smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N(CC[NH+](C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000095945010 185037951 /nfs/dbraw/zinc/03/79/51/185037951.db2.gz BAKCAWNGPLXXGQ-UHFFFAOYSA-N 1 0 266.345 2.075 50 5 CEBARO Cn1c(-c2ccccc2)c[n+]2cccc([N+](=O)[O-])c12 ZINC000071405108 282553394 /nfs/dbraw/zinc/55/33/94/282553394.db2.gz NSRVIZIQKQATDM-UHFFFAOYSA-N 1 0 254.269 2.339 50 5 CEBARO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000069926322 363013119 /nfs/dbraw/zinc/01/31/19/363013119.db2.gz GGZRWDZSFKITAK-FZMZJTMJSA-N 1 0 264.325 2.330 50 5 CEBARO CCCC[C@H](CC)[C@H]1OC[C@@H](C[N+]2(C)CCOCC2)O1 ZINC000013496316 361429056 /nfs/dbraw/zinc/42/90/56/361429056.db2.gz PFBYGNWQTPOBMO-XHSDSOJGSA-N 1 0 286.436 2.421 50 5 CEBARO C[C@H]([NH2+][C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000097038555 364428800 /nfs/dbraw/zinc/42/88/00/364428800.db2.gz LPGOJGXFGVFPPW-GWCFXTLKSA-N 1 0 250.298 2.424 50 5 CEBARO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)CCC2 ZINC000192966980 369877063 /nfs/dbraw/zinc/87/70/63/369877063.db2.gz FULATJZLRXIPDV-GHJWDPDVSA-N 1 0 288.347 2.499 50 5 CEBARO CC(C)[C@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000222082513 370249296 /nfs/dbraw/zinc/24/92/96/370249296.db2.gz GLSDCQNTGZTMKJ-GXTWGEPZSA-N 1 0 296.367 2.311 50 5 CEBARO CC[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@H]4[C@H](CCC1)[C@@H]32 ZINC000252441088 371437794 /nfs/dbraw/zinc/43/77/94/371437794.db2.gz FFXCRHHKJZTONF-YEAFQPLXSA-N 1 0 277.432 2.406 50 5 CEBARO CC[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@H]4[C@@H](CCC1)[C@H]32 ZINC000252441086 371438129 /nfs/dbraw/zinc/43/81/29/371438129.db2.gz FFXCRHHKJZTONF-JBFGMIDGSA-N 1 0 277.432 2.406 50 5 CEBARO Cn1cnc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCCC1 ZINC000008337165 170331875 /nfs/dbraw/zinc/33/18/75/170331875.db2.gz WBFFNWAIPQJMJJ-UHFFFAOYSA-N 1 0 281.360 2.005 50 5 CEBARO CC(C)C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000074136787 176510556 /nfs/dbraw/zinc/51/05/56/176510556.db2.gz SPQBKEZHGVOLOH-GFCCVEGCSA-N 1 0 293.367 2.301 50 5 CEBARO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC000047272590 275037134 /nfs/dbraw/zinc/03/71/34/275037134.db2.gz XJAZPHSIBCIAOZ-NWDGAFQWSA-N 1 0 262.313 2.029 50 5 CEBARO O=[N+]([O-])c1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000042773444 362118869 /nfs/dbraw/zinc/11/88/69/362118869.db2.gz NEWLEDWVICXAHJ-UHFFFAOYSA-N 1 0 250.298 2.363 50 5 CEBARO Cc1c(C[NH+]2CCC3(CC2)OCCO3)cccc1[N+](=O)[O-] ZINC000047496598 362211286 /nfs/dbraw/zinc/21/12/86/362211286.db2.gz GZTABDWOCCMIRF-UHFFFAOYSA-N 1 0 292.335 2.242 50 5 CEBARO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069780173 363000709 /nfs/dbraw/zinc/00/07/09/363000709.db2.gz PQADJTWGONLIHB-CHWSQXEVSA-N 1 0 294.351 2.209 50 5 CEBARO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCCC1 ZINC000000176390 361141225 /nfs/dbraw/zinc/14/12/25/361141225.db2.gz SIYMLVHTBFAZEH-UHFFFAOYSA-N 1 0 293.323 2.028 50 5 CEBARO CN(Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000000240347 361150880 /nfs/dbraw/zinc/15/08/80/361150880.db2.gz IOGOFXGQQRHSIE-UHFFFAOYSA-N 1 0 263.341 2.121 50 5 CEBARO CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1 ZINC000012414057 361384504 /nfs/dbraw/zinc/38/45/04/361384504.db2.gz RBTBFTRPCNLSDE-UHFFFAOYSA-N 1 0 284.408 2.499 50 5 aggregator,fda CEBARO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000089937215 364019066 /nfs/dbraw/zinc/01/90/66/364019066.db2.gz XHGWMGDLWDOKIC-WFASDCNBSA-N 1 0 277.368 2.019 50 5 CEBARO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000221792850 370246056 /nfs/dbraw/zinc/24/60/56/370246056.db2.gz VCKWMKACUHPTIA-JHJVBQTASA-N 1 0 294.351 2.065 50 5 CEBARO CC[NH+](CC)CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000000234506 169581740 /nfs/dbraw/zinc/58/17/40/169581740.db2.gz KGUSEAVEYJEXDA-UHFFFAOYSA-N 1 0 265.357 2.368 50 5 CEBARO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005127888 394457689 /nfs/dbraw/zinc/45/76/89/394457689.db2.gz JXBSDLZLJPIEJN-ZJUUUORDSA-N 1 0 280.284 2.185 50 5 CEBARO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC1 ZINC000049238183 400227315 /nfs/dbraw/zinc/22/73/15/400227315.db2.gz ALNQERZSXDVUTB-UHFFFAOYSA-N 1 0 278.308 2.303 50 5 CEBARO O=C(C[NH+]1CCCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000005064839 170062906 /nfs/dbraw/zinc/06/29/06/170062906.db2.gz BNJHNALRJNWBAY-UHFFFAOYSA-N 1 0 277.324 2.409 50 5 CEBARO C[n+]1cccc(CC[C@H]2Nc3ccc([N+](=O)[O-])cc3N2)c1 ZINC000005570454 170114949 /nfs/dbraw/zinc/11/49/49/170114949.db2.gz VATVRKZESPWJAU-HNNXBMFYSA-N 1 0 285.327 2.216 50 5 CEBARO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccccn2)c1 ZINC000045945463 175387767 /nfs/dbraw/zinc/38/77/67/175387767.db2.gz IXAFLOYUSCACAZ-UHFFFAOYSA-N 1 0 273.292 2.158 50 5 CEBARO O=[N+]([O-])c1ccc(/C=C2\[C@@H](O)C3CC[NH+]2CC3)cc1 ZINC000004833280 280362668 /nfs/dbraw/zinc/36/26/68/280362668.db2.gz KWXOJIBUTPSKRN-SSUFTNFISA-N 1 0 260.293 2.022 50 5 CEBARO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046952349 362191925 /nfs/dbraw/zinc/19/19/25/362191925.db2.gz PVBSOHNLWAHLJX-MNOVXSKESA-N 1 0 295.339 2.038 50 5 CEBARO Cc1ccnc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133552170 366235708 /nfs/dbraw/zinc/23/57/08/366235708.db2.gz FGDPXEMIHPAZRY-GHMZBOCLSA-N 1 0 276.340 2.335 50 5 CEBARO CCOc1ccc(CSC2=[NH+]CCN2)cc1[N+](=O)[O-] ZINC000000195201 361143434 /nfs/dbraw/zinc/14/34/34/361143434.db2.gz