQESA-N 1 2 297.315 0.444 20 5 CCBDLO COc1nc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001155197710 822087556 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ZINC000602846314 362833001 /nfs/dbraw/zinc/83/30/01/362833001.db2.gz NSXFFCINCSWODC-KOLCDFICSA-N 1 2 284.316 0.181 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000602846314 362833005 /nfs/dbraw/zinc/83/30/05/362833005.db2.gz NSXFFCINCSWODC-KOLCDFICSA-N 1 2 284.316 0.181 20 5 CCBDLO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c([N+](=O)[O-])n1 ZINC000602871645 362852500 /nfs/dbraw/zinc/85/25/00/362852500.db2.gz SESQJJPIIGEAQL-VXAXSWHGSA-N 1 2 270.314 0.034 20 5 CCBDLO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c([N+](=O)[O-])n1 ZINC000602871645 362852502 /nfs/dbraw/zinc/85/25/02/362852502.db2.gz SESQJJPIIGEAQL-VXAXSWHGSA-N 1 2 270.314 0.034 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000346573926 137293876 /nfs/dbraw/zinc/29/38/76/137293876.db2.gz YFNJPCGFPGTYQP-UHFFFAOYSA-N 1 2 291.267 0.138 20 5 CCBDLO CCOC(=O)C[N@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000050051730 348464267 /nfs/dbraw/zinc/46/42/67/348464267.db2.gz MDPIGEMHGNHYPK-UHFFFAOYSA-N 1 2 284.316 0.985 20 5 CCBDLO CCOC(=O)C[N@@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000050051730 348464268 /nfs/dbraw/zinc/46/42/68/348464268.db2.gz MDPIGEMHGNHYPK-UHFFFAOYSA-N 1 2 284.316 0.985 20 5 CCBDLO CC(=O)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351343 348667888 /nfs/dbraw/zinc/66/78/88/348667888.db2.gz DTZBZAVRPGJSLO-AWEZNQCLSA-N 1 2 293.323 0.792 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000089153259 349377041 /nfs/dbraw/zinc/37/70/41/349377041.db2.gz MSQXOPFNPAGISH-QWHCGFSZSA-N 1 2 296.327 0.671 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000089153259 349377045 /nfs/dbraw/zinc/37/70/45/349377045.db2.gz MSQXOPFNPAGISH-QWHCGFSZSA-N 1 2 296.327 0.671 20 5 CCBDLO NC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000181725944 351334478 /nfs/dbraw/zinc/33/44/78/351334478.db2.gz KQMRCKLTOLSNCN-UHFFFAOYSA-N 1 2 293.279 0.569 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000183392953 351379713 /nfs/dbraw/zinc/37/97/13/351379713.db2.gz NEEMNJOZKFYLPB-ZWNOBZJWSA-N 1 2 293.323 0.978 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000183392953 351379715 /nfs/dbraw/zinc/37/97/15/351379715.db2.gz NEEMNJOZKFYLPB-ZWNOBZJWSA-N 1 2 293.323 0.978 20 5 CCBDLO CCN1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C1=O ZINC000186540072 351502779 /nfs/dbraw/zinc/50/27/79/351502779.db2.gz OCUPNEDXZXVTSH-UHFFFAOYSA-N 1 2 295.343 0.734 20 5 CCBDLO CCN1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C1=O ZINC000186540072 351502781 /nfs/dbraw/zinc/50/27/81/351502781.db2.gz OCUPNEDXZXVTSH-UHFFFAOYSA-N 1 2 295.343 0.734 20 5 CCBDLO Cc1cc(=O)n(CC[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188325770 351588446 /nfs/dbraw/zinc/58/84/46/351588446.db2.gz RCPFAVHCYDOPPB-LLVKDONJSA-N 1 2 281.312 0.786 20 5 CCBDLO Cc1cc(=O)n(CC[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188325770 351588448 /nfs/dbraw/zinc/58/84/48/351588448.db2.gz RCPFAVHCYDOPPB-LLVKDONJSA-N 1 2 281.312 0.786 20 5 CCBDLO C[NH+](C)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234256382 352155863 /nfs/dbraw/zinc/15/58/63/352155863.db2.gz DRAYXWVJPDXDMJ-UHFFFAOYSA-N 1 2 267.285 0.982 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270759638 352980021 /nfs/dbraw/zinc/98/00/21/352980021.db2.gz QCYFHPRDSKFGNO-SNVBAGLBSA-N 1 2 294.311 0.846 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270759638 352980026 /nfs/dbraw/zinc/98/00/26/352980026.db2.gz QCYFHPRDSKFGNO-SNVBAGLBSA-N 1 2 294.311 0.846 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000270760433 352980257 /nfs/dbraw/zinc/98/02/57/352980257.db2.gz FLIMDDMBMHZDDF-UHFFFAOYSA-N 1 2 279.300 0.249 20 5 CCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278009264 353277509 /nfs/dbraw/zinc/27/75/09/353277509.db2.gz YINRKRUONAEKOT-MRVPVSSYSA-N 1 2 291.267 0.710 20 5 CCBDLO COC(=O)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157495551 188320991 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C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330568878 354417773 /nfs/dbraw/zinc/41/77/73/354417773.db2.gz LWNNKXBFESHCFC-SNVBAGLBSA-N 1 2 296.327 0.384 20 5 CCBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331313691 354530870 /nfs/dbraw/zinc/53/08/70/354530870.db2.gz CKZSRGNTMBDPND-UHFFFAOYSA-N 1 2 296.327 0.764 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425496283 235300948 /nfs/dbraw/zinc/30/09/48/235300948.db2.gz ALBFBUMYVDUIFF-JTQLQIEISA-N 1 2 291.315 0.757 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425496283 235300951 /nfs/dbraw/zinc/30/09/51/235300951.db2.gz ALBFBUMYVDUIFF-JTQLQIEISA-N 1 2 291.315 0.757 20 5 CCBDLO Cc1ccn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1[N+](=O)[O-] ZINC000341458163 355675528 /nfs/dbraw/zinc/67/55/28/355675528.db2.gz IVUYMICEZSORKV-TXEJJXNPSA-N 1 2 293.323 0.928 20 5 CCBDLO Cc1ccn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)c1[N+](=O)[O-] ZINC000341458163 355675532 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CCOc1cc(C[N@@H+](C)CC(N)=O)ccc1[N+](=O)[O-] ZINC000492417097 528259404 /nfs/dbraw/zinc/25/94/04/528259404.db2.gz NEHARHPKUMSVSM-UHFFFAOYSA-N 1 2 267.285 0.911 20 5 CCBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000791051410 581205845 /nfs/dbraw/zinc/20/58/45/581205845.db2.gz CPZPJFJIXBJERG-SECBINFHSA-N 1 2 259.306 0.862 20 5 CCBDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791051410 581205848 /nfs/dbraw/zinc/20/58/48/581205848.db2.gz CPZPJFJIXBJERG-SECBINFHSA-N 1 2 259.306 0.862 20 5 CCBDLO O=[N+]([O-])CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791053804 581259256 /nfs/dbraw/zinc/25/92/56/581259256.db2.gz PSNJMAQDOBNJTQ-UHFFFAOYSA-N 1 2 280.284 0.994 20 5 CCBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC(C)(C)OC1=O ZINC000795652064 581417920 /nfs/dbraw/zinc/41/79/20/581417920.db2.gz LTSKHUIHIMAHDI-SNVBAGLBSA-N 1 2 282.300 0.817 20 5 CCBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC(C)(C)OC1=O ZINC000795652064 581417921 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CCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]1CO ZINC000934024236 625003205 /nfs/dbraw/zinc/00/32/05/625003205.db2.gz BEGIOEWGGHFCPK-BXKDBHETSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]1CO ZINC000934024236 625003206 /nfs/dbraw/zinc/00/32/06/625003206.db2.gz BEGIOEWGGHFCPK-BXKDBHETSA-N 1 2 279.296 0.988 20 5 CCBDLO O=[N+]([O-])CC[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000905061323 634793724 /nfs/dbraw/zinc/79/37/24/634793724.db2.gz GNPGSOZJUXZRMC-UHFFFAOYSA-N 1 2 292.744 0.980 20 5 CCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802237376 634963538 /nfs/dbraw/zinc/96/35/38/634963538.db2.gz DRODMIFOPVVKOG-SECBINFHSA-N 1 2 286.263 0.378 20 5 CCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802237376 634963545 /nfs/dbraw/zinc/96/35/45/634963545.db2.gz DRODMIFOPVVKOG-SECBINFHSA-N 1 2 286.263 0.378 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913550921 636845792 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C[N@H+](CCC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339196971 215006453 /nfs/dbraw/zinc/00/64/53/215006453.db2.gz XRFMEGAUXTWTSB-UHFFFAOYSA-N 1 2 253.258 0.608 20 5 CCBDLO C[N@@H+](CCC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339196971 215006456 /nfs/dbraw/zinc/00/64/56/215006456.db2.gz XRFMEGAUXTWTSB-UHFFFAOYSA-N 1 2 253.258 0.608 20 5 CCBDLO Cn1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c([N+](=O)[O-])n1 ZINC000602623593 362718085 /nfs/dbraw/zinc/71/80/85/362718085.db2.gz LQFZZDIGVHCPFP-JTQLQIEISA-N 1 2 277.288 0.367 20 5 CCBDLO Cn1cc(C[N@H+]2CC[C@H](n3cncn3)C2)c([N+](=O)[O-])n1 ZINC000602623593 362718090 /nfs/dbraw/zinc/71/80/90/362718090.db2.gz LQFZZDIGVHCPFP-JTQLQIEISA-N 1 2 277.288 0.367 20 5 CCBDLO Cn1cc(C[N@H+](C)C[C@H]2COCCO2)c([N+](=O)[O-])n1 ZINC000602706904 362762063 /nfs/dbraw/zinc/76/20/63/362762063.db2.gz HMRCVAZNEUHGAX-JTQLQIEISA-N 1 2 270.289 0.176 20 5 CCBDLO Cn1cc(C[N@@H+](C)C[C@H]2COCCO2)c([N+](=O)[O-])n1 ZINC000602706904 362762064 /nfs/dbraw/zinc/76/20/64/362762064.db2.gz HMRCVAZNEUHGAX-JTQLQIEISA-N 1 2 270.289 0.176 20 5 CCBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCCn1cc[nH+]c1 ZINC000046150203 348350758 /nfs/dbraw/zinc/35/07/58/348350758.db2.gz KLRRYTWRITYJMJ-UHFFFAOYSA-N 1 2 290.279 0.987 20 5 CCBDLO NC(=O)CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054445078 348556412 /nfs/dbraw/zinc/55/64/12/348556412.db2.gz MOWSLCJMLPOZSI-UHFFFAOYSA-N 1 2 278.312 0.198 20 5 CCBDLO Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)ncc1[N+](=O)[O-] ZINC000080599170 349220881 /nfs/dbraw/zinc/22/08/81/349220881.db2.gz WANUUGNLBORIMI-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)ncc1[N+](=O)[O-] ZINC000080599170 349220883 /nfs/dbraw/zinc/22/08/83/349220883.db2.gz WANUUGNLBORIMI-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603091472 362958670 /nfs/dbraw/zinc/95/86/70/362958670.db2.gz XRMIQRPCVRHCMJ-CABZTGNLSA-N 1 2 250.254 0.867 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603091472 362958672 /nfs/dbraw/zinc/95/86/72/362958672.db2.gz XRMIQRPCVRHCMJ-CABZTGNLSA-N 1 2 250.254 0.867 20 5 CCBDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172182499 350964151 /nfs/dbraw/zinc/96/41/51/350964151.db2.gz UWVRGSWCFDQESL-AWEZNQCLSA-N 1 2 293.323 0.932 20 5 CCBDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172182499 350964153 /nfs/dbraw/zinc/96/41/53/350964153.db2.gz UWVRGSWCFDQESL-AWEZNQCLSA-N 1 2 293.323 0.932 20 5 CCBDLO O=[N+]([O-])c1ccccc1Cn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000603186945 362989946 /nfs/dbraw/zinc/98/99/46/362989946.db2.gz MWKHEFUGNPHRQR-GFCCVEGCSA-N 1 2 289.295 0.896 20 5 CCBDLO CC[C@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174865369 351108251 /nfs/dbraw/zinc/10/82/51/351108251.db2.gz JPDGWVPHEPXTRI-JTQLQIEISA-N 1 2 254.290 0.902 20 5 CCBDLO CC[C@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174865369 351108253 /nfs/dbraw/zinc/10/82/53/351108253.db2.gz JPDGWVPHEPXTRI-JTQLQIEISA-N 1 2 254.290 0.902 20 5 CCBDLO O=C1NC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000175884789 351147625 /nfs/dbraw/zinc/14/76/25/351147625.db2.gz ZKDASIPSHVBBBH-LBPRGKRZSA-N 1 2 276.296 0.804 20 5 CCBDLO O=C1NC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCN12 ZINC000175884789 351147626 /nfs/dbraw/zinc/14/76/26/351147626.db2.gz ZKDASIPSHVBBBH-LBPRGKRZSA-N 1 2 276.296 0.804 20 5 CCBDLO COC(=O)[C@@]1(C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000186377252 351492992 /nfs/dbraw/zinc/49/29/92/351492992.db2.gz CKFVHGIHRBYBBN-GFCCVEGCSA-N 1 2 282.300 0.819 20 5 CCBDLO COC(=O)[C@@]1(C)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000186377252 351492995 /nfs/dbraw/zinc/49/29/95/351492995.db2.gz CKFVHGIHRBYBBN-GFCCVEGCSA-N 1 2 282.300 0.819 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186524597 351500710 /nfs/dbraw/zinc/50/07/10/351500710.db2.gz JSSWYCQBGGYDNW-IUCAKERBSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186524597 351500713 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CCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823112839 641739233 /nfs/dbraw/zinc/73/92/33/641739233.db2.gz PISQREZQQDERFS-LLVKDONJSA-N 1 2 287.360 0.659 20 5 CCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823112839 641739238 /nfs/dbraw/zinc/73/92/38/641739238.db2.gz PISQREZQQDERFS-LLVKDONJSA-N 1 2 287.360 0.659 20 5 CCBDLO C[C@@]12COC[C@@H]1C[N@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000853566846 644122177 /nfs/dbraw/zinc/12/21/77/644122177.db2.gz SAFHQTKGDPFUBA-GXSJLCMTSA-N 1 2 252.274 0.717 20 5 CCBDLO C[C@@]12COC[C@@H]1C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000853566846 644122180 /nfs/dbraw/zinc/12/21/80/644122180.db2.gz SAFHQTKGDPFUBA-GXSJLCMTSA-N 1 2 252.274 0.717 20 5 CCBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748835 646838374 /nfs/dbraw/zinc/83/83/74/646838374.db2.gz KZWNSQVZKYBDFR-OLZOCXBDSA-N 1 2 296.323 0.921 20 5 CCBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748835 646838375 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CC[C@@H](C[NH+]1CCOCC1)Nc1nn(C)cc1[N+](=O)[O-] ZINC001307214207 908295878 /nfs/dbraw/zinc/29/58/78/908295878.db2.gz ZIEDMZWKVSCHHH-JTQLQIEISA-N 1 2 283.332 0.851 20 5 CCBDLO CC(C)(COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])n1cc[nH+]c1 ZINC001344112876 923552707 /nfs/dbraw/zinc/55/27/07/923552707.db2.gz YDYMABOCMARPII-RKDXNWHRSA-N 1 2 253.258 0.827 20 5 CCBDLO Cn1cc[nH+]c1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001347711107 924517496 /nfs/dbraw/zinc/51/74/96/924517496.db2.gz JGWUYQCZJNNFEH-UHFFFAOYSA-N 1 2 275.268 0.696 20 5 CCBDLO NC(=O)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092753950 349504655 /nfs/dbraw/zinc/50/46/55/349504655.db2.gz GOHHIYBGNPPWKR-UHFFFAOYSA-N 1 2 294.311 0.887 20 5 CCBDLO NC(=O)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092753950 349504656 /nfs/dbraw/zinc/50/46/56/349504656.db2.gz GOHHIYBGNPPWKR-UHFFFAOYSA-N 1 2 294.311 0.887 20 5 CCBDLO NC(=O)C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599663858 361777845 /nfs/dbraw/zinc/77/78/45/361777845.db2.gz 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CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602916519 362884956 /nfs/dbraw/zinc/88/49/56/362884956.db2.gz GTNNPCFLOVPNMS-LBPRGKRZSA-N 1 2 295.343 0.819 20 5 CCBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602916519 362884959 /nfs/dbraw/zinc/88/49/59/362884959.db2.gz GTNNPCFLOVPNMS-LBPRGKRZSA-N 1 2 295.343 0.819 20 5 CCBDLO O=C(CC[N@@H+]1CCNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000045799561 348343612 /nfs/dbraw/zinc/34/36/12/348343612.db2.gz INWKJERPFHKXSX-UHFFFAOYSA-N 1 2 292.295 0.355 20 5 CCBDLO O=C(CC[N@H+]1CCNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000045799561 348343615 /nfs/dbraw/zinc/34/36/15/348343615.db2.gz INWKJERPFHKXSX-UHFFFAOYSA-N 1 2 292.295 0.355 20 5 CCBDLO Cc1c[nH+]ccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347220154 137325824 /nfs/dbraw/zinc/32/58/24/137325824.db2.gz MIQHOXISIFMIKO-UHFFFAOYSA-N 1 2 261.241 0.706 20 5 CCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C1 ZINC000074325413 348986249 /nfs/dbraw/zinc/98/62/49/348986249.db2.gz MUPQXQYFMQDJRU-NXEZZACHSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)C1 ZINC000074325413 348986251 /nfs/dbraw/zinc/98/62/51/348986251.db2.gz MUPQXQYFMQDJRU-NXEZZACHSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C1 ZINC000074325409 348986354 /nfs/dbraw/zinc/98/63/54/348986354.db2.gz MUPQXQYFMQDJRU-VHSXEESVSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)C1 ZINC000074325409 348986356 /nfs/dbraw/zinc/98/63/56/348986356.db2.gz MUPQXQYFMQDJRU-VHSXEESVSA-N 1 2 279.296 0.988 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000091673982 180225574 /nfs/dbraw/zinc/22/55/74/180225574.db2.gz KVKIYRFBOFRSHB-SECBINFHSA-N 1 2 253.262 0.127 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000091673982 180225577 /nfs/dbraw/zinc/22/55/77/180225577.db2.gz KVKIYRFBOFRSHB-SECBINFHSA-N 1 2 253.262 0.127 20 5 CCBDLO C[C@H](O)C[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351960089 137462147 /nfs/dbraw/zinc/46/21/47/137462147.db2.gz TZTMRZVPBSZYQU-VIFPVBQESA-N 1 2 272.276 0.909 20 5 CCBDLO C[C@H](O)C[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351960089 137462148 /nfs/dbraw/zinc/46/21/48/137462148.db2.gz TZTMRZVPBSZYQU-VIFPVBQESA-N 1 2 272.276 0.909 20 5 CCBDLO CCc1n[nH]c(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171805856 350935918 /nfs/dbraw/zinc/93/59/18/350935918.db2.gz WLLUCHBSPAAIBC-UHFFFAOYSA-N 1 2 293.327 0.801 20 5 CCBDLO CCc1[nH]nc(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171805856 350935919 /nfs/dbraw/zinc/93/59/19/350935919.db2.gz WLLUCHBSPAAIBC-UHFFFAOYSA-N 1 2 293.327 0.801 20 5 CCBDLO CCOC(=O)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218989 351161336 /nfs/dbraw/zinc/16/13/36/351161336.db2.gz RYWZHGCVHOERDC-UHFFFAOYSA-N 1 2 256.262 0.286 20 5 CCBDLO CCOC(=O)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218989 351161338 /nfs/dbraw/zinc/16/13/38/351161338.db2.gz RYWZHGCVHOERDC-UHFFFAOYSA-N 1 2 256.262 0.286 20 5 CCBDLO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000188751595 351624701 /nfs/dbraw/zinc/62/47/01/351624701.db2.gz OFPKWUFFHMPURQ-LLVKDONJSA-N 1 2 293.323 0.733 20 5 CCBDLO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000188751595 351624704 /nfs/dbraw/zinc/62/47/04/351624704.db2.gz OFPKWUFFHMPURQ-LLVKDONJSA-N 1 2 293.323 0.733 20 5 CCBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000192707804 351794480 /nfs/dbraw/zinc/79/44/80/351794480.db2.gz BDEDZGCIAYGDGX-LLVKDONJSA-N 1 2 294.359 0.531 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230017474 352100733 /nfs/dbraw/zinc/10/07/33/352100733.db2.gz RLQGJEACSOUAQE-GXSJLCMTSA-N 1 2 284.316 0.181 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230017474 352100735 /nfs/dbraw/zinc/10/07/35/352100735.db2.gz RLQGJEACSOUAQE-GXSJLCMTSA-N 1 2 284.316 0.181 20 5 CCBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000236529331 352196787 /nfs/dbraw/zinc/19/67/87/352196787.db2.gz GEUDYQXPAVAKAY-GHMZBOCLSA-N 1 2 272.688 0.786 20 5 CCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882747 358486114 /nfs/dbraw/zinc/48/61/14/358486114.db2.gz HLSICICHIGJEIA-JTQLQIEISA-N 1 2 294.311 0.440 20 5 CCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882747 358486119 /nfs/dbraw/zinc/48/61/19/358486119.db2.gz HLSICICHIGJEIA-JTQLQIEISA-N 1 2 294.311 0.440 20 5 CCBDLO Cc1nn(CC[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000331324181 354535378 /nfs/dbraw/zinc/53/53/78/354535378.db2.gz MAINXPIXNWRURA-VIFPVBQESA-N 1 2 254.290 0.820 20 5 CCBDLO Cc1nn(CC[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000331324181 354535382 /nfs/dbraw/zinc/53/53/82/354535382.db2.gz MAINXPIXNWRURA-VIFPVBQESA-N 1 2 254.290 0.820 20 5 CCBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332295061 354641267 /nfs/dbraw/zinc/64/12/67/354641267.db2.gz YPWFRGCCPYSGBA-OLZOCXBDSA-N 1 2 291.307 0.750 20 5 CCBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332295061 354641272 /nfs/dbraw/zinc/64/12/72/354641272.db2.gz YPWFRGCCPYSGBA-OLZOCXBDSA-N 1 2 291.307 0.750 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000332642274 354709229 /nfs/dbraw/zinc/70/92/29/354709229.db2.gz BCFUUWLVUYTSFA-VIFPVBQESA-N 1 2 294.233 0.827 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000332642274 354709233 /nfs/dbraw/zinc/70/92/33/354709233.db2.gz BCFUUWLVUYTSFA-VIFPVBQESA-N 1 2 294.233 0.827 20 5 CCBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000532137782 358496745 /nfs/dbraw/zinc/49/67/45/358496745.db2.gz VQMCKBMMPUFHLU-JTQLQIEISA-N 1 2 294.311 0.440 20 5 CCBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000532137782 358496748 /nfs/dbraw/zinc/49/67/48/358496748.db2.gz VQMCKBMMPUFHLU-JTQLQIEISA-N 1 2 294.311 0.440 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H](C)[NH+]1CCOCC1 ZINC000273589035 192218010 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Cc1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000584761280 359201084 /nfs/dbraw/zinc/20/10/84/359201084.db2.gz DGDSNWZPLRIXPN-PHIMTYICSA-N 1 2 266.301 0.963 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590053380 359420626 /nfs/dbraw/zinc/42/06/26/359420626.db2.gz UWOZOZXIHXACFJ-GDNZZTSVSA-N 1 2 264.281 0.971 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590053380 359420628 /nfs/dbraw/zinc/42/06/28/359420628.db2.gz UWOZOZXIHXACFJ-GDNZZTSVSA-N 1 2 264.281 0.971 20 5 CCBDLO Cc1nc(NCC2([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000296890045 200027239 /nfs/dbraw/zinc/02/72/39/200027239.db2.gz XXTIIACYMDVLCD-UHFFFAOYSA-N 1 2 293.327 0.970 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592558367 359888708 /nfs/dbraw/zinc/88/87/08/359888708.db2.gz JIEWWMOCCDGNTB-VROVMSAKSA-N 1 2 263.253 0.704 20 5 CCBDLO NC(=O)[C@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000594035721 360239978 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C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)CO1 ZINC000597994590 361302839 /nfs/dbraw/zinc/30/28/39/361302839.db2.gz CAHBWVXDDKZDCG-UWVGGRQHSA-N 1 2 296.327 0.762 20 5 CCBDLO C[C@@H]1C[N@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597997094 361305072 /nfs/dbraw/zinc/30/50/72/361305072.db2.gz LBKPUDYPUGIKRW-RKDXNWHRSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](C)CO1 ZINC000597997094 361305076 /nfs/dbraw/zinc/30/50/76/361305076.db2.gz LBKPUDYPUGIKRW-RKDXNWHRSA-N 1 2 297.315 0.157 20 5 CCBDLO CNS(=O)(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000598586864 361448945 /nfs/dbraw/zinc/44/89/45/361448945.db2.gz JKSCMXRHDVZBAM-UHFFFAOYSA-N 1 2 287.341 0.576 20 5 CCBDLO CNS(=O)(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000598586864 361448953 /nfs/dbraw/zinc/44/89/53/361448953.db2.gz JKSCMXRHDVZBAM-UHFFFAOYSA-N 1 2 287.341 0.576 20 5 CCBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598738695 361503420 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O=C1NCCC12CC[NH+](Cn1nccc1[N+](=O)[O-])CC2 ZINC000872788517 646325480 /nfs/dbraw/zinc/32/54/80/646325480.db2.gz MLTLAHXOOVUULS-UHFFFAOYSA-N 1 2 279.300 0.351 20 5 CCBDLO O=[N+]([O-])CC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000929240396 648718947 /nfs/dbraw/zinc/71/89/47/648718947.db2.gz YDIMSNHSVRQPKC-UHFFFAOYSA-N 1 2 251.286 0.791 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001150609498 800350987 /nfs/dbraw/zinc/35/09/87/800350987.db2.gz YZEMGQRHOWBEMN-SECBINFHSA-N 1 2 291.267 0.698 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(OC)c([N+](=O)[O-])cn2)C[NH2+]1 ZINC001158254088 801603919 /nfs/dbraw/zinc/60/39/19/801603919.db2.gz MRBMQYRJTGFNMQ-SFYZADRCSA-N 1 2 296.283 0.314 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNc1cccc([N+](=O)[O-])n1 ZINC001158702423 801686815 /nfs/dbraw/zinc/68/68/15/801686815.db2.gz RBHGLYMILREWNN-SECBINFHSA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNc1cccc([N+](=O)[O-])n1 ZINC001158702423 801686819 /nfs/dbraw/zinc/68/68/19/801686819.db2.gz RBHGLYMILREWNN-SECBINFHSA-N 1 2 252.274 0.732 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1cc([N+](=O)[O-])ccn1 ZINC001161945252 802252437 /nfs/dbraw/zinc/25/24/37/802252437.db2.gz HBXVXNCNRPUVNH-MRVPVSSYSA-N 1 2 254.246 0.292 20 5 CCBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001162848262 802427237 /nfs/dbraw/zinc/42/72/37/802427237.db2.gz BOVJWKOZBVTBNN-VIFPVBQESA-N 1 2 298.299 0.309 20 5 CCBDLO COc1cc(OC[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001226581479 805250301 /nfs/dbraw/zinc/25/03/01/805250301.db2.gz RGTAAARZORXDRP-SECBINFHSA-N 1 2 283.284 0.708 20 5 CCBDLO COc1cc(OC[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001226581479 805250306 /nfs/dbraw/zinc/25/03/06/805250306.db2.gz RGTAAARZORXDRP-SECBINFHSA-N 1 2 283.284 0.708 20 5 CCBDLO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2nc[nH]c21 ZINC001227068976 805319820 /nfs/dbraw/zinc/31/98/20/805319820.db2.gz CQAKLJWIQADTOA-SSDOTTSWSA-O 1 2 252.298 0.532 20 5 CCBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3ncncc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228654391 805464123 /nfs/dbraw/zinc/46/41/23/805464123.db2.gz JYZRNCZRKTUGKZ-NMLBEHRDSA-N 1 2 278.268 0.568 20 5 CCBDLO C[N@H+]1[C@@H]2C[C@H](Oc3ncncc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228654391 805464126 /nfs/dbraw/zinc/46/41/26/805464126.db2.gz JYZRNCZRKTUGKZ-NMLBEHRDSA-N 1 2 278.268 0.568 20 5 CCBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC001254559585 808259584 /nfs/dbraw/zinc/25/95/84/808259584.db2.gz LFBQUUHTZFBMAY-GWCFXTLKSA-N 1 2 293.323 0.712 20 5 CCBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C(N)=O)C1 ZINC001254559585 808259590 /nfs/dbraw/zinc/25/95/90/808259590.db2.gz LFBQUUHTZFBMAY-GWCFXTLKSA-N 1 2 293.323 0.712 20 5 CCBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(O)(CO)CC1 ZINC001262077718 809185490 /nfs/dbraw/zinc/18/54/90/809185490.db2.gz MGPRVWDXKONNPY-UHFFFAOYSA-N 1 2 267.285 0.309 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157933284 837732457 /nfs/dbraw/zinc/73/24/57/837732457.db2.gz RCPGQHCUDUOPDK-UHFFFAOYSA-N 1 2 287.239 0.283 20 5 CCBDLO CCOCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835855 836935959 /nfs/dbraw/zinc/93/59/59/836935959.db2.gz QYGFVVJNJJVCHT-VXGBXAGGSA-N 1 2 285.344 0.222 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000687591440 849114698 /nfs/dbraw/zinc/11/46/98/849114698.db2.gz HPRCSCWQRZPDBI-GFCCVEGCSA-N 1 2 279.296 0.343 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000687591440 849114699 /nfs/dbraw/zinc/11/46/99/849114699.db2.gz HPRCSCWQRZPDBI-GFCCVEGCSA-N 1 2 279.296 0.343 20 5 CCBDLO Cc1cncc([N+](=O)[O-])c1N1CCC[N@H+](CC(N)=O)CC1 ZINC001117284088 855937472 /nfs/dbraw/zinc/93/74/72/855937472.db2.gz AGNRKGDIBSZORJ-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO Cc1cncc([N+](=O)[O-])c1N1CCC[N@@H+](CC(N)=O)CC1 ZINC001117284088 855937477 /nfs/dbraw/zinc/93/74/77/855937477.db2.gz AGNRKGDIBSZORJ-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO O=C(NC/C=C/C[NH2+]Cc1nccs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483006988 894794685 /nfs/dbraw/zinc/79/46/85/894794685.db2.gz CLXLZSCFQBKHEX-UFLMBTITSA-N 1 2 296.352 0.570 20 5 CCBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001294284567 906576269 /nfs/dbraw/zinc/57/62/69/906576269.db2.gz XIKLKTSUFWMXHO-LBPRGKRZSA-N 1 2 290.279 0.976 20 5 CCBDLO Cc1n[nH]c(C(=O)NCCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC001318923598 909924954 /nfs/dbraw/zinc/92/49/54/909924954.db2.gz FVDWBUFSXOKAFX-UHFFFAOYSA-N 1 2 264.245 0.322 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001334123277 919382239 /nfs/dbraw/zinc/38/22/39/919382239.db2.gz JJFAKFODNTZAMW-UHFFFAOYSA-N 1 2 296.375 0.766 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCn2c[nH+]cc2C1 ZINC001336495488 920803234 /nfs/dbraw/zinc/80/32/34/920803234.db2.gz BRLAGWPIQCETSD-UHFFFAOYSA-N 1 2 290.283 0.339 20 5 CCBDLO Cc1nn(C[N@H+]2CCC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC001349957768 925105662 /nfs/dbraw/zinc/10/56/62/925105662.db2.gz FNHIEIGCPLKEOI-MWLCHTKSSA-N 1 2 254.290 0.902 20 5 CCBDLO Cc1nn(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC001349957768 925105668 /nfs/dbraw/zinc/10/56/68/925105668.db2.gz FNHIEIGCPLKEOI-MWLCHTKSSA-N 1 2 254.290 0.902 20 5 CCBDLO Cc1noc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000599600819 361757117 /nfs/dbraw/zinc/75/71/17/361757117.db2.gz GLGUQSGPLTYPPR-VIFPVBQESA-N 1 2 282.300 0.944 20 5 CCBDLO Cc1noc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000599600819 361757120 /nfs/dbraw/zinc/75/71/20/361757120.db2.gz GLGUQSGPLTYPPR-VIFPVBQESA-N 1 2 282.300 0.944 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000094775842 349574035 /nfs/dbraw/zinc/57/40/35/349574035.db2.gz BLRUCEVOWSVPSV-PHIMTYICSA-N 1 2 256.233 0.271 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000094775842 349574037 /nfs/dbraw/zinc/57/40/37/349574037.db2.gz BLRUCEVOWSVPSV-PHIMTYICSA-N 1 2 256.233 0.271 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600419354 361954925 /nfs/dbraw/zinc/95/49/25/361954925.db2.gz GZNWIKGROOBCRW-GFCCVEGCSA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600419354 361954931 /nfs/dbraw/zinc/95/49/31/361954931.db2.gz GZNWIKGROOBCRW-GFCCVEGCSA-N 1 2 293.323 0.964 20 5 CCBDLO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600810569 362067416 /nfs/dbraw/zinc/06/74/16/362067416.db2.gz ZZBRWPYTPFYMJQ-JTQLQIEISA-N 1 2 295.295 0.097 20 5 CCBDLO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600810569 362067420 /nfs/dbraw/zinc/06/74/20/362067420.db2.gz ZZBRWPYTPFYMJQ-JTQLQIEISA-N 1 2 295.295 0.097 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1N[C@@H](CO)C[NH+]1CCOCC1 ZINC000601177652 362168441 /nfs/dbraw/zinc/16/84/41/362168441.db2.gz YPQVUJWDJJNSGV-LLVKDONJSA-N 1 2 299.302 0.839 20 5 CCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC3(C2)CCCO3)c1 ZINC000601964906 362440570 /nfs/dbraw/zinc/44/05/70/362440570.db2.gz RWLXUTGRLPNVGQ-LLVKDONJSA-N 1 2 282.300 0.017 20 5 CCBDLO COC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000119132002 349920301 /nfs/dbraw/zinc/92/03/01/349920301.db2.gz DFQYZBXRRDQNHS-JTQLQIEISA-N 1 2 284.316 0.969 20 5 CCBDLO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c([N+](=O)[O-])n1 ZINC000602444681 362621429 /nfs/dbraw/zinc/62/14/29/362621429.db2.gz NHTRFQNRVFKDEB-NSHDSACASA-N 1 2 293.327 0.571 20 5 CCBDLO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c([N+](=O)[O-])n1 ZINC000602444681 362621436 /nfs/dbraw/zinc/62/14/36/362621436.db2.gz NHTRFQNRVFKDEB-NSHDSACASA-N 1 2 293.327 0.571 20 5 CCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573739549 334962346 /nfs/dbraw/zinc/96/23/46/334962346.db2.gz QGWRDSNQFAPQPR-QMMMGPOBSA-N 1 2 290.283 0.417 20 5 CCBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CCO2 ZINC000602648926 362731850 /nfs/dbraw/zinc/73/18/50/362731850.db2.gz PPJBAOVEYBIHIV-ZWNOBZJWSA-N 1 2 296.327 0.708 20 5 CCBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CCO2 ZINC000602648926 362731854 /nfs/dbraw/zinc/73/18/54/362731854.db2.gz PPJBAOVEYBIHIV-ZWNOBZJWSA-N 1 2 296.327 0.708 20 5 CCBDLO Cn1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000602799504 362807763 /nfs/dbraw/zinc/80/77/63/362807763.db2.gz PWBQPPJJPYBMAL-LLVKDONJSA-N 1 2 266.301 0.939 20 5 CCBDLO Cn1cc(C[N@H+]2CCOC[C@@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000602799504 362807769 /nfs/dbraw/zinc/80/77/69/362807769.db2.gz PWBQPPJJPYBMAL-LLVKDONJSA-N 1 2 266.301 0.939 20 5 CCBDLO O=C1CC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000346444061 137287049 /nfs/dbraw/zinc/28/70/49/137287049.db2.gz BDRVBOIPCUEFSC-JTQLQIEISA-N 1 2 279.300 0.098 20 5 CCBDLO O=C1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN12 ZINC000346444061 137287050 /nfs/dbraw/zinc/28/70/50/137287050.db2.gz BDRVBOIPCUEFSC-JTQLQIEISA-N 1 2 279.300 0.098 20 5 CCBDLO Nc1c(C(=O)NCCn2cc[nH+]c2)cc(F)cc1[N+](=O)[O-] ZINC000058133746 348621621 /nfs/dbraw/zinc/62/16/21/348621621.db2.gz OWVGFFXHOIHIFB-UHFFFAOYSA-N 1 2 293.258 0.943 20 5 CCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NCCCCn1cc[nH+]c1 ZINC000065515654 348720511 /nfs/dbraw/zinc/72/05/11/348720511.db2.gz GIDZYCRHRCDFDX-UHFFFAOYSA-N 1 2 292.299 0.584 20 5 CCBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000074325675 348986481 /nfs/dbraw/zinc/98/64/81/348986481.db2.gz BCLSHKJRNDGIFM-SECBINFHSA-N 1 2 295.295 0.609 20 5 CCBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000074325675 348986484 /nfs/dbraw/zinc/98/64/84/348986484.db2.gz BCLSHKJRNDGIFM-SECBINFHSA-N 1 2 295.295 0.609 20 5 CCBDLO COC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000079501326 349181037 /nfs/dbraw/zinc/18/10/37/349181037.db2.gz CRQRELSRBHPWMG-UHFFFAOYSA-N 1 2 268.273 0.429 20 5 CCBDLO COC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000079501326 349181040 /nfs/dbraw/zinc/18/10/40/349181040.db2.gz CRQRELSRBHPWMG-UHFFFAOYSA-N 1 2 268.273 0.429 20 5 CCBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000182252428 351353847 /nfs/dbraw/zinc/35/38/47/351353847.db2.gz HTGVTLQJKCABBC-JTQLQIEISA-N 1 2 282.300 0.819 20 5 CCBDLO CCOC(=O)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000182252428 351353850 /nfs/dbraw/zinc/35/38/50/351353850.db2.gz HTGVTLQJKCABBC-JTQLQIEISA-N 1 2 282.300 0.819 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC000246818656 352384201 /nfs/dbraw/zinc/38/42/01/352384201.db2.gz DKTPDYMFYHWINI-VXGBXAGGSA-N 1 2 296.327 0.671 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC000246818656 352384202 /nfs/dbraw/zinc/38/42/02/352384202.db2.gz DKTPDYMFYHWINI-VXGBXAGGSA-N 1 2 296.327 0.671 20 5 CCBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccon1 ZINC000267036094 352739923 /nfs/dbraw/zinc/73/99/23/352739923.db2.gz BXVGTECKZWJVMA-UHFFFAOYSA-N 1 2 251.246 0.911 20 5 CCBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccon1 ZINC000267036094 352739925 /nfs/dbraw/zinc/73/99/25/352739925.db2.gz BXVGTECKZWJVMA-UHFFFAOYSA-N 1 2 251.246 0.911 20 5 CCBDLO COC(=O)C(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000267115251 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DOLMJEBYGMOAOK-TXEJJXNPSA-N 1 2 299.371 0.801 20 5 CCBDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000877749314 617251218 /nfs/dbraw/zinc/25/12/18/617251218.db2.gz RLPOVMPVMRFVRH-NEPJUHHUSA-N 1 2 282.296 0.531 20 5 CCBDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000877749314 617251219 /nfs/dbraw/zinc/25/12/19/617251219.db2.gz RLPOVMPVMRFVRH-NEPJUHHUSA-N 1 2 282.296 0.531 20 5 CCBDLO CC[NH2+]Cc1noc(CCn2cc([N+](=O)[O-])nc2C)n1 ZINC000843141361 615103225 /nfs/dbraw/zinc/10/32/25/615103225.db2.gz MCWCCRTZNBEPPP-UHFFFAOYSA-N 1 2 280.288 0.835 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1CO ZINC000913548255 616229857 /nfs/dbraw/zinc/22/98/57/616229857.db2.gz ISSHGPSCYRXRRR-LBPRGKRZSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1CO ZINC000913548255 616229858 /nfs/dbraw/zinc/22/98/58/616229858.db2.gz ISSHGPSCYRXRRR-LBPRGKRZSA-N 1 2 297.286 0.482 20 5 CCBDLO CC(=O)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000062351124 623368922 /nfs/dbraw/zinc/36/89/22/623368922.db2.gz RGMURKRIJGUDFU-AWEZNQCLSA-N 1 2 293.323 0.792 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802234852 634959500 /nfs/dbraw/zinc/95/95/00/634959500.db2.gz SONWTLDSOCZTEV-SNVBAGLBSA-N 1 2 286.263 0.378 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802234852 634959505 /nfs/dbraw/zinc/95/95/05/634959505.db2.gz SONWTLDSOCZTEV-SNVBAGLBSA-N 1 2 286.263 0.378 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912749447 636668599 /nfs/dbraw/zinc/66/85/99/636668599.db2.gz ZLNFMOLFTUWHSC-LLVKDONJSA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912749447 636668601 /nfs/dbraw/zinc/66/86/01/636668601.db2.gz ZLNFMOLFTUWHSC-LLVKDONJSA-N 1 2 294.311 0.047 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921414528 638179587 /nfs/dbraw/zinc/17/95/87/638179587.db2.gz PFVIKBWZYNFDIC-NSHDSACASA-N 1 2 299.352 0.886 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921414528 638179591 /nfs/dbraw/zinc/17/95/91/638179591.db2.gz PFVIKBWZYNFDIC-NSHDSACASA-N 1 2 299.352 0.886 20 5 CCBDLO C[C@H](C[N+](=O)[O-])OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000814035521 641053840 /nfs/dbraw/zinc/05/38/40/641053840.db2.gz OLFCXIBYZPYUAE-RKDXNWHRSA-N 1 2 262.331 0.632 20 5 CCBDLO C[C@H](C[N+](=O)[O-])OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000814035521 641053842 /nfs/dbraw/zinc/05/38/42/641053842.db2.gz OLFCXIBYZPYUAE-RKDXNWHRSA-N 1 2 262.331 0.632 20 5 CCBDLO CC[C@@H](C)[C@@H]1C[N@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000930080338 648820067 /nfs/dbraw/zinc/82/00/67/648820067.db2.gz POBKYYINUKIRQS-NEPJUHHUSA-N 1 2 288.348 0.572 20 5 CCBDLO CC[C@@H](C)[C@@H]1C[N@@H+](CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000930080338 648820069 /nfs/dbraw/zinc/82/00/69/648820069.db2.gz POBKYYINUKIRQS-NEPJUHHUSA-N 1 2 288.348 0.572 20 5 CCBDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000930831183 648912776 /nfs/dbraw/zinc/91/27/76/648912776.db2.gz NAFKUEWJLSZWCC-AEJSXWLSSA-N 1 2 281.316 0.389 20 5 CCBDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000930831183 648912780 /nfs/dbraw/zinc/91/27/80/648912780.db2.gz NAFKUEWJLSZWCC-AEJSXWLSSA-N 1 2 281.316 0.389 20 5 CCBDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1C ZINC001157770898 801479047 /nfs/dbraw/zinc/47/90/47/801479047.db2.gz VCGZKNPKIJTLQA-LLVKDONJSA-N 1 2 294.311 0.592 20 5 CCBDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1C ZINC001157770898 801479051 /nfs/dbraw/zinc/47/90/51/801479051.db2.gz VCGZKNPKIJTLQA-LLVKDONJSA-N 1 2 294.311 0.592 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001161950358 802257524 /nfs/dbraw/zinc/25/75/24/802257524.db2.gz NHEYWULCIZBMEB-SSDOTTSWSA-N 1 2 288.691 0.946 20 5 CCBDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc([N+](=O)[O-])nc1 ZINC001203560737 803034315 /nfs/dbraw/zinc/03/43/15/803034315.db2.gz ODVCNHZPRWBMEG-UHFFFAOYSA-N 1 2 277.240 0.934 20 5 CCBDLO O=C(NCC[NH2+]Cc1c(F)cccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932209 815308379 /nfs/dbraw/zinc/30/83/79/815308379.db2.gz MHSYGROMPSHXQK-PRHODGIISA-N 1 2 299.277 0.836 20 5 CCBDLO COc1cc(OC[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001226581480 814052511 /nfs/dbraw/zinc/05/25/11/814052511.db2.gz RGTAAARZORXDRP-VIFPVBQESA-N 1 2 283.284 0.708 20 5 CCBDLO COc1cc(OC[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001226581480 814052514 /nfs/dbraw/zinc/05/25/14/814052514.db2.gz RGTAAARZORXDRP-VIFPVBQESA-N 1 2 283.284 0.708 20 5 CCBDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nccc(C)c1[N+](=O)[O-] ZINC001157770493 837417729 /nfs/dbraw/zinc/41/77/29/837417729.db2.gz KQEOIUBPANDHIO-SNVBAGLBSA-N 1 2 294.311 0.592 20 5 CCBDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nccc(C)c1[N+](=O)[O-] ZINC001157770493 837417735 /nfs/dbraw/zinc/41/77/35/837417735.db2.gz KQEOIUBPANDHIO-SNVBAGLBSA-N 1 2 294.311 0.592 20 5 CCBDLO CC(C)(C)OC(=O)[C@H](CO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985837 836081111 /nfs/dbraw/zinc/08/11/11/836081111.db2.gz VCCUYCGBXMUBDQ-MXWKQRLJSA-N 1 2 288.344 0.724 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001175570345 842260814 /nfs/dbraw/zinc/26/08/14/842260814.db2.gz WXEGZYSWFCBEMN-PHIMTYICSA-N 1 2 282.296 0.333 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001175570345 842260821 /nfs/dbraw/zinc/26/08/21/842260821.db2.gz WXEGZYSWFCBEMN-PHIMTYICSA-N 1 2 282.296 0.333 20 5 CCBDLO O=C(CCn1cc[nH+]c1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303573117 908097987 /nfs/dbraw/zinc/09/79/87/908097987.db2.gz CPDVCFJZOYXKOU-UHFFFAOYSA-N 1 2 250.218 0.543 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001305934040 908229200 /nfs/dbraw/zinc/22/92/00/908229200.db2.gz NLNIAMOBWMFZAC-VXGBXAGGSA-N 1 2 278.312 0.856 20 5 CCBDLO COC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001308067612 908375688 /nfs/dbraw/zinc/37/56/88/908375688.db2.gz IHRKIPVHQXDJKS-VIFPVBQESA-N 1 2 283.288 0.259 20 5 CCBDLO COC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001308067612 908375699 /nfs/dbraw/zinc/37/56/99/908375699.db2.gz IHRKIPVHQXDJKS-VIFPVBQESA-N 1 2 283.288 0.259 20 5 CCBDLO O=c1c([N+](=O)[O-])cn(CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001320264318 910564301 /nfs/dbraw/zinc/56/43/01/910564301.db2.gz VFPFNLFEHFYMJJ-UHFFFAOYSA-N 1 2 293.239 0.952 20 5 CCBDLO Cn1cc(C[N@@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])n1 ZINC001330657532 916772981 /nfs/dbraw/zinc/77/29/81/916772981.db2.gz MGIRUZLIFLRHNZ-LLVKDONJSA-N 1 2 252.274 0.693 20 5 CCBDLO Cn1cc(C[N@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])n1 ZINC001330657532 916772989 /nfs/dbraw/zinc/77/29/89/916772989.db2.gz MGIRUZLIFLRHNZ-LLVKDONJSA-N 1 2 252.274 0.693 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCc1[nH+]ccn1C ZINC001348074582 924591607 /nfs/dbraw/zinc/59/16/07/924591607.db2.gz BFSBZFGYIMBRFC-UHFFFAOYSA-N 1 2 292.299 0.192 20 5 CCBDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000116891081 349876291 /nfs/dbraw/zinc/87/62/91/349876291.db2.gz DJMKZHOWRGIREA-NSHDSACASA-N 1 2 299.352 0.718 20 5 CCBDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000116891081 349876294 /nfs/dbraw/zinc/87/62/94/349876294.db2.gz DJMKZHOWRGIREA-NSHDSACASA-N 1 2 299.352 0.718 20 5 CCBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000116891080 349876325 /nfs/dbraw/zinc/87/63/25/349876325.db2.gz DJMKZHOWRGIREA-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000116891080 349876326 /nfs/dbraw/zinc/87/63/26/349876326.db2.gz DJMKZHOWRGIREA-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602454591 362625721 /nfs/dbraw/zinc/62/57/21/362625721.db2.gz NXLVHTAGFAMRGT-SECBINFHSA-N 1 2 267.289 0.039 20 5 CCBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602454591 362625730 /nfs/dbraw/zinc/62/57/30/362625730.db2.gz NXLVHTAGFAMRGT-SECBINFHSA-N 1 2 267.289 0.039 20 5 CCBDLO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cn(C)nn1 ZINC000602804762 362808625 /nfs/dbraw/zinc/80/86/25/362808625.db2.gz JVNGQMCZRSFNIK-UHFFFAOYSA-N 1 2 293.331 0.750 20 5 CCBDLO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cn(C)nn1 ZINC000602804762 362808629 /nfs/dbraw/zinc/80/86/29/362808629.db2.gz JVNGQMCZRSFNIK-UHFFFAOYSA-N 1 2 293.331 0.750 20 5 CCBDLO COC(=O)[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602817696 362817502 /nfs/dbraw/zinc/81/75/02/362817502.db2.gz YNRSXWCBKRZKSV-NSHDSACASA-N 1 2 282.300 0.641 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000602827133 362822514 /nfs/dbraw/zinc/82/25/14/362822514.db2.gz PYGYOYCJQUHPOS-CYBMUJFWSA-N 1 2 296.327 0.591 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@]12CCOC2 ZINC000602827133 362822521 /nfs/dbraw/zinc/82/25/21/362822521.db2.gz PYGYOYCJQUHPOS-CYBMUJFWSA-N 1 2 296.327 0.591 20 5 CCBDLO COC(=O)[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000043442012 348309212 /nfs/dbraw/zinc/30/92/12/348309212.db2.gz BPWJSXBLPGFKPJ-LLVKDONJSA-N 1 2 284.316 0.887 20 5 CCBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602916150 362885167 /nfs/dbraw/zinc/88/51/67/362885167.db2.gz QYTALDCPGYIRGR-JTQLQIEISA-N 1 2 281.316 0.381 20 5 CCBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602916150 362885172 /nfs/dbraw/zinc/88/51/72/362885172.db2.gz QYTALDCPGYIRGR-JTQLQIEISA-N 1 2 281.316 0.381 20 5 CCBDLO C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000347659654 137348294 /nfs/dbraw/zinc/34/82/94/137348294.db2.gz YUEMXZILRQSKCX-MRVPVSSYSA-N 1 2 277.284 0.867 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000061468741 348653809 /nfs/dbraw/zinc/65/38/09/348653809.db2.gz MIPZIXOHKPXFGB-UHFFFAOYSA-N 1 2 279.296 0.991 20 5 CCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCCn1cc[nH+]c1 ZINC000065780303 348726278 /nfs/dbraw/zinc/72/62/78/348726278.db2.gz WAMBAKAODVKOES-UHFFFAOYSA-N 1 2 278.272 0.194 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000070980473 348900921 /nfs/dbraw/zinc/90/09/21/348900921.db2.gz ZJPHSRHDFYZKDA-UHFFFAOYSA-N 1 2 264.245 0.173 20 5 CCBDLO O=[N+]([O-])c1cc(Cn2cc([C@@H]3COCC[NH2+]3)nn2)cs1 ZINC000603206852 362999941 /nfs/dbraw/zinc/99/99/41/362999941.db2.gz XBZJAWLZEJBRQD-JTQLQIEISA-N 1 2 295.324 0.957 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000234885195 352176719 /nfs/dbraw/zinc/17/67/19/352176719.db2.gz FCBHPEYWIGJTEE-QWRGUYRKSA-N 1 2 268.269 0.141 20 5 CCBDLO Cn1ccnc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000153284789 188074083 /nfs/dbraw/zinc/07/40/83/188074083.db2.gz NZJJEMHIAJKLHQ-UHFFFAOYSA-N 1 2 264.289 0.657 20 5 CCBDLO Cn1ccnc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000153284789 188074085 /nfs/dbraw/zinc/07/40/85/188074085.db2.gz NZJJEMHIAJKLHQ-UHFFFAOYSA-N 1 2 264.289 0.657 20 5 CCBDLO CN(CCn1cc([N+](=O)[O-])cn1)Cc1[nH+]ccn1C ZINC000153284789 188074086 /nfs/dbraw/zinc/07/40/86/188074086.db2.gz NZJJEMHIAJKLHQ-UHFFFAOYSA-N 1 2 264.289 0.657 20 5 CCBDLO CC1(C)C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000330392185 354342262 /nfs/dbraw/zinc/34/22/62/354342262.db2.gz GRUGGGZPVKOARA-UHFFFAOYSA-N 1 2 296.327 0.764 20 5 CCBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000330392185 354342265 /nfs/dbraw/zinc/34/22/65/354342265.db2.gz GRUGGGZPVKOARA-UHFFFAOYSA-N 1 2 296.327 0.764 20 5 CCBDLO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)S1=O ZINC000331153595 354469254 /nfs/dbraw/zinc/46/92/54/354469254.db2.gz IPUDNDKUEHMWFX-UWVGGRQHSA-N 1 2 286.357 0.633 20 5 CCBDLO Cn1[nH]c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1=O ZINC000338380651 355336254 /nfs/dbraw/zinc/33/62/54/355336254.db2.gz MJDCMGATOOIUFN-UHFFFAOYSA-N 1 2 291.311 0.691 20 5 CCBDLO Cn1[nH]c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1=O ZINC000338380651 355336260 /nfs/dbraw/zinc/33/62/60/355336260.db2.gz MJDCMGATOOIUFN-UHFFFAOYSA-N 1 2 291.311 0.691 20 5 CCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000558649078 291065176 /nfs/dbraw/zinc/06/51/76/291065176.db2.gz HNWJKQQBZQVEFO-UHFFFAOYSA-N 1 2 297.296 0.165 20 5 CCBDLO Cn1cc([C@@H](CO)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000339085523 355484714 /nfs/dbraw/zinc/48/47/14/355484714.db2.gz ODUCUFSYFFCJEX-GFCCVEGCSA-N 1 2 292.295 0.857 20 5 CCBDLO COc1cc[nH+]cc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000348310386 355910620 /nfs/dbraw/zinc/91/06/20/355910620.db2.gz SHVQEOOEKAKFOZ-UHFFFAOYSA-N 1 2 291.267 0.662 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1[nH]c[nH+]c1C ZINC000353130603 356161209 /nfs/dbraw/zinc/16/12/09/356161209.db2.gz UKPDUQSFNJSJGI-UHFFFAOYSA-N 1 2 292.299 0.838 20 5 CCBDLO O=[N+]([O-])c1cnc(SCC[NH+]2CCOCC2)nc1 ZINC000273592885 192222148 /nfs/dbraw/zinc/22/21/48/192222148.db2.gz HPXKAUJPVTZYJF-UHFFFAOYSA-N 1 2 270.314 0.809 20 5 CCBDLO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cn(C)nn1 ZINC000359649251 356864646 /nfs/dbraw/zinc/86/46/46/356864646.db2.gz LQBQGLMLYOELSB-UHFFFAOYSA-N 1 2 279.304 0.442 20 5 CCBDLO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cn(C)nn1 ZINC000359649251 356864647 /nfs/dbraw/zinc/86/46/47/356864647.db2.gz LQBQGLMLYOELSB-UHFFFAOYSA-N 1 2 279.304 0.442 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000365252361 357137625 /nfs/dbraw/zinc/13/76/25/357137625.db2.gz IOIATTYRLYOWJO-YNEHKIRRSA-N 1 2 297.355 0.365 20 5 CCBDLO [NH3+]CCOCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258603 359806688 /nfs/dbraw/zinc/80/66/88/359806688.db2.gz YHQIEQIFJLQGGP-UHFFFAOYSA-N 1 2 255.230 0.214 20 5 CCBDLO O=[N+]([O-])c1ccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)nc1 ZINC000594650511 360349785 /nfs/dbraw/zinc/34/97/85/360349785.db2.gz WIHWRPKOAPYRAG-JTQLQIEISA-N 1 2 276.256 0.231 20 5 CCBDLO C[N@H+](CCO)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594652607 360351684 /nfs/dbraw/zinc/35/16/84/360351684.db2.gz SJOUBSJKSXGQIH-UHFFFAOYSA-N 1 2 291.311 0.659 20 5 CCBDLO C[N@@H+](CCO)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594652607 360351686 /nfs/dbraw/zinc/35/16/86/360351686.db2.gz SJOUBSJKSXGQIH-UHFFFAOYSA-N 1 2 291.311 0.659 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000595454225 360538080 /nfs/dbraw/zinc/53/80/80/360538080.db2.gz KKWUWBVRTJWRRG-GXFFZTMASA-N 1 2 284.287 0.909 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000595454225 360538082 /nfs/dbraw/zinc/53/80/82/360538082.db2.gz KKWUWBVRTJWRRG-GXFFZTMASA-N 1 2 284.287 0.909 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CCN1CCn2c[nH+]cc2C1 ZINC000595492914 360549872 /nfs/dbraw/zinc/54/98/72/360549872.db2.gz ZJRIISVIHRNFBP-UHFFFAOYSA-N 1 2 289.295 0.469 20 5 CCBDLO O=[N+]([O-])c1cnc(N2CC(C[NH+]3CCOCC3)C2)s1 ZINC000596239755 360848812 /nfs/dbraw/zinc/84/88/12/360848812.db2.gz MNFGIGRHHDMTFI-UHFFFAOYSA-N 1 2 284.341 0.820 20 5 CCBDLO C[C@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000596432778 360892541 /nfs/dbraw/zinc/89/25/41/360892541.db2.gz SMWYCKBVOOUPIB-IUCAKERBSA-N 1 2 286.357 0.994 20 5 CCBDLO C[C@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000596432778 360892547 /nfs/dbraw/zinc/89/25/47/360892547.db2.gz SMWYCKBVOOUPIB-IUCAKERBSA-N 1 2 286.357 0.994 20 5 CCBDLO CCn1cc[nH+]c1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000563636223 291244348 /nfs/dbraw/zinc/24/43/48/291244348.db2.gz JKPDNLFMIZWWNG-UHFFFAOYSA-N 1 2 292.299 0.714 20 5 CCBDLO CC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)c1c[nH]c[nH+]1 ZINC000598691690 361486889 /nfs/dbraw/zinc/48/68/89/361486889.db2.gz OWPUKWCPJRRRNO-UHFFFAOYSA-N 1 2 292.299 0.608 20 5 CCBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])o1 ZINC000598941903 361535346 /nfs/dbraw/zinc/53/53/46/361535346.db2.gz HNZKCTJMDLRDBD-SSDOTTSWSA-N 1 2 262.225 0.739 20 5 CCBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cn1 ZINC000598949975 361539090 /nfs/dbraw/zinc/53/90/90/361539090.db2.gz YLQUWACXZZQBRH-VIFPVBQESA-N 1 2 287.279 0.931 20 5 CCBDLO CC[C@H]1CN(C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000514857858 249108353 /nfs/dbraw/zinc/10/83/53/249108353.db2.gz WLBURCRPNTWORS-NSHDSACASA-N 1 2 267.333 0.817 20 5 CCBDLO CC[C@H]1CN(C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000514857858 249108355 /nfs/dbraw/zinc/10/83/55/249108355.db2.gz WLBURCRPNTWORS-NSHDSACASA-N 1 2 267.333 0.817 20 5 CCBDLO COc1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000278889462 194198999 /nfs/dbraw/zinc/19/89/99/194198999.db2.gz UKYQJEFUOIFFQK-GHMZBOCLSA-N 1 2 286.259 0.280 20 5 CCBDLO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187299469 388875844 /nfs/dbraw/zinc/87/58/44/388875844.db2.gz NOQHAQWIXBLVSC-NSHDSACASA-N 1 2 293.323 0.733 20 5 CCBDLO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187299469 388875846 /nfs/dbraw/zinc/87/58/46/388875846.db2.gz NOQHAQWIXBLVSC-NSHDSACASA-N 1 2 293.323 0.733 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000302234292 389066621 /nfs/dbraw/zinc/06/66/21/389066621.db2.gz UCBQBICFPILXLC-SCZZXKLOSA-N 1 2 267.289 0.516 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000302234292 389066624 /nfs/dbraw/zinc/06/66/24/389066624.db2.gz UCBQBICFPILXLC-SCZZXKLOSA-N 1 2 267.289 0.516 20 5 CCBDLO Cc1[nH]nc(C(=O)N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000264229782 389313887 /nfs/dbraw/zinc/31/38/87/389313887.db2.gz CAXGAJSDGNLYBK-UHFFFAOYSA-N 1 2 278.272 0.632 20 5 CCBDLO Cc1n[nH]c(C(=O)N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000264229782 389313891 /nfs/dbraw/zinc/31/38/91/389313891.db2.gz CAXGAJSDGNLYBK-UHFFFAOYSA-N 1 2 278.272 0.632 20 5 CCBDLO COCC[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C ZINC000160887559 389402199 /nfs/dbraw/zinc/40/21/99/389402199.db2.gz IVLNRRNSPSCPOA-SECBINFHSA-N 1 2 297.315 0.111 20 5 CCBDLO COCC[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C ZINC000160887559 389402202 /nfs/dbraw/zinc/40/22/02/389402202.db2.gz IVLNRRNSPSCPOA-SECBINFHSA-N 1 2 297.315 0.111 20 5 CCBDLO O=[N+]([O-])c1cnc(NCc2cccnc2-n2cc[nH+]c2)nc1 ZINC000373379887 389477921 /nfs/dbraw/zinc/47/79/21/389477921.db2.gz SHKINFCYTLCQSN-UHFFFAOYSA-N 1 2 297.278 1.000 20 5 CCBDLO Cc1cn2c([nH+]1)CN(c1ncc([N+](=O)[O-])cn1)CC2 ZINC000371853809 389439796 /nfs/dbraw/zinc/43/97/96/389439796.db2.gz UCNCNYMIJYYMNK-UHFFFAOYSA-N 1 2 260.257 0.910 20 5 CCBDLO NC(=O)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000377996063 389755501 /nfs/dbraw/zinc/75/55/01/389755501.db2.gz XECOFEVJTCMQTB-UHFFFAOYSA-N 1 2 287.279 0.910 20 5 CCBDLO O=C(NCc1[nH]cc[nH+]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352436356 389810628 /nfs/dbraw/zinc/81/06/28/389810628.db2.gz DQFYDYVRZDLLDZ-UHFFFAOYSA-N 1 2 290.235 0.977 20 5 CCBDLO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCO[C@H]1C ZINC000489398767 390099890 /nfs/dbraw/zinc/09/98/90/390099890.db2.gz GMSVRCXEYIGZQD-WDEREUQCSA-N 1 2 298.343 0.954 20 5 CCBDLO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCO[C@H]1C ZINC000489398767 390099891 /nfs/dbraw/zinc/09/98/91/390099891.db2.gz GMSVRCXEYIGZQD-WDEREUQCSA-N 1 2 298.343 0.954 20 5 CCBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000495201919 390224827 /nfs/dbraw/zinc/22/48/27/390224827.db2.gz LVZBRTBXEWZIER-NSHDSACASA-N 1 2 295.343 0.734 20 5 CCBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000495201919 390224831 /nfs/dbraw/zinc/22/48/31/390224831.db2.gz LVZBRTBXEWZIER-NSHDSACASA-N 1 2 295.343 0.734 20 5 CCBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[NH2+]1 ZINC000262199293 131200355 /nfs/dbraw/zinc/20/03/55/131200355.db2.gz MXYWUHQTXNBJTM-QMMMGPOBSA-N 1 2 265.269 0.734 20 5 CCBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C(N)=O)O1 ZINC000268499987 132018113 /nfs/dbraw/zinc/01/81/13/132018113.db2.gz XEBZHEPOTJZFLX-BXKDBHETSA-N 1 2 279.296 0.669 20 5 CCBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C(N)=O)O1 ZINC000268499987 132018115 /nfs/dbraw/zinc/01/81/15/132018115.db2.gz XEBZHEPOTJZFLX-BXKDBHETSA-N 1 2 279.296 0.669 20 5 CCBDLO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)S1=O ZINC000331153594 288183231 /nfs/dbraw/zinc/18/32/31/288183231.db2.gz IPUDNDKUEHMWFX-NXEZZACHSA-N 1 2 286.357 0.633 20 5 CCBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000367161874 280380045 /nfs/dbraw/zinc/38/00/45/280380045.db2.gz YLJIJKDDBMWPMB-VIFPVBQESA-N 1 2 284.341 0.962 20 5 CCBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000581151270 336016251 /nfs/dbraw/zinc/01/62/51/336016251.db2.gz JRZUESCQXSPGNG-SECBINFHSA-N 1 2 290.283 0.933 20 5 CCBDLO C[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049633521 522881278 /nfs/dbraw/zinc/88/12/78/522881278.db2.gz LPSDGGDYXPORPQ-UHFFFAOYSA-N 1 2 253.258 0.457 20 5 CCBDLO C[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049633521 522881285 /nfs/dbraw/zinc/88/12/85/522881285.db2.gz LPSDGGDYXPORPQ-UHFFFAOYSA-N 1 2 253.258 0.457 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000788381854 581109390 /nfs/dbraw/zinc/10/93/90/581109390.db2.gz IKPGPRMFXJHOBQ-LBPRGKRZSA-N 1 2 279.300 0.269 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000788381854 581109392 /nfs/dbraw/zinc/10/93/92/581109392.db2.gz IKPGPRMFXJHOBQ-LBPRGKRZSA-N 1 2 279.300 0.269 20 5 CCBDLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778259151 581147700 /nfs/dbraw/zinc/14/77/00/581147700.db2.gz BZIVTOVCCHBPDH-GXFFZTMASA-N 1 2 293.323 0.791 20 5 CCBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778259151 581147701 /nfs/dbraw/zinc/14/77/01/581147701.db2.gz BZIVTOVCCHBPDH-GXFFZTMASA-N 1 2 293.323 0.791 20 5 CCBDLO CC(=O)N1CC[C@@H](C[N@@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC000754774996 581608688 /nfs/dbraw/zinc/60/86/88/581608688.db2.gz VQXBRRXAARBGCJ-NSHDSACASA-N 1 2 281.316 0.549 20 5 CCBDLO CC(=O)N1CC[C@@H](C[N@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC000754774996 581608690 /nfs/dbraw/zinc/60/86/90/581608690.db2.gz VQXBRRXAARBGCJ-NSHDSACASA-N 1 2 281.316 0.549 20 5 CCBDLO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000741748464 581761466 /nfs/dbraw/zinc/76/14/66/581761466.db2.gz JPPXWOODIQMNLZ-FQEVSTJZSA-N 1 2 298.368 0.490 20 5 CCBDLO CCC1(O)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000742172086 581769731 /nfs/dbraw/zinc/76/97/31/581769731.db2.gz VKZBRBDWAWELCY-UHFFFAOYSA-N 1 2 254.290 0.986 20 5 CCBDLO COC1C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000759050286 581780979 /nfs/dbraw/zinc/78/09/79/581780979.db2.gz PXTMAYICLFCCCD-LBPRGKRZSA-N 1 2 252.270 0.959 20 5 CCBDLO Cc1nn(C)c(C(=O)OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000771934161 581834773 /nfs/dbraw/zinc/83/47/73/581834773.db2.gz PYAAITJSMTWSFL-UHFFFAOYSA-N 1 2 279.256 0.690 20 5 CCBDLO Cn1cc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000852552656 616091002 /nfs/dbraw/zinc/09/10/02/616091002.db2.gz CANBNEFMKSFPQT-CYBMUJFWSA-N 1 2 291.311 0.889 20 5 CCBDLO Cn1cc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000852552656 616091003 /nfs/dbraw/zinc/09/10/03/616091003.db2.gz CANBNEFMKSFPQT-CYBMUJFWSA-N 1 2 291.311 0.889 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000913547771 616230232 /nfs/dbraw/zinc/23/02/32/616230232.db2.gz VZLBHSLOGWKIBK-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000913547771 616230233 /nfs/dbraw/zinc/23/02/33/616230233.db2.gz VZLBHSLOGWKIBK-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO C[NH+]1CCN(c2ccc(CNCC[N+](=O)[O-])cn2)CC1 ZINC000929586441 616247161 /nfs/dbraw/zinc/24/71/61/616247161.db2.gz MDHSMPSLSTZUOI-UHFFFAOYSA-N 1 2 279.344 0.200 20 5 CCBDLO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000880560942 616786165 /nfs/dbraw/zinc/78/61/65/616786165.db2.gz AVWWBCSWAHZXNE-ZDUSSCGKSA-N 1 2 298.270 0.844 20 5 CCBDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000880560942 616786169 /nfs/dbraw/zinc/78/61/69/616786169.db2.gz AVWWBCSWAHZXNE-ZDUSSCGKSA-N 1 2 298.270 0.844 20 5 CCBDLO O=C1[C@@H]([N@H+]2CC[C@@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000934017991 625004455 /nfs/dbraw/zinc/00/44/55/625004455.db2.gz RZXUAONUXVCGHZ-OLZOCXBDSA-N 1 2 291.307 0.767 20 5 CCBDLO O=C1[C@@H]([N@@H+]2CC[C@@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000934017991 625004456 /nfs/dbraw/zinc/00/44/56/625004456.db2.gz RZXUAONUXVCGHZ-OLZOCXBDSA-N 1 2 291.307 0.767 20 5 CCBDLO C[C@@H]1C[N@H+](CCNc2c([N+](=O)[O-])cnn2C)[C@H](C)CO1 ZINC000894521986 631784440 /nfs/dbraw/zinc/78/44/40/631784440.db2.gz XNIDGDMNWRNAAE-NXEZZACHSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNc2c([N+](=O)[O-])cnn2C)[C@H](C)CO1 ZINC000894521986 631784445 /nfs/dbraw/zinc/78/44/45/631784445.db2.gz XNIDGDMNWRNAAE-NXEZZACHSA-N 1 2 283.332 0.849 20 5 CCBDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000912750476 636668125 /nfs/dbraw/zinc/66/81/25/636668125.db2.gz DHVXXIXVSKXHDH-GFCCVEGCSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000912750476 636668130 /nfs/dbraw/zinc/66/81/30/636668130.db2.gz DHVXXIXVSKXHDH-GFCCVEGCSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000912750497 636668460 /nfs/dbraw/zinc/66/84/60/636668460.db2.gz DPCBVESBGFVWNH-NSHDSACASA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000912750497 636668462 /nfs/dbraw/zinc/66/84/62/636668462.db2.gz DPCBVESBGFVWNH-NSHDSACASA-N 1 2 293.323 0.652 20 5 CCBDLO O=C(OCCO)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000922748251 639778848 /nfs/dbraw/zinc/77/88/48/639778848.db2.gz QTMPBUPITMPGIY-UHFFFAOYSA-N 1 2 277.236 0.930 20 5 CCBDLO NC(=O)[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC000847055746 643484939 /nfs/dbraw/zinc/48/49/39/643484939.db2.gz VFJYHIQRSVIYEV-LBPRGKRZSA-N 1 2 283.259 0.468 20 5 CCBDLO CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])C1C[NH+](C)C1 ZINC001157453588 801387587 /nfs/dbraw/zinc/38/75/87/801387587.db2.gz HQZGXFOYQKUXJI-UHFFFAOYSA-N 1 2 252.274 0.369 20 5 CCBDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1cc([N+](=O)[O-])ccn1 ZINC001157770470 801476736 /nfs/dbraw/zinc/47/67/36/801476736.db2.gz KIPHLQPOUIWPQJ-JTQLQIEISA-N 1 2 280.284 0.283 20 5 CCBDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1cc([N+](=O)[O-])ccn1 ZINC001157770470 801476743 /nfs/dbraw/zinc/47/67/43/801476743.db2.gz KIPHLQPOUIWPQJ-JTQLQIEISA-N 1 2 280.284 0.283 20 5 CCBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cccc([N+](=O)[O-])n1 ZINC001159293864 801787348 /nfs/dbraw/zinc/78/73/48/801787348.db2.gz RCMQVKSDBDNORZ-UHFFFAOYSA-N 1 2 263.257 0.691 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1Cl ZINC001161945377 802252446 /nfs/dbraw/zinc/25/24/46/802252446.db2.gz IUUKOGFRFYAVNJ-MRVPVSSYSA-N 1 2 288.691 0.946 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001162682973 802391876 /nfs/dbraw/zinc/39/18/76/802391876.db2.gz MBRSCZOPRPNHFP-MRVPVSSYSA-N 1 2 292.299 0.560 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001162682973 802391880 /nfs/dbraw/zinc/39/18/80/802391880.db2.gz MBRSCZOPRPNHFP-MRVPVSSYSA-N 1 2 292.299 0.560 20 5 CCBDLO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCC3(C2)OCCO3)nc1 ZINC001164190815 802685037 /nfs/dbraw/zinc/68/50/37/802685037.db2.gz NRTDWJVPHPBLJP-UHFFFAOYSA-N 1 2 295.299 0.246 20 5 CCBDLO O=[N+]([O-])c1cnc(NCC[N@H+]2CCC3(C2)OCCO3)nc1 ZINC001164190815 802685040 /nfs/dbraw/zinc/68/50/40/802685040.db2.gz NRTDWJVPHPBLJP-UHFFFAOYSA-N 1 2 295.299 0.246 20 5 CCBDLO CC(C)[NH+]1CC(Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228144617 805417791 /nfs/dbraw/zinc/41/77/91/805417791.db2.gz WLTHIQLXXVDJHB-UHFFFAOYSA-N 1 2 254.246 0.562 20 5 CCBDLO Cn1cc[nH+]c1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001263927038 809607839 /nfs/dbraw/zinc/60/78/39/809607839.db2.gz PBRHIXQGVMRYTK-UHFFFAOYSA-N 1 2 268.317 0.914 20 5 CCBDLO Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001031663091 817227795 /nfs/dbraw/zinc/22/77/95/817227795.db2.gz SIASCTKDPMRCPX-VXGBXAGGSA-N 1 2 294.311 0.196 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000700596297 818811770 /nfs/dbraw/zinc/81/17/70/818811770.db2.gz YZXWYWSKVCGWLH-VIFPVBQESA-N 1 2 285.325 0.405 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000700596297 818811774 /nfs/dbraw/zinc/81/17/74/818811774.db2.gz YZXWYWSKVCGWLH-VIFPVBQESA-N 1 2 285.325 0.405 20 5 CCBDLO NC(=O)c1ccnc(N2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC001118534633 820596907 /nfs/dbraw/zinc/59/69/07/820596907.db2.gz BFFFJTNGTJJWKF-UHFFFAOYSA-N 1 2 288.267 0.375 20 5 CCBDLO COC(=O)[C@]1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOC1 ZINC001169001501 836095687 /nfs/dbraw/zinc/09/56/87/836095687.db2.gz GOZIKMZVJOYVMH-SCVCMEIPSA-N 1 2 272.301 0.354 20 5 CCBDLO CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455433 837015460 /nfs/dbraw/zinc/01/54/60/837015460.db2.gz JTAJVZSWDYKUKZ-UHFFFAOYSA-N 1 2 281.316 0.842 20 5 CCBDLO CNC(=O)C[N@@H+]1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC001187662799 844742842 /nfs/dbraw/zinc/74/28/42/844742842.db2.gz MTMGTCKOSXEIND-UHFFFAOYSA-N 1 2 298.368 0.914 20 5 CCBDLO CNC(=O)C[N@H+]1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC001187662799 844742845 /nfs/dbraw/zinc/74/28/45/844742845.db2.gz MTMGTCKOSXEIND-UHFFFAOYSA-N 1 2 298.368 0.914 20 5 CCBDLO C[N@H+](CCNS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001116056488 855715517 /nfs/dbraw/zinc/71/55/17/855715517.db2.gz ATZNURRVAPWINZ-UHFFFAOYSA-N 1 2 287.341 0.576 20 5 CCBDLO C[N@@H+](CCNS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001116056488 855715519 /nfs/dbraw/zinc/71/55/19/855715519.db2.gz ATZNURRVAPWINZ-UHFFFAOYSA-N 1 2 287.341 0.576 20 5 CCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001323393161 912316585 /nfs/dbraw/zinc/31/65/85/912316585.db2.gz UOUZTGRHGVOMRU-QMMMGPOBSA-N 1 2 278.272 0.343 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001325905700 913633856 /nfs/dbraw/zinc/63/38/56/913633856.db2.gz ZZGKQBNIAUYZQL-SECBINFHSA-N 1 2 290.283 0.119 20 5 CCBDLO O=c1[nH]ccc(N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC001327673023 914695843 /nfs/dbraw/zinc/69/58/43/914695843.db2.gz HOPCCILCWKJOQT-UHFFFAOYSA-N 1 2 261.241 0.912 20 5 CCBDLO Cc1nn(C)c(C(=O)NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC001330266928 903886353 /nfs/dbraw/zinc/88/63/53/903886353.db2.gz QRQRBMHYVJUGEC-UHFFFAOYSA-N 1 2 278.272 0.300 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001303573511 908096675 /nfs/dbraw/zinc/09/66/75/908096675.db2.gz PARDPBRTJQAHOA-SSDOTTSWSA-N 1 2 276.256 0.716 20 5 CCBDLO O=C(C[NH2+]CC[N+](=O)[O-])Nc1ccc(F)c(F)c1F ZINC001336762991 920987968 /nfs/dbraw/zinc/98/79/68/920987968.db2.gz LFIAQXDOCSVISF-UHFFFAOYSA-N 1 2 277.202 0.909 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001343089201 923197922 /nfs/dbraw/zinc/19/79/22/923197922.db2.gz JMLAFWSEIUXTOM-MRVPVSSYSA-N 1 2 290.283 0.270 20 5 CCBDLO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001351886300 925491516 /nfs/dbraw/zinc/49/15/16/925491516.db2.gz DQINEVGWPBQILT-RKDXNWHRSA-N 1 2 267.289 0.048 20 5 CCBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000093502505 349543606 /nfs/dbraw/zinc/54/36/06/349543606.db2.gz PCOWMLFGMFUBSU-UHFFFAOYSA-N 1 2 284.312 0.723 20 5 CCBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000093502505 349543607 /nfs/dbraw/zinc/54/36/07/349543607.db2.gz PCOWMLFGMFUBSU-UHFFFAOYSA-N 1 2 284.312 0.723 20 5 CCBDLO