NIBKKVQFPVDZES-UHFFFAOYSA-N 1 0 281.337 2.186 50 5 CEBARO O=C(C[NH2+]C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004181884 361304064 /nfs/dbraw/zinc/30/40/64/361304064.db2.gz XMZVUMXCMBGCRM-UHFFFAOYSA-N 1 0 277.324 2.456 50 5 CEBARO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000004406362 361316532 /nfs/dbraw/zinc/31/65/32/361316532.db2.gz XPYGLMJMRRVFAU-QMMMGPOBSA-N 1 0 289.257 2.412 50 5 CEBARO Cn1nccc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000348364671 369020113 /nfs/dbraw/zinc/02/01/13/369020113.db2.gz FSYVLFBZNPGQNQ-UHFFFAOYSA-N 1 0 274.324 2.003 50 5 CEBARO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248470436 371200248 /nfs/dbraw/zinc/20/02/48/371200248.db2.gz VCKWMKACUHPTIA-FRRDWIJNSA-N 1 0 294.351 2.065 50 5 CEBARO C[N@@H+]1CC[C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000248789977 371245890 /nfs/dbraw/zinc/24/58/90/371245890.db2.gz XDJXMUCHBUTNLS-HZMBPMFUSA-N 1 0 279.315 2.264 50 5 CEBARO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004700211 170001373 /nfs/dbraw/zinc/00/13/73/170001373.db2.gz TWXPRMXUQHHGJM-GFCCVEGCSA-N 1 0 291.351 2.151 50 5 CEBARO CCCC[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007777002 170301751 /nfs/dbraw/zinc/30/17/51/170301751.db2.gz CMBBFQJLEXBDNP-SNVBAGLBSA-N 1 0 265.313 2.312 50 5 CEBARO [NH3+]CCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000004663007 260016038 /nfs/dbraw/zinc/01/60/38/260016038.db2.gz XIUIJVYLNXWBFZ-UHFFFAOYSA-N 1 0 263.219 2.374 50 5 CEBARO CC(C)(C)CNc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000004703655 273497960 /nfs/dbraw/zinc/49/79/60/273497960.db2.gz JOQNZYDQFZLBHC-UHFFFAOYSA-N 1 0 292.383 2.462 50 5 CEBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)[NH2+]1 ZINC000003877880 274364671 /nfs/dbraw/zinc/36/46/71/274364671.db2.gz UEIVDYVQWOFTJP-RKDXNWHRSA-N 1 0 269.732 2.435 50 5 CEBARO CCOC(=O)c1c(N)sc2c1CC(C)(C)[N+](C)(C)C2 ZINC000002605964 276296807 /nfs/dbraw/zinc/29/68/07/276296807.db2.gz GRDAYBFPGPUKCD-UHFFFAOYSA-O 1 0 283.417 2.418 50 5 CEBARO C[NH+](C)C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000054269482 276773463 /nfs/dbraw/zinc/77/34/63/276773463.db2.gz OBOOSELHPJMOLA-UHFFFAOYSA-N 1 0 267.304 2.264 50 5 CEBARO C[C@@H]1C[N+](C)(C)[C@@H](C)C[C@]1(O)/C=C/C1(O)CCCCC1 ZINC000004689364 278037808 /nfs/dbraw/zinc/03/78/08/278037808.db2.gz SEWNTSZJYCRBLN-XQNFUTKTSA-N 1 0 282.448 2.474 50 5 CEBARO O=[N+]([O-])c1cccc(OC[NH2+]CCCCCCO)c1 ZINC000059606993 362651027 /nfs/dbraw/zinc/65/10/27/362651027.db2.gz CAQAHPCFWVQNTI-UHFFFAOYSA-N 1 0 268.313 2.073 50 5 CEBARO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000000384073 361168256 /nfs/dbraw/zinc/16/82/56/361168256.db2.gz CAPVXZJKYMHZKL-PBWFPOADSA-N 1 0 290.319 2.377 50 5 CEBARO C[C@@H]1C[N+](C)(C)[C@H](C)C[C@]1(O)/C=C/C1(O)CCCCC1 ZINC000004689363 361327607 /nfs/dbraw/zinc/32/76/07/361327607.db2.gz SEWNTSZJYCRBLN-ZDLCVDEKSA-N 1 0 282.448 2.474 50 5 CEBARO COCC[NH2+]CCCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000003003416 169849314 /nfs/dbraw/zinc/84/93/14/169849314.db2.gz QDJFYJQZUFTKPZ-UHFFFAOYSA-N 1 0 282.340 2.298 50 5 CEBARO CC[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000003894078 169921267 /nfs/dbraw/zinc/92/12/67/169921267.db2.gz VUXSDZKTSFBCCK-UHFFFAOYSA-N 1 0 260.297 2.164 50 5 CEBARO C[NH+](C)CCSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006549438 170212187 /nfs/dbraw/zinc/21/21/87/170212187.db2.gz QTIJGXOWOGDDLX-UHFFFAOYSA-N 1 0 294.336 2.299 50 5 CEBARO NC(=O)c1cccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000078553647 177353841 /nfs/dbraw/zinc/35/38/41/177353841.db2.gz ZPBLRBFCXMBRMF-UHFFFAOYSA-N 1 0 299.330 2.026 50 5 CEBARO C[NH+](C)C1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC000041620667 362043082 /nfs/dbraw/zinc/04/30/82/362043082.db2.gz XDKYIRWGDVGKKE-UHFFFAOYSA-N 1 0 264.329 2.276 50 5 CEBARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000069847662 363009045 /nfs/dbraw/zinc/00/90/45/363009045.db2.gz IHQHNXIBGQDGFC-YPMHNXCESA-N 1 0 264.325 2.330 50 5 CEBARO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000070038433 363023384 /nfs/dbraw/zinc/02/33/84/363023384.db2.gz TYCUZDCDMBIQQW-BXUZGUMPSA-N 1 0 264.325 2.330 50 5 CEBARO Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000153647358 188094942 /nfs/dbraw/zinc/09/49/42/188094942.db2.gz SMGOGXZHEUMFDA-LBPRGKRZSA-N 1 0 292.339 2.071 50 5 CEBARO CC[NH+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012952133 361411113 /nfs/dbraw/zinc/41/11/13/361411113.db2.gz UYIQJJQXRDTDIF-UHFFFAOYSA-N 1 0 266.297 2.303 50 5 CEBARO CC(C)[NH+]1CCC(N(C)c2ncccc2[N+](=O)[O-])CC1 ZINC000024208324 361608158 /nfs/dbraw/zinc/60/81/58/361608158.db2.gz IXZLWQRNVRFAMW-UHFFFAOYSA-N 1 0 278.356 2.299 50 5 CEBARO C[C@H](O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000089894284 364013727 /nfs/dbraw/zinc/01/37/27/364013727.db2.gz FEVLYJRVPNWSPI-AAEUAGOBSA-N 1 0 264.325 2.188 50 5 CEBARO CC[N@H+](C)C[C@@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000170652507 367391424 /nfs/dbraw/zinc/39/14/24/367391424.db2.gz RBHICTVFFWXDJL-LBPRGKRZSA-N 1 0 293.367 2.381 50 5 CEBARO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCOCC1 ZINC000188495944 369365123 /nfs/dbraw/zinc/36/51/23/369365123.db2.gz DVOBMGNOGZCEFP-UHFFFAOYSA-N 1 0 279.340 2.037 50 5 CEBARO C[C@@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000253370000 371511748 /nfs/dbraw/zinc/51/17/48/371511748.db2.gz KWQYXLYMDNCCQQ-IJLUTSLNSA-N 1 0 266.345 2.206 50 5 CEBARO CC(=O)c1ccc(N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000314851716 376785248 /nfs/dbraw/zinc/78/52/48/376785248.db2.gz DPRRXNHTHZAVNC-MFKMUULPSA-N 1 0 291.351 2.326 50 5 CEBARO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]1CO ZINC000004985399 170048810 /nfs/dbraw/zinc/04/88/10/170048810.db2.gz HTLIFIOVEGAHAR-YIALFULDSA-N 1 0 262.309 2.065 50 5 CEBARO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCCC[C@H]1C ZINC000045913805 175386304 /nfs/dbraw/zinc/38/63/04/175386304.db2.gz ZTBCEXKBNRXGIN-MNOVXSKESA-N 1 0 295.339 2.181 50 5 CEBARO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000097033677 185155634 /nfs/dbraw/zinc/15/56/34/185155634.db2.gz UAOXFTQRSKCMOI-CMPLNLGQSA-N 1 0 252.314 2.325 50 5 CEBARO CCC(CC)[NH2+]CCNc1ncccc1[N+](=O)[O-] ZINC000585092378 539317055 /nfs/dbraw/zinc/31/70/55/539317055.db2.gz TXSILDDUOJVLGE-UHFFFAOYSA-N 1 0 252.318 2.180 50 5 CEBARO Cc1nc(N2CCC([NH2+]C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000096483912 136520382 /nfs/dbraw/zinc/52/03/82/136520382.db2.gz UEJXIGMXBYOHNW-UHFFFAOYSA-N 1 0 276.340 2.019 50 5 CEBARO C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](O)c1ccccc1)C2 ZINC000100012630 185701247 /nfs/dbraw/zinc/70/12/47/185701247.db2.gz WKWOJBUWWZTUQV-JJXSEGSLSA-N 1 0 290.383 2.033 50 5 in-man CEBARO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000108333345 186212464 /nfs/dbraw/zinc/21/24/64/186212464.db2.gz MSMJYDCOQBSJLG-FRRDWIJNSA-N 1 0 294.351 2.207 50 5 CEBARO CC[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000002862969 361255515 /nfs/dbraw/zinc/25/55/15/361255515.db2.gz DAMOQIGCMQRNJO-UHFFFAOYSA-N 1 0 293.367 2.001 50 5 CEBARO C[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000012790888 361400583 /nfs/dbraw/zinc/40/05/83/361400583.db2.gz NAQQGMASTGKJGV-JTQLQIEISA-N 1 0 277.324 2.068 50 5 CEBARO Cc1c([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000097370957 364492792 /nfs/dbraw/zinc/49/27/92/364492792.db2.gz GYBQPIHJKBOOOA-FRRDWIJNSA-N 1 0 276.336 2.491 50 5 CEBARO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000221793044 370246522 /nfs/dbraw/zinc/24/65/22/370246522.db2.gz MSMJYDCOQBSJLG-JHJVBQTASA-N 1 0 294.351 2.207 50 5 CEBARO CS[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270667531 372891288 /nfs/dbraw/zinc/89/12/88/372891288.db2.gz QLGJJNHTKZGXQJ-KBPBESRZSA-N 1 0 295.408 2.072 50 5 CEBARO COc1ccc(NC(C=C[NH+](C)C)=C[N+](=O)[O-])cc1 ZINC000108758879 400268902 /nfs/dbraw/zinc/26/89/02/400268902.db2.gz GPOSIBHMHQMMLR-DMGFJBLZSA-N 1 0 263.297 2.301 50 5 CEBARO C[n+]1cccc(CC[C@@H]2Nc3ccc([N+](=O)[O-])cc3N2)c1 ZINC000005570452 170114871 /nfs/dbraw/zinc/11/48/71/170114871.db2.gz VATVRKZESPWJAU-OAHLLOKOSA-N 1 0 285.327 2.216 50 5 CEBARO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000020652764 171269125 /nfs/dbraw/zinc/26/91/25/171269125.db2.gz ADLSEZMBGVDYIG-VXGBXAGGSA-N 1 0 280.324 2.083 50 5 CEBARO Cc1ccc([N+](=O)[O-])c(OCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020652746 171269175 /nfs/dbraw/zinc/26/91/75/171269175.db2.gz GSXTXISIEHKLME-STQMWFEESA-N 1 0 294.351 2.391 50 5 CEBARO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCCC[C@@H]1C ZINC000045913806 175386044 /nfs/dbraw/zinc/38/60/44/175386044.db2.gz ZTBCEXKBNRXGIN-QWRGUYRKSA-N 1 0 295.339 2.181 50 5 CEBARO Brc1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000013135467 275373393 /nfs/dbraw/zinc/37/33/93/275373393.db2.gz KHFXNLMLEKWMFL-UHFFFAOYSA-N 1 0 282.205 2.095 50 5 CEBARO CC[NH+](CC)CCCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004602108 276097728 /nfs/dbraw/zinc/09/77/28/276097728.db2.gz XPTNPPUDBMVPNU-UHFFFAOYSA-N 1 0 280.324 2.484 50 5 CEBARO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CC)CCO ZINC000079075340 343972652 /nfs/dbraw/zinc/97/26/52/343972652.db2.gz BOHQZKLZYDRFNL-GFCCVEGCSA-N 1 0 296.367 2.492 50 5 CEBARO Cc1ccc2c(c1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000090538348 539768076 /nfs/dbraw/zinc/76/80/76/539768076.db2.gz GSRNQLOMVUXTSO-OAHLLOKOSA-N 1 0 286.335 2.377 50 5 CEBARO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000069926330 363013667 /nfs/dbraw/zinc/01/36/67/363013667.db2.gz GGZRWDZSFKITAK-SMDDNHRTSA-N 1 0 264.325 2.330 50 5 CEBARO [NH3+][C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005127886 361330322 /nfs/dbraw/zinc/33/03/22/361330322.db2.gz JXBSDLZLJPIEJN-NXEZZACHSA-N 1 0 280.284 2.185 50 5 CEBARO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000014250555 361455435 /nfs/dbraw/zinc/45/54/35/361455435.db2.gz SHVXZBYEGAWHRS-UHFFFAOYSA-N 1 0 264.329 2.275 50 5 CEBARO C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000221747879 370244959 /nfs/dbraw/zinc/24/49/59/370244959.db2.gz IYCFHXCRFYYJHY-DZGCQCFKSA-N 1 0 275.352 2.121 50 5 CEBARO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[NH2+]CC1 ZINC000004051135 285085255 /nfs/dbraw/zinc/08/52/55/285085255.db2.gz NPWQDZRJYNUBQA-UHFFFAOYSA-N 1 0 289.257 2.413 50 5 CEBARO O=c1cc(C[NH2+]CCO)c2c(ccc3ccccc32)o1 ZINC000008123169 170320094 /nfs/dbraw/zinc/32/00/94/170320094.db2.gz WDGUMVZNIMTXPD-UHFFFAOYSA-N 1 0 269.300 2.028 50 5 CEBARO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1CCO ZINC000016513794 170700815 /nfs/dbraw/zinc/70/08/15/170700815.db2.gz DNQFUKZVUDSZMN-ZDUSSCGKSA-N 1 0 264.325 2.332 50 5 CEBARO O=[N+]([O-])c1cc(Cl)ccc1OC1CC[NH2+]CC1 ZINC000042775656 275033522 /nfs/dbraw/zinc/03/35/22/275033522.db2.gz ORHDPNNVCBAAIJ-UHFFFAOYSA-N 1 0 256.689 2.379 50 5 