Cn1cc(C[N@@H+]2CCSC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000602799223 362808061 /nfs/dbraw/zinc/80/80/61/362808061.db2.gz LPEXBYXQMVCADV-VIFPVBQESA-N 1 2 272.330 0.238 20 5 CCBDLO Cn1cc(C[N@H+]2CCSC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000602799223 362808064 /nfs/dbraw/zinc/80/80/64/362808064.db2.gz LPEXBYXQMVCADV-VIFPVBQESA-N 1 2 272.330 0.238 20 5 CCBDLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820037 362818257 /nfs/dbraw/zinc/81/82/57/362818257.db2.gz GGOPXTYDHUJRSJ-MWLCHTKSSA-N 1 2 284.316 0.300 20 5 CCBDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820037 362818260 /nfs/dbraw/zinc/81/82/60/362818260.db2.gz GGOPXTYDHUJRSJ-MWLCHTKSSA-N 1 2 284.316 0.300 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1nncn1C ZINC000602831828 362824594 /nfs/dbraw/zinc/82/45/94/362824594.db2.gz ILRCQZFFBYCBSV-UHFFFAOYSA-N 1 2 279.304 0.360 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1nncn1C ZINC000602831828 362824599 /nfs/dbraw/zinc/82/45/99/362824599.db2.gz ILRCQZFFBYCBSV-UHFFFAOYSA-N 1 2 279.304 0.360 20 5 CCBDLO Cn1cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])n1 ZINC000602841315 362829664 /nfs/dbraw/zinc/82/96/64/362829664.db2.gz QQNBLICYIQSJEM-SNVBAGLBSA-N 1 2 281.316 0.381 20 5 CCBDLO Cn1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])n1 ZINC000602841315 362829667 /nfs/dbraw/zinc/82/96/67/362829667.db2.gz QQNBLICYIQSJEM-SNVBAGLBSA-N 1 2 281.316 0.381 20 5 CCBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343566030 137142676 /nfs/dbraw/zinc/14/26/76/137142676.db2.gz KPZCGCUULMQQRC-SSDOTTSWSA-N 1 2 253.262 0.094 20 5 CCBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343566030 137142677 /nfs/dbraw/zinc/14/26/77/137142677.db2.gz KPZCGCUULMQQRC-SSDOTTSWSA-N 1 2 253.262 0.094 20 5 CCBDLO Cc1nn(C[C@H](O)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000042755297 348293025 /nfs/dbraw/zinc/29/30/25/348293025.db2.gz IMIQGZAFOOGUFQ-LLVKDONJSA-N 1 2 284.316 0.101 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000071203134 348904990 /nfs/dbraw/zinc/90/49/90/348904990.db2.gz URGVJODOAIQDBJ-UHFFFAOYSA-N 1 2 277.240 0.278 20 5 CCBDLO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000078534034 349142786 /nfs/dbraw/zinc/14/27/86/349142786.db2.gz SMLLNWYGLUUKNE-SNVBAGLBSA-N 1 2 281.312 0.917 20 5 CCBDLO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000078534034 349142788 /nfs/dbraw/zinc/14/27/88/349142788.db2.gz SMLLNWYGLUUKNE-SNVBAGLBSA-N 1 2 281.312 0.917 20 5 CCBDLO CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000140720911 350451771 /nfs/dbraw/zinc/45/17/71/350451771.db2.gz ZLHMPIQLFSFWBL-SECBINFHSA-N 1 2 278.272 0.782 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000167851198 350815765 /nfs/dbraw/zinc/81/57/65/350815765.db2.gz IQUDMRCLTSLPNZ-ONGXEEELSA-N 1 2 284.316 0.181 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000167851198 350815768 /nfs/dbraw/zinc/81/57/68/350815768.db2.gz IQUDMRCLTSLPNZ-ONGXEEELSA-N 1 2 284.316 0.181 20 5 CCBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246928 351164543 /nfs/dbraw/zinc/16/45/43/351164543.db2.gz WUROBMCVSAVFFB-NXEZZACHSA-N 1 2 298.299 0.054 20 5 CCBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246928 351164546 /nfs/dbraw/zinc/16/45/46/351164546.db2.gz WUROBMCVSAVFFB-NXEZZACHSA-N 1 2 298.299 0.054 20 5 CCBDLO CN(C(=O)C[NH2+]C1(C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000181726400 351334823 /nfs/dbraw/zinc/33/48/23/351334823.db2.gz HHLBLTHAHLMMJL-UHFFFAOYSA-N 1 2 292.295 0.165 20 5 CCBDLO O=C1OCC[C@]12CCC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000186675584 351507789 /nfs/dbraw/zinc/50/77/89/351507789.db2.gz CMEAWXDNNLHDCA-GFCCVEGCSA-N 1 2 280.284 0.573 20 5 CCBDLO O=C1OCC[C@]12CCC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000186675584 351507792 /nfs/dbraw/zinc/50/77/92/351507792.db2.gz CMEAWXDNNLHDCA-GFCCVEGCSA-N 1 2 280.284 0.573 20 5 CCBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1CCO ZINC000188738652 351623709 /nfs/dbraw/zinc/62/37/09/351623709.db2.gz HXRJSRMGHUUMIJ-VIFPVBQESA-N 1 2 299.352 0.795 20 5 CCBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1CCO ZINC000188738652 351623711 /nfs/dbraw/zinc/62/37/11/351623711.db2.gz HXRJSRMGHUUMIJ-VIFPVBQESA-N 1 2 299.352 0.795 20 5 CCBDLO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000188751616 351625296 /nfs/dbraw/zinc/62/52/96/351625296.db2.gz OFPKWUFFHMPURQ-NSHDSACASA-N 1 2 293.323 0.733 20 5 CCBDLO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000188751616 351625298 /nfs/dbraw/zinc/62/52/98/351625298.db2.gz OFPKWUFFHMPURQ-NSHDSACASA-N 1 2 293.323 0.733 20 5 CCBDLO CN(CC[NH+]1CCOCC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193406927 351826440 /nfs/dbraw/zinc/82/64/40/351826440.db2.gz USRBYNRCYVLKEY-UHFFFAOYSA-N 1 2 280.328 0.945 20 5 CCBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C(N)=O)O1 ZINC000122525361 187036581 /nfs/dbraw/zinc/03/65/81/187036581.db2.gz UPTVPRPAOZICPW-BXKDBHETSA-N 1 2 279.296 0.669 20 5 CCBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C(N)=O)O1 ZINC000122525361 187036582 /nfs/dbraw/zinc/03/65/82/187036582.db2.gz UPTVPRPAOZICPW-BXKDBHETSA-N 1 2 279.296 0.669 20 5 CCBDLO C[NH+](C)CCOCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234234578 352155461 /nfs/dbraw/zinc/15/54/61/352155461.db2.gz QPPKALRAJINXSZ-UHFFFAOYSA-N 1 2 297.311 0.608 20 5 CCBDLO O=C(C[N@H+]1CC[C@H](O)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265205621 352626074 /nfs/dbraw/zinc/62/60/74/352626074.db2.gz KSOKNKUIZOUJNW-LBPRGKRZSA-N 1 2 291.307 0.551 20 5 CCBDLO O=C(C[N@@H+]1CC[C@H](O)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265205621 352626076 /nfs/dbraw/zinc/62/60/76/352626076.db2.gz KSOKNKUIZOUJNW-LBPRGKRZSA-N 1 2 291.307 0.551 20 5 CCBDLO CC(C)[NH+]1CC(NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000278187476 353285945 /nfs/dbraw/zinc/28/59/45/353285945.db2.gz PYQPMMUPNLDPHY-UHFFFAOYSA-N 1 2 278.312 0.999 20 5 CCBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(=O)[nH][nH]1 ZINC000282426377 353422768 /nfs/dbraw/zinc/42/27/68/353422768.db2.gz JSVIARHASNHNHS-UHFFFAOYSA-N 1 2 277.284 0.681 20 5 CCBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(=O)[nH][nH]1 ZINC000282426377 353422770 /nfs/dbraw/zinc/42/27/70/353422770.db2.gz JSVIARHASNHNHS-UHFFFAOYSA-N 1 2 277.284 0.681 20 5 CCBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000291107099 353768270 /nfs/dbraw/zinc/76/82/70/353768270.db2.gz MHVWSALZZKGERL-UHFFFAOYSA-N 1 2 289.251 0.548 20 5 CCBDLO CC(C)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304356546 354114616 /nfs/dbraw/zinc/11/46/16/354114616.db2.gz SKPJBTSZUAHNRB-ZDUSSCGKSA-N 1 2 297.359 0.178 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000330541307 354401230 /nfs/dbraw/zinc/40/12/30/354401230.db2.gz ACYZVANUKNAQHW-IUCAKERBSA-N 1 2 258.253 0.196 20 5 CCBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000330541307 354401233 /nfs/dbraw/zinc/40/12/33/354401233.db2.gz ACYZVANUKNAQHW-IUCAKERBSA-N 1 2 258.253 0.196 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331139949 354463539 /nfs/dbraw/zinc/46/35/39/354463539.db2.gz JVYWCUYGJKVBNX-UHFFFAOYSA-N 1 2 290.270 0.920 20 5 CCBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H](O)C[C@H]3CO)nc2c1 ZINC000331585707 354613154 /nfs/dbraw/zinc/61/31/54/354613154.db2.gz XTOIROGFJBUHHI-UWVGGRQHSA-N 1 2 292.295 0.399 20 5 CCBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H](O)C[C@H]3CO)nc2c1 ZINC000331585707 354613161 /nfs/dbraw/zinc/61/31/61/354613161.db2.gz XTOIROGFJBUHHI-UWVGGRQHSA-N 1 2 292.295 0.399 20 5 CCBDLO CCOC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332737653 354732396 /nfs/dbraw/zinc/73/23/96/354732396.db2.gz ZPWIKMVCCAJEKX-LBPRGKRZSA-N 1 2 281.312 0.745 20 5 CCBDLO CCOC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332737653 354732398 /nfs/dbraw/zinc/73/23/98/354732398.db2.gz ZPWIKMVCCAJEKX-LBPRGKRZSA-N 1 2 281.312 0.745 20 5 CCBDLO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339150382 355495676 /nfs/dbraw/zinc/49/56/76/355495676.db2.gz WLDXIQOHMAYZBK-CYBMUJFWSA-N 1 2 279.296 0.998 20 5 CCBDLO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339150382 355495679 /nfs/dbraw/zinc/49/56/79/355495679.db2.gz WLDXIQOHMAYZBK-CYBMUJFWSA-N 1 2 279.296 0.998 20 5 CCBDLO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340289957 355550250 /nfs/dbraw/zinc/55/02/50/355550250.db2.gz WHMKHNPVZQQKIC-ZIAGYGMSSA-N 1 2 293.323 0.477 20 5 CCBDLO COCC[NH+](CCOC)Cc1c([N+](=O)[O-])ncn1C ZINC000355789630 356647660 /nfs/dbraw/zinc/64/76/60/356647660.db2.gz DYLVWBZYLOSIIJ-UHFFFAOYSA-N 1 2 272.305 0.423 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000366647439 357230949 /nfs/dbraw/zinc/23/09/49/357230949.db2.gz XHMYKOQZYDPJGP-VIFPVBQESA-N 1 2 252.274 0.285 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000366647439 357230955 /nfs/dbraw/zinc/23/09/55/357230955.db2.gz XHMYKOQZYDPJGP-VIFPVBQESA-N 1 2 252.274 0.285 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000570289770 358842899 /nfs/dbraw/zinc/84/28/99/358842899.db2.gz NNAMUCLTMPJSBS-CYBMUJFWSA-N 1 2 295.295 0.337 20 5 CCBDLO COCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591137307 359561302 /nfs/dbraw/zinc/56/13/02/359561302.db2.gz BKKDWPMATPKEED-UHFFFAOYSA-N 1 2 284.291 0.897 20 5 CCBDLO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2COC[C@H]2O1 ZINC000593117470 360043038 /nfs/dbraw/zinc/04/30/38/360043038.db2.gz RVXFJRGRUSOHPA-GHMZBOCLSA-N 1 2 296.327 0.670 20 5 CCBDLO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2COC[C@H]2O1 ZINC000593117470 360043041 /nfs/dbraw/zinc/04/30/41/360043041.db2.gz RVXFJRGRUSOHPA-GHMZBOCLSA-N 1 2 296.327 0.670 20 5 CCBDLO Cc1noc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1[N+](=O)[O-] ZINC000595450152 360534852 /nfs/dbraw/zinc/53/48/52/360534852.db2.gz RRKQAFZMTOCYDE-VIFPVBQESA-N 1 2 278.272 0.930 20 5 CCBDLO Cc1noc(C[N@H+]2CC[C@H](n3cncn3)C2)c1[N+](=O)[O-] ZINC000595450152 360534856 /nfs/dbraw/zinc/53/48/56/360534856.db2.gz RRKQAFZMTOCYDE-VIFPVBQESA-N 1 2 278.272 0.930 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000595454224 360537891 /nfs/dbraw/zinc/53/78/91/360537891.db2.gz KKWUWBVRTJWRRG-GWCFXTLKSA-N 1 2 284.287 0.909 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000595454224 360537897 /nfs/dbraw/zinc/53/78/97/360537897.db2.gz KKWUWBVRTJWRRG-GWCFXTLKSA-N 1 2 284.287 0.909 20 5 CCBDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595658249 360607569 /nfs/dbraw/zinc/60/75/69/360607569.db2.gz DNZXRAUEYUYETJ-CMPLNLGQSA-N 1 2 296.279 0.721 20 5 CCBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)C2)nc1 ZINC000596247554 360851882 /nfs/dbraw/zinc/85/18/82/360851882.db2.gz QRQAMYOQLIWDGJ-LLVKDONJSA-N 1 2 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/nfs/dbraw/zinc/64/99/26/808649926.db2.gz XTCPQZLFBQMQML-UWVGGRQHSA-N 1 2 284.316 0.541 20 5 CCBDLO Cc1nc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC001262373218 809294082 /nfs/dbraw/zinc/29/40/82/809294082.db2.gz PQDYGFLYQHSUKH-ZYHUDNBSSA-N 1 2 294.359 0.739 20 5 CCBDLO Cc1nc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC001262373218 809294086 /nfs/dbraw/zinc/29/40/86/809294086.db2.gz PQDYGFLYQHSUKH-ZYHUDNBSSA-N 1 2 294.359 0.739 20 5 CCBDLO CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126932069 815308497 /nfs/dbraw/zinc/30/84/97/815308497.db2.gz HCPOTDVTXYAMFD-NXEZZACHSA-N 1 2 282.300 0.108 20 5 CCBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cccnc1[N+](=O)[O-] ZINC001170339649 837321284 /nfs/dbraw/zinc/32/12/84/837321284.db2.gz OEXRMVQXEXRGLX-UHFFFAOYSA-N 1 2 263.257 0.691 20 5 CCBDLO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnn[nH]1 ZINC001130742940 837910007 /nfs/dbraw/zinc/91/00/07/837910007.db2.gz MOHQOKYHSLLHSK-UHFFFAOYSA-N 1 2 296.312 0.294 20 5 CCBDLO C[NH+](C)Cc1nc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])co1 ZINC001179128576 842967109 /nfs/dbraw/zinc/96/71/09/842967109.db2.gz ZUIWTUYJJDDXAT-UHFFFAOYSA-N 1 2 294.271 0.298 20 5 CCBDLO CC[C@H]1COCC[N@@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC001329674076 916113843 /nfs/dbraw/zinc/11/38/43/916113843.db2.gz SRFAYZYIVKUKRS-NSHDSACASA-N 1 2 280.328 0.934 20 5 CCBDLO CC[C@H]1COCC[N@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC001329674076 916113865 /nfs/dbraw/zinc/11/38/65/916113865.db2.gz SRFAYZYIVKUKRS-NSHDSACASA-N 1 2 280.328 0.934 20 5 CCBDLO C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592951888 980042985 /nfs/dbraw/zinc/04/29/85/980042985.db2.gz NEIFOXKKVKVYMO-IUCAKERBSA-N 1 2 297.311 0.884 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600422249 361957042 /nfs/dbraw/zinc/95/70/42/361957042.db2.gz TYQKVYYTMYFGMX-LBPRGKRZSA-N 1 2 297.286 0.794 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600422249 361957047 /nfs/dbraw/zinc/95/70/47/361957047.db2.gz TYQKVYYTMYFGMX-LBPRGKRZSA-N 1 2 297.286 0.794 20 5 CCBDLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000600424589 361958452 /nfs/dbraw/zinc/95/84/52/361958452.db2.gz LJTLHAWUFILMAP-LBPRGKRZSA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000600424589 361958456 /nfs/dbraw/zinc/95/84/56/361958456.db2.gz LJTLHAWUFILMAP-LBPRGKRZSA-N 1 2 293.323 0.964 20 5 CCBDLO CN(C)c1[nH+]cccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000339003198 214892980 /nfs/dbraw/zinc/89/29/80/214892980.db2.gz GCMDBJUYTRXMSE-UHFFFAOYSA-N 1 2 289.299 0.292 20 5 CCBDLO COCC[NH+](CCOC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602430338 362612418 /nfs/dbraw/zinc/61/24/18/362612418.db2.gz XYKPDAAUORUIKJ-UHFFFAOYSA-N 1 2 272.305 0.423 20 5 CCBDLO Cn1cc(C[N@@H+]2CCc3c[nH]nc3C2)c([N+](=O)[O-])n1 ZINC000602472581 362635734 /nfs/dbraw/zinc/63/57/34/362635734.db2.gz OKZLVTSORXIEKO-UHFFFAOYSA-N 1 2 262.273 0.610 20 5 CCBDLO Cn1cc(C[N@H+]2CCc3c[nH]nc3C2)c([N+](=O)[O-])n1 ZINC000602472581 362635739 /nfs/dbraw/zinc/63/57/39/362635739.db2.gz OKZLVTSORXIEKO-UHFFFAOYSA-N 1 2 262.273 0.610 20 5 CCBDLO Cn1cc(C[N@@H+]2CCc3cn[nH]c3C2)c([N+](=O)[O-])n1 ZINC000602472581 362635743 /nfs/dbraw/zinc/63/57/43/362635743.db2.gz OKZLVTSORXIEKO-UHFFFAOYSA-N 1 2 262.273 0.610 20 5 CCBDLO Cn1cc(C[N@H+]2CCc3cn[nH]c3C2)c([N+](=O)[O-])n1 ZINC000602472581 362635746 /nfs/dbraw/zinc/63/57/46/362635746.db2.gz OKZLVTSORXIEKO-UHFFFAOYSA-N 1 2 262.273 0.610 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000339204063 215011797 /nfs/dbraw/zinc/01/17/97/215011797.db2.gz YDAJQZVLAINFFS-GHMZBOCLSA-N 1 2 282.296 0.618 20 5 CCBDLO O=C1NCC[C@@H]1[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533207894 290787673 /nfs/dbraw/zinc/78/76/73/290787673.db2.gz KKNGIFBKUXLTSY-NSHDSACASA-N 1 2 291.311 0.000 20 5 CCBDLO CC[C@H]1C(=O)NCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602782750 362799150 /nfs/dbraw/zinc/79/91/50/362799150.db2.gz WPGVZZIARJQWNT-JTQLQIEISA-N 1 2 281.316 0.310 20 5 CCBDLO CC[C@H]1C(=O)NCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602782750 362799152 /nfs/dbraw/zinc/79/91/52/362799152.db2.gz WPGVZZIARJQWNT-JTQLQIEISA-N 1 2 281.316 0.310 20 5 CCBDLO CO[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000602899567 362873765 /nfs/dbraw/zinc/87/37/65/362873765.db2.gz QZGBXFDRJIETDR-SNVBAGLBSA-N 1 2 256.262 0.096 20 5 CCBDLO CO[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000602899567 362873770 /nfs/dbraw/zinc/87/37/70/362873770.db2.gz QZGBXFDRJIETDR-SNVBAGLBSA-N 1 2 256.262 0.096 20 5 CCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000042513164 348282745 /nfs/dbraw/zinc/28/27/45/348282745.db2.gz CQPHCTHAQHOHCG-MRVPVSSYSA-N 1 2 263.257 0.938 20 5 CCBDLO CN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602903013 362877011 /nfs/dbraw/zinc/87/70/11/362877011.db2.gz HOHHIVQNSDGSIR-ZDUSSCGKSA-N 1 2 295.339 0.582 20 5 CCBDLO CN1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602903013 362877018 /nfs/dbraw/zinc/87/70/18/362877018.db2.gz HOHHIVQNSDGSIR-ZDUSSCGKSA-N 1 2 295.339 0.582 20 5 CCBDLO Cn1c[nH+]cc1Cc1noc(-c2cc([N+](=O)[O-])nn2C)n1 ZINC000346938052 137312460 /nfs/dbraw/zinc/31/24/60/137312460.db2.gz HNHWLLOUYBWNKH-UHFFFAOYSA-N 1 2 289.255 0.703 20 5 CCBDLO Cc1noc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)n1 ZINC000348099860 137372917 /nfs/dbraw/zinc/37/29/17/137372917.db2.gz WXPTVCKAXRTZMH-ZETCQYMHSA-N 1 2 266.261 0.834 20 5 CCBDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000120515817 349990134 /nfs/dbraw/zinc/99/01/34/349990134.db2.gz SHEYHSIHHGNIEU-LLVKDONJSA-N 1 2 282.300 0.819 20 5 CCBDLO CCOC(=O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000120515817 349990138 /nfs/dbraw/zinc/99/01/38/349990138.db2.gz SHEYHSIHHGNIEU-LLVKDONJSA-N 1 2 282.300 0.819 20 5 CCBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052954463 348517938 /nfs/dbraw/zinc/51/79/38/348517938.db2.gz SKPHJETVYDJOBW-UHFFFAOYSA-N 1 2 263.257 0.929 20 5 CCBDLO Nc1nc(SCC[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000090069532 349425352 /nfs/dbraw/zinc/42/53/52/349425352.db2.gz UEDFEPXWHHPVQF-UHFFFAOYSA-N 1 2 285.329 0.391 20 5 CCBDLO COC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000123945630 350086203 /nfs/dbraw/zinc/08/62/03/350086203.db2.gz MHRFMFVQMYAHFF-ZJUUUORDSA-N 1 2 298.299 0.054 20 5 CCBDLO COC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000123945630 350086207 /nfs/dbraw/zinc/08/62/07/350086207.db2.gz MHRFMFVQMYAHFF-ZJUUUORDSA-N 1 2 298.299 0.054 20 5 CCBDLO CCc1nn(C)c(N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000091561345 180191994 /nfs/dbraw/zinc/19/19/94/180191994.db2.gz UHUSFMQSISCYPW-UHFFFAOYSA-N 1 2 283.332 0.005 20 5 CCBDLO COCC[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000134894633 350378381 /nfs/dbraw/zinc/37/83/81/350378381.db2.gz NCORIWNRCCSMEJ-UHFFFAOYSA-N 1 2 297.311 0.474 20 5 CCBDLO COCC[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000134894633 350378385 /nfs/dbraw/zinc/37/83/85/350378385.db2.gz NCORIWNRCCSMEJ-UHFFFAOYSA-N 1 2 297.311 0.474 20 5 CCBDLO CN(C(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000603087724 362956011 /nfs/dbraw/zinc/95/60/11/362956011.db2.gz OJPCCYJVDNJHAN-QMTHXVAHSA-N 1 2 291.307 0.624 20 5 CCBDLO CN(C(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000603087724 362956014 /nfs/dbraw/zinc/95/60/14/362956014.db2.gz OJPCCYJVDNJHAN-QMTHXVAHSA-N 1 2 291.307 0.624 20 5 CCBDLO CCc1n[nH]c(C(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000171662206 350925544 /nfs/dbraw/zinc/92/55/44/350925544.db2.gz NBCNNWNFIZDEFV-UHFFFAOYSA-N 1 2 281.316 0.658 20 5 CCBDLO CCc1[nH]nc(C(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000171662206 350925545 /nfs/dbraw/zinc/92/55/45/350925545.db2.gz NBCNNWNFIZDEFV-UHFFFAOYSA-N 1 2 281.316 0.658 20 5 CCBDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000182252445 351354069 /nfs/dbraw/zinc/35/40/69/351354069.db2.gz HTGVTLQJKCABBC-SNVBAGLBSA-N 1 2 282.300 0.819 20 5 CCBDLO CCOC(=O)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000182252445 351354072 /nfs/dbraw/zinc/35/40/72/351354072.db2.gz HTGVTLQJKCABBC-SNVBAGLBSA-N 1 2 282.300 0.819 20 5 CCBDLO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000188790128 351628430 /nfs/dbraw/zinc/62/84/30/351628430.db2.gz SDJRAXWCTFDWCI-VIFPVBQESA-N 1 2 299.352 0.795 20 5 CCBDLO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000188790128 351628434 /nfs/dbraw/zinc/62/84/34/351628434.db2.gz SDJRAXWCTFDWCI-VIFPVBQESA-N 1 2 299.352 0.795 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[NH2+]CCO1 ZINC000236583124 352198985 /nfs/dbraw/zinc/19/89/85/352198985.db2.gz FIBHHOGJIXMQMD-SNVBAGLBSA-N 1 2 267.241 0.227 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(CC(F)F)CC2)n1 ZINC000267097172 352744471 /nfs/dbraw/zinc/74/44/71/352744471.db2.gz SAIPCXHILXALDL-UHFFFAOYSA-N 1 2 289.286 0.674 20 5 CCBDLO C[N@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000267942341 352798854 /nfs/dbraw/zinc/79/88/54/352798854.db2.gz 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C[C@H](O)C[C@@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000156889433 188285654 /nfs/dbraw/zinc/28/56/54/188285654.db2.gz YLORAFLFPJZFHQ-WDEREUQCSA-N 1 2 284.316 0.263 20 5 CCBDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000156889433 188285655 /nfs/dbraw/zinc/28/56/55/188285655.db2.gz YLORAFLFPJZFHQ-WDEREUQCSA-N 1 2 284.316 0.263 20 5 CCBDLO COC(=O)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157495407 188320863 /nfs/dbraw/zinc/32/08/63/188320863.db2.gz UITPEQWQPDKTIX-NSHDSACASA-N 1 2 282.300 0.819 20 5 CCBDLO COC(=O)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157495407 188320864 /nfs/dbraw/zinc/32/08/64/188320864.db2.gz UITPEQWQPDKTIX-NSHDSACASA-N 1 2 282.300 0.819 20 5 CCBDLO C[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286290886 353574963 /nfs/dbraw/zinc/57/49/63/353574963.db2.gz WXNCYHAQRUZSLQ-SSDOTTSWSA-N 1 2 253.258 0.638 20 5 CCBDLO Cc1nc(NC[C@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296563737 353951002 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175243646 /nfs/dbraw/zinc/24/36/46/175243646.db2.gz APQPEZJGBCURHF-UHFFFAOYSA-N 1 2 293.323 0.653 20 5 CCBDLO COC1CC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000352231137 277192372 /nfs/dbraw/zinc/19/23/72/277192372.db2.gz PGMDDKBNJRRGQZ-UHFFFAOYSA-N 1 2 254.290 0.938 20 5 CCBDLO COC1CC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000352231137 277192374 /nfs/dbraw/zinc/19/23/74/277192374.db2.gz PGMDDKBNJRRGQZ-UHFFFAOYSA-N 1 2 254.290 0.938 20 5 CCBDLO Cc1[nH]nc(C(=O)N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000291161433 280188922 /nfs/dbraw/zinc/18/89/22/280188922.db2.gz QUXGNRVCYKPLDI-UHFFFAOYSA-N 1 2 276.256 0.479 20 5 CCBDLO Cc1n[nH]c(C(=O)N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000291161433 280188925 /nfs/dbraw/zinc/18/89/25/280188925.db2.gz QUXGNRVCYKPLDI-UHFFFAOYSA-N 1 2 276.256 0.479 20 5 CCBDLO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCO1 ZINC000576517504 335213782 /nfs/dbraw/zinc/21/37/82/335213782.db2.gz ORVJQYUDNHIKMF-SNVBAGLBSA-N 1 2 295.295 0.490 20 5 CCBDLO 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/nfs/dbraw/zinc/46/25/06/581462506.db2.gz JFXKTLBAAPLIKK-SCZZXKLOSA-N 1 2 268.273 0.632 20 5 CCBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@H]2CO)c1 ZINC000769904037 581712913 /nfs/dbraw/zinc/71/29/13/581712913.db2.gz RERCZGDNCAZLHK-CHWSQXEVSA-N 1 2 282.296 0.321 20 5 CCBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@H]2CO)c1 ZINC000769904037 581712914 /nfs/dbraw/zinc/71/29/14/581712914.db2.gz RERCZGDNCAZLHK-CHWSQXEVSA-N 1 2 282.296 0.321 20 5 CCBDLO CCNC(=O)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579148 582080020 /nfs/dbraw/zinc/08/00/20/582080020.db2.gz KNAVJZQPDACOMY-GFCCVEGCSA-N 1 2 281.312 0.696 20 5 CCBDLO CCNC(=O)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579148 582080023 /nfs/dbraw/zinc/08/00/23/582080023.db2.gz KNAVJZQPDACOMY-GFCCVEGCSA-N 1 2 281.312 0.696 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@H](n3cncn3)C2)c(C)c1[N+](=O)[O-] ZINC000776776549 582090710 /nfs/dbraw/zinc/09/07/10/582090710.db2.gz RSTRAQJFCBAUKX-NSHDSACASA-N 1 2 291.315 0.904 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@H](n3cncn3)C2)c(C)c1[N+](=O)[O-] ZINC000776776549 582090711 /nfs/dbraw/zinc/09/07/11/582090711.db2.gz RSTRAQJFCBAUKX-NSHDSACASA-N 1 2 291.315 0.904 20 5 CCBDLO CC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000872606232 614253615 /nfs/dbraw/zinc/25/36/15/614253615.db2.gz NJEODPSAVNEXNF-LBPRGKRZSA-N 1 2 293.323 0.910 20 5 CCBDLO CC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000872606232 614253616 /nfs/dbraw/zinc/25/36/16/614253616.db2.gz NJEODPSAVNEXNF-LBPRGKRZSA-N 1 2 293.323 0.910 20 5 CCBDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000921413739 616432625 /nfs/dbraw/zinc/43/26/25/616432625.db2.gz SAQSWQVWLSZONK-VIFPVBQESA-N 1 2 285.325 0.577 20 5 CCBDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000921413739 616432627 /nfs/dbraw/zinc/43/26/27/616432627.db2.gz SAQSWQVWLSZONK-VIFPVBQESA-N 1 2 285.325 0.577 20 5 CCBDLO COC(=O)[C@]1(O)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000880562327 616785077 /nfs/dbraw/zinc/78/50/77/616785077.db2.gz ZLFPXPKNPHOIDS-ZDUSSCGKSA-N 1 2 298.270 0.844 20 5 CCBDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000880562327 616785078 /nfs/dbraw/zinc/78/50/78/616785078.db2.gz ZLFPXPKNPHOIDS-ZDUSSCGKSA-N 1 2 298.270 0.844 20 5 CCBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H]3CO)c2c1 ZINC000902629508 634419067 /nfs/dbraw/zinc/41/90/67/634419067.db2.gz FWEWOHUCYQFGPZ-LLVKDONJSA-N 1 2 262.269 0.969 20 5 CCBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H]3CO)c2c1 ZINC000902629508 634419071 /nfs/dbraw/zinc/41/90/71/634419071.db2.gz FWEWOHUCYQFGPZ-LLVKDONJSA-N 1 2 262.269 0.969 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912746417 636667156 /nfs/dbraw/zinc/66/71/56/636667156.db2.gz JWWMJXYXVKOXIO-GFCCVEGCSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912746417 636667163 /nfs/dbraw/zinc/66/71/63/636667163.db2.gz JWWMJXYXVKOXIO-GFCCVEGCSA-N 1 2 293.323 0.652 20 5 CCBDLO NC(=O)CC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000170728237 637093999 /nfs/dbraw/zinc/09/39/99/637093999.db2.gz VDUWDYFGVYYGMQ-SNVBAGLBSA-N 1 2 281.316 0.726 20 5 CCBDLO NC(=O)CC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000170728237 637094003 /nfs/dbraw/zinc/09/40/03/637094003.db2.gz VDUWDYFGVYYGMQ-SNVBAGLBSA-N 1 2 281.316 0.726 20 5 CCBDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000921415676 638179831 /nfs/dbraw/zinc/17/98/31/638179831.db2.gz RGNMRXFAVYSWCM-JTQLQIEISA-N 1 2 299.352 0.886 20 5 CCBDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000921415676 638179834 /nfs/dbraw/zinc/17/98/34/638179834.db2.gz RGNMRXFAVYSWCM-JTQLQIEISA-N 1 2 299.352 0.886 20 5 CCBDLO C[C@@H](COC(=O)C[N@H+](C)[C@H]1CCSC1)[N+](=O)[O-] ZINC000813109736 641023677 /nfs/dbraw/zinc/02/36/77/641023677.db2.gz VVVQLNGCPIBAJU-IUCAKERBSA-N 1 2 262.331 0.632 20 5 CCBDLO C[C@@H](COC(=O)C[N@@H+](C)[C@H]1CCSC1)[N+](=O)[O-] ZINC000813109736 641023678 /nfs/dbraw/zinc/02/36/78/641023678.db2.gz VVVQLNGCPIBAJU-IUCAKERBSA-N 1 2 262.331 0.632 20 5 CCBDLO NC(=O)[C@]1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOC1 ZINC000847051469 643484306 /nfs/dbraw/zinc/48/43/06/643484306.db2.gz HKLHUURNFYUFIB-LBPRGKRZSA-N 1 2 283.259 0.468 20 5 CCBDLO NC(=O)[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC000847055745 643485170 /nfs/dbraw/zinc/48/51/70/643485170.db2.gz VFJYHIQRSVIYEV-GFCCVEGCSA-N 1 2 283.259 0.468 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1F ZINC000879610590 647082203 /nfs/dbraw/zinc/08/22/03/647082203.db2.gz SRFKUGYJKGFLIP-NEPJUHHUSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1F ZINC000879610590 647082207 /nfs/dbraw/zinc/08/22/07/647082207.db2.gz SRFKUGYJKGFLIP-NEPJUHHUSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000930452361 648862892 /nfs/dbraw/zinc/86/28/92/648862892.db2.gz IBFUTLLGEXFLJX-HTQZYQBOSA-N 1 2 256.224 0.756 20 5 CCBDLO O=[N+]([O-])CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000930452361 648862893 /nfs/dbraw/zinc/86/28/93/648862893.db2.gz IBFUTLLGEXFLJX-HTQZYQBOSA-N 1 2 256.224 0.756 20 5 CCBDLO O=[N+]([O-])CC[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000930565538 648876504 /nfs/dbraw/zinc/87/65/04/648876504.db2.gz XFFIIOANPBESRS-UHFFFAOYSA-N 1 2 273.296 0.902 20 5 CCBDLO O=[N+]([O-])CC[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000930565538 648876507 /nfs/dbraw/zinc/87/65/07/648876507.db2.gz XFFIIOANPBESRS-UHFFFAOYSA-N 1 2 273.296 0.902 20 5 CCBDLO NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246207848 649666018 /nfs/dbraw/zinc/66/60/18/649666018.db2.gz BYWXIKJNNIPOEB-RYUDHWBXSA-N 1 2 279.296 0.578 20 5 CCBDLO NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246207848 649666023 /nfs/dbraw/zinc/66/60/23/649666023.db2.gz BYWXIKJNNIPOEB-RYUDHWBXSA-N 1 2 279.296 0.578 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC001161556232 802180831 /nfs/dbraw/zinc/18/08/31/802180831.db2.gz GZIZZVIZWZWQLD-SECBINFHSA-N 1 2 299.306 0.790 20 5 CCBDLO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC001161556232 802180837 /nfs/dbraw/zinc/18/08/37/802180837.db2.gz GZIZZVIZWZWQLD-SECBINFHSA-N 1 2 299.306 0.790 20 5 CCBDLO O=[N+]([O-])c1cc[n+]([O-])cc1NCCCn1cc[nH+]c1 ZINC001161684516 802198420 /nfs/dbraw/zinc/19/84/20/802198420.db2.gz GDZNVGAJYLVYSG-UHFFFAOYSA-N 1 2 263.257 0.927 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001161950627 802256966 /nfs/dbraw/zinc/25/69/66/802256966.db2.gz RRZWIBPNCNNKAV-MRVPVSSYSA-N 1 2 298.299 0.609 20 5 CCBDLO COc1ccnc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162679779 802385767 /nfs/dbraw/zinc/38/57/67/802385767.db2.gz ABNFIWYQBLCTSY-VIFPVBQESA-N 1 2 282.300 0.741 20 5 CCBDLO COc1ccnc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001162679779 802385776 /nfs/dbraw/zinc/38/57/76/802385776.db2.gz ABNFIWYQBLCTSY-VIFPVBQESA-N 1 2 282.300 0.741 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2nccnc2[N+](=O)[O-])C1 ZINC001162679811 802386693 /nfs/dbraw/zinc/38/66/93/802386693.db2.gz AZZFAELBTPMLBR-MRVPVSSYSA-N 1 2 253.262 0.127 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2nccnc2[N+](=O)[O-])C1 ZINC001162679811 802386699 /nfs/dbraw/zinc/38/66/99/802386699.db2.gz AZZFAELBTPMLBR-MRVPVSSYSA-N 1 2 253.262 0.127 20 5 CCBDLO COc1ncc([N+](=O)[O-])cc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162687463 802396376 /nfs/dbraw/zinc/39/63/76/802396376.db2.gz CVMNCFBNBPOLDA-SNVBAGLBSA-N 1 2 282.300 0.741 20 5 CCBDLO COc1ncc([N+](=O)[O-])cc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162687463 802396385 /nfs/dbraw/zinc/39/63/85/802396385.db2.gz CVMNCFBNBPOLDA-SNVBAGLBSA-N 1 2 282.300 0.741 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])C[NH2+]1 ZINC001164305804 802715551 /nfs/dbraw/zinc/71/55/51/802715551.db2.gz ZSVICKSPTJBEAE-CBAPKCEASA-N 1 2 266.257 0.305 20 5 CCBDLO CC(=O)NC1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254598048 808266515 /nfs/dbraw/zinc/26/65/15/808266515.db2.gz GWELNXUNPITRTJ-CQSZACIVSA-N 1 2 275.308 0.882 20 5 CCBDLO O=C(NC1C[NH+](CCOC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030292508 815961101 /nfs/dbraw/zinc/96/11/01/815961101.db2.gz MDLZNKMMDWEUMO-VXGBXAGGSA-N 1 2 283.328 0.021 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001168761175 819797043 /nfs/dbraw/zinc/79/70/43/819797043.db2.gz LQOUIUKMABZHON-UHFFFAOYSA-N 1 2 286.251 0.888 20 5 CCBDLO CC(=O)Nc1ccc(-n2[nH]c(=O)nc2C[NH3+])cc1[N+](=O)[O-] ZINC001168761985 819971750 /nfs/dbraw/zinc/97/17/50/819971750.db2.gz ZRNJBNYZBARQPB-UHFFFAOYSA-N 1 2 292.255 0.298 20 5 CCBDLO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[nH+]c1C ZINC001294519236 906600197 /nfs/dbraw/zinc/60/01/97/906600197.db2.gz JJKCFFGRKHXPDN-UHFFFAOYSA-N 1 2 264.245 0.588 20 5 CCBDLO COC(=O)C[C@@](C)([NH2+]CC[N+](=O)[O-])c1ccccn1 ZINC001332898442 918515690 /nfs/dbraw/zinc/51/56/90/918515690.db2.gz UZFGBOTWMULSTC-GFCCVEGCSA-N 1 2 267.285 0.726 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000599543761 361733904 /nfs/dbraw/zinc/73/39/04/361733904.db2.gz WYZZHQWLZNYCSD-NDMJEZRESA-N 1 2 293.323 0.885 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000599543761 361733908 /nfs/dbraw/zinc/73/39/08/361733908.db2.gz WYZZHQWLZNYCSD-NDMJEZRESA-N 1 2 293.323 0.885 20 5 CCBDLO CCOC(=O)[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554264 349439137 /nfs/dbraw/zinc/43/91/37/349439137.db2.gz RURKWZLFFCGYNN-JTQLQIEISA-N 1 2 297.311 0.640 20 5 CCBDLO CCOC(=O)[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554264 349439140 /nfs/dbraw/zinc/43/91/40/349439140.db2.gz RURKWZLFFCGYNN-JTQLQIEISA-N 1 2 297.311 0.640 20 5 CCBDLO Cc1c(C(=O)NC[C@H]2COCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000600425166 