CEBARO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000045026695 275036268 /nfs/dbraw/zinc/03/62/68/275036268.db2.gz KVIJVQJZYRPVSH-UHFFFAOYSA-N 1 0 276.340 2.054 50 5 CEBARO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135237248 366414750 /nfs/dbraw/zinc/41/47/50/366414750.db2.gz SXHCEVOZEOEIIK-NEPJUHHUSA-N 1 0 291.351 2.103 50 5 CEBARO COc1c2c(cc3c1[C@H](CC(C)=O)[N+](C)(C)CC3)OCO2 ZINC000000526376 361183144 /nfs/dbraw/zinc/18/31/44/361183144.db2.gz RYQZLJIPFVQURX-LBPRGKRZSA-N 1 0 292.355 2.077 50 5 CEBARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000013732542 361439830 /nfs/dbraw/zinc/43/98/30/361439830.db2.gz CVZHNYKJJZTPTG-CQSZACIVSA-N 1 0 263.341 2.169 50 5 CEBARO COCC[N@@H+]1CC[C@@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088715928 363915265 /nfs/dbraw/zinc/91/52/65/363915265.db2.gz YUAFHTDQIXAHOM-ZDUSSCGKSA-N 1 0 293.367 2.283 50 5 CEBARO Cc1cc(NC[C@@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083814 364443571 /nfs/dbraw/zinc/44/35/71/364443571.db2.gz PLMNKJSUDWXLPS-SECBINFHSA-N 1 0 275.308 2.492 50 5 CEBARO CC(=O)c1ccc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000314851713 376786109 /nfs/dbraw/zinc/78/61/09/376786109.db2.gz DPRRXNHTHZAVNC-GWCFXTLKSA-N 1 0 291.351 2.326 50 5 CEBARO O=[N+]([O-])c1ccccc1OCCCC[NH+]1CCOCC1 ZINC000019607432 285164632 /nfs/dbraw/zinc/16/46/32/285164632.db2.gz PNNVRGKHCXCGOE-UHFFFAOYSA-N 1 0 280.324 2.086 50 5 CEBARO C[C@H]1CN(c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[NH2+]1 ZINC000000258649 394449327 /nfs/dbraw/zinc/44/93/27/394449327.db2.gz HZFONUHGJQMUKR-IUCAKERBSA-N 1 0 269.732 2.435 50 5 CEBARO O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CCCC1)OCO2 ZINC000004715667 170004214 /nfs/dbraw/zinc/00/42/14/170004214.db2.gz VXAXPIADNWFANY-UHFFFAOYSA-N 1 0 264.281 2.356 50 5 CEBARO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](O)C1 ZINC000004988825 170050020 /nfs/dbraw/zinc/05/00/20/170050020.db2.gz ZPHKJRKWWFKLKH-YIALFULDSA-N 1 0 262.309 2.065 50 5 CEBARO Cc1cc(OC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000014631325 170640440 /nfs/dbraw/zinc/64/04/40/170640440.db2.gz IUXKDKMKTBLXBD-LLVKDONJSA-N 1 0 250.298 2.282 50 5 CEBARO C[C@@H](CC[N+](C)(C)C)OC(=O)[C@@H]1OCCc2ccccc21 ZINC000220132897 717161500 /nfs/dbraw/zinc/16/15/00/717161500.db2.gz VCKFCODGNHIGOS-XJKSGUPXSA-N 1 0 292.399 2.328 50 5 CEBARO Cc1c(NC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000585140841 345007944 /nfs/dbraw/zinc/00/79/44/345007944.db2.gz LQFRDXDWONTNEA-AOOOYVTPSA-N 1 0 292.339 2.117 50 5 CEBARO CNc1ccc(C[NH2+]CC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000069775567 362998486 /nfs/dbraw/zinc/99/84/86/362998486.db2.gz OASIVOOHQNWPKT-UHFFFAOYSA-N 1 0 280.372 2.066 50 5 CEBARO CC(C)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000004170503 361303483 /nfs/dbraw/zinc/30/34/83/361303483.db2.gz UICCYQOGNIFIEN-UHFFFAOYSA-N 1 0 263.341 2.121 50 5 CEBARO CCN1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000013731765 361439332 /nfs/dbraw/zinc/43/93/32/361439332.db2.gz JXOFOQBMYCODJN-AWEZNQCLSA-N 1 0 263.341 2.169 50 5 CEBARO Cc1cc(NCc2ncnn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000170593996 367382388 /nfs/dbraw/zinc/38/23/88/367382388.db2.gz FHUGWUFDBUACAI-UHFFFAOYSA-N 1 0 298.306 2.192 50 5 CEBARO CC[NH+](CC)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000002933146 169845038 /nfs/dbraw/zinc/84/50/38/169845038.db2.gz KUSUGDZWVLICCN-UHFFFAOYSA-N 1 0 265.357 2.416 50 5 CEBARO O=[N+]([O-])c1ccc(CSC2=[NH+]CCCN2)cc1 ZINC000004916849 170041225 /nfs/dbraw/zinc/04/12/25/170041225.db2.gz SWYGXOLZLJMTPI-UHFFFAOYSA-N 1 0 251.311 2.177 50 5 CEBARO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CC[NH2+]C1 ZINC000042775708 362118875 /nfs/dbraw/zinc/11/88/75/362118875.db2.gz AQZYUZFSWORTBS-QMMMGPOBSA-N 1 0 287.113 2.098 50 5 CEBARO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000170594419 188673486 /nfs/dbraw/zinc/67/34/86/188673486.db2.gz MOWATVHCFBNPCE-LLVKDONJSA-N 1 0 293.367 2.326 50 5 CEBARO CC[N@H+](C)C[C@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000170652509 188681372 /nfs/dbraw/zinc/68/13/72/188681372.db2.gz RBHICTVFFWXDJL-GFCCVEGCSA-N 1 0 293.367 2.381 50 5 CEBARO O=C(CC[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000075126682 363441465 /nfs/dbraw/zinc/44/14/65/363441465.db2.gz DDZOOVYHFKCHLV-UHFFFAOYSA-N 1 0 291.351 2.087 50 5 CEBARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000012804070 361400523 /nfs/dbraw/zinc/40/05/23/361400523.db2.gz OOGCEBOIIPQYGL-GHMZBOCLSA-N 1 0 291.351 2.172 50 5 CEBARO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000097372040 364494088 /nfs/dbraw/zinc/49/40/88/364494088.db2.gz VCKWMKACUHPTIA-UPJWGTAASA-N 1 0 294.351 2.065 50 5 CEBARO C[N+]1(C[C@H]2CO[C@@H](c3ccco3)O2)CCCCC1 ZINC000000348133 169613749 /nfs/dbraw/zinc/61/37/49/169613749.db2.gz LXRGOBYNKBYELR-GXTWGEPZSA-N 1 0 252.334 2.324 50 5 CEBARO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(O)CC1 ZINC000004988240 170049330 /nfs/dbraw/zinc/04/93/30/170049330.db2.gz ITQBRKVMOQMIHO-HWKANZROSA-N 1 0 262.309 2.065 50 5 CEBARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000005032872 170058846 /nfs/dbraw/zinc/05/88/46/170058846.db2.gz SGFDXMPBOGSZRP-SWLSCSKDSA-N 1 0 275.352 2.263 50 5 CEBARO CCCC[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007777001 170301579 /nfs/dbraw/zinc/30/15/79/170301579.db2.gz CMBBFQJLEXBDNP-JTQLQIEISA-N 1 0 265.313 2.312 50 5 CEBARO COC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000071904924 176295758 /nfs/dbraw/zinc/29/57/58/176295758.db2.gz LHSZFUWWVBNECU-UHFFFAOYSA-N 1 0 280.324 2.368 50 5 CEBARO Cc1cc(NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000071905257 176296503 /nfs/dbraw/zinc/29/65/03/176296503.db2.gz AHHFPERXMKPVSQ-UHFFFAOYSA-N 1 0 293.367 2.426 50 5 CEBARO O=[N+]([O-])c1cnc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000071914508 275040839 /nfs/dbraw/zinc/04/08/39/275040839.db2.gz MIMLXJWUXGRGSO-SNVBAGLBSA-N 1 0 296.758 2.318 50 5 CEBARO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000004005708 278802595 /nfs/dbraw/zinc/80/25/95/278802595.db2.gz GIRKMKZFBUAZMN-MRVPVSSYSA-N 1 0 255.705 2.046 50 5 CEBARO CC[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@@H]4[C@H](CCC1)[C@H]32 ZINC000249685087 523632630 /nfs/dbraw/zinc/63/26/30/523632630.db2.gz FFXCRHHKJZTONF-KSTXQTNUSA-N 1 0 277.432 2.406 50 5 CEBARO Cc1cc(N2CC[NH2+][C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000952881297 815075991 /nfs/dbraw/zinc/07/59/91/815075991.db2.gz GIYFKCZMQHFBQH-AWEZNQCLSA-N 1 0 298.346 2.449 50 5 CEBARO O=[N+]([O-])c1ccc(OC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042774247 362118219 /nfs/dbraw/zinc/11/82/19/362118219.db2.gz URJDRRUHXPRKIX-QMMMGPOBSA-N 1 0 256.689 2.237 50 5 CEBARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000084780043 539528795 /nfs/dbraw/zinc/52/87/95/539528795.db2.gz RRFYXGZJGWJEBT-CYBMUJFWSA-N 1 0 292.339 2.153 50 5 CEBARO C[n+]1c2ccccc2nc2ccc(N3CCOCC3)cc21 ZINC000005023737 134653586 /nfs/dbraw/zinc/65/35/86/134653586.db2.gz KVBGJHILCPUWRQ-UHFFFAOYSA-N 1 0 280.351 2.049 50 5 CEBARO C[N+](C)(C)CCCCC(=O)c1ccc2c(c1)OCO2 ZINC000002102510 169775019 /nfs/dbraw/zinc/77/50/19/169775019.db2.gz UGRCQGVNAIPLCB-UHFFFAOYSA-N 1 0 264.345 2.475 50 5 CEBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000003878504 274364647 /nfs/dbraw/zinc/36/46/47/274364647.db2.gz CNROPYCGZCFWJI-MRVPVSSYSA-N 1 0 255.705 2.046 50 5 CEBARO O=[N+]([O-])c1ccccc1OCCCCCC[NH2+]CCO ZINC000002901452 624620905 /nfs/dbraw/zinc/62/09/05/624620905.db2.gz NCTCBHQJDWTKER-UHFFFAOYSA-N 1 0 282.340 2.116 50 5 CEBARO O=[N+]([O-])c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773464 362118903 /nfs/dbraw/zinc/11/89/03/362118903.db2.gz YFZKAGQWHZZIKK-NSHDSACASA-N 1 0 250.298 2.363 50 5 CEBARO CC(=O)c1ccc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000048262399 362252186 /nfs/dbraw/zinc/25/21/86/362252186.db2.gz CMDQBFVBZNNFEN-UHFFFAOYSA-N 1 0 277.324 2.304 50 5 CEBARO CC[NH+]1CCC(NC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000024237981 361609357 /nfs/dbraw/zinc/60/93/57/361609357.db2.gz IFITVXGNPLLYRB-UHFFFAOYSA-N 1 0 292.339 2.201 50 5 CEBARO Cc1cc(N[C@@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097084676 364443822 /nfs/dbraw/zinc/44/38/22/364443822.db2.gz RNOQVSNGQLCKDL-VIFPVBQESA-N 1 0 261.281 2.244 50 5 CEBARO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000170594420 367382669 /nfs/dbraw/zinc/38/26/69/367382669.db2.gz MOWATVHCFBNPCE-NSHDSACASA-N 1 0 293.367 2.326 50 5 CEBARO Cc1cc(OCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000004845194 170029639 /nfs/dbraw/zinc/02/96/39/170029639.db2.gz RTUIDSJXWGKYHC-UHFFFAOYSA-N 1 0 250.298 2.378 50 5 CEBARO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000022754675 171397232 /nfs/dbraw/zinc/39/72/32/171397232.db2.gz NUMJNAAWCYPRJL-CQSZACIVSA-N 1 0 293.367 2.219 50 5 CEBARO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024803367 278186976 /nfs/dbraw/zinc/18/69/76/278186976.db2.gz MBAKWSQHMKUNNO-GFCCVEGCSA-N 1 0 291.351 2.199 50 5 CEBARO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000069926340 363013335 /nfs/dbraw/zinc/01/33/35/363013335.db2.gz GGZRWDZSFKITAK-BXUZGUMPSA-N 1 0 264.325 2.330 50 5 CEBARO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135237294 187810034 /nfs/dbraw/zinc/81/00/34/187810034.db2.gz SXHCEVOZEOEIIK-RYUDHWBXSA-N 1 0 291.351 2.103 50 5 CEBARO c1sc(-c2ccccc2)nc1C[N+]12CCN(CC1)CC2 ZINC000012546573 361390562 /nfs/dbraw/zinc/39/05/62/361390562.db2.gz OFSMAIMKJYKLOA-UHFFFAOYSA-N 1 0 286.424 2.456 50 5 CEBARO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccsc1)[NH+](C)C ZINC000026720415 361644232 /nfs/dbraw/zinc/64/42/32/361644232.db2.gz KRAOJAXZOBBVMT-SNVBAGLBSA-N 1 0 295.368 2.105 50 5 CEBARO COc1cc2c(cc1OC)[C@H](C)[N@@+](C)(C[C@H](C)O)CC2 ZINC000252441045 371437771 /nfs/dbraw/zinc/43/77/71/371437771.db2.gz CDGPCRFXVCWTDY-NVGCLXPQSA-N 1 0 280.388 2.148 50 5 CEBARO C[NH2+]C1(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CCC1 ZINC000408523104 375509873 /nfs/dbraw/zinc/50/98/73/375509873.db2.gz OXFCDSSMLSBKNM-UHFFFAOYSA-N 1 0 277.324 2.351 50 5 CEBARO CCCC[N@H+](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000330033031 377048257 /nfs/dbraw/zinc/04/82/57/377048257.db2.gz VPNTYDVEENJTOF-UHFFFAOYSA-N 1 0 266.345 2.321 50 5 CEBARO O=[N+]([O-])c1ccc(CCN2CC[NH+](CC3CC3)CC2)cc1 ZINC000298783331 395364834 /nfs/dbraw/zinc/36/48/34/395364834.db2.gz HBJFMLFBRVGMLZ-UHFFFAOYSA-N 1 0 289.379 2.165 50 5 CEBARO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228068498 153356302 /nfs/dbraw/zinc/35/63/02/153356302.db2.gz GCLFEVMDWZLKTQ-GHMZBOCLSA-N 1 0 252.314 2.152 50 5 CEBARO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](CO)C1 ZINC000004988916 170050094 /nfs/dbraw/zinc/05/00/94/170050094.db2.gz VYUHYWOLTOTBRN-LVDDQXARSA-N 1 0 276.336 2.312 50 5 CEBARO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccccn2)cc1 ZINC000007365290 170279336 /nfs/dbraw/zinc/27/93/36/170279336.db2.gz VKXOAZCVKMCWQX-UHFFFAOYSA-N 1 0 272.308 2.192 50 5 CEBARO CCCC[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000103100267 528469140 /nfs/dbraw/zinc/46/91/40/528469140.db2.gz IWEDYJMBTBTZDU-GFCCVEGCSA-N 1 0 295.387 2.395 50 5 CEBARO C[N@@H+]1CCC[C@H]1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000095981709 185053791 /nfs/dbraw/zinc/05/37/91/185053791.db2.gz ZFZBXNQNNIWXHJ-HNNXBMFYSA-N 1 0 289.379 2.437 50 5 CEBARO CC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000049099995 362339092 /nfs/dbraw/zinc/33/90/92/362339092.db2.gz GNEHXHXZYKYMNF-LBPRGKRZSA-N 1 0 277.324 2.304 50 5 CEBARO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000106078676 186101200 /nfs/dbraw/zinc/10/12/00/186101200.db2.gz PVBSOHNLWAHLJX-GHMZBOCLSA-N 1 0 295.339 2.038 50 5 CEBARO Cc1c(CN2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000106848159 186141317 /nfs/dbraw/zinc/14/13/17/186141317.db2.gz WUKIROBIUVOELJ-LLVKDONJSA-N 1 0 263.341 2.039 50 5 CEBARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000069926326 363014105 /nfs/dbraw/zinc/01/41/05/363014105.db2.gz GGZRWDZSFKITAK-RISCZKNCSA-N 1 0 264.325 2.330 50 5 CEBARO O=[N+]([O-])c1cccc2nc(CC[n+]3ccccc3)[nH]c21 ZINC000000384349 361168655 /nfs/dbraw/zinc/16/86/55/361168655.db2.gz KVDCZHKWZOMXQW-UHFFFAOYSA-N 1 0 269.284 2.001 50 5 CEBARO O=[N+]([O-])c1ccc(SC2=[NH+]CCCCN2)c([N+](=O)[O-])c1 ZINC000004544071 361320569 /nfs/dbraw/zinc/32/05/69/361320569.db2.gz CQCNSQFZNCDYMK-UHFFFAOYSA-N 1 0 296.308 2.335 50 5 CEBARO O=[N+]([O-])c1ccc(/C=C2/[C@H](O)C3CC[NH+]2CC3)cc1 ZINC000015017002 361465251 /nfs/dbraw/zinc/46/52/51/361465251.db2.gz KWXOJIBUTPSKRN-RNQWEJQRSA-N 1 0 260.293 2.022 50 5 CEBARO CCCN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000084755198 363821544 /nfs/dbraw/zinc/82/15/44/363821544.db2.gz JVSFXJMCRZGQTO-UHFFFAOYSA-N 1 0 285.369 2.070 50 5 CEBARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000089894285 364013582 /nfs/dbraw/zinc/01/35/82/364013582.db2.gz FEVLYJRVPNWSPI-YPMHNXCESA-N 1 0 264.325 2.188 50 5 CEBARO C[C@@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000097146723 364465462 /nfs/dbraw/zinc/46/54/62/364465462.db2.gz KWQYXLYMDNCCQQ-GRYCIOLGSA-N 1 0 266.345 2.206 50 5 CEBARO C[N@@H+]1CC[C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000248789982 371245769 /nfs/dbraw/zinc/24/57/69/371245769.db2.gz XDJXMUCHBUTNLS-YGRLFVJLSA-N 1 0 279.315 2.264 50 5 CEBARO C[NH+](C)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000048462348 394516332 /nfs/dbraw/zinc/51/63/32/394516332.db2.gz QFWBGCJURWMSQX-UHFFFAOYSA-N 1 0 267.304 2.264 50 5 CEBARO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000095983366 394674784 /nfs/dbraw/zinc/67/47/84/394674784.db2.gz BPAKWQSJSPNXLU-RYUDHWBXSA-N 1 0 263.341 2.432 50 5 CEBARO O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042771363 275033556 /nfs/dbraw/zinc/03/35/56/275033556.db2.gz FUFOGFLNGAJXGI-MRVPVSSYSA-N 1 0 256.689 2.237 50 5 CEBARO O=[N+]([O-])c1cccc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042773450 362118514 /nfs/dbraw/zinc/11/85/14/362118514.db2.gz LNTRNZMAXXVFDR-LLVKDONJSA-N 1 0 250.298 2.363 50 5 CEBARO O=[N+]([O-])c1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042773572 362118841 /nfs/dbraw/zinc/11/88/41/362118841.db2.gz KLLVZGWZMAHLRG-LLVKDONJSA-N 1 0 250.298 2.363 50 5 CEBARO C[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000000207626 361146048 /nfs/dbraw/zinc/14/60/48/361146048.db2.gz FOPDEDXTBCHOMR-UHFFFAOYSA-N 1 0 283.759 2.386 50 5 CEBARO C[N+]1(C)CCC[C@H]1c1cc(Br)cnc1N ZINC000019760568 361550679 /nfs/dbraw/zinc/55/06/79/361550679.db2.gz VRYZQXKLNLFTAI-JTQLQIEISA-N 1 0 271.182 2.338 50 5 biogenic,in-vitro CEBARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000089894279 364013384 /nfs/dbraw/zinc/01/33/84/364013384.db2.gz RTJFLALKFPESOZ-DGCLKSJQSA-N 1 0 264.325 2.188 50 5 CEBARO CC[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@@H]4[C@H](CCC1)[C@@H]32 ZINC000249685091 371352959 /nfs/dbraw/zinc/35/29/59/371352959.db2.gz FFXCRHHKJZTONF-MOXHTAKSSA-N 1 0 277.432 2.406 50 5 CEBARO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000230081674 285111260 /nfs/dbraw/zinc/11/12/60/285111260.db2.gz PLMMGEYDSJMEQH-HUUCEWRRSA-N 1 0 276.336 2.391 50 5 CEBARO O=[N+]([O-])c1ccccc1N1CCC([NH2+]C2CC2)CC1 ZINC000084505981 285162614 /nfs/dbraw/zinc/16/26/14/285162614.db2.gz ZQWIKQAYOAMIQG-UHFFFAOYSA-N 1 0 261.325 2.316 50 5 CEBARO CCn1c2ccccc2nc2ccc(=[NH+]CCO)cc1-2 ZINC000334156953 394659284 /nfs/dbraw/zinc/65/92/84/394659284.db2.gz RDLNSUAPPVNBCO-UHFFFAOYSA-N 1 0 267.332 2.054 50 5 CEBARO CC[N+](CC)(CCS(=O)(=O)CC)Cc1ccccc1 ZINC000012860757 170515071 /nfs/dbraw/zinc/51/50/71/170515071.db2.gz NWTKACXMKSXLQL-UHFFFAOYSA-N 1 0 284.445 2.478 50 5 CEBARO Brc1ccc2[nH]n3c4ccccc4n[n+]3c2c1 ZINC000013584038 275372902 /nfs/dbraw/zinc/37/29/02/275372902.db2.gz HRFPDMFDWACZDR-UHFFFAOYSA-N 1 0 288.128 2.317 50 5 CEBARO C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000004005709 279882053 /nfs/dbraw/zinc/88/20/53/279882053.db2.gz GIRKMKZFBUAZMN-QMMMGPOBSA-N 1 0 255.705 2.046 50 5 CEBARO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000069654793 290058066 /nfs/dbraw/zinc/05/80/66/290058066.db2.gz ADNDXXPCPCNSIC-HNNXBMFYSA-N 1 0 298.346 2.483 50 5 CEBARO CC[C@](C)(C[NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000097022062 185153563 /nfs/dbraw/zinc/15/35/63/185153563.db2.gz VREOWPDYMYKZHJ-CYBMUJFWSA-N 1 0 276.296 2.271 50 5 