361958700 /nfs/dbraw/zinc/95/87/00/361958700.db2.gz LZNCVEWZXWAMOO-NSHDSACASA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1c(C(=O)NC[C@H]2COCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000600425166 361958703 /nfs/dbraw/zinc/95/87/03/361958703.db2.gz LZNCVEWZXWAMOO-NSHDSACASA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000153627299 231693301 /nfs/dbraw/zinc/69/33/01/231693301.db2.gz ONBUDQQYGCFASA-GFCCVEGCSA-N 1 2 296.323 0.975 20 5 CCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC3(C2)CCCO3)c1 ZINC000601964907 362440088 /nfs/dbraw/zinc/44/00/88/362440088.db2.gz RWLXUTGRLPNVGQ-NSHDSACASA-N 1 2 282.300 0.017 20 5 CCBDLO COC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000119240648 349925286 /nfs/dbraw/zinc/92/52/86/349925286.db2.gz PHXSUPOQHRUXHD-JTQLQIEISA-N 1 2 270.289 0.579 20 5 CCBDLO Cn1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602471163 362635850 /nfs/dbraw/zinc/63/58/50/362635850.db2.gz JGUPSBCAYVVLFP-VIFPVBQESA-N 1 2 294.233 0.827 20 5 CCBDLO Cn1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602471163 362635854 /nfs/dbraw/zinc/63/58/54/362635854.db2.gz JGUPSBCAYVVLFP-VIFPVBQESA-N 1 2 294.233 0.827 20 5 CCBDLO Cn1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c([N+](=O)[O-])n1 ZINC000602696237 362755193 /nfs/dbraw/zinc/75/51/93/362755193.db2.gz WWWJPCBHLRJELF-NSHDSACASA-N 1 2 291.315 0.757 20 5 CCBDLO Cn1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c([N+](=O)[O-])n1 ZINC000602696237 362755196 /nfs/dbraw/zinc/75/51/96/362755196.db2.gz WWWJPCBHLRJELF-NSHDSACASA-N 1 2 291.315 0.757 20 5 CCBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602714066 362764773 /nfs/dbraw/zinc/76/47/73/362764773.db2.gz FRODUIZUSZNNRS-LLVKDONJSA-N 1 2 281.312 0.409 20 5 CCBDLO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602714066 362764777 /nfs/dbraw/zinc/76/47/77/362764777.db2.gz FRODUIZUSZNNRS-LLVKDONJSA-N 1 2 281.312 0.409 20 5 CCBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602725180 362773509 /nfs/dbraw/zinc/77/35/09/362773509.db2.gz YPUMMIHSKGFRAY-LBPRGKRZSA-N 1 2 298.299 0.092 20 5 CCBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602725180 362773512 /nfs/dbraw/zinc/77/35/12/362773512.db2.gz YPUMMIHSKGFRAY-LBPRGKRZSA-N 1 2 298.299 0.092 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000602775359 362793841 /nfs/dbraw/zinc/79/38/41/362793841.db2.gz IQWJZFJNIHPOLA-LBPRGKRZSA-N 1 2 295.343 0.556 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000602775359 362793847 /nfs/dbraw/zinc/79/38/47/362793847.db2.gz IQWJZFJNIHPOLA-LBPRGKRZSA-N 1 2 295.343 0.556 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000602827394 362822081 /nfs/dbraw/zinc/82/20/81/362822081.db2.gz ZXSVEFVFXRFROX-PHIMTYICSA-N 1 2 282.300 0.199 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000602827394 362822084 /nfs/dbraw/zinc/82/20/84/362822084.db2.gz ZXSVEFVFXRFROX-PHIMTYICSA-N 1 2 282.300 0.199 20 5 CCBDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602902126 362875706 /nfs/dbraw/zinc/87/57/06/362875706.db2.gz GWJHRWSTYDBLAS-WAAGHKOSSA-N 1 2 282.300 0.712 20 5 CCBDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602902126 362875709 /nfs/dbraw/zinc/87/57/09/362875709.db2.gz GWJHRWSTYDBLAS-WAAGHKOSSA-N 1 2 282.300 0.712 20 5 CCBDLO CN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602903012 362876397 /nfs/dbraw/zinc/87/63/97/362876397.db2.gz HOHHIVQNSDGSIR-CYBMUJFWSA-N 1 2 295.339 0.582 20 5 CCBDLO CN1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602903012 362876403 /nfs/dbraw/zinc/87/64/03/362876403.db2.gz HOHHIVQNSDGSIR-CYBMUJFWSA-N 1 2 295.339 0.582 20 5 CCBDLO NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745101 348387420 /nfs/dbraw/zinc/38/74/20/348387420.db2.gz UDJSDODUPYYFOD-UHFFFAOYSA-N 1 2 264.285 0.202 20 5 CCBDLO NC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051104424 348484400 /nfs/dbraw/zinc/48/44/00/348484400.db2.gz YIORWTBHPFGIDC-NSHDSACASA-N 1 2 265.269 0.281 20 5 CCBDLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051104424 348484403 /nfs/dbraw/zinc/48/44/03/348484403.db2.gz YIORWTBHPFGIDC-NSHDSACASA-N 1 2 265.269 0.281 20 5 CCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCCCn1cc[nH+]c1 ZINC000066041848 348731355 /nfs/dbraw/zinc/73/13/55/348731355.db2.gz RCNPJLMLCFIFFZ-UHFFFAOYSA-N 1 2 292.299 0.584 20 5 CCBDLO Cc1cc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000075624753 349043051 /nfs/dbraw/zinc/04/30/51/349043051.db2.gz NDLLCVZIDKAZHM-LBPRGKRZSA-N 1 2 295.299 0.581 20 5 CCBDLO Cc1cc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000075624753 349043053 /nfs/dbraw/zinc/04/30/53/349043053.db2.gz NDLLCVZIDKAZHM-LBPRGKRZSA-N 1 2 295.299 0.581 20 5 CCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000081015973 349240458 /nfs/dbraw/zinc/24/04/58/349240458.db2.gz UEUHWSIVTSESOC-GFCCVEGCSA-N 1 2 295.339 0.724 20 5 CCBDLO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000106393544 186113603 /nfs/dbraw/zinc/11/36/03/186113603.db2.gz SOWIMCMXBZGTOZ-SNVBAGLBSA-N 1 2 297.311 0.717 20 5 CCBDLO C[N@H+](CCO)Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603161397 362978274 /nfs/dbraw/zinc/97/82/74/362978274.db2.gz IRGJPPHHXTZBBR-UHFFFAOYSA-N 1 2 291.311 0.659 20 5 CCBDLO C[N@@H+](CCO)Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603161397 362978279 /nfs/dbraw/zinc/97/82/79/362978279.db2.gz IRGJPPHHXTZBBR-UHFFFAOYSA-N 1 2 291.311 0.659 20 5 CCBDLO Nc1ccc([N+](=O)[O-])c(NCC[NH+]2CCOCC2)c1 ZINC000192762094 351797218 /nfs/dbraw/zinc/79/72/18/351797218.db2.gz ZSXOMJQIUBQLLA-UHFFFAOYSA-N 1 2 266.301 0.921 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[NH2+]1 ZINC000236583031 352198740 /nfs/dbraw/zinc/19/87/40/352198740.db2.gz QKTHJDUBYRXJKD-MRVPVSSYSA-N 1 2 251.242 0.991 20 5 CCBDLO O=C1CC2(CN(c3sccc3[N+](=O)[O-])C2)[NH2+]CCN1 ZINC000603415534 363120033 /nfs/dbraw/zinc/12/00/33/363120033.db2.gz KHTZGTCNAAJUEQ-UHFFFAOYSA-N 1 2 282.325 0.325 20 5 CCBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCCn1cc[nH+]c1 ZINC000354349729 137571105 /nfs/dbraw/zinc/57/11/05/137571105.db2.gz ZVTBFSGMLUNNDN-UHFFFAOYSA-N 1 2 275.268 0.804 20 5 CCBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000266518914 352707936 /nfs/dbraw/zinc/70/79/36/352707936.db2.gz HPOYCCXNYGMUPT-BXKDBHETSA-N 1 2 279.296 0.842 20 5 CCBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000266518914 352707938 /nfs/dbraw/zinc/70/79/38/352707938.db2.gz HPOYCCXNYGMUPT-BXKDBHETSA-N 1 2 279.296 0.842 20 5 CCBDLO CC(C)C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266944099 352734382 /nfs/dbraw/zinc/73/43/82/352734382.db2.gz XONARYQVYADWBO-UHFFFAOYSA-N 1 2 295.343 0.592 20 5 CCBDLO COc1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000278440483 353300372 /nfs/dbraw/zinc/30/03/72/353300372.db2.gz VUECQBVGZWHJNC-GHMZBOCLSA-N 1 2 298.295 0.149 20 5 CCBDLO CN(CC[NH+]1CCOCC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000283734080 353525914 /nfs/dbraw/zinc/52/59/14/353525914.db2.gz IEDNRNSZNXRMBH-UHFFFAOYSA-N 1 2 280.328 0.945 20 5 CCBDLO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000296138015 353933105 /nfs/dbraw/zinc/93/31/05/353933105.db2.gz ISTFMCLDLJGNHH-SNVBAGLBSA-N 1 2 279.296 0.794 20 5 CCBDLO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000296138015 353933109 /nfs/dbraw/zinc/93/31/09/353933109.db2.gz ISTFMCLDLJGNHH-SNVBAGLBSA-N 1 2 279.296 0.794 20 5 CCBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)nc2c1 ZINC000331576786 354611636 /nfs/dbraw/zinc/61/16/36/354611636.db2.gz WTLAACHGNZXURC-PHIMTYICSA-N 1 2 278.268 0.009 20 5 CCBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H](O)[C@@H](O)C3)nc2c1 ZINC000331576786 354611640 /nfs/dbraw/zinc/61/16/40/354611640.db2.gz WTLAACHGNZXURC-PHIMTYICSA-N 1 2 278.268 0.009 20 5 CCBDLO CCC[N@H+](CC(N)=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429122733 283158292 /nfs/dbraw/zinc/15/82/92/283158292.db2.gz QXFTUTIPKMMNCH-UHFFFAOYSA-N 1 2 294.311 0.391 20 5 CCBDLO CCC[N@@H+](CC(N)=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429122733 283158293 /nfs/dbraw/zinc/15/82/93/283158293.db2.gz QXFTUTIPKMMNCH-UHFFFAOYSA-N 1 2 294.311 0.391 20 5 CCBDLO Cc1n[nH]c(C(=O)NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000354686561 356473856 /nfs/dbraw/zinc/47/38/56/356473856.db2.gz CXNURJPNFJBIIM-UHFFFAOYSA-N 1 2 264.245 0.253 20 5 CCBDLO CNc1nccc(C(=O)NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000573155050 358943053 /nfs/dbraw/zinc/94/30/53/358943053.db2.gz XWIDLWGNVDRTSW-UHFFFAOYSA-N 1 2 290.283 0.117 20 5 CCBDLO CN1CC[NH+](CCCCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000580398022 359083048 /nfs/dbraw/zinc/08/30/48/359083048.db2.gz MPERWLZYFWPDBV-UHFFFAOYSA-N 1 2 299.400 0.913 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000593032878 360019235 /nfs/dbraw/zinc/01/92/35/360019235.db2.gz FHHXZRSZDMQWEA-JOYOIKCWSA-N 1 2 268.269 0.085 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000593032878 360019239 /nfs/dbraw/zinc/01/92/39/360019239.db2.gz FHHXZRSZDMQWEA-JOYOIKCWSA-N 1 2 268.269 0.085 20 5 CCBDLO C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000593926473 360219455 /nfs/dbraw/zinc/21/94/55/360219455.db2.gz VVCXVBJMGDRJHP-SECBINFHSA-N 1 2 282.300 0.518 20 5 CCBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[NH2+]C1 ZINC000595992071 360765920 /nfs/dbraw/zinc/76/59/20/360765920.db2.gz NRXNTGFOVPOYKL-LBPRGKRZSA-N 1 2 265.269 0.782 20 5 CCBDLO Cc1nn(C)c(N(C)Cc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC000596305875 360876413 /nfs/dbraw/zinc/87/64/13/360876413.db2.gz NYSQTTOQAQSHNY-UHFFFAOYSA-N 1 2 250.262 0.996 20 5 CCBDLO Cc1nn(C)c(N(C)Cc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC000596305875 360876416 /nfs/dbraw/zinc/87/64/16/360876416.db2.gz NYSQTTOQAQSHNY-UHFFFAOYSA-N 1 2 250.262 0.996 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000596428124 360891905 /nfs/dbraw/zinc/89/19/05/360891905.db2.gz HHHZMUIUBFUBNX-ZJUUUORDSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000596428124 360891910 /nfs/dbraw/zinc/89/19/10/360891910.db2.gz HHHZMUIUBFUBNX-ZJUUUORDSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1[nH+]ccn1C 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LXTQZAFDIAETJM-UHFFFAOYSA-N 1 2 290.283 0.339 20 5 CCBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000330619018 203046740 /nfs/dbraw/zinc/04/67/40/203046740.db2.gz HZQLCDOMHKSTGS-ZJUUUORDSA-N 1 2 296.327 0.762 20 5 CCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000186839761 388855628 /nfs/dbraw/zinc/85/56/28/388855628.db2.gz PAYAKGMHGQLRCO-SECBINFHSA-N 1 2 299.352 0.795 20 5 CCBDLO Cc1nn(C)c(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000041119986 388861847 /nfs/dbraw/zinc/86/18/47/388861847.db2.gz YSXIIUKSVVQLTQ-UHFFFAOYSA-N 1 2 250.262 0.945 20 5 CCBDLO COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000073134479 388974791 /nfs/dbraw/zinc/97/47/91/388974791.db2.gz CHQGTTYOQTVVTJ-UHFFFAOYSA-N 1 2 293.323 0.999 20 5 CCBDLO CNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301672697 389056324 /nfs/dbraw/zinc/05/63/24/389056324.db2.gz ZQFSVEZDCVGIJJ-UHFFFAOYSA-N 1 2 293.327 0.166 20 5 CCBDLO COC(=O)CNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193665466 389077075 /nfs/dbraw/zinc/07/70/75/389077075.db2.gz WWPOHYDVBXADFW-UHFFFAOYSA-N 1 2 295.295 0.316 20 5 CCBDLO COC(=O)CNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193665466 389077077 /nfs/dbraw/zinc/07/70/77/389077077.db2.gz WWPOHYDVBXADFW-UHFFFAOYSA-N 1 2 295.295 0.316 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](C)CCO1 ZINC000112012757 389117183 /nfs/dbraw/zinc/11/71/83/389117183.db2.gz VCOBUBPYJVZCLZ-MRVPVSSYSA-N 1 2 255.278 0.071 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000112012757 389117185 /nfs/dbraw/zinc/11/71/85/389117185.db2.gz VCOBUBPYJVZCLZ-MRVPVSSYSA-N 1 2 255.278 0.071 20 5 CCBDLO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2C1 ZINC000371436298 389432009 /nfs/dbraw/zinc/43/20/09/389432009.db2.gz YBYBGJFFIVLPAS-HTRCEHHLSA-N 1 2 282.325 0.735 20 5 CCBDLO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2C1 ZINC000371436298 389432010 /nfs/dbraw/zinc/43/20/10/389432010.db2.gz YBYBGJFFIVLPAS-HTRCEHHLSA-N 1 2 282.325 0.735 20 5 CCBDLO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ncn(C)n1 ZINC000444745249 389916759 /nfs/dbraw/zinc/91/67/59/389916759.db2.gz TUHSKPZLECROJD-MRVPVSSYSA-N 1 2 265.277 0.271 20 5 CCBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000094267501 184773178 /nfs/dbraw/zinc/77/31/78/184773178.db2.gz GLGMGAKOZOBIGV-CYBMUJFWSA-N 1 2 266.297 0.830 20 5 CCBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000094267501 184773179 /nfs/dbraw/zinc/77/31/79/184773179.db2.gz GLGMGAKOZOBIGV-CYBMUJFWSA-N 1 2 266.297 0.830 20 5 CCBDLO CO[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000451758091 533480496 /nfs/dbraw/zinc/48/04/96/533480496.db2.gz IYSUNGNFIDVQDA-VXGBXAGGSA-N 1 2 292.295 0.663 20 5 CCBDLO CO[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000451758091 533480500 /nfs/dbraw/zinc/48/05/00/533480500.db2.gz IYSUNGNFIDVQDA-VXGBXAGGSA-N 1 2 292.295 0.663 20 5 CCBDLO C[N@@H+]1CCO[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341842658 130087245 /nfs/dbraw/zinc/08/72/45/130087245.db2.gz LCZGJMOAWSBISQ-SECBINFHSA-N 1 2 294.311 0.436 20 5 CCBDLO C[N@H+]1CCO[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341842658 130087247 /nfs/dbraw/zinc/08/72/47/130087247.db2.gz LCZGJMOAWSBISQ-SECBINFHSA-N 1 2 294.311 0.436 20 5 CCBDLO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262178145 131197768 /nfs/dbraw/zinc/19/77/68/131197768.db2.gz KTNXGRWZZOITOF-SECBINFHSA-N 1 2 265.269 0.782 20 5 CCBDLO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](C2CC2)CC1 ZINC000532398926 285795814 /nfs/dbraw/zinc/79/58/14/285795814.db2.gz WHQKFEOIWJJOEF-UHFFFAOYSA-N 1 2 276.296 0.910 20 5 CCBDLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000371942171 144347821 /nfs/dbraw/zinc/34/78/21/144347821.db2.gz CJZNULZGZQCJSB-DDHJBXDOSA-N 1 2 278.312 0.958 20 5 CCBDLO CC[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000549328466 286092086 /nfs/dbraw/zinc/09/20/86/286092086.db2.gz XKNLFZJRHKQBMD-ZETCQYMHSA-N 1 2 264.245 0.922 20 5 CCBDLO COC(=O)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000284944707 196162230 /nfs/dbraw/zinc/16/22/30/196162230.db2.gz IXSVUGWIKXKPQF-SNVBAGLBSA-N 1 2 268.273 0.333 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000331239559 264176325 /nfs/dbraw/zinc/17/63/25/264176325.db2.gz MDYKSRLWHXWLKT-NSHDSACASA-N 1 2 297.359 0.481 20 5 CCBDLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331239559 264176327 /nfs/dbraw/zinc/17/63/27/264176327.db2.gz MDYKSRLWHXWLKT-NSHDSACASA-N 1 2 297.359 0.481 20 5 CCBDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331239559 264176328 /nfs/dbraw/zinc/17/63/28/264176328.db2.gz MDYKSRLWHXWLKT-NSHDSACASA-N 1 2 297.359 0.481 20 5 CCBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330704873 279705071 /nfs/dbraw/zinc/70/50/71/279705071.db2.gz JZHYUTGBOAHVPM-UHFFFAOYSA-N 1 2 296.327 0.717 20 5 CCBDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000576137669 335159387 /nfs/dbraw/zinc/15/93/87/335159387.db2.gz KJWFKXIXGIXPFL-SECBINFHSA-N 1 2 281.316 0.793 20 5 CCBDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000576137669 335159389 /nfs/dbraw/zinc/15/93/89/335159389.db2.gz KJWFKXIXGIXPFL-SECBINFHSA-N 1 2 281.316 0.793 20 5 CCBDLO CC(=O)N1CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000581380524 336065564 /nfs/dbraw/zinc/06/55/64/336065564.db2.gz WXASSLYLUNFIGL-UHFFFAOYSA-N 1 2 255.299 0.977 20 5 CCBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnn(C)n1 ZINC000449291298 534254297 /nfs/dbraw/zinc/25/42/97/534254297.db2.gz KITMPCYSUFDMKT-VIFPVBQESA-N 1 2 276.300 0.839 20 5 CCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000156120087 522240872 /nfs/dbraw/zinc/24/08/72/522240872.db2.gz NKRXORYADVUGAP-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000156120087 522240877 /nfs/dbraw/zinc/24/08/77/522240877.db2.gz NKRXORYADVUGAP-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184910062 523599883 /nfs/dbraw/zinc/59/98/83/523599883.db2.gz TVKPOQZFVJTYHY-UHFFFAOYSA-N 1 2 297.311 0.608 20 5 CCBDLO COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184910062 523599890 /nfs/dbraw/zinc/59/98/90/523599890.db2.gz TVKPOQZFVJTYHY-UHFFFAOYSA-N 1 2 297.311 0.608 20 5 CCBDLO C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778259150 581147805 /nfs/dbraw/zinc/14/78/05/581147805.db2.gz BZIVTOVCCHBPDH-GWCFXTLKSA-N 1 2 293.323 0.791 20 5 CCBDLO C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778259150 581147806 /nfs/dbraw/zinc/14/78/06/581147806.db2.gz BZIVTOVCCHBPDH-GWCFXTLKSA-N 1 2 293.323 0.791 20 5 CCBDLO C[C@@]([NH2+]CC[N+](=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000791054626 581206283 /nfs/dbraw/zinc/20/62/83/581206283.db2.gz MFTCXJWTRMSWIO-NSHDSACASA-N 1 2 271.704 0.907 20 5 CCBDLO Cc1nn(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000779862474 581211720 /nfs/dbraw/zinc/21/17/20/581211720.db2.gz BIDKEWXRUFFDSM-UHFFFAOYSA-N 1 2 293.327 0.659 20 5 CCBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cn1cc([N+](=O)[O-])cn1 ZINC000748261667 581274069 /nfs/dbraw/zinc/27/40/69/581274069.db2.gz IKMRJPHQICWFHL-BDAKNGLRSA-N 1 2 265.273 0.102 20 5 CCBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cn1cc([N+](=O)[O-])cn1 ZINC000748261667 581274070 /nfs/dbraw/zinc/27/40/70/581274070.db2.gz IKMRJPHQICWFHL-BDAKNGLRSA-N 1 2 265.273 0.102 20 5 CCBDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782583283 581309348 /nfs/dbraw/zinc/30/93/48/581309348.db2.gz CDAMWOQDVDDAOD-MFKMUULPSA-N 1 2 293.323 0.791 20 5 CCBDLO C[C@@H]1CN(C)C(=O)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782583283 581309351 /nfs/dbraw/zinc/30/93/51/581309351.db2.gz CDAMWOQDVDDAOD-MFKMUULPSA-N 1 2 293.323 0.791 20 5 CCBDLO COCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000782965245 581329457 /nfs/dbraw/zinc/32/94/57/581329457.db2.gz WJFPXUWBWDIQPI-JTQLQIEISA-N 1 2 270.289 0.486 20 5 CCBDLO COCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000782965245 581329460 /nfs/dbraw/zinc/32/94/60/581329460.db2.gz WJFPXUWBWDIQPI-JTQLQIEISA-N 1 2 270.289 0.486 20 5 CCBDLO C[S@](=O)CC[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000754488168 581593727 /nfs/dbraw/zinc/59/37/27/581593727.db2.gz GAGIYLZCSAITOD-FQEVSTJZSA-N 1 2 298.368 0.490 20 5 CCBDLO Cn1c(C(=O)OCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000771895560 581832621 /nfs/dbraw/zinc/83/26/21/581832621.db2.gz HGBVEVJUJKCTIH-UHFFFAOYSA-N 1 2 264.241 0.987 20 5 CCBDLO CC(C)N1CC[NH+](CCCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840673177 614362311 /nfs/dbraw/zinc/36/23/11/614362311.db2.gz JCGLQEDRZZVYIG-CHWSQXEVSA-N 1 2 299.371 0.611 20 5 CCBDLO CC[NH2+]Cc1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000843145754 615103260 /nfs/dbraw/zinc/10/32/60/615103260.db2.gz VOOJPUXEMPQGCZ-UHFFFAOYSA-N 1 2 252.234 0.332 20 5 CCBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2onc(C)c2[N+](=O)[O-])C1 ZINC000853901049 615173536 /nfs/dbraw/zinc/17/35/36/615173536.db2.gz PTILCOXMELRSNX-SECBINFHSA-N 1 2 299.283 0.655 20 5 CCBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2onc(C)c2[N+](=O)[O-])C1 ZINC000853901049 615173538 /nfs/dbraw/zinc/17/35/38/615173538.db2.gz PTILCOXMELRSNX-SECBINFHSA-N 1 2 299.283 0.655 20 5 CCBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000882764730 615259751 /nfs/dbraw/zinc/25/97/51/615259751.db2.gz CQCXBTNYSHBRGY-SNVBAGLBSA-N 1 2 299.352 0.967 20 5 CCBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000882764730 615259754 /nfs/dbraw/zinc/25/97/54/615259754.db2.gz CQCXBTNYSHBRGY-SNVBAGLBSA-N 1 2 299.352 0.967 20 5 CCBDLO CN(C(=O)C[N@@H+]1CC=C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000880487004 615814133 /nfs/dbraw/zinc/81/41/33/615814133.db2.gz GSIMXEBQOPNBAQ-ZDUSSCGKSA-N 1 2 291.307 0.790 20 5 CCBDLO CN(C(=O)C[N@H+]1CC=C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000880487004 615814134 /nfs/dbraw/zinc/81/41/34/615814134.db2.gz GSIMXEBQOPNBAQ-ZDUSSCGKSA-N 1 2 291.307 0.790 20 5 CCBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1c([N+](=O)[O-])cnn1C ZINC000893563411 616088982 /nfs/dbraw/zinc/08/89/82/616088982.db2.gz FEKUUDIAPRTFDD-UHFFFAOYSA-N 1 2 297.359 0.875 20 5 CCBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1c([N+](=O)[O-])cnn1C ZINC000893563411 616088983 /nfs/dbraw/zinc/08/89/83/616088983.db2.gz FEKUUDIAPRTFDD-UHFFFAOYSA-N 1 2 297.359 0.875 20 5 CCBDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839714942 616515685 /nfs/dbraw/zinc/51/56/85/616515685.db2.gz KONOERJBNMGPQC-FRRDWIJNSA-N 1 2 275.308 0.955 20 5 CCBDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839714942 616515687 /nfs/dbraw/zinc/51/56/87/616515687.db2.gz KONOERJBNMGPQC-FRRDWIJNSA-N 1 2 275.308 0.955 20 5 CCBDLO C[C@@H](Nc1c([N+](=O)[O-])cnn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000892340539 622925184 /nfs/dbraw/zinc/92/51/84/622925184.db2.gz ULVWZUIAJMVNMB-NXEZZACHSA-N 1 2 283.332 0.849 20 5 CCBDLO NC(=O)CC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000066080227 623416744 /nfs/dbraw/zinc/41/67/44/623416744.db2.gz 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/nfs/dbraw/zinc/32/76/79/188327679.db2.gz GHXPDNRTAHLPME-NXEZZACHSA-N 1 2 254.290 0.901 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000157616704 188327680 /nfs/dbraw/zinc/32/76/80/188327680.db2.gz GHXPDNRTAHLPME-NXEZZACHSA-N 1 2 254.290 0.901 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000158569541 188382768 /nfs/dbraw/zinc/38/27/68/188382768.db2.gz KOTRLMORGPWXDH-STQMWFEESA-N 1 2 294.307 0.746 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000158569541 188382770 /nfs/dbraw/zinc/38/27/70/188382770.db2.gz KOTRLMORGPWXDH-STQMWFEESA-N 1 2 294.307 0.746 20 5 CCBDLO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCC1=O ZINC000283171674 353487514 /nfs/dbraw/zinc/48/75/14/353487514.db2.gz PKQAGDRZDSSXBD-VIFPVBQESA-N 1 2 252.274 0.702 20 5 CCBDLO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCC1=O ZINC000283171674 353487517 /nfs/dbraw/zinc/48/75/17/353487517.db2.gz PKQAGDRZDSSXBD-VIFPVBQESA-N 1 2 252.274 0.702 20 5 CCBDLO Cc1nn(C)c(N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000290741897 353746732 /nfs/dbraw/zinc/74/67/32/353746732.db2.gz RNEORCWFKAKQJG-UHFFFAOYSA-N 1 2 262.273 0.853 20 5 CCBDLO Cc1nc(N)c(CNC(=O)c2ccc([N+](=O)[O-])n2C)c[nH+]1 ZINC000556841934 291012438 /nfs/dbraw/zinc/01/24/38/291012438.db2.gz OQJKIEFMPHKTLW-UHFFFAOYSA-N 1 2 290.283 0.374 20 5 CCBDLO COC(=O)[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332726556 354729758 /nfs/dbraw/zinc/72/97/58/354729758.db2.gz SLTFRQMNQCXVGV-QMMMGPOBSA-N 1 2 268.273 0.323 20 5 CCBDLO COC(=O)[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332726556 354729761 /nfs/dbraw/zinc/72/97/61/354729761.db2.gz SLTFRQMNQCXVGV-QMMMGPOBSA-N 1 2 268.273 0.323 20 5 CCBDLO COC(=O)[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332726547 354729828 /nfs/dbraw/zinc/72/98/28/354729828.db2.gz SLTFRQMNQCXVGV-MRVPVSSYSA-N 1 2 268.273 0.323 20 5 CCBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332726547 354729831 /nfs/dbraw/zinc/72/98/31/354729831.db2.gz SLTFRQMNQCXVGV-MRVPVSSYSA-N 1 2 268.273 0.323 20 5 CCBDLO CCOC[C@@H](O)C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000336831993 355206120 /nfs/dbraw/zinc/20/61/20/355206120.db2.gz DVNHNPFGCJUZBW-VIFPVBQESA-N 1 2 280.284 0.702 20 5 CCBDLO COc1ccc(C[N@H+](C)[C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000340226106 355532381 /nfs/dbraw/zinc/53/23/81/355532381.db2.gz PGWCYTHXSCOCGX-JTQLQIEISA-N 1 2 279.296 0.924 20 5 CCBDLO COc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000340226106 355532385 /nfs/dbraw/zinc/53/23/85/355532385.db2.gz PGWCYTHXSCOCGX-JTQLQIEISA-N 1 2 279.296 0.924 20 5 CCBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000341721902 355722533 /nfs/dbraw/zinc/72/25/33/355722533.db2.gz UFWCLRGNFAOOJG-SNVBAGLBSA-N 1 2 290.283 0.933 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000342127318 355727665 /nfs/dbraw/zinc/72/76/65/355727665.db2.gz KMEWEIURASFOEX-JQWIXIFHSA-N 1 2 295.343 0.233 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000342127318 355727667 /nfs/dbraw/zinc/72/76/67/355727667.db2.gz KMEWEIURASFOEX-JQWIXIFHSA-N 1 2 295.343 0.233 20 5 CCBDLO Cc1nc(N2CCC[N@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000361310056 138028422 /nfs/dbraw/zinc/02/84/22/138028422.db2.gz NUBUBZLPOOCNKU-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO Cc1nc(N2CCC[N@@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000361310056 138028423 /nfs/dbraw/zinc/02/84/23/138028423.db2.gz NUBUBZLPOOCNKU-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO Cn1cc[nH+]c1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354447368 356416128 /nfs/dbraw/zinc/41/61/28/356416128.db2.gz XELYATJIQVRNGF-UHFFFAOYSA-N 1 2 275.268 0.841 20 5 CCBDLO Cn1nnc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000362967466 138082814 /nfs/dbraw/zinc/08/28/14/138082814.db2.gz RMZFTCYWLUPZIW-XQRVVYSFSA-N 1 2 274.284 0.921 20 5 CCBDLO C[C@H]([C@H](C)Nc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000355256184 356620014 /nfs/dbraw/zinc/62/00/14/356620014.db2.gz REFWGFRPUUWGEE-WDEREUQCSA-N 1 2 280.328 0.933 20 5 CCBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1cc([N+](=O)[O-])c[nH]1 ZINC000449646925 236042625 /nfs/dbraw/zinc/04/26/25/236042625.db2.gz COLUASORGATKDT-ZETCQYMHSA-N 1 2 288.254 0.898 20 5 CCBDLO CCn1cc[nH+]c1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000570177163 358830940 /nfs/dbraw/zinc/83/09/40/358830940.db2.gz ZNNBSTMPAXAWLM-UHFFFAOYSA-N 1 2 264.245 0.464 20 5 CCBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000580296200 359081505 /nfs/dbraw/zinc/08/15/05/359081505.db2.gz JZWPVIFJLOTCHR-WDEREUQCSA-N 1 2 295.343 0.628 20 5 CCBDLO Cn1nccc1[C@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593032875 360019018 /nfs/dbraw/zinc/01/90/18/360019018.db2.gz FHAGQBUWNIGBKC-NSHDSACASA-N 1 2 292.295 0.857 20 5 CCBDLO CC(=O)N[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595553537 360579096 /nfs/dbraw/zinc/57/90/96/360579096.db2.gz XMSXRGBUQSJSQA-VIFPVBQESA-N 1 2 268.273 0.602 20 5 CCBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595553537 360579097 /nfs/dbraw/zinc/57/90/97/360579097.db2.gz XMSXRGBUQSJSQA-VIFPVBQESA-N 1 2 268.273 0.602 20 5 CCBDLO COC(=O)[C@@](C)(CCF)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000595774355 360650101 /nfs/dbraw/zinc/65/01/01/360650101.db2.gz HIJAZRJDTUXKJR-LLVKDONJSA-N 1 2 288.279 0.672 20 5 CCBDLO C[C@@H]1C[N@H+](CCNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597996888 361304289 /nfs/dbraw/zinc/30/42/89/361304289.db2.gz QXFIUCUPFPDHPP-DTWKUNHWSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000597996888 361304294 /nfs/dbraw/zinc/30/42/94/361304294.db2.gz QXFIUCUPFPDHPP-DTWKUNHWSA-N 1 2 297.315 0.157 20 5 CCBDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000598944230 361536354 /nfs/dbraw/zinc/53/63/54/361536354.db2.gz ZYXRZXBRLSXWLS-SSDOTTSWSA-N 1 2 261.241 0.474 20 5 CCBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598950877 361538993 /nfs/dbraw/zinc/53/89/93/361538993.db2.gz VGRVQOGVJOVNIS-SSDOTTSWSA-N 1 2 276.256 0.259 20 5 CCBDLO Cc1nc(N)c(CNC(=O)c2cc([N+](=O)[O-])cn2C)c[nH+]1 ZINC000566281077 291388317 /nfs/dbraw/zinc/38/83/17/291388317.db2.gz MYOPWPIRLRXBBX-UHFFFAOYSA-N 1 2 290.283 0.374 20 5 CCBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357976429 284116482 /nfs/dbraw/zinc/11/64/82/284116482.db2.gz RHWMFHDCPVSIHJ-SSDOTTSWSA-N 1 2 275.268 0.933 20 5 CCBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357976429 284116485 /nfs/dbraw/zinc/11/64/85/284116485.db2.gz RHWMFHDCPVSIHJ-SSDOTTSWSA-N 1 2 275.268 0.933 20 5 CCBDLO NC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000054977827 284523639 /nfs/dbraw/zinc/52/36/39/284523639.db2.gz MNCCBFCEMRGBBW-UHFFFAOYSA-N 1 2 278.312 0.198 20 5 CCBDLO CNc1nc(C(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000455436180 533078149 /nfs/dbraw/zinc/07/81/49/533078149.db2.gz RCRAMOUQCAKPJG-UHFFFAOYSA-N 1 2 290.283 0.695 20 5 CCBDLO NC(=O)[C@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000572659408 291895063 /nfs/dbraw/zinc/89/50/63/291895063.db2.gz FUCFOGHFPTUECF-LBPRGKRZSA-N 1 2 281.268 0.034 20 5 CCBDLO Cc1nc(NCCC[N@@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000271439846 389442959 /nfs/dbraw/zinc/44/29/59/389442959.db2.gz ODTAVEFUCRBKDV-UHFFFAOYSA-N 1 2 293.327 0.532 20 5 CCBDLO Cc1nc(NCCC[N@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000271439846 389442961 /nfs/dbraw/zinc/44/29/61/389442961.db2.gz ODTAVEFUCRBKDV-UHFFFAOYSA-N 1 2 293.327 0.532 20 5 CCBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174858602 389532088 /nfs/dbraw/zinc/53/20/88/389532088.db2.gz SQXWOVFHLKDQDK-VIFPVBQESA-N 1 2 290.345 0.156 20 5 CCBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174858602 389532090 /nfs/dbraw/zinc/53/20/90/389532090.db2.gz SQXWOVFHLKDQDK-VIFPVBQESA-N 1 2 290.345 0.156 20 5 CCBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3C[C@H](O)[C@@H](O)C3)nc2c1 ZINC000444701895 389914894 /nfs/dbraw/zinc/91/48/94/389914894.db2.gz XDQGNFMKWNBOST-UWVGGRQHSA-N 1 2 279.252 0.273 20 5 CCBDLO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000262030496 131185271 /nfs/dbraw/zinc/18/52/71/131185271.db2.gz DYTLPDJFIXYRDW-SECBINFHSA-N 1 2 265.269 0.768 20 5 CCBDLO O=C(N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262049971 131186904 /nfs/dbraw/zinc/18/69/04/131186904.db2.gz HGVOQWIWMNUWHR-QMMMGPOBSA-N 1 2 251.242 0.392 20 5 CCBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000368897144 144248872 /nfs/dbraw/zinc/24/88/72/144248872.db2.gz XPFRLEYAAUHCLK-DGIBIBHMSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000368897144 144248873 /nfs/dbraw/zinc/24/88/73/144248873.db2.gz XPFRLEYAAUHCLK-DGIBIBHMSA-N 1 2 286.357 0.634 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000370046621 144289225 /nfs/dbraw/zinc/28/92/25/144289225.db2.gz SLKUBDTYXNRBCX-JTQLQIEISA-N 1 2 293.327 0.571 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000370046621 144289227 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2 276.256 0.259 20 5 CCBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000587056875 359298673 /nfs/dbraw/zinc/29/86/73/359298673.db2.gz PAMGKUPKRSPKJY-ZETCQYMHSA-N 1 2 276.256 0.259 20 5 CCBDLO CNC(=O)C1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000585816279 359280539 /nfs/dbraw/zinc/28/05/39/359280539.db2.gz OYZCLRUWXKUDDU-UHFFFAOYSA-N 1 2 290.279 0.914 20 5 CCBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C(CO)CO)n2)cc1 ZINC000594002297 360231487 /nfs/dbraw/zinc/23/14/87/360231487.db2.gz MKDCSMYCMTULEE-UHFFFAOYSA-N 1 2 294.267 0.088 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000595404882 360522442 /nfs/dbraw/zinc/52/24/42/360522442.db2.gz VOQGYUPHSWLDNT-WDEREUQCSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000595404882 360522445 /nfs/dbraw/zinc/52/24/45/360522445.db2.gz VOQGYUPHSWLDNT-WDEREUQCSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000595538975 360572351 /nfs/dbraw/zinc/57/23/51/360572351.db2.gz CYEGVERUGWEXEA-GXFFZTMASA-N 1 2 284.287 0.909 20 5 CCBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000595538975 360572358 /nfs/dbraw/zinc/57/23/58/360572358.db2.gz CYEGVERUGWEXEA-GXFFZTMASA-N 1 2 284.287 0.909 20 5 CCBDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595557124 360578837 /nfs/dbraw/zinc/57/88/37/360578837.db2.gz HHHPDQNQAQWVMS-VXNVDRBHSA-N 1 2 257.246 0.395 20 5 CCBDLO C[C@@H]1C[N@H+](CCSc2ncc([N+](=O)[O-])c(N)n2)CCO1 ZINC000563442173 291230205 /nfs/dbraw/zinc/23/02/05/291230205.db2.gz YGEJIZUXUWAYDO-MRVPVSSYSA-N 1 2 299.356 0.610 20 5 CCBDLO C[C@@H]1C[N@@H+](CCSc2ncc([N+](=O)[O-])c(N)n2)CCO1 ZINC000563442173 291230207 /nfs/dbraw/zinc/23/02/07/291230207.db2.gz YGEJIZUXUWAYDO-MRVPVSSYSA-N 1 2 299.356 0.610 20 5 CCBDLO COC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000178864065 189151373 /nfs/dbraw/zinc/15/13/73/189151373.db2.gz QXGNQGJGOMTSDJ-KBPBESRZSA-N 1 2 296.323 0.975 20 5 CCBDLO COC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000178864065 189151374 /nfs/dbraw/zinc/15/13/74/189151374.db2.gz QXGNQGJGOMTSDJ-KBPBESRZSA-N 1 2 296.323 0.975 20 5 CCBDLO CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863433 189151477 /nfs/dbraw/zinc/15/14/77/189151477.db2.gz FOCBXKLORPJEEP-OLZOCXBDSA-N 1 2 293.323 0.839 20 5 CCBDLO CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863433 189151478 /nfs/dbraw/zinc/15/14/78/189151478.db2.gz FOCBXKLORPJEEP-OLZOCXBDSA-N 1 2 293.323 0.839 20 5 CCBDLO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC ZINC000179199836 189177069 /nfs/dbraw/zinc/17/70/69/189177069.db2.gz IDAWHADHGGVSGA-UHFFFAOYSA-N 1 2 297.311 0.642 20 5 CCBDLO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC ZINC000179199836 189177070 /nfs/dbraw/zinc/17/70/70/189177070.db2.gz IDAWHADHGGVSGA-UHFFFAOYSA-N 1 2 297.311 0.642 20 5 CCBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000598947985 361537441 /nfs/dbraw/zinc/53/74/41/361537441.db2.gz NPIIMRWKKXYPMY-MRVPVSSYSA-N 1 2 275.268 0.864 20 5 CCBDLO C[NH+]1CCN(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000614274090 364557987 /nfs/dbraw/zinc/55/79/87/364557987.db2.gz WELOZFXVYZTQFD-UHFFFAOYSA-N 1 2 294.311 0.486 20 5 CCBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000427987453 284242761 /nfs/dbraw/zinc/24/27/61/284242761.db2.gz BGRFKYDYIPGEKV-QMMMGPOBSA-N 1 2 275.268 0.864 20 5 CCBDLO Cc1n[nH]c(C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264241910 389314738 /nfs/dbraw/zinc/31/47/38/389314738.db2.gz FEJKFAGNTSXZMZ-UHFFFAOYSA-N 1 2 253.262 0.014 20 5 CCBDLO Cc1[nH]nc(C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264241910 389314740 /nfs/dbraw/zinc/31/47/40/389314740.db2.gz FEJKFAGNTSXZMZ-UHFFFAOYSA-N 1 2 253.262 0.014 20 5 CCBDLO CC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000442796464 389863088 /nfs/dbraw/zinc/86/30/88/389863088.db2.gz SWRGUSWBAXAIJO-ZCFIWIBFSA-N 1 2 264.245 0.922 20 5 CCBDLO CNC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000420982181 390042433 /nfs/dbraw/zinc/04/24/33/390042433.db2.gz XMLLKUSRZIFURB-VIFPVBQESA-N 1 2 279.296 0.868 20 5 CCBDLO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000420982181 390042436 /nfs/dbraw/zinc/04/24/36/390042436.db2.gz XMLLKUSRZIFURB-VIFPVBQESA-N 1 2 279.296 0.868 20 5 CCBDLO Cc1nc(NC[C@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000269456308 132173375 /nfs/dbraw/zinc/17/33/75/132173375.db2.gz FXUBSXSPJMOADU-NSHDSACASA-N 1 2 277.328 0.710 20 5 CCBDLO CNc1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000357328233 144082134 /nfs/dbraw/zinc/08/21/34/144082134.db2.gz WZMGZESYDMSTIK-UHFFFAOYSA-N 1 2 288.267 0.691 20 5 CCBDLO CN(Cc1[nH]cc[nH+]1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357479520 144095052 /nfs/dbraw/zinc/09/50/52/144095052.db2.gz DYLHKUMNHJFGJY-UHFFFAOYSA-N 1 2 276.256 0.448 20 5 CCBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000368897143 144248818 /nfs/dbraw/zinc/24/88/18/144248818.db2.gz XPFRLEYAAUHCLK-APBUJDDRSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000368897143 144248819 /nfs/dbraw/zinc/24/88/19/144248819.db2.gz XPFRLEYAAUHCLK-APBUJDDRSA-N 1 2 286.357 0.634 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547982556 285994517 /nfs/dbraw/zinc/99/45/17/285994517.db2.gz BQXRDRAINSEPDK-SECBINFHSA-N 1 2 289.295 0.875 20 5 CCBDLO C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000285690920 196367562 /nfs/dbraw/zinc/36/75/62/196367562.db2.gz KLQUBPTVWQJHPK-UHFFFAOYSA-N 1 2 253.258 0.640 20 5 CCBDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348289678 288070858 /nfs/dbraw/zinc/07/08/58/288070858.db2.gz LAVLHHUFZWOQST-SNVBAGLBSA-N 1 2 299.352 0.919 20 5 CCBDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348289678 288070859 /nfs/dbraw/zinc/07/08/59/288070859.db2.gz LAVLHHUFZWOQST-SNVBAGLBSA-N 1 2 299.352 0.919 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000364916471 527490389 /nfs/dbraw/zinc/49/03/89/527490389.db2.gz NVMFQETYSSXPJB-NGZCFLSTSA-N 1 2 293.327 0.414 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000364916471 527490395 /nfs/dbraw/zinc/49/03/95/527490395.db2.gz NVMFQETYSSXPJB-NGZCFLSTSA-N 1 2 293.327 0.414 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000788381848 581109380 /nfs/dbraw/zinc/10/93/80/581109380.db2.gz IKPGPRMFXJHOBQ-GFCCVEGCSA-N 1 2 279.300 0.269 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000788381848 581109382 /nfs/dbraw/zinc/10/93/82/581109382.db2.gz IKPGPRMFXJHOBQ-GFCCVEGCSA-N 1 2 279.300 0.269 20 5 CCBDLO Cc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000748347663 581274647 /nfs/dbraw/zinc/27/46/47/581274647.db2.gz FPDIYSIQYGWIRM-SSDOTTSWSA-N 1 2 267.289 0.402 20 5 CCBDLO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000748347663 581274648 /nfs/dbraw/zinc/27/46/48/581274648.db2.gz FPDIYSIQYGWIRM-SSDOTTSWSA-N 1 2 267.289 0.402 20 5 CCBDLO Cc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000748347663 581274649 /nfs/dbraw/zinc/27/46/49/581274649.db2.gz FPDIYSIQYGWIRM-SSDOTTSWSA-N 1 2 267.289 0.402 20 5 CCBDLO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000748347663 581274650 /nfs/dbraw/zinc/27/46/50/581274650.db2.gz FPDIYSIQYGWIRM-SSDOTTSWSA-N 1 2 267.289 0.402 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000784920145 581399221 /nfs/dbraw/zinc/39/92/21/581399221.db2.gz ZGBZVZRFONVQHN-JTQLQIEISA-N 1 2 297.311 0.811 20 5 CCBDLO NS(=O)(=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757149502 581696264 /nfs/dbraw/zinc/69/62/64/581696264.db2.gz SDSJZMDVQFNSCO-UHFFFAOYSA-N 1 2 285.325 0.241 20 5 CCBDLO NS(=O)(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757149502 581696265 /nfs/dbraw/zinc/69/62/65/581696265.db2.gz SDSJZMDVQFNSCO-UHFFFAOYSA-N 1 2 285.325 0.241 20 5 CCBDLO C[N@H+](CCS(N)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000740875029 581721675 /nfs/dbraw/zinc/72/16/75/581721675.db2.gz YYOGEYDIGRIVKN-UHFFFAOYSA-N 1 2 273.314 0.315 20 5 CCBDLO C[N@@H+](CCS(N)(=O)=O)Cc1ccccc1[N+](=O)[O-] ZINC000740875029 581721678 /nfs/dbraw/zinc/72/16/78/581721678.db2.gz YYOGEYDIGRIVKN-UHFFFAOYSA-N 1 2 273.314 0.315 20 5 CCBDLO COCC1(O)CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000758374634 581742035 /nfs/dbraw/zinc/74/20/35/581742035.db2.gz KMGVOPQLYJLXCI-UHFFFAOYSA-N 1 2 298.343 0.839 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(C)c1[N+](=O)[O-] ZINC000776776544 582090659 /nfs/dbraw/zinc/09/06/59/582090659.db2.gz RSTRAQJFCBAUKX-LLVKDONJSA-N 1 2 291.315 0.904 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@@H](n3cncn3)C2)c(C)c1[N+](=O)[O-] ZINC000776776544 582090660 /nfs/dbraw/zinc/09/06/60/582090660.db2.gz RSTRAQJFCBAUKX-LLVKDONJSA-N 1 2 291.315 0.904 20 5 CCBDLO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853601310 613933874 /nfs/dbraw/zinc/93/38/74/613933874.db2.gz IJWOYOKEHSTJNN-LLVKDONJSA-N 1 2 295.343 0.985 20 5 CCBDLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853601310 613933877 /nfs/dbraw/zinc/93/38/77/613933877.db2.gz IJWOYOKEHSTJNN-LLVKDONJSA-N 1 2 295.343 0.985 20 5 CCBDLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839699131 615159499 /nfs/dbraw/zinc/15/94/99/615159499.db2.gz JBERXRSDYMSBSU-YNEHKIRRSA-N 1 2 298.387 0.041 20 5 CCBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000894882220 616247755 /nfs/dbraw/zinc/24/77/55/616247755.db2.gz TYILWMWCHSHINZ-SECBINFHSA-N 1 2 270.264 0.242 20 5 CCBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000894882220 616247756 /nfs/dbraw/zinc/24/77/56/616247756.db2.gz TYILWMWCHSHINZ-SECBINFHSA-N 1 2 270.264 0.242 20 5 CCBDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000921413775 616432536 /nfs/dbraw/zinc/43/25/36/616432536.db2.gz TZIKUBFQUOEIAE-JTQLQIEISA-N 1 2 285.325 0.577 20 5 CCBDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000921413775 616432537 /nfs/dbraw/zinc/43/25/37/616432537.db2.gz TZIKUBFQUOEIAE-JTQLQIEISA-N 1 2 285.325 0.577 20 5 CCBDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000880559531 616560633 /nfs/dbraw/zinc/56/06/33/616560633.db2.gz FJLDGROAOVBKSV-CYBMUJFWSA-N 1 2 298.270 0.844 20 5 CCBDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000880559531 616560635 /nfs/dbraw/zinc/56/06/35/616560635.db2.gz FJLDGROAOVBKSV-CYBMUJFWSA-N 1 2 298.270 0.844 20 5 CCBDLO COC(=O)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877476142 616583992 /nfs/dbraw/zinc/58/39/92/616583992.db2.gz WHRNDRBYQYCPDD-UEJVZZJDSA-N 1 2 268.273 0.646 20 5 CCBDLO COC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000815137356 616778904 /nfs/dbraw/zinc/77/89/04/616778904.db2.gz RKPSKDQZVLIODA-RYUDHWBXSA-N 1 2 297.311 0.060 20 5 CCBDLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000815137356 616778905 /nfs/dbraw/zinc/77/89/05/616778905.db2.gz RKPSKDQZVLIODA-RYUDHWBXSA-N 1 2 297.311 0.060 20 5 CCBDLO CON1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846979846 617091759 /nfs/dbraw/zinc/09/17/59/617091759.db2.gz SZSPPXWOXCYBAM-CYBMUJFWSA-N 1 2 281.312 0.807 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](O)[C@@H](F)C2)n1 ZINC000934575463 622760519 /nfs/dbraw/zinc/76/05/19/622760519.db2.gz NYUZVMXLRXUEEK-DTWKUNHWSA-N 1 2 258.253 0.196 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](O)[C@@H](F)C2)n1 ZINC000934575463 622760522 /nfs/dbraw/zinc/76/05/22/622760522.db2.gz NYUZVMXLRXUEEK-DTWKUNHWSA-N 1 2 258.253 0.196 20 5 CCBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@H]3CO)n2)c1 ZINC000902629665 634420967 /nfs/dbraw/zinc/42/09/67/634420967.db2.gz HBPYJFOIEUIWKL-LBPRGKRZSA-N 1 2 289.295 0.877 20 5 CCBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]3CO)n2)c1 ZINC000902629665 634420977 /nfs/dbraw/zinc/42/09/77/634420977.db2.gz HBPYJFOIEUIWKL-LBPRGKRZSA-N 1 2 289.295 0.877 20 5 CCBDLO O=C1[C@@H]([N@H+]2CC[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000934017993 625003932 /nfs/dbraw/zinc/00/39/32/625003932.db2.gz RZXUAONUXVCGHZ-STQMWFEESA-N 1 2 291.307 0.767 20 5 CCBDLO O=C1[C@@H]([N@@H+]2CC[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000934017993 625003939 /nfs/dbraw/zinc/00/39/39/625003939.db2.gz RZXUAONUXVCGHZ-STQMWFEESA-N 1 2 291.307 0.767 20 5 CCBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000172490819 637176192 /nfs/dbraw/zinc/17/61/92/637176192.db2.gz MBZHITIKSBVWMH-JTQLQIEISA-N 1 2 282.300 0.834 20 5 CCBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000172490819 637176196 /nfs/dbraw/zinc/17/61/96/637176196.db2.gz MBZHITIKSBVWMH-JTQLQIEISA-N 1 2 282.300 0.834 20 5 CCBDLO O=C(NC12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cc1O ZINC000913633021 637396096 /nfs/dbraw/zinc/39/60/96/637396096.db2.gz ILLJPCWRJSGLDR-UHFFFAOYSA-N 1 2 277.280 0.878 20 5 CCBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(C2OCCO2)CC1 ZINC000152284416 637494355 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Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001321505050 911334014 /nfs/dbraw/zinc/33/40/14/911334014.db2.gz QFOCXDKNZPKAKR-MRVPVSSYSA-N 1 2 290.283 0.270 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001331225712 917197876 /nfs/dbraw/zinc/19/78/76/917197876.db2.gz UXNXYHRTCDDFGV-SECBINFHSA-N 1 2 290.283 0.119 20 5 CCBDLO C[NH+](C)CCONC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC001334409576 919561365 /nfs/dbraw/zinc/56/13/65/919561365.db2.gz SPYVOLFBPQRDJM-UHFFFAOYSA-N 1 2 269.257 0.523 20 5 CCBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000599559030 361738054 /nfs/dbraw/zinc/73/80/54/361738054.db2.gz QLMVDXXYWQYIKI-LBPRGKRZSA-N 1 2 299.283 0.655 20 5 CCBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000599559030 361738067 /nfs/dbraw/zinc/73/80/67/361738067.db2.gz QLMVDXXYWQYIKI-LBPRGKRZSA-N 1 2 299.283 0.655 20 5 CCBDLO Cc1c(C(=O)NC[C@@H]2COCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000600425164 361958585 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ZINC000081015592 349240044 /nfs/dbraw/zinc/24/00/44/349240044.db2.gz KIRJYVJIPRJANX-LBPRGKRZSA-N 1 2 296.327 0.119 20 5 CCBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@H+](C)CCO1 ZINC000091673889 180225601 /nfs/dbraw/zinc/22/56/01/180225601.db2.gz NEJORXTXLHAKHA-SNVBAGLBSA-N 1 2 283.332 0.862 20 5 CCBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091673889 180225602 /nfs/dbraw/zinc/22/56/02/180225602.db2.gz NEJORXTXLHAKHA-SNVBAGLBSA-N 1 2 283.332 0.862 20 5 CCBDLO O=[N+]([O-])c1cnc(NC[C@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000413198680 233373736 /nfs/dbraw/zinc/37/37/36/233373736.db2.gz IJUSEHAISOQTHE-JTQLQIEISA-N 1 2 281.291 0.541 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000146206641 350465672 /nfs/dbraw/zinc/46/56/72/350465672.db2.gz XWSJGPGDFXJSHQ-UHFFFAOYSA-N 1 2 252.274 0.321 20 5 CCBDLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153143212 350552897 /nfs/dbraw/zinc/55/28/97/350552897.db2.gz KIMWNEVLGGAPNW-MRVPVSSYSA-N 1 2 292.295 0.536 20 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC000304097037 354105442 /nfs/dbraw/zinc/10/54/42/354105442.db2.gz FRGVBIUHHXYUQL-NSHDSACASA-N 1 2 279.296 0.908 20 5 CCBDLO COC(=O)[C@](C)(O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332729129 354729735 /nfs/dbraw/zinc/72/97/35/354729735.db2.gz QTEPHEQKXPMNKV-CYBMUJFWSA-N 1 2 295.295 0.272 20 5 CCBDLO COC(=O)[C@](C)(O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332729129 354729738 /nfs/dbraw/zinc/72/97/38/354729738.db2.gz QTEPHEQKXPMNKV-CYBMUJFWSA-N 1 2 295.295 0.272 20 5 CCBDLO Cn1cc([C@H](CO)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000339085524 355484812 /nfs/dbraw/zinc/48/48/12/355484812.db2.gz ODUCUFSYFFCJEX-LBPRGKRZSA-N 1 2 292.295 0.857 20 5 CCBDLO Cn1nnnc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000341561315 355693197 /nfs/dbraw/zinc/69/31/97/355693197.db2.gz HEOBKKXZKIJCIQ-UHFFFAOYSA-N 1 2 276.300 0.793 20 5 CCBDLO Cn1nnnc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000341561315 355693201 /nfs/dbraw/zinc/69/32/01/355693201.db2.gz HEOBKKXZKIJCIQ-UHFFFAOYSA-N 1 2 276.300 0.793 20 5 CCBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143750 358497727 /nfs/dbraw/zinc/49/77/27/358497727.db2.gz CBEILQHTKLIAQO-UHFFFAOYSA-N 1 2 294.311 0.394 20 5 CCBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360736217 138008567 /nfs/dbraw/zinc/00/85/67/138008567.db2.gz IYCPFDPVXUKQBQ-UHFFFAOYSA-N 1 2 264.245 0.290 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H](C)[NH+]1CCOCC1 ZINC000273589029 192217151 /nfs/dbraw/zinc/21/71/51/192217151.db2.gz GYHMXHFLJXTTQU-NXEZZACHSA-N 1 2 281.316 0.906 20 5 CCBDLO C[C@@H]1c2nncn2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000362088230 138045924 /nfs/dbraw/zinc/04/59/24/138045924.db2.gz PMSXEXGVBPXBBX-SECBINFHSA-N 1 2 277.288 0.460 20 5 CCBDLO C[C@@H]1c2nncn2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000362088230 138045925 /nfs/dbraw/zinc/04/59/25/138045925.db2.gz PMSXEXGVBPXBBX-SECBINFHSA-N 1 2 277.288 0.460 20 5 CCBDLO Nc1nc(N2CCC[C@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000609132790 363473133 /nfs/dbraw/zinc/47/31/33/363473133.db2.gz JRILVNSWQMNHTN-VIFPVBQESA-N 1 2 289.299 0.835 20 5 CCBDLO Cc1nn(C)c(NCC[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000609150129 363475743 /nfs/dbraw/zinc/47/57/43/363475743.db2.gz PDDSIWRUERLPSX-VIFPVBQESA-N 1 2 283.332 0.769 20 5 CCBDLO Cc1nn(C)c(NCC[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000609150129 363475746 /nfs/dbraw/zinc/47/57/46/363475746.db2.gz PDDSIWRUERLPSX-VIFPVBQESA-N 1 2 283.332 0.769 20 5 CCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccnc1[N+](=O)[O-] ZINC000610576216 363581146 /nfs/dbraw/zinc/58/11/46/363581146.db2.gz NBMVELJGTSOVEM-LLVKDONJSA-N 1 2 296.327 0.119 20 5 CCBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000376426320 357466881 /nfs/dbraw/zinc/46/68/81/357466881.db2.gz GZKLPQIYYFYNRC-GMTAPVOTSA-N 1 2 278.312 0.791 20 5 CCBDLO CC[NH+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000408050724 357889525 /nfs/dbraw/zinc/88/95/25/357889525.db2.gz KZGFXMNSPOASCB-UHFFFAOYSA-N 1 2 267.289 0.106 20 5 CCBDLO CNC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000048811637 283320211 /nfs/dbraw/zinc/32/02/11/283320211.db2.gz YSXGZDRCZRDMFN-UHFFFAOYSA-N 1 2 278.312 0.463 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611185548 363674720 /nfs/dbraw/zinc/67/47/20/363674720.db2.gz IXXYZXCFGBPTHV-UHFFFAOYSA-N 1 2 289.295 0.538 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c[nH]nc2C1 ZINC000611185548 363674725 /nfs/dbraw/zinc/67/47/25/363674725.db2.gz IXXYZXCFGBPTHV-UHFFFAOYSA-N 1 2 289.295 0.538 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000593037342 360019305 /nfs/dbraw/zinc/01/93/05/360019305.db2.gz XARVBEFXHRFKHP-GXFFZTMASA-N 1 2 282.296 0.476 20 5 CCBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000593037342 360019308 /nfs/dbraw/zinc/01/93/08/360019308.db2.gz XARVBEFXHRFKHP-GXFFZTMASA-N 1 2 282.296 0.476 20 5 CCBDLO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@H]2O1 ZINC000593116788 360043682 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20 5 CCBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)CO1 ZINC000596453713 360899075 /nfs/dbraw/zinc/89/90/75/360899075.db2.gz MGFDZRAPEXMFIB-UWVGGRQHSA-N 1 2 296.327 0.762 20 5 CCBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)CO1 ZINC000597994591 361303403 /nfs/dbraw/zinc/30/34/03/361303403.db2.gz CAHBWVXDDKZDCG-VHSXEESVSA-N 1 2 296.327 0.762 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)CO1 ZINC000597994591 361303409 /nfs/dbraw/zinc/30/34/09/361303409.db2.gz CAHBWVXDDKZDCG-VHSXEESVSA-N 1 2 296.327 0.762 20 5 CCBDLO CN(CCCn1cc[nH+]c1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000301683076 201135946 /nfs/dbraw/zinc/13/59/46/201135946.db2.gz GTFURVCQJFVFFJ-UHFFFAOYSA-N 1 2 277.288 0.690 20 5 CCBDLO COC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000276285634 193272098 /nfs/dbraw/zinc/27/20/98/193272098.db2.gz GEFILKGIQWIIQS-GFCCVEGCSA-N 1 2 295.295 0.298 20 5 CCBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000569711216 291702827 /nfs/dbraw/zinc/70/28/27/291702827.db2.gz SZJVOQRYIFEYMU-SECBINFHSA-N 1 2 290.283 0.819 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000191788022 389018508 /nfs/dbraw/zinc/01/85/08/389018508.db2.gz AAAKOTIKPMIKHR-UHFFFAOYSA-N 1 2 293.327 0.731 20 5 CCBDLO COC(=O)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000123945381 389159065 /nfs/dbraw/zinc/15/90/65/389159065.db2.gz MHRFMFVQMYAHFF-NXEZZACHSA-N 1 2 298.299 0.054 20 5 CCBDLO COC(=O)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000123945381 389159067 /nfs/dbraw/zinc/15/90/67/389159067.db2.gz MHRFMFVQMYAHFF-NXEZZACHSA-N 1 2 298.299 0.054 20 5 CCBDLO C[NH+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000234323504 389163638 /nfs/dbraw/zinc/16/36/38/389163638.db2.gz OSPZEYHHTXONNF-UHFFFAOYSA-N 1 2 265.269 0.688 20 5 CCBDLO C[C@H](O)C[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330456040 389231894 /nfs/dbraw/zinc/23/18/94/389231894.db2.gz PBDBFHXWNWKORT-NSHDSACASA-N 1 2 295.339 0.799 20 5 CCBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H](C)[NH+]1CCOCC1 ZINC000264196437 389311637 /nfs/dbraw/zinc/31/16/37/389311637.db2.gz CYVWHHZFBCCFQU-NXEZZACHSA-N 1 2 296.327 0.762 20 5 CCBDLO CCc1n[nH]c(C(=O)NCCc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000350658940 389530351 /nfs/dbraw/zinc/53/03/51/389530351.db2.gz ZUZYYZHTAGSJHZ-UHFFFAOYSA-N 1 2 278.272 0.576 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000430240508 389788271 /nfs/dbraw/zinc/78/82/71/389788271.db2.gz PFDBLYYGCMECEB-QWRGUYRKSA-N 1 2 268.269 0.141 20 5 CCBDLO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000262047691 131186436 /nfs/dbraw/zinc/18/64/36/131186436.db2.gz GYQCDVWGVMUPOH-SECBINFHSA-N 1 2 279.296 0.982 20 5 CCBDLO Cc1nn(C)c(NC[C@@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000269441311 132171225 /nfs/dbraw/zinc/17/12/25/132171225.db2.gz BDFNSVRXSWDUJB-SNVBAGLBSA-N 1 2 280.332 0.048 20 5 CCBDLO Cc1nc(N)c(CNC(=O)c2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000552184068 286157827 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COC(=O)[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])[C@@H]1C ZINC000787236402 581633421 /nfs/dbraw/zinc/63/34/21/581633421.db2.gz CGIUMBPXZOPJTL-RKDXNWHRSA-N 1 2 268.273 0.632 20 5 CCBDLO CC(C)(CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N+](=O)[O-] ZINC000857884388 614081717 /nfs/dbraw/zinc/08/17/17/614081717.db2.gz ANSQSAYPSQPJRO-SECBINFHSA-N 1 2 266.301 0.760 20 5 CCBDLO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839698617 615956294 /nfs/dbraw/zinc/95/62/94/615956294.db2.gz RISIMFFISBIQFG-NXEZZACHSA-N 1 2 264.285 0.747 20 5 CCBDLO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839698617 615956297 /nfs/dbraw/zinc/95/62/97/615956297.db2.gz RISIMFFISBIQFG-NXEZZACHSA-N 1 2 264.285 0.747 20 5 CCBDLO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000886278738 616082332 /nfs/dbraw/zinc/08/23/32/616082332.db2.gz HXOKMUQXDOHUJZ-LLVKDONJSA-N 1 2 267.285 0.837 20 5 CCBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000886278738 616082334 /nfs/dbraw/zinc/08/23/34/616082334.db2.gz HXOKMUQXDOHUJZ-LLVKDONJSA-N 1 2 267.285 0.837 20 5 CCBDLO CN1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931402526 616244295 /nfs/dbraw/zinc/24/42/95/616244295.db2.gz DFPKWNOFSGYMLA-KBPBESRZSA-N 1 2 295.339 0.237 20 5 CCBDLO CN1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931402526 616244296 /nfs/dbraw/zinc/24/42/96/616244296.db2.gz DFPKWNOFSGYMLA-KBPBESRZSA-N 1 2 295.339 0.237 20 5 CCBDLO COCCOC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000116868868 616523854 /nfs/dbraw/zinc/52/38/54/616523854.db2.gz GUPKIAIIFRKUFU-UHFFFAOYSA-N 1 2 284.316 0.876 20 5 CCBDLO NC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049843827 624705415 /nfs/dbraw/zinc/70/54/15/624705415.db2.gz CVCUUTNNVQUSCW-UHFFFAOYSA-N 1 2 290.235 0.423 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000894521989 631785306 /nfs/dbraw/zinc/78/53/06/631785306.db2.gz XNIDGDMNWRNAAE-ZJUUUORDSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1c([N+](=O)[O-])cnn1C 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DXDAXTMKDSOLRU-GFCCVEGCSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913550920 636845261 /nfs/dbraw/zinc/84/52/61/636845261.db2.gz DXDAXTMKDSOLRU-GFCCVEGCSA-N 1 2 293.323 0.652 20 5 CCBDLO O=C1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCN1 ZINC000044780973 636864597 /nfs/dbraw/zinc/86/45/97/636864597.db2.gz DUCMYJXVTAVQHN-UHFFFAOYSA-N 1 2 289.295 0.724 20 5 CCBDLO O=C1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CCN1 ZINC000044780973 636864599 /nfs/dbraw/zinc/86/45/99/636864599.db2.gz DUCMYJXVTAVQHN-UHFFFAOYSA-N 1 2 289.295 0.724 20 5 CCBDLO C[C@H]1C[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000822951908 641718655 /nfs/dbraw/zinc/71/86/55/641718655.db2.gz JJAIBCRAIYEAEW-NSHDSACASA-N 1 2 287.360 0.659 20 5 CCBDLO C[C@H]1C[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000822951908 641718660 /nfs/dbraw/zinc/71/86/60/641718660.db2.gz JJAIBCRAIYEAEW-NSHDSACASA-N 1 2 287.360 0.659 20 5 CCBDLO Cc1noc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[N+](=O)[O-] ZINC000852008835 643914281 /nfs/dbraw/zinc/91/42/81/643914281.db2.gz MIKUQBCEINNNII-BDAKNGLRSA-N 1 2 296.283 0.822 20 5 CCBDLO Cc1noc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[N+](=O)[O-] ZINC000852008835 643914285 /nfs/dbraw/zinc/91/42/85/643914285.db2.gz MIKUQBCEINNNII-BDAKNGLRSA-N 1 2 296.283 0.822 20 5 CCBDLO O=[N+]([O-])CCN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000929747223 648786532 /nfs/dbraw/zinc/78/65/32/648786532.db2.gz KCNIEYNILXIYOU-GFCCVEGCSA-N 1 2 257.334 0.450 20 5 CCBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC001161557277 802181190 /nfs/dbraw/zinc/18/11/90/802181190.db2.gz SUCYMPULHVQHKY-QMMMGPOBSA-N 1 2 285.279 0.482 20 5 CCBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC001161557277 802181192 /nfs/dbraw/zinc/18/11/92/802181192.db2.gz SUCYMPULHVQHKY-QMMMGPOBSA-N 1 2 285.279 0.482 20 5 CCBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3nc[nH]c(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228139815 805416482 /nfs/dbraw/zinc/41/64/82/805416482.db2.gz BCTGTZOPCNVVPJ-ZQARSLAVSA-N 1 2 294.267 0.273 20 5 CCBDLO C[N@H+]1[C@@H]2C[C@H](Oc3nc[nH]c(=O)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228139815 805416487 /nfs/dbraw/zinc/41/64/87/805416487.db2.gz BCTGTZOPCNVVPJ-ZQARSLAVSA-N 1 2 294.267 0.273 20 5 CCBDLO C[N@@H+]1CCO[C@H](COc2cnccc2[N+](=O)[O-])C1 ZINC001228881816 805485283 /nfs/dbraw/zinc/48/52/83/805485283.db2.gz IGOABWMWCBYPEF-VIFPVBQESA-N 1 2 253.258 0.699 20 5 CCBDLO C[N@H+]1CCO[C@H](COc2cnccc2[N+](=O)[O-])C1 ZINC001228881816 805485284 /nfs/dbraw/zinc/48/52/84/805485284.db2.gz IGOABWMWCBYPEF-VIFPVBQESA-N 1 2 253.258 0.699 20 5 CCBDLO C[NH+](C)Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC001254167097 808193186 /nfs/dbraw/zinc/19/31/86/808193186.db2.gz DUTPVONAFILJEY-UHFFFAOYSA-N 1 2 263.257 0.943 20 5 CCBDLO Cc1nc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC001262373217 809294586 /nfs/dbraw/zinc/29/45/86/809294586.db2.gz PQDYGFLYQHSUKH-PWSUYJOCSA-N 1 2 294.359 0.739 20 5 CCBDLO Cc1nc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC001262373217 809294590 /nfs/dbraw/zinc/29/45/90/809294590.db2.gz PQDYGFLYQHSUKH-PWSUYJOCSA-N 1 2 294.359 0.739 20 5 CCBDLO O=C(NCC[NH2+]Cc1nccs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932200 815308731 /nfs/dbraw/zinc/30/87/31/815308731.db2.gz LUURAOHZUNOXDJ-HTQZYQBOSA-N 1 2 270.314 0.014 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169654785 836408940 /nfs/dbraw/zinc/40/89/40/836408940.db2.gz WFYXWSGQMGBBMV-LLVKDONJSA-N 1 2 291.311 0.985 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169654785 836408948 /nfs/dbraw/zinc/40/89/48/836408948.db2.gz WFYXWSGQMGBBMV-LLVKDONJSA-N 1 2 291.311 0.985 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169654786 836409988 /nfs/dbraw/zinc/40/99/88/836409988.db2.gz WFYXWSGQMGBBMV-NSHDSACASA-N 1 2 291.311 0.985 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169654786 836409993 /nfs/dbraw/zinc/40/99/93/836409993.db2.gz WFYXWSGQMGBBMV-NSHDSACASA-N 1 2 291.311 0.985 20 5 CCBDLO C[N@@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000687594765 849123105 /nfs/dbraw/zinc/12/31/05/849123105.db2.gz DDBAQYRSYCIKOP-SECBINFHSA-N 1 2 269.276 0.847 20 5 CCBDLO C[N@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000687594765 849123111 /nfs/dbraw/zinc/12/31/11/849123111.db2.gz DDBAQYRSYCIKOP-SECBINFHSA-N 1 2 269.276 0.847 20 5 CCBDLO Cc1n[nH]c(C(=O)NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC001116556187 898111488 /nfs/dbraw/zinc/11/14/88/898111488.db2.gz ZKBCDWOQIRCYDS-UHFFFAOYSA-N 1 2 278.272 0.332 20 5 CCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cn(C)nc2[N+](=O)[O-])C1 ZINC001331535471 917400966 /nfs/dbraw/zinc/40/09/66/917400966.db2.gz GENMSTBDRRYWCW-JTQLQIEISA-N 1 2 298.299 0.092 20 5 CCBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cn(C)nc2[N+](=O)[O-])C1 ZINC001331535471 917400970 /nfs/dbraw/zinc/40/09/70/917400970.db2.gz GENMSTBDRRYWCW-JTQLQIEISA-N 1 2 298.299 0.092 20 5 CCBDLO Cc1noc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000599651929 361774160 /nfs/dbraw/zinc/77/41/60/361774160.db2.gz INDRSYJJXBGNRD-OCAPTIKFSA-N 1 2 268.273 0.587 20 5 CCBDLO Cc1noc(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000599651929 361774162 /nfs/dbraw/zinc/77/41/62/361774162.db2.gz INDRSYJJXBGNRD-OCAPTIKFSA-N 1 2 268.273 0.587 20 5 CCBDLO COC[C@]1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599691275 361789989 /nfs/dbraw/zinc/78/99/89/361789989.db2.gz CYLNQBDYVLLYPO-LBPRGKRZSA-N 1 2 284.316 0.529 20 5 CCBDLO COC[C@]1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000599691275 361789993 /nfs/dbraw/zinc/78/99/93/361789993.db2.gz CYLNQBDYVLLYPO-LBPRGKRZSA-N 1 2 284.316 0.529 20 5 CCBDLO O=C1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1 ZINC000093101459 349525881 /nfs/dbraw/zinc/52/58/81/349525881.db2.gz HULOJHFPDQEIGY-UHFFFAOYSA-N 1 2 265.269 0.622 20 5 CCBDLO O=C1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1 ZINC000093101459 349525883 /nfs/dbraw/zinc/52/58/83/349525883.db2.gz HULOJHFPDQEIGY-UHFFFAOYSA-N 1 2 265.269 0.622 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600425158 361957945 /nfs/dbraw/zinc/95/79/45/361957945.db2.gz LVRMSQSIJLZAMS-LBPRGKRZSA-N 1 2 279.296 0.655 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600425158 361957953 /nfs/dbraw/zinc/95/79/53/361957953.db2.gz LVRMSQSIJLZAMS-LBPRGKRZSA-N 1 2 279.296 0.655 20 5 CCBDLO O=C(NCCO)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000098076951 349651913 /nfs/dbraw/zinc/65/19/13/349651913.db2.gz CHKJISWTMKMCGV-UHFFFAOYSA-N 1 2 276.252 0.503 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCO ZINC000126621539 187252483 /nfs/dbraw/zinc/25/24/83/187252483.db2.gz FPOPYTWNHJVXLF-UHFFFAOYSA-N 1 2 283.284 0.466 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCO ZINC000126621539 187252484 /nfs/dbraw/zinc/25/24/84/187252484.db2.gz FPOPYTWNHJVXLF-UHFFFAOYSA-N 1 2 283.284 0.466 20 5 CCBDLO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000117982665 349894706 /nfs/dbraw/zinc/89/47/06/349894706.db2.gz SFIXGUFOPUOOKZ-UHFFFAOYSA-N 1 2 267.285 0.982 20 5 CCBDLO O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CC[NH2+]C2 ZINC000601933119 362429783 /nfs/dbraw/zinc/42/97/83/362429783.db2.gz BRAOCVTUPMYBOS-JTQLQIEISA-N 1 2 260.253 0.907 20 5 CCBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602642919 362728231 /nfs/dbraw/zinc/72/82/31/362728231.db2.gz CMIDOJLXCIABPN-MFKMUULPSA-N 1 2 296.327 0.708 20 5 CCBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602642919 362728239 /nfs/dbraw/zinc/72/82/39/362728239.db2.gz CMIDOJLXCIABPN-MFKMUULPSA-N 1 2 296.327 0.708 20 5 CCBDLO COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000339365541 215124031 /nfs/dbraw/zinc/12/40/31/215124031.db2.gz KAMFYMHCQMLOLH-NSHDSACASA-N 1 2 267.285 0.527 20 5 CCBDLO COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000339365541 215124034 /nfs/dbraw/zinc/12/40/34/215124034.db2.gz KAMFYMHCQMLOLH-NSHDSACASA-N 1 2 267.285 0.527 20 5 CCBDLO 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ZINC000523733255 390642428 /nfs/dbraw/zinc/64/24/28/390642428.db2.gz OQPKLCTWKTZFCQ-VIFPVBQESA-N 1 2 283.332 0.769 20 5 CCBDLO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)c[nH+]1 ZINC000534299247 390892283 /nfs/dbraw/zinc/89/22/83/390892283.db2.gz DGQYDECWSWZPOB-UHFFFAOYSA-N 1 2 275.268 0.864 20 5 CCBDLO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000261991548 131181504 /nfs/dbraw/zinc/18/15/04/131181504.db2.gz MENBJRPGHCDGKC-VIFPVBQESA-N 1 2 265.269 0.782 20 5 CCBDLO [NH3+]CC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262316468 131211422 /nfs/dbraw/zinc/21/14/22/131211422.db2.gz DNRXYMUJPTVNDQ-UHFFFAOYSA-N 1 2 275.211 0.624 20 5 CCBDLO O=C(NCCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000552165848 286156837 /nfs/dbraw/zinc/15/68/37/286156837.db2.gz UKRPQBUWUNFJNV-UHFFFAOYSA-N 1 2 278.272 0.725 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000552536915 286169160 /nfs/dbraw/zinc/16/91/60/286169160.db2.gz ZNIXBBJFOPBEMA-MRVPVSSYSA-N 1 2 289.295 