CEBARO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CC)CCO ZINC000079075333 343972761 /nfs/dbraw/zinc/97/27/61/343972761.db2.gz BOHQZKLZYDRFNL-LBPRGKRZSA-N 1 0 296.367 2.492 50 5 CEBARO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135237308 366414708 /nfs/dbraw/zinc/41/47/08/366414708.db2.gz SXHCEVOZEOEIIK-NWDGAFQWSA-N 1 0 291.351 2.103 50 5 CEBARO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000016513799 361490605 /nfs/dbraw/zinc/49/06/05/361490605.db2.gz DNQFUKZVUDSZMN-CYBMUJFWSA-N 1 0 264.325 2.332 50 5 CEBARO Cc1cc(NC[C@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083815 364442918 /nfs/dbraw/zinc/44/29/18/364442918.db2.gz PLMNKJSUDWXLPS-VIFPVBQESA-N 1 0 275.308 2.492 50 5 CEBARO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)c(F)c1 ZINC000225461831 370296736 /nfs/dbraw/zinc/29/67/36/370296736.db2.gz JDYRVCPLRVLQNG-UHFFFAOYSA-N 1 0 265.288 2.408 50 5 CEBARO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000003878505 394453652 /nfs/dbraw/zinc/45/36/52/394453652.db2.gz CNROPYCGZCFWJI-QMMMGPOBSA-N 1 0 255.705 2.046 50 5 CEBARO Cc1cc(N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083744 394699338 /nfs/dbraw/zinc/69/93/38/394699338.db2.gz ZRNIUMAYQQOHPA-UHFFFAOYSA-N 1 0 273.292 2.288 50 5 CEBARO CCC(C)(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000040477290 174282901 /nfs/dbraw/zinc/28/29/01/174282901.db2.gz TYMIEPQGALNLON-UHFFFAOYSA-N 1 0 291.351 2.262 50 5 CEBARO C[C@]([NH3+])(CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000071893763 176291478 /nfs/dbraw/zinc/29/14/78/176291478.db2.gz QPFDQXOGNGMUAI-LBPRGKRZSA-N 1 0 253.277 2.273 50 5 CEBARO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000222684543 275037115 /nfs/dbraw/zinc/03/71/15/275037115.db2.gz XJAZPHSIBCIAOZ-NEPJUHHUSA-N 1 0 262.313 2.029 50 5 CEBARO O=[N+]([O-])c1ccsc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000095986678 275040636 /nfs/dbraw/zinc/04/06/36/275040636.db2.gz KTFGNDYXRDUGAM-NSHDSACASA-N 1 0 297.380 2.322 50 5 CEBARO [NH3+]CCCOc1cc([N+](=O)[O-])ccc1Br ZINC000096029637 185067644 /nfs/dbraw/zinc/06/76/44/185067644.db2.gz KIZSYJUTVHQTPW-UHFFFAOYSA-N 1 0 275.102 2.085 50 5 CEBARO CC[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000069561926 362980317 /nfs/dbraw/zinc/98/03/17/362980317.db2.gz JPYHUVBKBMFPNM-UHFFFAOYSA-N 1 0 269.370 2.184 50 5 CEBARO Cc1ccnc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133552392 366235916 /nfs/dbraw/zinc/23/59/16/366235916.db2.gz FGDPXEMIHPAZRY-MNOVXSKESA-N 1 0 276.340 2.335 50 5 CEBARO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299251134 200648983 /nfs/dbraw/zinc/64/89/83/200648983.db2.gz SAMCZGNNLPRZHV-UHFFFAOYSA-N 1 0 293.367 2.426 50 5 CEBARO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000090182405 364047761 /nfs/dbraw/zinc/04/77/61/364047761.db2.gz GSWYHWURMSRMIW-JQWIXIFHSA-N 1 0 289.335 2.009 50 5 CEBARO C[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@@H]4[C@H](CCC1)[C@H]32 ZINC000239274888 370776164 /nfs/dbraw/zinc/77/61/64/370776164.db2.gz AVTHDTNSRLXBOV-DBMJBKLQSA-N 1 0 263.405 2.016 50 5 CEBARO Cc1cccc(NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000225459204 370296823 /nfs/dbraw/zinc/29/68/23/370296823.db2.gz HHNDJDVWMOJNCZ-UHFFFAOYSA-N 1 0 293.367 2.426 50 5 CEBARO Cc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280523511 375231224 /nfs/dbraw/zinc/23/12/24/375231224.db2.gz BFWMPVLQXZQSIC-FQEVSTJZSA-N 1 0 296.392 2.294 50 5 CEBARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000005032866 170058614 /nfs/dbraw/zinc/05/86/14/170058614.db2.gz SGFDXMPBOGSZRP-IUODEOHRSA-N 1 0 275.352 2.263 50 5 CEBARO O=[N+]([O-])c1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042773568 362118441 /nfs/dbraw/zinc/11/84/41/362118441.db2.gz KLLVZGWZMAHLRG-NSHDSACASA-N 1 0 250.298 2.363 50 5 CEBARO C[C@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069780171 362999823 /nfs/dbraw/zinc/99/98/23/362999823.db2.gz PQADJTWGONLIHB-QWHCGFSZSA-N 1 0 294.351 2.209 50 5 CEBARO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000153647476 188095423 /nfs/dbraw/zinc/09/54/23/188095423.db2.gz SMGOGXZHEUMFDA-GFCCVEGCSA-N 1 0 292.339 2.071 50 5 CEBARO COC(=O)CCc1ccc(OC)c(C[N+](C)(C)C)c1 ZINC000000502617 361182098 /nfs/dbraw/zinc/18/20/98/361182098.db2.gz IOICNQJPOPTOEM-UHFFFAOYSA-N 1 0 266.361 2.007 50 5 CEBARO CCCC[C@H](CC)[C@@H]1OC[C@H](C[N+]2(C)CCOCC2)O1 ZINC000004184920 361303834 /nfs/dbraw/zinc/30/38/34/361303834.db2.gz PFBYGNWQTPOBMO-HRCADAONSA-N 1 0 286.436 2.421 50 5 CEBARO C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](O)c1ccccc1)C2 ZINC000100012628 364537974 /nfs/dbraw/zinc/53/79/74/364537974.db2.gz WKWOJBUWWZTUQV-FXUDXRNXSA-N 1 0 290.383 2.033 50 5 in-man CEBARO CN(C)/C=C/c1c(C=O)c2cc([N+](=O)[O-])ccc2n1C ZINC000013163090 394464124 /nfs/dbraw/zinc/46/41/24/394464124.db2.gz IAGYQPKLIIOSPO-VOTSOKGWSA-N 1 0 273.292 2.431 50 5 CEBARO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004899460 170037816 /nfs/dbraw/zinc/03/78/16/170037816.db2.gz GJHIOWXZFDVUKQ-AWEZNQCLSA-N 1 0 285.303 2.103 50 5 CEBARO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000004948704 170044337 /nfs/dbraw/zinc/04/43/37/170044337.db2.gz IHTYDVBLKIUXOX-ZDUSSCGKSA-N 1 0 264.325 2.332 50 5 CEBARO C[C@H](O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071897306 176293236 /nfs/dbraw/zinc/29/32/36/176293236.db2.gz JNIRGWDSBQHSAA-LBPRGKRZSA-N 1 0 278.352 2.230 50 5 CEBARO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[N@H+](C)C1 ZINC000078552723 