0.944 20 5 CCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000552536915 286169164 /nfs/dbraw/zinc/16/91/64/286169164.db2.gz ZNIXBBJFOPBEMA-MRVPVSSYSA-N 1 2 289.295 0.944 20 5 CCBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1[nH]ncc1[N+](=O)[O-] ZINC000179658005 260062526 /nfs/dbraw/zinc/06/25/26/260062526.db2.gz HAOWTCMGNVUNFA-UHFFFAOYSA-N 1 2 286.251 0.896 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1CN1CCn2cc[nH+]c2C1 ZINC000331830666 294458842 /nfs/dbraw/zinc/45/88/42/294458842.db2.gz BXPWTBQBTFRTDG-UHFFFAOYSA-N 1 2 262.273 0.541 20 5 CCBDLO COC[C@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000577727295 335393045 /nfs/dbraw/zinc/39/30/45/335393045.db2.gz CKNJGHOWTVGICA-ZDUSSCGKSA-N 1 2 295.295 0.865 20 5 CCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155932408 522254661 /nfs/dbraw/zinc/25/46/61/522254661.db2.gz QQIATNKDFOUEHC-LBPRGKRZSA-N 1 2 299.352 0.718 20 5 CCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155932408 522254669 /nfs/dbraw/zinc/25/46/69/522254669.db2.gz QQIATNKDFOUEHC-LBPRGKRZSA-N 1 2 299.352 0.718 20 5 CCBDLO C[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000183621915 523881763 /nfs/dbraw/zinc/88/17/63/523881763.db2.gz RTZCSBFLJQSIPH-UHFFFAOYSA-N 1 2 293.279 0.711 20 5 CCBDLO Cc1nn(C[NH+]2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000779856146 581211663 /nfs/dbraw/zinc/21/16/63/581211663.db2.gz ZUPZNYGNQBOGDB-UHFFFAOYSA-N 1 2 267.289 0.255 20 5 CCBDLO COCC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@@H]1CCOC1 ZINC000782962286 581328648 /nfs/dbraw/zinc/32/86/48/581328648.db2.gz NKBJEPRDMZXVSP-LLVKDONJSA-N 1 2 284.316 0.795 20 5 CCBDLO COCC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@@H]1CCOC1 ZINC000782962286 581328649 /nfs/dbraw/zinc/32/86/49/581328649.db2.gz NKBJEPRDMZXVSP-LLVKDONJSA-N 1 2 284.316 0.795 20 5 CCBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@@H]2CCO)c1 ZINC000767597559 581621265 /nfs/dbraw/zinc/62/12/65/581621265.db2.gz GKRXIIDQNWOKTP-UONOGXRCSA-N 1 2 296.323 0.711 20 5 CCBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@@H]2CCO)c1 ZINC000767597559 581621267 /nfs/dbraw/zinc/62/12/67/581621267.db2.gz GKRXIIDQNWOKTP-UONOGXRCSA-N 1 2 296.323 0.711 20 5 CCBDLO CC(=O)N(C)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000748077823 581961319 /nfs/dbraw/zinc/96/13/19/581961319.db2.gz YIKDSZJZBHYJFJ-UHFFFAOYSA-N 1 2 281.316 0.692 20 5 CCBDLO O=C1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000776581571 582080573 /nfs/dbraw/zinc/08/05/73/582080573.db2.gz KIGGFAMACYKKKD-GFCCVEGCSA-N 1 2 279.296 0.450 20 5 CCBDLO O=C1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000776581571 582080575 /nfs/dbraw/zinc/08/05/75/582080575.db2.gz KIGGFAMACYKKKD-GFCCVEGCSA-N 1 2 279.296 0.450 20 5 CCBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2CCO)cc1 ZINC000776600601 582084162 /nfs/dbraw/zinc/08/41/62/582084162.db2.gz BZTZMZDYLOWIRS-KBPBESRZSA-N 1 2 296.323 0.711 20 5 CCBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2CCO)cc1 ZINC000776600601 582084165 /nfs/dbraw/zinc/08/41/65/582084165.db2.gz BZTZMZDYLOWIRS-KBPBESRZSA-N 1 2 296.323 0.711 20 5 CCBDLO Cc1nn(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000776774664 582090366 /nfs/dbraw/zinc/09/03/66/582090366.db2.gz DVKLTBPKNNQTRJ-SNVBAGLBSA-N 1 2 277.288 0.596 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000776774664 582090369 /nfs/dbraw/zinc/09/03/69/582090369.db2.gz DVKLTBPKNNQTRJ-SNVBAGLBSA-N 1 2 277.288 0.596 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608570 617282425 /nfs/dbraw/zinc/28/24/25/617282425.db2.gz LBTFXERXPMXEDR-NEPJUHHUSA-N 1 2 282.296 0.531 20 5 CCBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608570 617282426 /nfs/dbraw/zinc/28/24/26/617282426.db2.gz LBTFXERXPMXEDR-NEPJUHHUSA-N 1 2 282.296 0.531 20 5 CCBDLO CC[NH2+]Cc1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000843145309 615103547 /nfs/dbraw/zinc/10/35/47/615103547.db2.gz IWVSBGKGARTQIG-UHFFFAOYSA-N 1 2 252.234 0.332 20 5 CCBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000872772628 615569643 /nfs/dbraw/zinc/56/96/43/615569643.db2.gz XEAQXQASHKMOTK-SNVBAGLBSA-N 1 2 281.316 0.908 20 5 CCBDLO CC[C@@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000872772628 615569644 /nfs/dbraw/zinc/56/96/44/615569644.db2.gz XEAQXQASHKMOTK-SNVBAGLBSA-N 1 2 281.316 0.908 20 5 CCBDLO CC[C@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000895803574 615720374 /nfs/dbraw/zinc/72/03/74/615720374.db2.gz IKAUIXYQLIGOEM-SNVBAGLBSA-N 1 2 283.332 0.851 20 5 CCBDLO C[N@@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1CO ZINC000894885905 616247807 /nfs/dbraw/zinc/24/78/07/616247807.db2.gz SRYGOTWZHUNUAX-MRVPVSSYSA-N 1 2 257.315 0.769 20 5 CCBDLO C[N@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1CO ZINC000894885905 616247808 /nfs/dbraw/zinc/24/78/08/616247808.db2.gz SRYGOTWZHUNUAX-MRVPVSSYSA-N 1 2 257.315 0.769 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](O)[C@H](F)C2)n1 ZINC000934575467 622760757 /nfs/dbraw/zinc/76/07/57/622760757.db2.gz 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O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186488329 639110441 /nfs/dbraw/zinc/11/04/41/639110441.db2.gz KRFLIMSFUVZUDP-QWRGUYRKSA-N 1 2 270.260 0.661 20 5 CCBDLO C[C@@H](COC(=O)C[N@H+](C)[C@@H]1CCSC1)[N+](=O)[O-] ZINC000813109735 641023865 /nfs/dbraw/zinc/02/38/65/641023865.db2.gz VVVQLNGCPIBAJU-DTWKUNHWSA-N 1 2 262.331 0.632 20 5 CCBDLO C[C@@H](COC(=O)C[N@@H+](C)[C@@H]1CCSC1)[N+](=O)[O-] ZINC000813109735 641023867 /nfs/dbraw/zinc/02/38/67/641023867.db2.gz VVVQLNGCPIBAJU-DTWKUNHWSA-N 1 2 262.331 0.632 20 5 CCBDLO NC(=O)c1ccc(N2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000929673817 648778045 /nfs/dbraw/zinc/77/80/45/648778045.db2.gz ZYOMVTFSNSAHLE-UHFFFAOYSA-N 1 2 278.312 0.184 20 5 CCBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000930495667 648867688 /nfs/dbraw/zinc/86/76/88/648867688.db2.gz DRARTNFLWRZZDN-SNVBAGLBSA-N 1 2 291.373 0.057 20 5 CCBDLO O=[N+]([O-])CC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000930495667 648867694 /nfs/dbraw/zinc/86/76/94/648867694.db2.gz DRARTNFLWRZZDN-SNVBAGLBSA-N 1 2 291.373 0.057 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCNC(=O)C1CC1 ZINC001231064374 805719289 /nfs/dbraw/zinc/71/92/89/805719289.db2.gz GFTDHHJFOGKRNR-UHFFFAOYSA-N 1 2 295.343 0.676 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCNC(=O)C1CC1 ZINC001231064374 805719292 /nfs/dbraw/zinc/71/92/92/805719292.db2.gz GFTDHHJFOGKRNR-UHFFFAOYSA-N 1 2 295.343 0.676 20 5 CCBDLO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1CCc2[nH+]ccn2C1 ZINC001155042630 800896170 /nfs/dbraw/zinc/89/61/70/800896170.db2.gz CUXMNJASZZCOPA-ZETCQYMHSA-N 1 2 276.256 0.716 20 5 CCBDLO COc1nc(NC[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001155192979 800927410 /nfs/dbraw/zinc/92/74/10/800927410.db2.gz AYFHWQNFBIXKBH-QMMMGPOBSA-N 1 2 283.288 0.136 20 5 CCBDLO COc1nc(NC[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC001155192979 800927415 /nfs/dbraw/zinc/92/74/15/800927415.db2.gz AYFHWQNFBIXKBH-QMMMGPOBSA-N 1 2 283.288 0.136 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C)ncc2[N+](=O)[O-])C[NH2+]1 ZINC001156242133 801137296 /nfs/dbraw/zinc/13/72/96/801137296.db2.gz BBIBKCUWHUTQKR-YUMQZZPRSA-N 1 2 281.272 0.009 20 5 CCBDLO Cc1c(C)c(-n2[nH]c(=O)nc2C[NH3+])ncc1[N+](=O)[O-] ZINC001157933947 801530677 /nfs/dbraw/zinc/53/06/77/801530677.db2.gz LKTFIFYASIUKAM-UHFFFAOYSA-N 1 2 264.245 0.352 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC)n2)C[NH2+]1 ZINC001158254893 801605629 /nfs/dbraw/zinc/60/56/29/801605629.db2.gz XRYHLCMOIIFBMD-SFYZADRCSA-N 1 2 296.283 0.314 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)ncc1[N+](=O)[O-] ZINC001161946367 802254229 /nfs/dbraw/zinc/25/42/29/802254229.db2.gz WXMGBYDQTHOPEF-RXMQYKEDSA-N 1 2 289.679 0.341 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2cnc(F)c([N+](=O)[O-])c2)C1 ZINC001162689617 802399089 /nfs/dbraw/zinc/39/90/89/802399089.db2.gz KZFDIXQAFKUGCI-VIFPVBQESA-N 1 2 270.264 0.871 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2cnc(F)c([N+](=O)[O-])c2)C1 ZINC001162689617 802399098 /nfs/dbraw/zinc/39/90/98/802399098.db2.gz KZFDIXQAFKUGCI-VIFPVBQESA-N 1 2 270.264 0.871 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCc1[nH]cc[nH+]1 ZINC001251746992 807700531 /nfs/dbraw/zinc/70/05/31/807700531.db2.gz YNQPNKFOUZTKDT-UHFFFAOYSA-N 1 2 292.299 0.572 20 5 CCBDLO O=C(NC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030293723 815961114 /nfs/dbraw/zinc/96/11/14/815961114.db2.gz QGAYBATVLXCCMT-NXEZZACHSA-N 1 2 289.282 0.497 20 5 CCBDLO CN1Cc2cc(-n3[nH]c(=O)nc3C[NH3+])cc([N+](=O)[O-])c2N1 ZINC001168763489 820149419 /nfs/dbraw/zinc/14/94/19/820149419.db2.gz WTHJLDOXEDXFON-UHFFFAOYSA-N 1 2 291.271 0.112 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2cnc(F)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001169132726 836148013 /nfs/dbraw/zinc/14/80/13/836148013.db2.gz VIKAXRFVBXRCIY-SVRRBLITSA-N 1 2 284.247 0.444 20 5 CCBDLO C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274347835 848455441 /nfs/dbraw/zinc/45/54/41/848455441.db2.gz JCKJZIRQDXNJAO-RKDXNWHRSA-N 1 2 267.289 0.048 20 5 CCBDLO Cc1nc(N2CCc3[nH+]c[nH]c3C2)ncc1[N+](=O)[O-] ZINC001118594987 856358681 /nfs/dbraw/zinc/35/86/81/856358681.db2.gz HRCRGJRGNOWYLL-UHFFFAOYSA-N 1 2 260.257 0.979 20 5 CCBDLO CCc1[nH]c(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c[nH+]1 ZINC001303974244 908131195 /nfs/dbraw/zinc/13/11/95/908131195.db2.gz DMDSIOHBSRUSGC-UHFFFAOYSA-N 1 2 290.283 0.788 20 5 CCBDLO CCc1[nH]cc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])[nH+]1 ZINC001303974244 908131201 /nfs/dbraw/zinc/13/12/01/908131201.db2.gz DMDSIOHBSRUSGC-UHFFFAOYSA-N 1 2 290.283 0.788 20 5 CCBDLO NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599666622 361779609 /nfs/dbraw/zinc/77/96/09/361779609.db2.gz YVUGHCRPBANZPX-LLVKDONJSA-N 1 2 279.296 0.671 20 5 CCBDLO NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599666622 361779611 /nfs/dbraw/zinc/77/96/11/361779611.db2.gz YVUGHCRPBANZPX-LLVKDONJSA-N 1 2 279.296 0.671 20 5 CCBDLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000600420944 361957106 /nfs/dbraw/zinc/95/71/06/361957106.db2.gz MBBMECOMXUWVMP-ZDUSSCGKSA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000600420944 361957113 /nfs/dbraw/zinc/95/71/13/361957113.db2.gz MBBMECOMXUWVMP-ZDUSSCGKSA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600421361 361957372 /nfs/dbraw/zinc/95/73/72/361957372.db2.gz NFHYDZJCIUIXGK-LBPRGKRZSA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600421361 361957378 /nfs/dbraw/zinc/95/73/78/361957378.db2.gz NFHYDZJCIUIXGK-LBPRGKRZSA-N 1 2 293.323 0.964 20 5 CCBDLO O=C(C[N@H+]1CC[C@@H](O)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114485714 349833069 /nfs/dbraw/zinc/83/30/69/349833069.db2.gz KSOKNKUIZOUJNW-GFCCVEGCSA-N 1 2 291.307 0.551 20 5 CCBDLO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114485714 349833073 /nfs/dbraw/zinc/83/30/73/349833073.db2.gz KSOKNKUIZOUJNW-GFCCVEGCSA-N 1 2 291.307 0.551 20 5 CCBDLO COCCCOCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602597088 362700565 /nfs/dbraw/zinc/70/05/65/362700565.db2.gz ULFLPWBFOJCCSN-UHFFFAOYSA-N 1 2 286.332 0.813 20 5 CCBDLO COCCCOCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602597088 362700572 /nfs/dbraw/zinc/70/05/72/362700572.db2.gz ULFLPWBFOJCCSN-UHFFFAOYSA-N 1 2 286.332 0.813 20 5 CCBDLO CO[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1OC ZINC000602628954 362720964 /nfs/dbraw/zinc/72/09/64/362720964.db2.gz CCUOTNYYEILJGK-AOOOYVTPSA-N 1 2 270.289 0.174 20 5 CCBDLO CO[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1OC ZINC000602628954 362720971 /nfs/dbraw/zinc/72/09/71/362720971.db2.gz CCUOTNYYEILJGK-AOOOYVTPSA-N 1 2 270.289 0.174 20 5 CCBDLO Cn1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602673696 362742433 /nfs/dbraw/zinc/74/24/33/362742433.db2.gz BKDFHEUFYWQKPQ-VIFPVBQESA-N 1 2 290.270 0.778 20 5 CCBDLO Cn1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602673696 362742438 /nfs/dbraw/zinc/74/24/38/362742438.db2.gz BKDFHEUFYWQKPQ-VIFPVBQESA-N 1 2 290.270 0.778 20 5 CCBDLO Cn1cc[nH+]c1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000343298452 137126271 /nfs/dbraw/zinc/12/62/71/137126271.db2.gz GARNELLLIJEZJF-UHFFFAOYSA-N 1 2 278.272 0.231 20 5 CCBDLO Cn1c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000344347770 137189595 /nfs/dbraw/zinc/18/95/95/137189595.db2.gz OKGCVTKGTCOSSY-MRVPVSSYSA-N 1 2 289.295 0.944 20 5 CCBDLO Cn1c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000344347770 137189596 /nfs/dbraw/zinc/18/95/96/137189596.db2.gz OKGCVTKGTCOSSY-MRVPVSSYSA-N 1 2 289.295 0.944 20 5 CCBDLO COC[C@H](C(N)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000339358046 215119075 /nfs/dbraw/zinc/11/90/75/215119075.db2.gz LDIXWGGUMBQREA-LLVKDONJSA-N 1 2 297.311 0.536 20 5 CCBDLO COC[C@H](C(N)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000339358046 215119079 /nfs/dbraw/zinc/11/90/79/215119079.db2.gz LDIXWGGUMBQREA-LLVKDONJSA-N 1 2 297.311 0.536 20 5 CCBDLO Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000033376213 348145668 /nfs/dbraw/zinc/14/56/68/348145668.db2.gz TXLFRXCWZYIYLP-UHFFFAOYSA-N 1 2 293.323 0.653 20 5 CCBDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000602910391 362882043 /nfs/dbraw/zinc/88/20/43/362882043.db2.gz XUGSHBNUMHLBOR-MWLCHTKSSA-N 1 2 272.326 0.974 20 5 CCBDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000602910391 362882047 /nfs/dbraw/zinc/88/20/47/362882047.db2.gz XUGSHBNUMHLBOR-MWLCHTKSSA-N 1 2 272.326 0.974 20 5 CCBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000347277344 137328377 /nfs/dbraw/zinc/32/83/77/137328377.db2.gz NAHYIBFZWJGIEL-UHFFFAOYSA-N 1 2 294.311 0.518 20 5 CCBDLO Cc1[nH]nc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000347530598 137341567 /nfs/dbraw/zinc/34/15/67/137341567.db2.gz YZTSXCGFWXOLDO-UHFFFAOYSA-N 1 2 264.245 0.622 20 5 CCBDLO Cc1n[nH]c(C(=O)N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000347530598 137341568 /nfs/dbraw/zinc/34/15/68/137341568.db2.gz YZTSXCGFWXOLDO-UHFFFAOYSA-N 1 2 264.245 0.622 20 5 CCBDLO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347784679 137356786 /nfs/dbraw/zinc/35/67/86/137356786.db2.gz BGNUKTLFDCWCHK-UHFFFAOYSA-N 1 2 253.233 0.841 20 5 CCBDLO CC[C@@H](C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC ZINC000348010533 137368818 /nfs/dbraw/zinc/36/88/18/137368818.db2.gz SGCQORSZEVHALD-MWLCHTKSSA-N 1 2 284.316 0.969 20 5 CCBDLO NC(=O)[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000051104388 348484437 /nfs/dbraw/zinc/48/44/37/348484437.db2.gz WBZRVPBXJYTWKO-GFCCVEGCSA-N 1 2 295.295 0.160 20 5 CCBDLO NC(=O)[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000051104388 348484440 /nfs/dbraw/zinc/48/44/40/348484440.db2.gz WBZRVPBXJYTWKO-GFCCVEGCSA-N 1 2 295.295 0.160 20 5 CCBDLO C[N@@H+](CC(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075715038 349048610 /nfs/dbraw/zinc/04/86/10/349048610.db2.gz AFELVSIDQXYMLP-MRVPVSSYSA-N 1 2 264.232 0.349 20 5 CCBDLO C[N@H+](CC(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075715038 349048613 /nfs/dbraw/zinc/04/86/13/349048613.db2.gz AFELVSIDQXYMLP-MRVPVSSYSA-N 1 2 264.232 0.349 20 5 CCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000081015972 349239845 /nfs/dbraw/zinc/23/98/45/349239845.db2.gz UEUHWSIVTSESOC-LBPRGKRZSA-N 1 2 295.339 0.724 20 5 CCBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1COCC[NH2+]1 ZINC000088357871 349360421 /nfs/dbraw/zinc/36/04/21/349360421.db2.gz QYIIIBACSFYVQK-JTQLQIEISA-N 1 2 251.242 0.522 20 5 CCBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000121370189 350035668 /nfs/dbraw/zinc/03/56/68/350035668.db2.gz GBRHCJAENLWLSK-UHFFFAOYSA-N 1 2 290.283 0.278 20 5 CCBDLO CN(Cc1ccc(N)[nH+]c1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000135983619 350410976 /nfs/dbraw/zinc/41/09/76/350410976.db2.gz BVDUJBOATMDOKU-UHFFFAOYSA-N 1 2 275.272 0.581 20 5 CCBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000339732379 215319544 /nfs/dbraw/zinc/31/95/44/215319544.db2.gz TVGPZGOTLNPILJ-UHFFFAOYSA-N 1 2 296.327 0.338 20 5 CCBDLO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1C[N@H+](C)CCO1 ZINC000154854306 350601960 /nfs/dbraw/zinc/60/19/60/350601960.db2.gz GYLJFMWRMBAWAX-IONNQARKSA-N 1 2 282.304 0.098 20 5 CCBDLO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000154854306 350601963 /nfs/dbraw/zinc/60/19/63/350601963.db2.gz GYLJFMWRMBAWAX-IONNQARKSA-N 1 2 282.304 0.098 20 5 CCBDLO CN(CC[NH+](C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234246045 352156009 /nfs/dbraw/zinc/15/60/09/352156009.db2.gz IWISGLLRKGHUHS-UHFFFAOYSA-N 1 2 267.285 0.934 20 5 CCBDLO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000234781434 352171098 /nfs/dbraw/zinc/17/10/98/352171098.db2.gz ZWAWWEQYCLKMNC-WCBMZHEXSA-N 1 2 281.268 0.616 20 5 CCBDLO C[C@H]([C@H](C)Nc1c([N+](=O)[O-])ncn1C)[NH+]1CCOCC1 ZINC000264240465 352595252 /nfs/dbraw/zinc/59/52/52/352595252.db2.gz JLCSZGFESZSZTB-VHSXEESVSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@H]([C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000152775741 188043109 /nfs/dbraw/zinc/04/31/09/188043109.db2.gz IKEOHUUZBPIQHE-DTWKUNHWSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@]1=O ZINC000277340361 353238162 /nfs/dbraw/zinc/23/81/62/353238162.db2.gz WBNOWBDQCPCWDL-APBUJDDRSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@]1=O ZINC000277340361 353238168 /nfs/dbraw/zinc/23/81/68/353238168.db2.gz WBNOWBDQCPCWDL-APBUJDDRSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@@]1=O ZINC000277340356 353238193 /nfs/dbraw/zinc/23/81/93/353238193.db2.gz WBNOWBDQCPCWDL-DGIBIBHMSA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[S@@]1=O ZINC000277340356 353238197 /nfs/dbraw/zinc/23/81/97/353238197.db2.gz WBNOWBDQCPCWDL-DGIBIBHMSA-N 1 2 286.357 0.634 20 5 CCBDLO CN1CC[N@H+](C)[C@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000287300333 353637160 /nfs/dbraw/zinc/63/71/60/353637160.db2.gz LJQIFTDWRWMVCG-LLVKDONJSA-N 1 2 279.344 0.835 20 5 CCBDLO 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1 2 267.260 0.797 20 5 CCBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000842622255 642918345 /nfs/dbraw/zinc/91/83/45/642918345.db2.gz KGNHTVLBZQLKRI-KOLCDFICSA-N 1 2 252.274 0.860 20 5 CCBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000842622255 642918352 /nfs/dbraw/zinc/91/83/52/642918352.db2.gz KGNHTVLBZQLKRI-KOLCDFICSA-N 1 2 252.274 0.860 20 5 CCBDLO [NH3+]C[C@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)=NO1 ZINC000852882626 644041520 /nfs/dbraw/zinc/04/15/20/644041520.db2.gz NESBMPZFPDRAOJ-SSDOTTSWSA-N 1 2 280.240 0.343 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870093564 645961639 /nfs/dbraw/zinc/96/16/39/645961639.db2.gz VCKCCQQAHSGABQ-JHJVBQTASA-N 1 2 291.307 0.530 20 5 CCBDLO O=[N+]([O-])CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000930452363 648862928 /nfs/dbraw/zinc/86/29/28/648862928.db2.gz IBFUTLLGEXFLJX-SFYZADRCSA-N 1 2 256.224 0.756 20 5 CCBDLO O=[N+]([O-])CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000930452363 648862930 /nfs/dbraw/zinc/86/29/30/648862930.db2.gz IBFUTLLGEXFLJX-SFYZADRCSA-N 1 2 256.224 0.756 20 5 CCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCn3cccc3C2)c1 ZINC000932529322 649079228 /nfs/dbraw/zinc/07/92/28/649079228.db2.gz NRVQBKRTBOKUAV-ZDUSSCGKSA-N 1 2 291.311 0.470 20 5 CCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCn3cccc3C2)c1 ZINC000932529322 649079232 /nfs/dbraw/zinc/07/92/32/649079232.db2.gz NRVQBKRTBOKUAV-ZDUSSCGKSA-N 1 2 291.311 0.470 20 5 CCBDLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001152486151 800529477 /nfs/dbraw/zinc/52/94/77/800529477.db2.gz IZZCPZHLKOHHAP-JTQLQIEISA-N 1 2 290.279 0.651 20 5 CCBDLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)c1ccccc1[N+](=O)[O-] ZINC001152486151 800529483 /nfs/dbraw/zinc/52/94/83/800529483.db2.gz IZZCPZHLKOHHAP-JTQLQIEISA-N 1 2 290.279 0.651 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])ccn2)C[NH2+]1 ZINC001156240141 801137613 /nfs/dbraw/zinc/13/76/13/801137613.db2.gz IFLFPTPKAWLSAK-CBAPKCEASA-N 1 2 266.257 0.305 20 5 CCBDLO Cc1ccc(NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH+]c1 ZINC001156470055 801170343 /nfs/dbraw/zinc/17/03/43/801170343.db2.gz KSDUKZVNBDWFIH-NXEZZACHSA-N 1 2 264.285 0.583 20 5 CCBDLO Cc1ncc([N+](=O)[O-])c(NC(=N)N2CC[NH+](C)CC2)n1 ZINC001157914502 801518104 /nfs/dbraw/zinc/51/81/04/801518104.db2.gz GJLGCYRLOHALEG-UHFFFAOYSA-N 1 2 279.304 0.287 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C[NH2+]1 ZINC001158254980 801605472 /nfs/dbraw/zinc/60/54/72/801605472.db2.gz MASSGOUEVVRZGF-ZJUUUORDSA-N 1 2 294.311 0.922 20 5 CCBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001159299948 801787067 /nfs/dbraw/zinc/78/70/67/801787067.db2.gz IAJXZEZKRGHBOG-UHFFFAOYSA-N 1 2 278.272 0.273 20 5 CCBDLO COc1c(O)ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-] ZINC001204359638 803080896 /nfs/dbraw/zinc/08/08/96/803080896.db2.gz QHBIVGCVOGOZOB-AOOOYVTPSA-N 1 2 298.295 0.237 20 5 CCBDLO COc1c(O)ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-] ZINC001204359638 803080900 /nfs/dbraw/zinc/08/09/00/803080900.db2.gz QHBIVGCVOGOZOB-AOOOYVTPSA-N 1 2 298.295 0.237 20 5 CCBDLO CN1CC[NH+](CCO[C@@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001224548375 805050159 /nfs/dbraw/zinc/05/01/59/805050159.db2.gz BAEMNPRWLVMYAD-AWEZNQCLSA-N 1 2 294.355 0.663 20 5 CCBDLO Cc1noc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001261640058 809040612 /nfs/dbraw/zinc/04/06/12/809040612.db2.gz VTPRHJBIMVCHCD-BDAKNGLRSA-N 1 2 271.273 0.066 20 5 CCBDLO Cc1noc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001261640058 809040615 /nfs/dbraw/zinc/04/06/15/809040615.db2.gz VTPRHJBIMVCHCD-BDAKNGLRSA-N 1 2 271.273 0.066 20 5 CCBDLO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCC3)COC2)cn1 ZINC001168451761 816573931 /nfs/dbraw/zinc/57/39/31/816573931.db2.gz UIQHVXOSSLDZQW-UHFFFAOYSA-N 1 2 279.300 0.662 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000700596295 818811718 /nfs/dbraw/zinc/81/17/18/818811718.db2.gz YZXWYWSKVCGWLH-SECBINFHSA-N 1 2 285.325 0.405 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000700596295 818811724 /nfs/dbraw/zinc/81/17/24/818811724.db2.gz YZXWYWSKVCGWLH-SECBINFHSA-N 1 2 285.325 0.405 20 5 CCBDLO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001155197961 822089926 /nfs/dbraw/zinc/08/99/26/822089926.db2.gz ZHFMAPSZMDJHIG-SECBINFHSA-N 1 2 267.289 0.436 20 5 CCBDLO Cc1ncc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001155197961 822089934 /nfs/dbraw/zinc/08/99/34/822089934.db2.gz ZHFMAPSZMDJHIG-SECBINFHSA-N 1 2 267.289 0.436 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2N)C1 ZINC001155198052 822091094 /nfs/dbraw/zinc/09/10/94/822091094.db2.gz VTSQUUFLWGENMP-VIFPVBQESA-N 1 2 267.289 0.315 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2N)C1 ZINC001155198052 822091101 /nfs/dbraw/zinc/09/11/01/822091101.db2.gz VTSQUUFLWGENMP-VIFPVBQESA-N 1 2 267.289 0.315 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2OC)C[NH2+]1 ZINC001169123739 836139787 /nfs/dbraw/zinc/13/97/87/836139787.db2.gz KZHSDSIEMYGPKY-APPZFPTMSA-N 1 2 296.283 0.314 20 5 CCBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001177128469 842504533 /nfs/dbraw/zinc/50/45/33/842504533.db2.gz MZRFSFSPCZSSSI-SNVBAGLBSA-N 1 2 296.327 0.764 20 5 CCBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001177128469 842504538 /nfs/dbraw/zinc/50/45/38/842504538.db2.gz MZRFSFSPCZSSSI-SNVBAGLBSA-N 1 2 296.327 0.764 20 5 CCBDLO C[C@@H]1C[N@H+](CCNc2nn(C)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC001186990375 844635621 /nfs/dbraw/zinc/63/56/21/844635621.db2.gz ZPDSVSWNWOCNDV-NXEZZACHSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNc2nn(C)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC001186990375 844635626 /nfs/dbraw/zinc/63/56/26/844635626.db2.gz ZPDSVSWNWOCNDV-NXEZZACHSA-N 1 2 283.332 0.849 20 5 CCBDLO Cc1nc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC001195204901 846480991 /nfs/dbraw/zinc/48/09/91/846480991.db2.gz SVLSKBDAFDNLGN-JTQLQIEISA-N 1 2 291.315 0.707 20 5 CCBDLO Cc1nc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC001195204901 846480995 /nfs/dbraw/zinc/48/09/95/846480995.db2.gz SVLSKBDAFDNLGN-JTQLQIEISA-N 1 2 291.315 0.707 20 5 CCBDLO O=C(NCCc1[nH]cc[nH+]1)c1c[nH]nc1[N+](=O)[O-] ZINC001327138576 914393406 /nfs/dbraw/zinc/39/34/06/914393406.db2.gz FBNJIVADASQWLJ-UHFFFAOYSA-N 1 2 250.218 0.014 20 5 CCBDLO Cc1nc(NC2CC([NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001331531823 917401132 /nfs/dbraw/zinc/40/11/32/917401132.db2.gz ICNASWANYMTWDZ-UHFFFAOYSA-N 1 2 293.327 0.968 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC001334534197 919640481 /nfs/dbraw/zinc/64/04/81/919640481.db2.gz UOPSKUBXBVHOTB-MRVPVSSYSA-N 1 2 290.283 0.270 20 5 CCBDLO Cc1cccc(C(=O)NC[C@H]2COCC[N@H+]2C)c1[N+](=O)[O-] ZINC000600421790 361956712 /nfs/dbraw/zinc/95/67/12/361956712.db2.gz OJLVANLSWYOZFL-NSHDSACASA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1cccc(C(=O)NC[C@H]2COCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000600421790 361956715 /nfs/dbraw/zinc/95/67/15/361956715.db2.gz OJLVANLSWYOZFL-NSHDSACASA-N 1 2 293.323 0.964 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000600422982 361958528 /nfs/dbraw/zinc/95/85/28/361958528.db2.gz YGIJUZBDCAVUNR-JTQLQIEISA-N 1 2 280.284 0.050 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000600422982 361958532 /nfs/dbraw/zinc/95/85/32/361958532.db2.gz YGIJUZBDCAVUNR-JTQLQIEISA-N 1 2 280.284 0.050 20 5 CCBDLO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCOCC2)cc1 ZINC000601177072 362166965 /nfs/dbraw/zinc/16/69/65/362166965.db2.gz QNCWFRXZNMCHBP-LBPRGKRZSA-N 1 2 281.312 0.700 20 5 CCBDLO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCOCC2)c(F)c1 ZINC000601177073 362167107 /nfs/dbraw/zinc/16/71/07/362167107.db2.gz QSHQXQDFZHWALI-JTQLQIEISA-N 1 2 299.302 0.839 20 5 CCBDLO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C ZINC000117293402 349883621 /nfs/dbraw/zinc/88/36/21/349883621.db2.gz AKRJBBZBDVGQMB-SNVBAGLBSA-N 1 2 297.311 0.981 20 5 CCBDLO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C ZINC000117293402 349883623 /nfs/dbraw/zinc/88/36/23/349883623.db2.gz AKRJBBZBDVGQMB-SNVBAGLBSA-N 1 2 297.311 0.981 20 5 CCBDLO CN(C)C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157657972 290712551 /nfs/dbraw/zinc/71/25/51/290712551.db2.gz ZRXJWYDEHJIQNU-UHFFFAOYSA-N 1 2 296.331 0.091 20 5 CCBDLO O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CC[NH2+]C2 ZINC000601931349 362428648 /nfs/dbraw/zinc/42/86/48/362428648.db2.gz INIVNUKRJDOUQZ-SNVBAGLBSA-N 1 2 260.253 0.907 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000601935985 362429998 /nfs/dbraw/zinc/42/99/98/362429998.db2.gz NIRAJKWUHNPOBX-VIFPVBQESA-N 1 2 290.279 0.916 20 5 CCBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800553 362808096 /nfs/dbraw/zinc/80/80/96/362808096.db2.gz AKRZGZKLKBKYMO-NTCNTBNZSA-N 1 2 274.346 0.527 20 5 CCBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800553 362808099 /nfs/dbraw/zinc/80/80/99/362808099.db2.gz AKRZGZKLKBKYMO-NTCNTBNZSA-N 1 2 274.346 0.527 20 5 CCBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000344952116 137223339 /nfs/dbraw/zinc/22/33/39/137223339.db2.gz PCMBCJGSHLLGCE-MRVPVSSYSA-N 1 2 290.283 0.681 20 5 CCBDLO O=C1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCN12 ZINC000346485221 137289175 /nfs/dbraw/zinc/28/91/75/137289175.db2.gz LPDZLADZTNPKSB-JTQLQIEISA-N 1 2 279.300 0.098 20 5 CCBDLO O=C1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCN12 ZINC000346485221 137289176 /nfs/dbraw/zinc/28/91/76/137289176.db2.gz LPDZLADZTNPKSB-JTQLQIEISA-N 1 2 279.300 0.098 20 5 CCBDLO Cc1c(C[N@@H+]2CCO[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000051104233 348484882 /nfs/dbraw/zinc/48/48/82/348484882.db2.gz DDYVJPCGEXSBCJ-LBPRGKRZSA-N 1 2 279.296 0.589 20 5 CCBDLO Cc1c(C[N@H+]2CCO[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000051104233 348484885 /nfs/dbraw/zinc/48/48/85/348484885.db2.gz DDYVJPCGEXSBCJ-LBPRGKRZSA-N 1 2 279.296 0.589 20 5 CCBDLO O=C(Cn1cc[nH+]c1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000073513979 348953567 /nfs/dbraw/zinc/95/35/67/348953567.db2.gz UVBGRDWEXPFJTK-UHFFFAOYSA-N 1 2 290.279 0.987 20 5 CCBDLO O=[N+]([O-])c1cccc(F)c1C[NH+](CCO)CCO ZINC000075714154 349047512 /nfs/dbraw/zinc/04/75/12/349047512.db2.gz VMXVPAOTEWIVGH-UHFFFAOYSA-N 1 2 258.249 0.521 20 5 CCBDLO C[C@@](O)(CNc1ncccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000078343473 349135757 /nfs/dbraw/zinc/13/57/57/349135757.db2.gz LJBGVCIVVSEWTE-CYBMUJFWSA-N 1 2 296.327 0.485 20 5 CCBDLO COC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090550608 180003011 /nfs/dbraw/zinc/00/30/11/180003011.db2.gz UTVLBLUCCHZGFL-GFCCVEGCSA-N 1 2 297.311 0.104 20 5 CCBDLO COC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090550608 180003015 /nfs/dbraw/zinc/00/30/15/180003015.db2.gz UTVLBLUCCHZGFL-GFCCVEGCSA-N 1 2 297.311 0.104 20 5 CCBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@]23CCOC3)n1 ZINC000193679154 351840741 /nfs/dbraw/zinc/84/07/41/351840741.db2.gz 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CCBDLO C[NH2+]CCN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286290958 353575042 /nfs/dbraw/zinc/57/50/42/353575042.db2.gz WXVKUJSQPRTOSH-UHFFFAOYSA-N 1 2 253.258 0.592 20 5 CCBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cn1cc[nH+]c1 ZINC000286628100 353600903 /nfs/dbraw/zinc/60/09/03/353600903.db2.gz YDDYDWPHYUOWKI-QMMMGPOBSA-N 1 2 278.272 0.581 20 5 CCBDLO C[C@@H](Cn1cc[nH+]c1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290586667 353736484 /nfs/dbraw/zinc/73/64/84/353736484.db2.gz WRATTZHFKTYSSG-QMMMGPOBSA-N 1 2 290.283 0.786 20 5 CCBDLO CC[C@@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000293275039 353800715 /nfs/dbraw/zinc/80/07/15/353800715.db2.gz STKRRWYEYZOWIS-LLVKDONJSA-N 1 2 270.289 0.723 20 5 CCBDLO CN1CC[N@H+](C)[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000313091362 354212296 /nfs/dbraw/zinc/21/22/96/354212296.db2.gz YBIXBLCWPARVGK-SECBINFHSA-N 1 2 280.332 0.230 20 5 CCBDLO CN1CC[N@@H+](C)[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000313091362 354212301 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ZINC000595560727 360580388 /nfs/dbraw/zinc/58/03/88/360580388.db2.gz XSINPQTWSPMKPP-DTWKUNHWSA-N 1 2 271.273 0.473 20 5 CCBDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595560727 360580390 /nfs/dbraw/zinc/58/03/90/360580390.db2.gz XSINPQTWSPMKPP-DTWKUNHWSA-N 1 2 271.273 0.473 20 5 CCBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cnc[nH]1 ZINC000595597501 360592041 /nfs/dbraw/zinc/59/20/41/360592041.db2.gz SCZOSOZSCLNNJC-UHFFFAOYSA-N 1 2 250.262 0.646 20 5 CCBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cnc[nH]1 ZINC000595597501 360592044 /nfs/dbraw/zinc/59/20/44/360592044.db2.gz SCZOSOZSCLNNJC-UHFFFAOYSA-N 1 2 250.262 0.646 20 5 CCBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c[nH]cn1 ZINC000595597501 360592048 /nfs/dbraw/zinc/59/20/48/360592048.db2.gz SCZOSOZSCLNNJC-UHFFFAOYSA-N 1 2 250.262 0.646 20 5 CCBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c[nH]cn1 ZINC000595597501 360592053 /nfs/dbraw/zinc/59/20/53/360592053.db2.gz SCZOSOZSCLNNJC-UHFFFAOYSA-N 1 2 250.262 0.646 20 5 CCBDLO C[C@@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000596433409 360893859 /nfs/dbraw/zinc/89/38/59/360893859.db2.gz VECXUFMNCSPDBV-NXEZZACHSA-N 1 2 281.316 0.328 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000596433409 360893862 /nfs/dbraw/zinc/89/38/62/360893862.db2.gz VECXUFMNCSPDBV-NXEZZACHSA-N 1 2 281.316 0.328 20 5 CCBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)CO1 ZINC000597995268 361303003 /nfs/dbraw/zinc/30/30/03/361303003.db2.gz LVOYGKGRZNWPDC-RKDXNWHRSA-N 1 2 297.315 0.157 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)CO1 ZINC000597995268 361303010 /nfs/dbraw/zinc/30/30/10/361303010.db2.gz LVOYGKGRZNWPDC-RKDXNWHRSA-N 1 2 297.315 0.157 20 5 CCBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000598743153 361506321 /nfs/dbraw/zinc/50/63/21/361506321.db2.gz ZASNELNUZYCXCW-UHFFFAOYSA-N 1 2 297.315 0.159 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599161374 361592828 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COc1cccc(C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000195308130 389123326 /nfs/dbraw/zinc/12/33/26/389123326.db2.gz OBHJAWZIJPCKBE-UHFFFAOYSA-N 1 2 279.296 0.991 20 5 CCBDLO COC(=O)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342701561 389244726 /nfs/dbraw/zinc/24/47/26/389244726.db2.gz YYGVRUGKPKSJCA-JTQLQIEISA-N 1 2 298.295 0.439 20 5 CCBDLO COC(=O)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342701561 389244729 /nfs/dbraw/zinc/24/47/29/389244729.db2.gz YYGVRUGKPKSJCA-JTQLQIEISA-N 1 2 298.295 0.439 20 5 CCBDLO C[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCOCC1 ZINC000264196442 389311672 /nfs/dbraw/zinc/31/16/72/389311672.db2.gz CYVWHHZFBCCFQU-VHSXEESVSA-N 1 2 296.327 0.762 20 5 CCBDLO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000436954946 389987603 /nfs/dbraw/zinc/98/76/03/389987603.db2.gz JCOTWWYVGMCNNR-QMMMGPOBSA-N 1 2 267.285 0.980 20 5 CCBDLO CC[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547751648 390395851 /nfs/dbraw/zinc/39/58/51/390395851.db2.gz OBHCODHHZYNZSY-UHFFFAOYSA-N 1 2 253.262 0.096 20 5 CCBDLO Cc1[nH]nc(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000522258197 390630939 /nfs/dbraw/zinc/63/09/39/390630939.db2.gz GJENLHWKFCTEMM-UHFFFAOYSA-N 1 2 276.256 0.520 20 5 CCBDLO Cc1n[nH]c(C(=O)N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000522258197 390630945 /nfs/dbraw/zinc/63/09/45/390630945.db2.gz GJENLHWKFCTEMM-UHFFFAOYSA-N 1 2 276.256 0.520 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1SC[C@H]1C[N@H+](C)CCO1 ZINC000566734331 390642427 /nfs/dbraw/zinc/64/24/27/390642427.db2.gz BZYBWGONXSMFAJ-MRVPVSSYSA-N 1 2 272.330 0.751 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1SC[C@H]1C[N@@H+](C)CCO1 ZINC000566734331 390642429 /nfs/dbraw/zinc/64/24/29/390642429.db2.gz BZYBWGONXSMFAJ-MRVPVSSYSA-N 1 2 272.330 0.751 20 5 CCBDLO O=C(NCCCn1cc[nH+]c1)c1c[nH]nc1[N+](=O)[O-] ZINC000547751480 285972593 /nfs/dbraw/zinc/97/25/93/285972593.db2.gz IRYZGJHPBWTYHX-UHFFFAOYSA-N 1 2 264.245 0.335 20 5 CCBDLO COc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000340226108 545054475 /nfs/dbraw/zinc/05/44/75/545054475.db2.gz PGWCYTHXSCOCGX-SNVBAGLBSA-N 1 2 279.296 0.924 20 5 CCBDLO COc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000340226108 545054477 /nfs/dbraw/zinc/05/44/77/545054477.db2.gz PGWCYTHXSCOCGX-SNVBAGLBSA-N 1 2 279.296 0.924 20 5 CCBDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000081421994 277118269 /nfs/dbraw/zinc/11/82/69/277118269.db2.gz GTIWTBYOFMLUIN-CYBMUJFWSA-N 1 2 291.307 0.815 20 5 CCBDLO C[N@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000081421994 277118272 /nfs/dbraw/zinc/11/82/72/277118272.db2.gz GTIWTBYOFMLUIN-CYBMUJFWSA-N 1 2 291.307 0.815 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345270958 303020332 /nfs/dbraw/zinc/02/03/32/303020332.db2.gz QSMTXUHUAYNDOC-LLVKDONJSA-N 1 2 295.343 0.629 20 5 CCBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCOCC1 ZINC000192893640 335321160 /nfs/dbraw/zinc/32/11/60/335321160.db2.gz LRDLHAFDCFECNX-UHFFFAOYSA-N 1 2 293.323 0.965 20 5 CCBDLO Cc1nc2n(n1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000426440532 534697006 /nfs/dbraw/zinc/69/70/06/534697006.db2.gz QHOSBMCMRHQZLA-UHFFFAOYSA-N 1 2 277.288 0.207 20 5 CCBDLO Cc1nc2n(n1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000426440532 534697009 /nfs/dbraw/zinc/69/70/09/534697009.db2.gz QHOSBMCMRHQZLA-UHFFFAOYSA-N 1 2 277.288 0.207 20 5 CCBDLO O=[N+]([O-])c1ncn(Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000340670256 527417382 /nfs/dbraw/zinc/41/73/82/527417382.db2.gz HAYHBHIALQRMLV-UHFFFAOYSA-N 1 2 276.178 0.993 20 5 CCBDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000202227918 581259507 /nfs/dbraw/zinc/25/95/07/581259507.db2.gz FPFPRUKQJRVHCQ-UHFFFAOYSA-N 1 2 266.301 0.758 20 5 CCBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795698266 581419647 /nfs/dbraw/zinc/41/96/47/581419647.db2.gz PPKVNIJNHRUALM-NWDGAFQWSA-N 1 2 295.343 0.544 20 5 CCBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795698266 581419648 /nfs/dbraw/zinc/41/96/48/581419648.db2.gz PPKVNIJNHRUALM-NWDGAFQWSA-N 1 2 295.343 0.544 20 5 CCBDLO C[S@](=O)CC[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000741748458 581761180 /nfs/dbraw/zinc/76/11/80/581761180.db2.gz JPIDCFOGFOPWHU-FQEVSTJZSA-N 1 2 298.368 0.490 20 5 CCBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2CCO)cc1 ZINC000776600623 582084499 /nfs/dbraw/zinc/08/44/99/582084499.db2.gz BZTZMZDYLOWIRS-KGLIPLIRSA-N 1 2 296.323 0.711 20 5 CCBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CCO)cc1 ZINC000776600623 582084503 /nfs/dbraw/zinc/08/45/03/582084503.db2.gz BZTZMZDYLOWIRS-KGLIPLIRSA-N 1 2 296.323 0.711 20 5 CCBDLO CS(=O)(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])s1 ZINC000905227683 617188337 /nfs/dbraw/zinc/18/83/37/617188337.db2.gz DYNLGPJHBJBXDL-UHFFFAOYSA-N 1 2 264.328 0.518 20 5 CCBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000895803571 615480458 /nfs/dbraw/zinc/48/04/58/615480458.db2.gz IKAUIXYQLIGOEM-JTQLQIEISA-N 1 2 283.332 0.851 20 5 CCBDLO C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000844942882 615916749 /nfs/dbraw/zinc/91/67/49/615916749.db2.gz HEINOYLZSDTHLF-NXEZZACHSA-N 1 2 267.289 0.048 20 5 CCBDLO CN(CCCn1cc[nH+]c1)Cn1nccc1[N+](=O)[O-] ZINC000130609835 616076788 /nfs/dbraw/zinc/07/67/88/616076788.db2.gz KJSAZXWJXWANOV-UHFFFAOYSA-N 1 2 264.289 0.967 20 5 CCBDLO C[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823500466 616228240 /nfs/dbraw/zinc/22/82/40/616228240.db2.gz CLGJNNZWGGXJOE-GFCCVEGCSA-N 1 2 279.296 0.402 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000913551245 616229714 /nfs/dbraw/zinc/22/97/14/616229714.db2.gz LMMFYRWVDMSHSW-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000913551245 616229715 /nfs/dbraw/zinc/22/97/15/616229715.db2.gz LMMFYRWVDMSHSW-SNVBAGLBSA-N 1 2 297.286 0.482 20 5 CCBDLO COC(=O)C[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000905712537 616667568 /nfs/dbraw/zinc/66/75/68/616667568.db2.gz UOTWEXXUAXMCIB-NXEZZACHSA-N 1 2 282.300 0.880 20 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/nfs/dbraw/zinc/42/10/64/634421064.db2.gz DCTGJVFIBYABFN-SECBINFHSA-N 1 2 277.284 0.672 20 5 CCBDLO Cc1nn(C[N@H+]2CC[C@@H]2CO)c2ncc([N+](=O)[O-])cc12 ZINC000902630793 634421071 /nfs/dbraw/zinc/42/10/71/634421071.db2.gz DCTGJVFIBYABFN-SECBINFHSA-N 1 2 277.284 0.672 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](C/C=C/Cl)CC1 ZINC000981138645 631237524 /nfs/dbraw/zinc/23/75/24/631237524.db2.gz XDAYBCMDNZTFOT-OVWCGVBRSA-N 1 2 287.747 0.938 20 5 CCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000981138645 631237537 /nfs/dbraw/zinc/23/75/37/631237537.db2.gz XDAYBCMDNZTFOT-OVWCGVBRSA-N 1 2 287.747 0.938 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912746748 636667303 /nfs/dbraw/zinc/66/73/03/636667303.db2.gz QTTOQFVZGHEQJG-LBPRGKRZSA-N 1 2 293.323 0.652 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912746748 636667306 /nfs/dbraw/zinc/66/73/06/636667306.db2.gz QTTOQFVZGHEQJG-LBPRGKRZSA-N 1 2 293.323 0.652 20 5 CCBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672600 800049540 /nfs/dbraw/zinc/04/95/40/800049540.db2.gz CPGOWMJYFHEYOI-LMLFDSFASA-N 1 2 270.285 0.058 20 5 CCBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672600 800049549 /nfs/dbraw/zinc/04/95/49/800049549.db2.gz CPGOWMJYFHEYOI-LMLFDSFASA-N 1 2 270.285 0.058 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C[NH2+]1 ZINC001156248860 801138659 /nfs/dbraw/zinc/13/86/59/801138659.db2.gz MASSGOUEVVRZGF-UWVGGRQHSA-N 1 2 294.311 0.922 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2cccc([N+](=O)[O-])n2)C[NH2+]1 ZINC001156243494 801139097 /nfs/dbraw/zinc/13/90/97/801139097.db2.gz XBVIXZKIVGHXDJ-YUMQZZPRSA-N 1 2 266.257 0.305 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(C)cc1[N+](=O)[O-] ZINC001161946509 802254415 /nfs/dbraw/zinc/25/44/15/802254415.db2.gz ZVPVHDRSOKFLIK-MRVPVSSYSA-N 1 2 268.273 0.601 20 5 CCBDLO COC(=O)c1cc([N+](=O)[O-])cc(NOCC[NH3+])n1 ZINC001164414949 802737769 /nfs/dbraw/zinc/73/77/69/802737769.db2.gz PHAONQFOBQDGMZ-UHFFFAOYSA-N 1 2 256.218 0.079 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCC[NH+]1CCOCC1 ZINC001210207249 803641620 /nfs/dbraw/zinc/64/16/20/803641620.db2.gz MVYSBUMRMVVCKY-NSHDSACASA-N 1 2 298.343 0.837 20 5 CCBDLO C[N@@H+]1CCO[C@@H](COc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112247 805324133 /nfs/dbraw/zinc/32/41/33/805324133.db2.gz YYBAZXYVLCSDBY-SECBINFHSA-N 1 2 298.255 0.607 20 5 CCBDLO C[N@H+]1CCO[C@@H](COc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112247 805324141 /nfs/dbraw/zinc/32/41/41/805324141.db2.gz YYBAZXYVLCSDBY-SECBINFHSA-N 1 2 298.255 0.607 20 5 CCBDLO CSc1nc(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624747 805373661 /nfs/dbraw/zinc/37/36/61/805373661.db2.gz DDLXHRKNZKLJGH-ZCFIWIBFSA-N 1 2 286.313 0.895 20 5 CCBDLO CSc1nc(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624747 805373668 /nfs/dbraw/zinc/37/36/68/805373668.db2.gz DDLXHRKNZKLJGH-ZCFIWIBFSA-N 1 2 286.313 0.895 20 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/nfs/dbraw/zinc/72/68/95/816726895.db2.gz JHDSJVPSEVPYLG-GFCCVEGCSA-N 1 2 279.296 0.343 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000699453199 816726898 /nfs/dbraw/zinc/72/68/98/816726898.db2.gz JHDSJVPSEVPYLG-GFCCVEGCSA-N 1 2 279.296 0.343 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])cnc2OC)C[NH2+]1 ZINC001169131082 836146527 /nfs/dbraw/zinc/14/65/27/836146527.db2.gz UDYZETBERRXJOK-XCBNKYQSSA-N 1 2 296.283 0.314 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])c(OC)cn2)C[NH2+]1 ZINC001169130771 836146902 /nfs/dbraw/zinc/14/69/02/836146902.db2.gz UICBUBGFICPQRL-SFYZADRCSA-N 1 2 296.283 0.314 20 5 CCBDLO CCN(CC[NH2+]Cc1nncs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482925390 894702049 /nfs/dbraw/zinc/70/20/49/894702049.db2.gz UWSSYBJUJSXEEW-RKDXNWHRSA-N 1 2 299.356 0.141 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(Cn2cc[nH+]c2)n1 ZINC001330068727 916398313 /nfs/dbraw/zinc/39/83/13/916398313.db2.gz ATGUYCVFVBIZQS-UHFFFAOYSA-N 1 2 275.228 0.623 20 5 CCBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC3(CC2)COCCO3)c1 ZINC001333831171 919197268 /nfs/dbraw/zinc/19/72/68/919197268.db2.gz REIVXTPKSOQPLM-UHFFFAOYSA-N 1 2 282.300 0.630 20 5 CCBDLO CC(C)NC(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090512432 349437806 /nfs/dbraw/zinc/43/78/06/349437806.db2.gz DSEFASJMRBWUOE-UHFFFAOYSA-N 1 2 296.327 0.213 20 5 CCBDLO CC(C)NC(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090512432 349437808 /nfs/dbraw/zinc/43/78/08/349437808.db2.gz DSEFASJMRBWUOE-UHFFFAOYSA-N 1 2 296.327 0.213 20 5 CCBDLO Cc1n[nH]c(C(=O)N2CC[NH+](CCCF)CC2)c1[N+](=O)[O-] ZINC000600071912 361861274 /nfs/dbraw/zinc/86/12/74/361861274.db2.gz HBLLLVUXFMMZQT-UHFFFAOYSA-N 1 2 299.306 0.744 20 5 CCBDLO Cc1[nH]nc(C(=O)N2CC[NH+](CCCF)CC2)c1[N+](=O)[O-] ZINC000600071912 361861276 /nfs/dbraw/zinc/86/12/76/361861276.db2.gz HBLLLVUXFMMZQT-UHFFFAOYSA-N 1 2 299.306 0.744 20 5 CCBDLO Cn1cc(C[N@H+](C)C[C@@H]2CCCO2)c([N+](=O)[O-])n1 ZINC000602440362 362618397 /nfs/dbraw/zinc/61/83/97/362618397.db2.gz JHJLVRQWJMRJCJ-JTQLQIEISA-N 1 2 254.290 0.939 20 5 CCBDLO Cn1cc(C[N@@H+](C)C[C@@H]2CCCO2)c([N+](=O)[O-])n1 ZINC000602440362 362618402 /nfs/dbraw/zinc/61/84/02/362618402.db2.gz JHJLVRQWJMRJCJ-JTQLQIEISA-N 1 2 254.290 0.939 20 5 CCBDLO COC(=O)[C@@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602822576 362819194 /nfs/dbraw/zinc/81/91/94/362819194.db2.gz VOFYMKGWLOFDTQ-MRVPVSSYSA-N 1 2 270.289 0.593 20 5 CCBDLO COC(=O)[C@@H](C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602822576 362819196 /nfs/dbraw/zinc/81/91/96/362819196.db2.gz VOFYMKGWLOFDTQ-MRVPVSSYSA-N 1 2 270.289 0.593 20 5 CCBDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564679 348048172 /nfs/dbraw/zinc/04/81/72/348048172.db2.gz GPKOJWHXYGIQOH-JTQLQIEISA-N 1 2 278.312 0.591 20 5 CCBDLO COC(=O)C12CCC(CC1)[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000602985101 362923017 /nfs/dbraw/zinc/92/30/17/362923017.db2.gz LHSRZRDBXDFMOA-UHFFFAOYSA-N 1 2 294.311 0.961 20 5 CCBDLO COC(=O)C12CCC(CC1)[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000602985101 362923022 /nfs/dbraw/zinc/92/30/22/362923022.db2.gz LHSRZRDBXDFMOA-UHFFFAOYSA-N 1 2 294.311 0.961 20 5 CCBDLO CN(CCCn1cc[nH+]c1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347466069 137338406 /nfs/dbraw/zinc/33/84/06/137338406.db2.gz QRMKVEJOECLMNE-UHFFFAOYSA-N 1 2 292.299 0.687 20 5 CCBDLO COC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347781193 137356821 /nfs/dbraw/zinc/35/68/21/137356821.db2.gz GYUQCRJDYQEFLW-LLVKDONJSA-N 1 2 267.285 0.355 20 5 CCBDLO COC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347781193 137356822 /nfs/dbraw/zinc/35/68/22/137356822.db2.gz GYUQCRJDYQEFLW-LLVKDONJSA-N 1 2 267.285 0.355 20 5 CCBDLO COC(=O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000050063715 348463889 /nfs/dbraw/zinc/46/38/89/348463889.db2.gz CWVHVTVVHIONTP-UHFFFAOYSA-N 1 2 284.316 0.983 20 5 CCBDLO COC(=O)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000050063715 348463893 /nfs/dbraw/zinc/46/38/93/348463893.db2.gz CWVHVTVVHIONTP-UHFFFAOYSA-N 1 2 284.316 0.983 20 5 CCBDLO C[NH+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058723565 348631155 /nfs/dbraw/zinc/63/11/55/348631155.db2.gz MAQOJWCKPIGCOM-UHFFFAOYSA-N 1 2 299.352 0.672 20 5 CCBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(N)=O ZINC000078533814 349142859 /nfs/dbraw/zinc/14/28/59/349142859.db2.gz UCLKOSNROSMGMD-JTQLQIEISA-N 1 2 281.312 0.917 20 5 CCBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(N)=O ZINC000078533814 349142860 /nfs/dbraw/zinc/14/28/60/349142860.db2.gz UCLKOSNROSMGMD-JTQLQIEISA-N 1 2 281.312 0.917 20 5 CCBDLO CC1(C)C(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174845466 351106779 /nfs/dbraw/zinc/10/67/79/351106779.db2.gz JPPSKTCIXIAHPI-UHFFFAOYSA-N 1 2 267.289 0.002 20 5 CCBDLO CC1(C)C(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174845466 351106783 /nfs/dbraw/zinc/10/67/83/351106783.db2.gz JPPSKTCIXIAHPI-UHFFFAOYSA-N 1 2 267.289 0.002 20 5 CCBDLO CC[C@@H]1C(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174870183 351107734 /nfs/dbraw/zinc/10/77/34/351107734.db2.gz XVQGGVJICSETBA-SNVBAGLBSA-N 1 2 267.289 0.002 20 5 CCBDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174870183 351107738 /nfs/dbraw/zinc/10/77/38/351107738.db2.gz XVQGGVJICSETBA-SNVBAGLBSA-N 1 2 267.289 0.002 20 5 CCBDLO COC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176217233 351161402 /nfs/dbraw/zinc/16/14/02/351161402.db2.gz QXDGPNGLGNBGOE-UHFFFAOYSA-N 1 2 270.289 0.675 20 5 CCBDLO COC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176217233 351161405 /nfs/dbraw/zinc/16/14/05/351161405.db2.gz QXDGPNGLGNBGOE-UHFFFAOYSA-N 1 2 270.289 0.675 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000181728735 351334243 /nfs/dbraw/zinc/33/42/43/351334243.db2.gz OKYWDEDEVQVDPK-UHFFFAOYSA-N 1 2 292.295 0.449 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000183392931 351380511 /nfs/dbraw/zinc/38/05/11/351380511.db2.gz NEEMNJOZKFYLPB-MFKMUULPSA-N 1 2 293.323 0.978 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000183392931 351380513 /nfs/dbraw/zinc/38/05/13/351380513.db2.gz NEEMNJOZKFYLPB-MFKMUULPSA-N 1 2 293.323 0.978 20 5 CCBDLO CC(=O)N1CC[NH+](CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603855557 363163516 /nfs/dbraw/zinc/16/35/16/363163516.db2.gz BMAPCPOFISVKMZ-UHFFFAOYSA-N 1 2 293.327 0.566 20 5 CCBDLO C[NH+](C)CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280714967 353377972 /nfs/dbraw/zinc/37/79/72/353377972.db2.gz GWNSMAXHJPIQOW-UHFFFAOYSA-N 1 2 253.258 0.592 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299061430 353986946 /nfs/dbraw/zinc/98/69/46/353986946.db2.gz VGFVYLPOSRPVBD-SECBINFHSA-N 1 2 282.300 0.373 20 5 CCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000331478797 354586546 /nfs/dbraw/zinc/58/65/46/354586546.db2.gz BYQCDFBURQLQTA-JTQLQIEISA-N 1 2 290.283 0.878 20 5 CCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]cc1O ZINC000360662241 138004985 /nfs/dbraw/zinc/00/49/85/138004985.db2.gz FRAFNHXNSULSSL-UHFFFAOYSA-N 1 2 263.213 0.103 20 5 CCBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354057079 356336562 /nfs/dbraw/zinc/33/65/62/356336562.db2.gz QEXMUOLROPSSEA-UHFFFAOYSA-N 1 2 286.251 0.896 20 5 CCBDLO C[NH+](C)C1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354496639 356426106 /nfs/dbraw/zinc/42/61/06/356426106.db2.gz LTJHTQRRWWHWTA-UHFFFAOYSA-N 1 2 265.269 0.686 20 5 CCBDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367891454 357288968 /nfs/dbraw/zinc/28/89/68/357288968.db2.gz KOKCLUSTTKTKQN-SNVBAGLBSA-N 1 2 298.299 0.055 20 5 CCBDLO COC(=O)C[C@@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367891454 357288974 /nfs/dbraw/zinc/28/89/74/357288974.db2.gz KOKCLUSTTKTKQN-SNVBAGLBSA-N 1 2 298.299 0.055 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000408376658 358061338 /nfs/dbraw/zinc/06/13/38/358061338.db2.gz XMBVBHOTOZBCAY-VIFPVBQESA-N 1 2 281.316 0.587 20 5 CCBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000408376658 358061342 /nfs/dbraw/zinc/06/13/42/358061342.db2.gz XMBVBHOTOZBCAY-VIFPVBQESA-N 1 2 281.316 0.587 20 5 CCBDLO COC(=O)[C@@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000595526242 360562670 /nfs/dbraw/zinc/56/26/70/360562670.db2.gz INJIVGIHAWOKKG-CYBMUJFWSA-N 1 2 282.296 0.651 20 5 CCBDLO NC(=O)C1(O)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595474975 360545703 /nfs/dbraw/zinc/54/57/03/360545703.db2.gz HSAQTLQTZXBOCO-UHFFFAOYSA-N 1 2 297.286 0.546 20 5 CCBDLO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598464361 361424262 /nfs/dbraw/zinc/42/42/62/361424262.db2.gz IWGCWOIYOFAZGD-LURJTMIESA-N 1 2 264.245 0.542 20 5 CCBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598947736 361538147 /nfs/dbraw/zinc/53/81/47/361538147.db2.gz NHJCHVWSIQZDBQ-QMMMGPOBSA-N 1 2 275.268 0.864 20 5 CCBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598940847 361534809 /nfs/dbraw/zinc/53/48/09/361534809.db2.gz AUXAPSQWUUIGSM-SECBINFHSA-N 1 2 287.279 0.849 20 5 CCBDLO CCc1nn(C)c(NC[C@H]2COCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000599160426 361592607 /nfs/dbraw/zinc/59/26/07/361592607.db2.gz IXBOHKASMNCFQH-VIFPVBQESA-N 1 2 283.332 0.633 20 5 CCBDLO CCc1nn(C)c(NC[C@H]2COCC[N@H+]2C)c1[N+](=O)[O-] ZINC000599160426 361592609 /nfs/dbraw/zinc/59/26/09/361592609.db2.gz IXBOHKASMNCFQH-VIFPVBQESA-N 1 2 283.332 0.633 20 5 CCBDLO Cc1cn2c([nH+]1)CN(C(=O)c1nn(C)cc1[N+](=O)[O-])CC2 ZINC000611894687 363804266 /nfs/dbraw/zinc/80/42/66/363804266.db2.gz GJYICCYJYIOZCZ-UHFFFAOYSA-N 1 2 290.283 0.489 20 5 CCBDLO NC(=O)[C@@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000330654836 203084309 /nfs/dbraw/zinc/08/43/09/203084309.db2.gz PBGHRXQEHFDDMA-VIFPVBQESA-N 1 2 285.329 0.744 20 5 CCBDLO NC(=O)[C@@H]1CSCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000330654836 203084312 /nfs/dbraw/zinc/08/43/12/203084312.db2.gz PBGHRXQEHFDDMA-VIFPVBQESA-N 1 2 285.329 0.744 20 5 CCBDLO COCC[NH+]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330744432 203180386 /nfs/dbraw/zinc/18/03/86/203180386.db2.gz UZGMAIXUKQCRRK-UHFFFAOYSA-N 1 2 297.315 0.031 20 5 CCBDLO COCC[NH+]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000330744432 203180388 /nfs/dbraw/zinc/18/03/88/203180388.db2.gz UZGMAIXUKQCRRK-UHFFFAOYSA-N 1 2 297.315 0.031 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC[C@@H]1CO ZINC000330857425 203319510 /nfs/dbraw/zinc/31/95/10/203319510.db2.gz ULQISWHZEJDTSY-QMMMGPOBSA-N 1 2 272.330 0.238 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCSC[C@@H]1CO ZINC000330857425 203319514 /nfs/dbraw/zinc/31/95/14/203319514.db2.gz ULQISWHZEJDTSY-QMMMGPOBSA-N 1 2 272.330 0.238 20 5 CCBDLO Cc1cc([N+](=O)[O-])cn(CC[N@@H+]2CCO[C@@H](C)C2)c1=O ZINC000276173735 193233402 /nfs/dbraw/zinc/23/34/02/193233402.db2.gz HSQMDDGRZZSBPP-NSHDSACASA-N 1 2 281.312 0.786 20 5 CCBDLO Cc1cc([N+](=O)[O-])cn(CC[N@H+]2CCO[C@@H](C)C2)c1=O ZINC000276173735 193233404 /nfs/dbraw/zinc/23/34/04/193233404.db2.gz HSQMDDGRZZSBPP-NSHDSACASA-N 1 2 281.312 0.786 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443739077 285250964 /nfs/dbraw/zinc/25/09/64/285250964.db2.gz WDOSBIMINQVSOI-UHFFFAOYSA-N 1 2 299.352 0.887 20 5 CCBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000187298942 388876262 /nfs/dbraw/zinc/87/62/62/388876262.db2.gz FDCJOHCEUBVVEG-ZDUSSCGKSA-N 1 2 295.343 0.782 20 5 CCBDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000187298942 388876264 /nfs/dbraw/zinc/87/62/64/388876264.db2.gz FDCJOHCEUBVVEG-ZDUSSCGKSA-N 1 2 295.343 0.782 20 5 CCBDLO Cc1cc([N+](=O)[O-])cn(CC[N@H+]2CCOC[C@H]2C)c1=O ZINC000331005422 389279784 /nfs/dbraw/zinc/27/97/84/389279784.db2.gz XLVXSDZGCTZJFX-LLVKDONJSA-N 1 2 281.312 0.786 20 5 CCBDLO Cc1cc([N+](=O)[O-])cn(CC[N@@H+]2CCOC[C@H]2C)c1=O ZINC000331005422 389279786 /nfs/dbraw/zinc/27/97/86/389279786.db2.gz XLVXSDZGCTZJFX-LLVKDONJSA-N 1 2 281.312 0.786 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCNC1=O ZINC000430203210 389786801 /nfs/dbraw/zinc/78/68/01/389786801.db2.gz NTUBCSKCPFGWBF-NSHDSACASA-N 1 2 279.296 0.924 20 5 CCBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000430203210 389786803 /nfs/dbraw/zinc/78/68/03/389786803.db2.gz NTUBCSKCPFGWBF-NSHDSACASA-N 1 2 279.296 0.924 20 5 CCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(OC(F)F)C2)c1 ZINC000435870072 389964523 /nfs/dbraw/zinc/96/45/23/389964523.db2.gz LQTNLAGRIDJMHQ-QMMMGPOBSA-N 1 2 292.242 0.076 20 5 CCBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000457136186 390032047 /nfs/dbraw/zinc/03/20/47/390032047.db2.gz VDKVMLLIZJEMRG-VIFPVBQESA-N 1 2 299.352 0.795 20 5 CCBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000457136186 390032048 /nfs/dbraw/zinc/03/20/48/390032048.db2.gz VDKVMLLIZJEMRG-VIFPVBQESA-N 1 2 299.352 0.795 20 5 CCBDLO Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000488710555 390095465 /nfs/dbraw/zinc/09/54/65/390095465.db2.gz FONPZVWQZXSKIP-UHFFFAOYSA-N 1 2 291.315 0.757 20 5 CCBDLO O=C1OCCN1C[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000497007480 390401400 /nfs/dbraw/zinc/40/14/00/390401400.db2.gz IUZHJOKNBOQEIP-JTQLQIEISA-N 1 2 295.299 0.523 20 5 CCBDLO O=C1OCCN1C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000497007480 390401403 /nfs/dbraw/zinc/40/14/03/390401403.db2.gz IUZHJOKNBOQEIP-JTQLQIEISA-N 1 2 295.299 0.523 20 5 CCBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cn2)CCO1 ZINC000523732875 390642996 /nfs/dbraw/zinc/64/29/96/390642996.db2.gz UTKYHEPSFFNBQU-SNVBAGLBSA-N 1 2 266.301 0.544 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cn2)CCO1 ZINC000523732875 390642998 /nfs/dbraw/zinc/64/29/98/390642998.db2.gz UTKYHEPSFFNBQU-SNVBAGLBSA-N 1 2 266.301 0.544 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000572826322 390805451 /nfs/dbraw/zinc/80/54/51/390805451.db2.gz GGWDXXTTWOFLCJ-VIFPVBQESA-N 1 2 254.290 0.531 20 5 CCBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000572826322 390805454 /nfs/dbraw/zinc/80/54/54/390805454.db2.gz GGWDXXTTWOFLCJ-VIFPVBQESA-N 1 2 254.290 0.531 20 5 CCBDLO Cn1c[nH+]cc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000356770801 144031274 /nfs/dbraw/zinc/03/12/74/144031274.db2.gz VMFZCKMHKNBVMM-UHFFFAOYSA-N 1 2 278.272 0.231 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000372345759 144363395 /nfs/dbraw/zinc/36/33/95/144363395.db2.gz LAVQBGYHVFGYEO-TXEJJXNPSA-N 1 2 279.296 0.620 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000372345759 144363396 /nfs/dbraw/zinc/36/33/96/144363396.db2.gz LAVQBGYHVFGYEO-TXEJJXNPSA-N 1 2 279.296 0.620 20 5 CCBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000370652249 292285454 /nfs/dbraw/zinc/28/54/54/292285454.db2.gz GGAGGWOROBULFL-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000370652249 292285457 /nfs/dbraw/zinc/28/54/57/292285457.db2.gz GGAGGWOROBULFL-UHFFFAOYSA-N 1 2 293.327 0.296 20 5 CCBDLO COC(=O)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000049900396 411676476 /nfs/dbraw/zinc/67/64/76/411676476.db2.gz ZVMGXYCSDAPNPI-UHFFFAOYSA-N 1 2 256.262 0.205 20 5 CCBDLO COC(=O)C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000049900396 411676482 /nfs/dbraw/zinc/67/64/82/411676482.db2.gz ZVMGXYCSDAPNPI-UHFFFAOYSA-N 1 2 256.262 0.205 20 5 CCBDLO Cc1sc(C(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000078234121 177327512 /nfs/dbraw/zinc/32/75/12/177327512.db2.gz LACSWFAXAPTMCF-UHFFFAOYSA-N 1 2 299.352 0.715 20 5 CCBDLO O=C1NCC[C@@H]1[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408383671 280290508 /nfs/dbraw/zinc/29/05/08/280290508.db2.gz AZJBJKPXMBPCGH-LBPRGKRZSA-N 1 2 261.281 0.841 20 5 CCBDLO O=C1NCC[C@@H]1[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408383671 280290509 /nfs/dbraw/zinc/29/05/09/280290509.db2.gz AZJBJKPXMBPCGH-LBPRGKRZSA-N 1 2 261.281 0.841 20 5 CCBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000363356323 524981185 /nfs/dbraw/zinc/98/11/85/524981185.db2.gz LQVWMEBFXDFKPU-SECBINFHSA-N 1 2 254.290 0.939 20 5 CCBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000363356323 524981198 /nfs/dbraw/zinc/98/11/98/524981198.db2.gz LQVWMEBFXDFKPU-SECBINFHSA-N 1 2 254.290 0.939 20 5 CCBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000777574484 581121112 /nfs/dbraw/zinc/12/11/12/581121112.db2.gz KLGHFPOGYZQSQZ-UHFFFAOYSA-N 1 2 276.243 0.841 20 5 CCBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000790460333 581188065 /nfs/dbraw/zinc/18/80/65/581188065.db2.gz OCTXTVNZSJYIIP-SNVBAGLBSA-N 1 2 279.300 0.446 20 5 CCBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000790460333 581188067 /nfs/dbraw/zinc/18/80/67/581188067.db2.gz OCTXTVNZSJYIIP-SNVBAGLBSA-N 1 2 279.300 0.446 20 5 CCBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC[N+](=O)[O-] ZINC000791053086 581205762 /nfs/dbraw/zinc/20/57/62/581205762.db2.gz ANQMFPBPTNNFKZ-SECBINFHSA-N 1 2 287.341 0.604 20 5 CCBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053086 581205763 /nfs/dbraw/zinc/20/57/63/581205763.db2.gz ANQMFPBPTNNFKZ-SECBINFHSA-N 1 2 287.341 0.604 20 5 CCBDLO CCCC[N@H+](CC[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000791053756 581206267 /nfs/dbraw/zinc/20/62/67/581206267.db2.gz GFXZCFWFQXFUAS-JTQLQIEISA-N 1 2 264.347 0.552 20 5 CCBDLO CCCC[N@@H+](CC[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000791053756 581206268 /nfs/dbraw/zinc/20/62/68/581206268.db2.gz GFXZCFWFQXFUAS-JTQLQIEISA-N 1 2 264.347 0.552 20 5 CCBDLO O=C1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCN1 ZINC000726790022 581251147 /nfs/dbraw/zinc/25/11/47/581251147.db2.gz NTFZIACNNABOHL-UHFFFAOYSA-N 1 2 279.296 0.796 20 5 CCBDLO O=C1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCCN1 ZINC000726790022 581251150 /nfs/dbraw/zinc/25/11/50/581251150.db2.gz NTFZIACNNABOHL-UHFFFAOYSA-N 1 2 279.296 0.796 20 5 CCBDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000839484734 614096495 /nfs/dbraw/zinc/09/64/95/614096495.db2.gz GRZBFJPIWPMMNV-IJLUTSLNSA-N 1 2 285.344 0.125 20 5 CCBDLO CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249764 614158214 /nfs/dbraw/zinc/15/82/14/614158214.db2.gz SGXUSWAPAJCLPC-NSHDSACASA-N 1 2 264.285 0.700 20 5 CCBDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249764 614158217 /nfs/dbraw/zinc/15/82/17/614158217.db2.gz SGXUSWAPAJCLPC-NSHDSACASA-N 1 2 264.285 0.700 20 5 CCBDLO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000839690845 614209492 /nfs/dbraw/zinc/20/94/92/614209492.db2.gz HPEOMGAACTUCTB-UPJWGTAASA-N 1 2 298.387 0.040 20 5 CCBDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000880489310 614852184 /nfs/dbraw/zinc/85/21/84/614852184.db2.gz SEUAHKVLMYDASP-WISYIIOYSA-N 1 2 297.355 0.267 20 5 CCBDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839705310 616076638 /nfs/dbraw/zinc/07/66/38/616076638.db2.gz GJBWRIDOCIKFLV-NXEZZACHSA-N 1 2 252.274 0.397 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000913551244 616229698 /nfs/dbraw/zinc/22/96/98/616229698.db2.gz LMMFYRWVDMSHSW-JTQLQIEISA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000913551244 616229699 /nfs/dbraw/zinc/22/96/99/616229699.db2.gz LMMFYRWVDMSHSW-JTQLQIEISA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000931401792 616245115 /nfs/dbraw/zinc/24/51/15/616245115.db2.gz XMGWFTXXRSRMFW-NSHDSACASA-N 1 2 281.312 0.409 20 5 CCBDLO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000931401792 616245116 /nfs/dbraw/zinc/24/51/16/616245116.db2.gz XMGWFTXXRSRMFW-NSHDSACASA-N 1 2 281.312 0.409 20 5 CCBDLO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000928559153 616429586 /nfs/dbraw/zinc/42/95/86/616429586.db2.gz INGXVUGELNCCGY-VIFPVBQESA-N 1 2 265.269 0.734 20 5 CCBDLO C[N@H+]1CC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000928559153 616429588 /nfs/dbraw/zinc/42/95/88/616429588.db2.gz INGXVUGELNCCGY-VIFPVBQESA-N 1 2 265.269 0.734 20 5 CCBDLO COCC[N@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000885981736 617017632 /nfs/dbraw/zinc/01/76/32/617017632.db2.gz MEYUAOPMLHHEHG-UHFFFAOYSA-N 1 2 255.274 0.431 20 5 CCBDLO COCC[N@@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000885981736 617017637 /nfs/dbraw/zinc/01/76/37/617017637.db2.gz MEYUAOPMLHHEHG-UHFFFAOYSA-N 1 2 255.274 0.431 20 5 CCBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H]3CO)n2)c1 ZINC000902629664 634420452 /nfs/dbraw/zinc/42/04/52/634420452.db2.gz HBPYJFOIEUIWKL-GFCCVEGCSA-N 1 2 289.295 0.877 20 5 CCBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H]3CO)n2)c1 ZINC000902629664 634420477 /nfs/dbraw/zinc/42/04/77/634420477.db2.gz HBPYJFOIEUIWKL-GFCCVEGCSA-N 1 2 289.295 0.877 20 5 CCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]1CO ZINC000934024241 625003201 /nfs/dbraw/zinc/00/32/01/625003201.db2.gz BEGIOEWGGHFCPK-SKDRFNHKSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]1CO ZINC000934024241 625003202 /nfs/dbraw/zinc/00/32/02/625003202.db2.gz BEGIOEWGGHFCPK-SKDRFNHKSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]1CO ZINC000934023458 625005935 /nfs/dbraw/zinc/00/59/35/625005935.db2.gz RSTXOHSNBCTIMQ-CABZTGNLSA-N 1 2 279.296 0.988 20 5 CCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]1CO ZINC000934023458 625005936 /nfs/dbraw/zinc/00/59/36/625005936.db2.gz RSTXOHSNBCTIMQ-CABZTGNLSA-N 1 2 279.296 0.988 20 5 CCBDLO O=[N+]([O-])CCn1c2ccccc2[nH+]c1NCCO ZINC000899859673 633906205 /nfs/dbraw/zinc/90/62/05/633906205.db2.gz MCVLRXXDQXXLMP-UHFFFAOYSA-N 1 2 250.258 0.717 20 5 CCBDLO CS(=O)(=O)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000819265837 641394673 /nfs/dbraw/zinc/39/46/73/641394673.db2.gz JKDDXEPIZXYOGD-UHFFFAOYSA-N 1 2 298.324 0.605 20 5 CCBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000857982088 644588384 /nfs/dbraw/zinc/58/83/84/644588384.db2.gz MPQWYJVPMYZUOK-QMMMGPOBSA-N 1 2 289.251 0.767 20 5 CCBDLO C[N@@H+]1CCOC[C@@H]1CNc1cccc([N+](=O)[O-])n1 ZINC001158702424 801686453 /nfs/dbraw/zinc/68/64/53/801686453.db2.gz RBHGLYMILREWNN-VIFPVBQESA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCOC[C@@H]1CNc1cccc([N+](=O)[O-])n1 ZINC001158702424 801686456 /nfs/dbraw/zinc/68/64/56/801686456.db2.gz RBHGLYMILREWNN-VIFPVBQESA-N 1 2 252.274 0.732 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001161950530 802256909 /nfs/dbraw/zinc/25/69/09/802256909.db2.gz VXTDAUHUACTCBD-MRVPVSSYSA-N 1 2 293.283 0.773 20 5 CCBDLO COC(=O)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C[NH2+]1 ZINC001164300142 802712366 /nfs/dbraw/zinc/71/23/66/802712366.db2.gz ILDMYKNROYHAQH-CBAPKCEASA-N 1 2 266.257 0.305 20 5 CCBDLO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491191 805135937 /nfs/dbraw/zinc/13/59/37/805135937.db2.gz NGDZZVUSOMQZAA-SNVBAGLBSA-O 1 2 299.303 0.663 20 5 CCBDLO C[N@@H+]1CCO[C@H](COc2ncccc2[N+](=O)[O-])C1 ZINC001225596842 805142999 /nfs/dbraw/zinc/14/29/99/805142999.db2.gz RNPGANGTBXHVQH-VIFPVBQESA-N 1 2 253.258 0.699 20 5 CCBDLO C[N@H+]1CCO[C@H](COc2ncccc2[N+](=O)[O-])C1 ZINC001225596842 805143002 /nfs/dbraw/zinc/14/30/02/805143002.db2.gz RNPGANGTBXHVQH-VIFPVBQESA-N 1 2 253.258 0.699 20 5 CCBDLO C[C@@H]1C(=O)NCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597571 808265386 /nfs/dbraw/zinc/26/53/86/808265386.db2.gz FKQJOLRFYWAAAY-NOZJJQNGSA-N 1 2 275.308 0.882 20 5 CCBDLO C[C@@H]1C(=O)NCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597571 808265391 /nfs/dbraw/zinc/26/53/91/808265391.db2.gz FKQJOLRFYWAAAY-NOZJJQNGSA-N 1 2 275.308 0.882 20 5 CCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001261783746 809088812 /nfs/dbraw/zinc/08/88/12/809088812.db2.gz VWQBQQNIRFHVFP-SSDOTTSWSA-N 1 2 276.256 0.400 20 5 CCBDLO CCOC(=O)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])c(C)c1C ZINC001161950380 818531254 /nfs/dbraw/zinc/53/12/54/818531254.db2.gz NVRCYNZZQLXNSE-SECBINFHSA-N 1 2 282.300 0.909 20 5 CCBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1C[N@H+](C)CCO1 ZINC001155196415 822088273 /nfs/dbraw/zinc/08/82/73/822088273.db2.gz ASDUCFZZNCMERR-SNVBAGLBSA-N 1 2 282.300 0.279 20 5 CCBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001155196415 822088283 /nfs/dbraw/zinc/08/82/83/822088283.db2.gz ASDUCFZZNCMERR-SNVBAGLBSA-N 1 2 282.300 0.279 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001155195823 822089224 /nfs/dbraw/zinc/08/92/24/822089224.db2.gz DIFCJVVUKQIRSE-QMMMGPOBSA-N 1 2 267.289 0.315 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001155195823 822089231 /nfs/dbraw/zinc/08/92/31/822089231.db2.gz DIFCJVVUKQIRSE-QMMMGPOBSA-N 1 2 267.289 0.315 20 5 CCBDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[NH2+]1 ZINC001169123483 836139185 /nfs/dbraw/zinc/13/91/85/836139185.db2.gz ILDMYKNROYHAQH-APPZFPTMSA-N 1 2 266.257 0.305 20 5 CCBDLO CC(C)OCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112836075 836936812 /nfs/dbraw/zinc/93/68/12/836936812.db2.gz ZHTPJENJWRHUOO-CHWSQXEVSA-N 1 2 299.371 0.611 20 5 CCBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001331701620 904007309 /nfs/dbraw/zinc/00/73/09/904007309.db2.gz JMNPYNCSEJFBBS-GHMZBOCLSA-N 1 2 267.285 0.165 20 5 CCBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001331701620 904007325 /nfs/dbraw/zinc/00/73/25/904007325.db2.gz JMNPYNCSEJFBBS-GHMZBOCLSA-N 1 2 267.285 0.165 20 5 CCBDLO O=C(NCc1c[nH+]c2n1CCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC001303551170 908095426 /nfs/dbraw/zinc/09/54/26/908095426.db2.gz MCYXDDVMGPSAOO-UHFFFAOYSA-N 1 2 276.256 0.391 20 5 CCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001351288044 925397866 /nfs/dbraw/zinc/39/78/66/925397866.db2.gz NAZRRTHNFYRNAN-SECBINFHSA-N 1 2 290.283 0.557 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599643129 361769098 /nfs/dbraw/zinc/76/90/98/361769098.db2.gz QTFROLXBUISLPI-LBPRGKRZSA-N 1 2 299.302 0.817 20 5 CCBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000599643129 361769101 /nfs/dbraw/zinc/76/91/01/361769101.db2.gz QTFROLXBUISLPI-LBPRGKRZSA-N 1 2 299.302 0.817 20 5 CCBDLO CCc1c[nH+]ccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000358275986 529502361 /nfs/dbraw/zinc/50/23/61/529502361.db2.gz XLOKZWSZDYKWPY-UHFFFAOYSA-N 1 2 276.256 0.204 20 5 CCBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602454592 362626114 /nfs/dbraw/zinc/62/61/14/362626114.db2.gz NXLVHTAGFAMRGT-VIFPVBQESA-N 1 2 267.289 0.039 20 5 CCBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602454592 362626118 /nfs/dbraw/zinc/62/61/18/362626118.db2.gz NXLVHTAGFAMRGT-VIFPVBQESA-N 1 2 267.289 0.039 20 5 CCBDLO Cn1cc(C[N@@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])n1 ZINC000602487143 362640816 /nfs/dbraw/zinc/64/08/16/362640816.db2.gz UKWOZLHBLUALCJ-JTQLQIEISA-N 1 2 286.357 0.628 20 5 CCBDLO Cn1cc(C[N@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])n1 ZINC000602487143 362640819 /nfs/dbraw/zinc/64/08/19/362640819.db2.gz UKWOZLHBLUALCJ-JTQLQIEISA-N 1 2 286.357 0.628 20 5 CCBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800548 362808154 /nfs/dbraw/zinc/80/81/54/362808154.db2.gz AKRZGZKLKBKYMO-ASCAZGACSA-N 1 2 274.346 0.527 20 5 CCBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800548 362808158 /nfs/dbraw/zinc/80/81/58/362808158.db2.gz AKRZGZKLKBKYMO-ASCAZGACSA-N 1 2 274.346 0.527 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000602801391 362808174 /nfs/dbraw/zinc/80/81/74/362808174.db2.gz SKGHNLNHYFJTDQ-NSHDSACASA-N 1 2 293.327 0.406 20 5 CCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000602801391 362808178 /nfs/dbraw/zinc/80/81/78/362808178.db2.gz SKGHNLNHYFJTDQ-NSHDSACASA-N 1 2 293.327 0.406 20 5 CCBDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820036 362818330 /nfs/dbraw/zinc/81/83/30/362818330.db2.gz GGOPXTYDHUJRSJ-KOLCDFICSA-N 1 2 284.316 0.300 20 5 CCBDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820036 362818337 /nfs/dbraw/zinc/81/83/37/362818337.db2.gz GGOPXTYDHUJRSJ-KOLCDFICSA-N 1 2 284.316 0.300 20 5 CCBDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820039 362819042 /nfs/dbraw/zinc/81/90/42/362819042.db2.gz GGOPXTYDHUJRSJ-ONGXEEELSA-N 1 2 284.316 0.300 20 5 CCBDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820039 362819045 /nfs/dbraw/zinc/81/90/45/362819045.db2.gz GGOPXTYDHUJRSJ-ONGXEEELSA-N 1 2 284.316 0.300 20 5 CCBDLO CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000029529333 348112922 /nfs/dbraw/zinc/11/29/22/348112922.db2.gz QCOVBARGFYQZSA-UHFFFAOYSA-N 1 2 293.327 0.248 20 5 CCBDLO Cc1ccn(CC[N@H+]2CCOC[C@H]2C)c(=O)c1[N+](=O)[O-] ZINC000347685279 137350140 /nfs/dbraw/zinc/35/01/40/137350140.db2.gz KYCMYPWIMTZYSN-LLVKDONJSA-N 1 2 281.312 0.786 20 5 CCBDLO Cc1ccn(CC[N@@H+]2CCOC[C@H]2C)c(=O)c1[N+](=O)[O-] ZINC000347685279 137350141 /nfs/dbraw/zinc/35/01/41/137350141.db2.gz KYCMYPWIMTZYSN-LLVKDONJSA-N 1 2 281.312 0.786 20 5 CCBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051129986 348485475 /nfs/dbraw/zinc/48/54/75/348485475.db2.gz KYSCTJYAKUNFBA-CABZTGNLSA-N 1 2 279.296 0.842 20 5 CCBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051129986 348485478 /nfs/dbraw/zinc/48/54/78/348485478.db2.gz KYSCTJYAKUNFBA-CABZTGNLSA-N 1 2 279.296 0.842 20 5 CCBDLO CNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000076511747 349086081 /nfs/dbraw/zinc/08/60/81/349086081.db2.gz GWRZJALZYNXBDK-UHFFFAOYSA-N 1 2 292.339 0.771 20 5 CCBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000076748459 349091278 /nfs/dbraw/zinc/09/12/78/349091278.db2.gz QEJHLYXQUBDMHT-UHFFFAOYSA-N 1 2 293.327 0.566 20 5 CCBDLO Cc1c(C[NH+]2CCN(C(=O)CO)CC2)cccc1[N+](=O)[O-] ZINC000089423360 349385977 /nfs/dbraw/zinc/38/59/77/349385977.db2.gz LIOFMMDLERMGQA-UHFFFAOYSA-N 1 2 293.323 0.540 20 5 CCBDLO CCS(=O)(=O)CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000128577990 350195626 /nfs/dbraw/zinc/19/56/26/350195626.db2.gz TWRZBVHKGGTTLC-UHFFFAOYSA-N 1 2 290.345 0.158 20 5 CCBDLO CCS(=O)(=O)CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000128577990 350195631 /nfs/dbraw/zinc/19/56/31/350195631.db2.gz TWRZBVHKGGTTLC-UHFFFAOYSA-N 1 2 290.345 0.158 20 5 CCBDLO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603085797 362955007 /nfs/dbraw/zinc/95/50/07/362955007.db2.gz CCTDMCLUZJSLMZ-ZANVPECISA-N 1 2 277.280 0.600 20 5 CCBDLO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000603085797 362955009 /nfs/dbraw/zinc/95/50/09/362955009.db2.gz CCTDMCLUZJSLMZ-ZANVPECISA-N 1 2 277.280 0.600 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000154854195 350602115 /nfs/dbraw/zinc/60/21/15/350602115.db2.gz GYLJFMWRMBAWAX-APPZFPTMSA-N 1 2 282.304 0.098 20 5 CCBDLO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000154854195 350602117 /nfs/dbraw/zinc/60/21/17/350602117.db2.gz GYLJFMWRMBAWAX-APPZFPTMSA-N 1 2 282.304 0.098 20 5 CCBDLO COC(=O)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176199863 351160498 /nfs/dbraw/zinc/16/04/98/351160498.db2.gz GYZUCJOIIFQDHY-SNVBAGLBSA-N 1 2 282.300 0.819 20 5 CCBDLO COC(=O)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176199863 351160500 /nfs/dbraw/zinc/16/05/00/351160500.db2.gz GYZUCJOIIFQDHY-SNVBAGLBSA-N 1 2 282.300 0.819 20 5 CCBDLO O=C1OCC[C@]12CCC[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000186688648 351507586 /nfs/dbraw/zinc/50/75/86/351507586.db2.gz WYOJRPDVSUSZSD-GFCCVEGCSA-N 1 2 280.284 0.573 20 5 CCBDLO O=C1OCC[C@]12CCC[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000186688648 351507590 /nfs/dbraw/zinc/50/75/90/351507590.db2.gz WYOJRPDVSUSZSD-GFCCVEGCSA-N 1 2 280.284 0.573 20 5 CCBDLO C[C@@H](C[NH+](C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316234 351945812 /nfs/dbraw/zinc/94/58/12/351945812.db2.gz ZDXTUQXVJNOYDM-QMMMGPOBSA-N 1 2 267.285 0.980 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000271468819 191156005 /nfs/dbraw/zinc/15/60/05/191156005.db2.gz SETHZCVDDRHFRI-UHFFFAOYSA-N 1 2 293.327 0.532 20 5 CCBDLO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCNC(=O)C1 ZINC000271468819 191156007 /nfs/dbraw/zinc/15/60/07/191156007.db2.gz SETHZCVDDRHFRI-UHFFFAOYSA-N 1 2 293.327 0.532 20 5 CCBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000246604068 352375608 /nfs/dbraw/zinc/37/56/08/352375608.db2.gz GHXPDNRTAHLPME-VHSXEESVSA-N 1 2 254.290 0.901 20 5 CCBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000246604068 352375611 /nfs/dbraw/zinc/37/56/11/352375611.db2.gz GHXPDNRTAHLPME-VHSXEESVSA-N 1 2 254.290 0.901 20 5 CCBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000271605435 191237333 /nfs/dbraw/zinc/23/73/33/191237333.db2.gz JGBVLPPMZYUZBP-ZETCQYMHSA-N 1 2 263.261 0.664 20 5 CCBDLO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000275208028 353195344 /nfs/dbraw/zinc/19/53/44/353195344.db2.gz JCUBSSSNRYBHIK-KOLCDFICSA-N 1 2 282.300 0.063 20 5 CCBDLO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000275208028 353195348 /nfs/dbraw/zinc/19/53/48/353195348.db2.gz JCUBSSSNRYBHIK-KOLCDFICSA-N 1 2 282.300 0.063 20 5 CCBDLO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@]1=O ZINC000277345021 353238452 /nfs/dbraw/zinc/23/84/52/353238452.db2.gz WHZBHDLWOSNQMH-GIGQVBGESA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[S@]1=O ZINC000277345021 353238453 /nfs/dbraw/zinc/23/84/53/353238453.db2.gz WHZBHDLWOSNQMH-GIGQVBGESA-N 1 2 286.357 0.634 20 5 CCBDLO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000157308080 188309081 /nfs/dbraw/zinc/30/90/81/188309081.db2.gz BWCDOBLQHCEGIC-UWVGGRQHSA-N 1 2 254.290 0.901 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1F ZINC000295720082 353914371 /nfs/dbraw/zinc/91/43/71/353914371.db2.gz VFLVZHBXPWNROW-SNVBAGLBSA-N 1 2 270.260 0.927 20 5 CCBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H](O)C2)cc1F ZINC000295720082 353914373 /nfs/dbraw/zinc/91/43/73/353914373.db2.gz VFLVZHBXPWNROW-SNVBAGLBSA-N 1 2 270.260 0.927 20 5 CCBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000424191521 235174541 /nfs/dbraw/zinc/17/45/41/235174541.db2.gz NSWHUEVEQDHYAH-LURJTMIESA-N 1 2 289.242 0.293 20 5 CCBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000424191521 235174546 /nfs/dbraw/zinc/17/45/46/235174546.db2.gz NSWHUEVEQDHYAH-LURJTMIESA-N 1 2 289.242 0.293 20 5 CCBDLO C[C@@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1ccccc1[N+](=O)[O-] ZINC000271795105 191332733 /nfs/dbraw/zinc/33/27/33/191332733.db2.gz VMOGMCFQUOYKIQ-SSDOTTSWSA-N 1 2 263.257 0.857 20 5 CCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356149857 356711665 /nfs/dbraw/zinc/71/16/65/356711665.db2.gz MSTQUXVHVUDAHV-MRVPVSSYSA-N 1 2 278.272 0.343 20 5 CCBDLO Cc1nc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)ncc1[N+](=O)[O-] ZINC000450315079 236079840 /nfs/dbraw/zinc/07/98/40/236079840.db2.gz DEEIRHBRYRPZAW-LLVKDONJSA-N 1 2 293.327 0.390 20 5 CCBDLO Cc1nc(NC[C@@H]2C[N@H+](C3CC3)CCO2)ncc1[N+](=O)[O-] ZINC000450315079 236079842 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CCBDLO CC(C)NC(=O)[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853602425 613937014 /nfs/dbraw/zinc/93/70/14/613937014.db2.gz IJWOYOKEHSTJNN-NSHDSACASA-N 1 2 295.343 0.985 20 5 CCBDLO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853602425 613937018 /nfs/dbraw/zinc/93/70/18/613937018.db2.gz IJWOYOKEHSTJNN-NSHDSACASA-N 1 2 295.343 0.985 20 5 CCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCCn2cc([N+](=O)[O-])cn2)C1 ZINC000805473202 615185860 /nfs/dbraw/zinc/18/58/60/615185860.db2.gz STAPTELSAYZTPL-NSHDSACASA-N 1 2 298.299 0.055 20 5 CCBDLO CC[N@H+]1CCO[C@H](C(=O)OCCn2cc([N+](=O)[O-])cn2)C1 ZINC000805473202 615185861 /nfs/dbraw/zinc/18/58/61/615185861.db2.gz STAPTELSAYZTPL-NSHDSACASA-N 1 2 298.299 0.055 20 5 CCBDLO CC[C@H]1COCC[N@@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000872772415 615929925 /nfs/dbraw/zinc/92/99/25/615929925.db2.gz UFVLSOWSMIAQFM-JTQLQIEISA-N 1 2 283.332 0.851 20 5 CCBDLO CC[C@H]1COCC[N@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000872772415 615929927 /nfs/dbraw/zinc/92/99/27/615929927.db2.gz UFVLSOWSMIAQFM-JTQLQIEISA-N 1 2 283.332 0.851 20 5 CCBDLO CC[C@H]1COCC[N@@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000895088713 615930216 /nfs/dbraw/zinc/93/02/16/615930216.db2.gz RORJEHPNRPHBCZ-JTQLQIEISA-N 1 2 283.332 0.851 20 5 CCBDLO CC[C@H]1COCC[N@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000895088713 615930218 /nfs/dbraw/zinc/93/02/18/615930218.db2.gz RORJEHPNRPHBCZ-JTQLQIEISA-N 1 2 283.332 0.851 20 5 CCBDLO CCc1n[nH]c(C(=O)N[C@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857985241 616031078 /nfs/dbraw/zinc/03/10/78/616031078.db2.gz NVQDIZAFDNWQOL-QMMMGPOBSA-N 1 2 290.283 0.952 20 5 CCBDLO C[N@H+](CCOCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886190606 616117891 /nfs/dbraw/zinc/11/78/91/616117891.db2.gz XQQREBLOJLYUSQ-UHFFFAOYSA-N 1 2 255.274 0.431 20 5 CCBDLO C[N@@H+](CCOCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886190606 616117893 /nfs/dbraw/zinc/11/78/93/616117893.db2.gz XQQREBLOJLYUSQ-UHFFFAOYSA-N 1 2 255.274 0.431 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000913548254 616229783 /nfs/dbraw/zinc/22/97/83/616229783.db2.gz ISSHGPSCYRXRRR-GFCCVEGCSA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000913548254 616229784 /nfs/dbraw/zinc/22/97/84/616229784.db2.gz ISSHGPSCYRXRRR-GFCCVEGCSA-N 1 2 297.286 0.482 20 5 CCBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000157056954 624838943 /nfs/dbraw/zinc/83/89/43/624838943.db2.gz UXXLAHZVCSYMLW-UHFFFAOYSA-N 1 2 291.315 0.753 20 5 CCBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H]3CO)n2)cc1 ZINC000902630900 634419841 /nfs/dbraw/zinc/41/98/41/634419841.db2.gz RZZXQVFVMNGETL-GFCCVEGCSA-N 1 2 289.295 0.877 20 5 CCBDLO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H]3CO)n2)cc1 ZINC000902630900 634419843 /nfs/dbraw/zinc/41/98/43/634419843.db2.gz RZZXQVFVMNGETL-GFCCVEGCSA-N 1 2 289.295 0.877 20 5 CCBDLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000178778796 631543452 /nfs/dbraw/zinc/54/34/52/631543452.db2.gz DEFOKDPIQUOWMR-SECBINFHSA-N 1 2 268.273 0.776 20 5 CCBDLO COC(=O)C[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000178778796 631543462 /nfs/dbraw/zinc/54/34/62/631543462.db2.gz DEFOKDPIQUOWMR-SECBINFHSA-N 1 2 268.273 0.776 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)n1 ZINC000898494747 633611029 /nfs/dbraw/zinc/61/10/29/633611029.db2.gz GJSMHMRRFBBSBX-VIFPVBQESA-N 1 2 299.306 0.492 20 5 CCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)n1 ZINC000898494747 633611032 /nfs/dbraw/zinc/61/10/32/633611032.db2.gz GJSMHMRRFBBSBX-VIFPVBQESA-N 1 2 299.306 0.492 20 5 CCBDLO Nc1nccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857980244 644588410 /nfs/dbraw/zinc/58/84/10/644588410.db2.gz VMXPYZAKTACHEE-MRVPVSSYSA-N 1 2 288.267 0.643 20 5 CCBDLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CCO1 ZINC000932335056 649066823 /nfs/dbraw/zinc/06/68/23/649066823.db2.gz FVGMFBOPXXRFMB-SECBINFHSA-N 1 2 254.290 0.939 20 5 CCBDLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CCO1 ZINC000932335056 649066827 /nfs/dbraw/zinc/06/68/27/649066827.db2.gz FVGMFBOPXXRFMB-SECBINFHSA-N 1 2 254.290 0.939 20 5 CCBDLO C[N@@H+]1CCO[C@@H](CNc2cccc([N+](=O)[O-])n2)C1 ZINC001155194119 800927344 /nfs/dbraw/zinc/92/73/44/800927344.db2.gz OVGYWVFSZRUYPZ-VIFPVBQESA-N 1 2 252.274 0.732 20 5 CCBDLO C[N@H+]1CCO[C@@H](CNc2cccc([N+](=O)[O-])n2)C1 ZINC001155194119 800927349 /nfs/dbraw/zinc/92/73/49/800927349.db2.gz OVGYWVFSZRUYPZ-VIFPVBQESA-N 1 2 252.274 0.732 20 5 CCBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC001161557276 802180932 /nfs/dbraw/zinc/18/09/32/802180932.db2.gz SUCYMPULHVQHKY-MRVPVSSYSA-N 1 2 285.279 0.482 20 5 CCBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC001161557276 802180936 /nfs/dbraw/zinc/18/09/36/802180936.db2.gz SUCYMPULHVQHKY-MRVPVSSYSA-N 1 2 285.279 0.482 20 5 CCBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc[n+]([O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001229452250 805536541 /nfs/dbraw/zinc/53/65/41/805536541.db2.gz NZANPKUVVCUXHM-IYYTYJHQSA-N 1 2 293.279 0.411 20 5 CCBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc[n+]([O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001229452250 805536547 /nfs/dbraw/zinc/53/65/47/805536547.db2.gz NZANPKUVVCUXHM-IYYTYJHQSA-N 1 2 293.279 0.411 20 5 CCBDLO Cc1noc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001261640061 809040555 /nfs/dbraw/zinc/04/05/55/809040555.db2.gz VTPRHJBIMVCHCD-RKDXNWHRSA-N 1 2 271.273 0.066 20 5 CCBDLO Cc1noc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001261640061 809040563 /nfs/dbraw/zinc/04/05/63/809040563.db2.gz VTPRHJBIMVCHCD-RKDXNWHRSA-N 1 2 271.273 0.066 20 5 CCBDLO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001155197709 822087089 /nfs/dbraw/zinc/08/70/89/822087089.db2.gz WKRSLKHOKUEEOJ-SECBINFHSA-N 1 2 297.315 0.444 20 5 CCBDLO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001155197709 822087098 /nfs/dbraw/zinc/08/70/98/822087098.db2.gz WKRSLKHOKUEEOJ-SECBINFHSA-N 1 2 297.315 0.444 20 5 CCBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCNC(=O)C1 ZINC001173229859 842023251 /nfs/dbraw/zinc/02/32/51/842023251.db2.gz VWKIYRFTBWBSGR-SNVBAGLBSA-N 1 2 263.297 0.958 20 5 CCBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCNC(=O)C1 ZINC001173229859 842023263 /nfs/dbraw/zinc/02/32/63/842023263.db2.gz VWKIYRFTBWBSGR-SNVBAGLBSA-N 1 2 263.297 0.958 20 5 CCBDLO CNC(=O)NC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001195155064 846475398 /nfs/dbraw/zinc/47/53/98/846475398.db2.gz LIYYOHCIYCIQHP-UHFFFAOYSA-N 1 2 296.331 0.222 20 5 CCBDLO Cn1cc[nH+]c1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001347514336 924468798 /nfs/dbraw/zinc/46/87/98/924468798.db2.gz KGUXRJCBFUKXGI-UHFFFAOYSA-N 1 2 263.257 0.629 20 5 CCBDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001449970365 931214293 /nfs/dbraw/zinc/21/42/93/931214293.db2.gz WOTXNQFCQVQRLT-YFKPBYRVSA-N 1 2 296.674 0.523 20 5 CCBDLO Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000600423532 361958116 /nfs/dbraw/zinc/95/81/16/361958116.db2.gz DSGAFFAAQDGQTP-GFCCVEGCSA-N 1 2 293.323 0.964 20 5 CCBDLO Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600423532 361958119 /nfs/dbraw/zinc/95/81/19/361958119.db2.gz DSGAFFAAQDGQTP-GFCCVEGCSA-N 1 2 293.323 0.964 20 5 CCBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000600425823 361958318 /nfs/dbraw/zinc/95/83/18/361958318.db2.gz PAKAEVQRRWAVIP-SNVBAGLBSA-N 1 2 279.296 0.655 20 5 CCBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000600425823 361958322 /nfs/dbraw/zinc/95/83/22/361958322.db2.gz PAKAEVQRRWAVIP-SNVBAGLBSA-N 1 2 279.296 0.655 20 5 CCBDLO CC(C)C(=O)NCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602492226 362642178 /nfs/dbraw/zinc/64/21/78/362642178.db2.gz DSESQDUCFDNRGY-UHFFFAOYSA-N 1 2 283.332 0.532 20 5 CCBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602492226 362642182 /nfs/dbraw/zinc/64/21/82/362642182.db2.gz DSESQDUCFDNRGY-UHFFFAOYSA-N 1 2 283.332 0.532 20 5 CCBDLO Cn1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])n1 ZINC000602635083 362723735 /nfs/dbraw/zinc/72/37/35/362723735.db2.gz SCAQIRZJINFSEP-NSHDSACASA-N 1 2 293.327 0.525 20 5 CCBDLO Cn1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])n1 ZINC000602635083 362723742 /nfs/dbraw/zinc/72/37/42/362723742.db2.gz SCAQIRZJINFSEP-NSHDSACASA-N 1 2 293.327 0.525 20 5 CCBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CCO2 ZINC000602648918 362731462 /nfs/dbraw/zinc/73/14/62/362731462.db2.gz PPJBAOVEYBIHIV-GWCFXTLKSA-N 1 2 296.327 0.708 20 5 CCBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CCO2 ZINC000602648918 362731465 /nfs/dbraw/zinc/73/14/65/362731465.db2.gz PPJBAOVEYBIHIV-GWCFXTLKSA-N 1 2 296.327 0.708 20 5 CCBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccn(C)n1 ZINC000602840532 362829932 /nfs/dbraw/zinc/82/99/32/362829932.db2.gz MKVXYCUBLDATIW-MRVPVSSYSA-N 1 2 264.289 0.913 20 5 CCBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316606 136951738 /nfs/dbraw/zinc/95/17/38/136951738.db2.gz RQVIQNFSFSFJTQ-UHFFFAOYSA-N 1 2 276.252 0.996 20 5 CCBDLO CNC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743868 348387635 /nfs/dbraw/zinc/38/76/35/348387635.db2.gz RQXMIHLKUKHSMK-UHFFFAOYSA-N 1 2 278.312 0.463 20 5 CCBDLO CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187564228 351547343 /nfs/dbraw/zinc/54/73/43/351547343.db2.gz PGJNVBIVSMIISF-UHFFFAOYSA-N 1 2 297.311 0.344 20 5 CCBDLO COc1cc([N+](=O)[O-])cn(Cc2c[nH+]cn2C)c1=O ZINC000603359099 363086768 /nfs/dbraw/zinc/08/67/68/363086768.db2.gz NGBYLVWYPOKONS-UHFFFAOYSA-N 1 2 264.241 0.547 20 5 CCBDLO COC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000123813086 187109501 /nfs/dbraw/zinc/10/95/01/187109501.db2.gz YEFIEOPMPPASBC-MWLCHTKSSA-N 1 2 298.299 0.054 20 5 CCBDLO COC(=O)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000123813086 187109502 /nfs/dbraw/zinc/10/95/02/187109502.db2.gz YEFIEOPMPPASBC-MWLCHTKSSA-N 1 2 298.299 0.054 20 5 CCBDLO Cn1c[nH+]cc1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000542481137 290950586 /nfs/dbraw/zinc/95/05/86/290950586.db2.gz QXAGMAOGYFGBGF-UHFFFAOYSA-N 1 2 292.299 0.274 20 5 CCBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000248392540 352437708 /nfs/dbraw/zinc/43/77/08/352437708.db2.gz KRFLIMSFUVZUDP-WDEREUQCSA-N 1 2 270.260 0.661 20 5 CCBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248392540 352437710 /nfs/dbraw/zinc/43/77/10/352437710.db2.gz KRFLIMSFUVZUDP-WDEREUQCSA-N 1 2 270.260 0.661 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000265107546 352619947 /nfs/dbraw/zinc/61/99/47/352619947.db2.gz BEMSSPORQZIULM-LLVKDONJSA-N 1 2 279.296 0.908 20 5 CCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000265107546 352619949 /nfs/dbraw/zinc/61/99/49/352619949.db2.gz BEMSSPORQZIULM-LLVKDONJSA-N 1 2 279.296 0.908 20 5 CCBDLO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O ZINC000275208021 353195439 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CC[C@@H](C(N)=O)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000171074518 276518369 /nfs/dbraw/zinc/51/83/69/276518369.db2.gz GKTRZYVCQIWKDL-NSHDSACASA-N 1 2 292.339 0.981 20 5 CCBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050697262 276922045 /nfs/dbraw/zinc/92/20/45/276922045.db2.gz CBPPJKJMMYLPAX-UHFFFAOYSA-N 1 2 264.285 0.565 20 5 CCBDLO CC[C@H]1C[N@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCO1 ZINC000428067248 529294735 /nfs/dbraw/zinc/29/47/35/529294735.db2.gz RUNBKSGHSFIZPI-VIFPVBQESA-N 1 2 297.315 0.159 20 5 CCBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCO1 ZINC000428067248 529294739 /nfs/dbraw/zinc/29/47/39/529294739.db2.gz RUNBKSGHSFIZPI-VIFPVBQESA-N 1 2 297.315 0.159 20 5 CCBDLO CC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191701478 535387031 /nfs/dbraw/zinc/38/70/31/535387031.db2.gz MMLWRFXTSWWWGT-UHFFFAOYSA-N 1 2 295.295 0.769 20 5 CCBDLO CC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191701478 535387034 /nfs/dbraw/zinc/38/70/34/535387034.db2.gz MMLWRFXTSWWWGT-UHFFFAOYSA-N 1 2 295.295 0.769 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cn1cc([N+](=O)[O-])cn1 ZINC000788377927 581109270 /nfs/dbraw/zinc/10/92/70/581109270.db2.gz MTJOEJCLXKOQIX-LLVKDONJSA-N 1 2 283.332 0.401 20 5 CCBDLO C[C@H](CN1CCOCC1)[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000788377927 581109272 /nfs/dbraw/zinc/10/92/72/581109272.db2.gz MTJOEJCLXKOQIX-LLVKDONJSA-N 1 2 283.332 0.401 20 5 CCBDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000788377927 581109273 /nfs/dbraw/zinc/10/92/73/581109273.db2.gz MTJOEJCLXKOQIX-LLVKDONJSA-N 1 2 283.332 0.401 20 5 CCBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000784922539 581399154 /nfs/dbraw/zinc/39/91/54/581399154.db2.gz VJQRPHOVMGHLHK-VIFPVBQESA-N 1 2 298.299 0.206 20 5 CCBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000784922538 581399178 /nfs/dbraw/zinc/39/91/78/581399178.db2.gz VJQRPHOVMGHLHK-SECBINFHSA-N 1 2 298.299 0.206 20 5 CCBDLO C[S@@](=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000741747536 581761293 /nfs/dbraw/zinc/76/12/93/581761293.db2.gz AHNGQANITSXJFY-HXUWFJFHSA-N 1 2 298.368 0.490 20 5 CCBDLO COC1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000759048445 581781245 /nfs/dbraw/zinc/78/12/45/581781245.db2.gz GQQCFYPEHLJJKQ-GFCCVEGCSA-N 1 2 252.270 0.959 20 5 CCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)OCCn1cc[nH+]c1 ZINC000771939567 581835435 /nfs/dbraw/zinc/83/54/35/581835435.db2.gz MRGWIZKTSCMVKF-UHFFFAOYSA-N 1 2 279.256 0.621 20 5 CCBDLO CC(C)C1(O)C[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000773894329 581946082 /nfs/dbraw/zinc/94/60/82/581946082.db2.gz KSXVQNIQTDYDCD-UHFFFAOYSA-N 1 2 254.290 0.494 20 5 CCBDLO Cc1cccc(NCCNC(=O)c2n[nH]cc2[N+](=O)[O-])[nH+]1 ZINC000764303346 582041806 /nfs/dbraw/zinc/04/18/06/582041806.db2.gz UIWHIKJQQLXYAJ-UHFFFAOYSA-N 1 2 290.283 0.863 20 5 CCBDLO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000764402863 582045126 /nfs/dbraw/zinc/04/51/26/582045126.db2.gz RJDJRIPVGNEVIU-ZETCQYMHSA-N 1 2 253.262 0.094 20 5 CCBDLO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1C ZINC000764402863 582045127 /nfs/dbraw/zinc/04/51/27/582045127.db2.gz RJDJRIPVGNEVIU-ZETCQYMHSA-N 1 2 253.262 0.094 20 5 CCBDLO C[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000913558456 616229323 /nfs/dbraw/zinc/22/93/23/616229323.db2.gz OYUMHYPTRHZMGB-VIFPVBQESA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000913558456 616229324 /nfs/dbraw/zinc/22/93/24/616229324.db2.gz OYUMHYPTRHZMGB-VIFPVBQESA-N 1 2 297.286 0.482 20 5 CCBDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000921414773 616303701 /nfs/dbraw/zinc/30/37/01/616303701.db2.gz WTQUYRLJEXEJRK-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000921414773 616303703 /nfs/dbraw/zinc/30/37/03/616303703.db2.gz WTQUYRLJEXEJRK-LLVKDONJSA-N 1 2 299.352 0.718 20 5 CCBDLO COCCOC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000116868997 616523499 /nfs/dbraw/zinc/52/34/99/616523499.db2.gz GCWRLUOFIDOMAG-UHFFFAOYSA-N 1 2 284.316 0.876 20 5 CCBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000886215040 616526384 /nfs/dbraw/zinc/52/63/84/616526384.db2.gz CESFYGOUMIQLQC-URLYPYJESA-N 1 2 277.280 0.841 20 5 CCBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000886215040 616526387 /nfs/dbraw/zinc/52/63/87/616526387.db2.gz CESFYGOUMIQLQC-URLYPYJESA-N 1 2 277.280 0.841 20 5 CCBDLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000178774636 622861299 /nfs/dbraw/zinc/86/12/99/622861299.db2.gz ICQLLQGOODOGQA-SECBINFHSA-N 1 2 268.273 0.776 20 5 CCBDLO COC(=O)C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000178774636 622861303 /nfs/dbraw/zinc/86/13/03/622861303.db2.gz ICQLLQGOODOGQA-SECBINFHSA-N 1 2 268.273 0.776 20 5 CCBDLO C[C@@H]1C[N@H+](CCNc2c([N+](=O)[O-])cnn2C)[C@@H](C)CO1 ZINC000894521988 631784882 /nfs/dbraw/zinc/78/48/82/631784882.db2.gz XNIDGDMNWRNAAE-VHSXEESVSA-N 1 2 283.332 0.849 20 5 CCBDLO C[C@@H]1C[N@@H+](CCNc2c([N+](=O)[O-])cnn2C)[C@@H](C)CO1 ZINC000894521988 631784891 /nfs/dbraw/zinc/78/48/91/631784891.db2.gz XNIDGDMNWRNAAE-VHSXEESVSA-N 1 2 283.332 0.849 20 5 CCBDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000067382268 631912107 /nfs/dbraw/zinc/91/21/07/631912107.db2.gz NOEYGWPFPKELJZ-LLVKDONJSA-N 1 2 281.316 0.597 20 5 CCBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000067382268 631912114 /nfs/dbraw/zinc/91/21/14/631912114.db2.gz NOEYGWPFPKELJZ-LLVKDONJSA-N 1 2 281.316 0.597 20 5 CCBDLO C[C@H](COC(=O)C[N@H+](C)[C@H]1CCSC1)[N+](=O)[O-] ZINC000813109734 641023302 /nfs/dbraw/zinc/02/33/02/641023302.db2.gz VVVQLNGCPIBAJU-BDAKNGLRSA-N 1 2 262.331 0.632 20 5 CCBDLO C[C@H](COC(=O)C[N@@H+](C)[C@H]1CCSC1)[N+](=O)[O-] ZINC000813109734 641023310 /nfs/dbraw/zinc/02/33/10/641023310.db2.gz VVVQLNGCPIBAJU-BDAKNGLRSA-N 1 2 262.331 0.632 20 5 CCBDLO O=C1OC[C@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000860166500 644778821 /nfs/dbraw/zinc/77/88/21/644778821.db2.gz LSEHVXMSULDUON-MWLCHTKSSA-N 1 2 278.264 0.905 20 5 CCBDLO O=C1OC[C@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000860166500 644778826 /nfs/dbraw/zinc/77/88/26/644778826.db2.gz LSEHVXMSULDUON-MWLCHTKSSA-N 1 2 278.264 0.905 20 5 CCBDLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1C ZINC001157770899 801479257 /nfs/dbraw/zinc/47/92/57/801479257.db2.gz VCGZKNPKIJTLQA-NSHDSACASA-N 1 2 294.311 0.592 20 5 CCBDLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1C ZINC001157770899 801479261 /nfs/dbraw/zinc/47/92/61/801479261.db2.gz VCGZKNPKIJTLQA-NSHDSACASA-N 1 2 294.311 0.592 20 5 CCBDLO Nc1cc(Nc2nccnc2C[NH3+])ncc1[N+](=O)[O-] ZINC001160246139 801922935 /nfs/dbraw/zinc/92/29/35/801922935.db2.gz VHNPHLAKTNECJU-UHFFFAOYSA-N 1 2 261.245 0.564 20 5 CCBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001168760192 819627248 /nfs/dbraw/zinc/62/72/48/819627248.db2.gz BZZNFWBGENGPGU-UHFFFAOYSA-N 1 2 287.239 0.283 20 5 CCBDLO COc1cc(-n2[nH]c(=O)nc2C[NH3+])cc([N+](=O)[O-])c1C ZINC001168761271 819807201 /nfs/dbraw/zinc/80/72/01/819807201.db2.gz OLKDLJWUPGNESO-UHFFFAOYSA-N 1 2 279.256 0.657 20 5 CCBDLO Cn1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC001198620129 847148078 /nfs/dbraw/zinc/14/80/78/847148078.db2.gz BPWCCRWEAHKVJH-UHFFFAOYSA-N 1 2 264.289 0.657 20 5 CCBDLO Cn1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC001198620129 847148080 /nfs/dbraw/zinc/14/80/80/847148080.db2.gz BPWCCRWEAHKVJH-UHFFFAOYSA-N 1 2 264.289 0.657 20 5 CCBDLO Cc1noc(C[N@@H+]2CCC(CO)(CO)C2)c1[N+](=O)[O-] ZINC001350394537 925187444 /nfs/dbraw/zinc/18/74/44/925187444.db2.gz OHORTINOVJVBQR-UHFFFAOYSA-N 1 2 271.273 0.068 20 5 CCBDLO Cc1noc(C[N@H+]2CCC(CO)(CO)C2)c1[N+](=O)[O-] ZINC001350394537 925187451 /nfs/dbraw/zinc/18/74/51/925187451.db2.gz OHORTINOVJVBQR-UHFFFAOYSA-N 1 2 271.273 0.068 20 5 CCBDLO