177353290 /nfs/dbraw/zinc/35/32/90/177353290.db2.gz WQHGMLJTGHPMSU-GFCCVEGCSA-N 1 0 293.367 2.035 50 5 CEBARO CC[N+](CC)(CC)CN1C(=O)c2ccccc2C1=O ZINC000000392563 276681182 /nfs/dbraw/zinc/68/11/82/276681182.db2.gz LVNICIPOPBSZHC-UHFFFAOYSA-N 1 0 261.345 2.117 50 5 CEBARO COc1cc2c(cc1OC)[C@H](C)[N@+](C)(C[C@H](C)O)CC2 ZINC000252441047 277394447 /nfs/dbraw/zinc/39/44/47/277394447.db2.gz CDGPCRFXVCWTDY-PRXAMGSTSA-N 1 0 280.388 2.148 50 5 CEBARO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000003877885 278802565 /nfs/dbraw/zinc/80/25/65/278802565.db2.gz CNBXACPESICDFY-RKDXNWHRSA-N 1 0 269.732 2.435 50 5 CEBARO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000096009763 185064535 /nfs/dbraw/zinc/06/45/35/185064535.db2.gz MSMJYDCOQBSJLG-UPJWGTAASA-N 1 0 294.351 2.207 50 5 CEBARO CC(=O)OC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096034803 185068389 /nfs/dbraw/zinc/06/83/89/185068389.db2.gz AINWLDFGFDOHFL-UHFFFAOYSA-N 1 0 292.335 2.165 50 5 CEBARO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000107543116 186178326 /nfs/dbraw/zinc/17/83/26/186178326.db2.gz XHGWMGDLWDOKIC-SWLSCSKDSA-N 1 0 277.368 2.019 50 5 CEBARO C[N+]1(C[C@@H]2CO[C@H](c3ccco3)O2)CCCCC1 ZINC000000348136 361164087 /nfs/dbraw/zinc/16/40/87/361164087.db2.gz LXRGOBYNKBYELR-OCCSQVGLSA-N 1 0 252.334 2.324 50 5 CEBARO O=C(C[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004661963 361325333 /nfs/dbraw/zinc/32/53/33/361325333.db2.gz UITDAQYTVKAMJP-UHFFFAOYSA-N 1 0 277.324 2.409 50 5 CEBARO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000090182403 364047453 /nfs/dbraw/zinc/04/74/53/364047453.db2.gz GSWYHWURMSRMIW-CMPLNLGQSA-N 1 0 289.335 2.009 50 5 CEBARO CCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000071912055 176297992 /nfs/dbraw/zinc/29/79/92/176297992.db2.gz JJFHWXNBHNGIEI-NSHDSACASA-N 1 0 264.329 2.276 50 5 CEBARO Cc1cccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000225459294 281229093 /nfs/dbraw/zinc/22/90/93/281229093.db2.gz LOHYAEWVCGGJOD-CYBMUJFWSA-N 1 0 273.336 2.354 50 5 CEBARO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000004988203 521521751 /nfs/dbraw/zinc/52/17/51/521521751.db2.gz QEQDDDFQZYWKCB-FNORWQNLSA-N 1 0 264.325 2.312 50 5 CEBARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000055543907 362552864 /nfs/dbraw/zinc/55/28/64/362552864.db2.gz GPLDOLMDLMVMEW-CYBMUJFWSA-N 1 0 292.335 2.370 50 5 CEBARO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCC[C@H](C)C1 ZINC000106078677 186101441 /nfs/dbraw/zinc/10/14/41/186101441.db2.gz PVBSOHNLWAHLJX-WDEREUQCSA-N 1 0 295.339 2.038 50 5 CEBARO CN(Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000000201850 361144932 /nfs/dbraw/zinc/14/49/32/361144932.db2.gz VMOLHAFMZBMOMF-UHFFFAOYSA-N 1 0 263.341 2.121 50 5 CEBARO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000090182406 364047532 /nfs/dbraw/zinc/04/75/32/364047532.db2.gz GSWYHWURMSRMIW-PWSUYJOCSA-N 1 0 289.335 2.009 50 5 CEBARO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000095435723 364377428 /nfs/dbraw/zinc/37/74/28/364377428.db2.gz IOXQXNWEQUZDQN-CQSZACIVSA-N 1 0 298.346 2.358 50 5 CEBARO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000221870487 370245927 /nfs/dbraw/zinc/24/59/27/370245927.db2.gz FQXVZVWNLNTZOY-DMDPSCGWSA-N 1 0 295.770 2.417 50 5 CEBARO CC[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@@H]4[C@@H](CCC1)[C@H]32 ZINC000249685083 371352819 /nfs/dbraw/zinc/35/28/19/371352819.db2.gz FFXCRHHKJZTONF-CMQWMLGXSA-N 1 0 277.432 2.406 50 5 CEBARO C[N+](C)(C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000000236833 169582745 /nfs/dbraw/zinc/58/27/45/169582745.db2.gz IJEDRNYHHZRYNH-SNVBAGLBSA-N 1 0 279.187 2.439 50 5 CEBARO O=[N+]([O-])c1cccnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000052428331 285165124 /nfs/dbraw/zinc/16/51/24/285165124.db2.gz CSMXGDUFUJCOKC-UHFFFAOYSA-N 1 0 290.367 2.445 50 5 CEBARO CC[NH+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000096027773 185067614 /nfs/dbraw/zinc/06/76/14/185067614.db2.gz CGAMUUVPRXOPKY-UHFFFAOYSA-N 1 0 268.313 2.454 50 5 CEBARO Cc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)o1 ZINC000097374034 364493938 /nfs/dbraw/zinc/49/39/38/364493938.db2.gz NHPAFEYOICYCRS-SNVBAGLBSA-N 1 0 264.285 2.044 50 5 CEBARO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000071899495 285122691 /nfs/dbraw/zinc/12/26/91/285122691.db2.gz FTCFPSMNLSGRMV-CQSZACIVSA-N 1 0 261.325 2.269 50 5 CEBARO O=[N+]([O-])c1cccc(OCC[NH+]2CCCCC2)c1 ZINC000004841629 170028136 /nfs/dbraw/zinc/02/81/36/170028136.db2.gz CZAMFZHFKJGTRV-UHFFFAOYSA-N 1 0 250.298 2.460 50 5 CEBARO C[C@H]1C[NH+](CCCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000020167826 171040561 /nfs/dbraw/zinc/04/05/61/171040561.db2.gz RBZBAAXMDDRYAU-STQMWFEESA-N 1 0 294.351 2.473 50 5 CEBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000003877878 274364675 /nfs/dbraw/zinc/36/46/75/274364675.db2.gz UEIVDYVQWOFTJP-DTORHVGOSA-N 1 0 269.732 2.435 50 5 CEBARO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000097036903 185166465 /nfs/dbraw/zinc/16/64/65/185166465.db2.gz ZGYHYBOGRKZTPE-CQSZACIVSA-N 1 0 298.346 2.358 50 5 CEBARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000055543908 362552946 /nfs/dbraw/zinc/55/29/46/362552946.db2.gz GPLDOLMDLMVMEW-ZDUSSCGKSA-N 1 0 292.335 2.370 50 5 CEBARO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069780167 362999801 /nfs/dbraw/zinc/99/98/01/362999801.db2.gz PQADJTWGONLIHB-STQMWFEESA-N 1 0 294.351 2.209 50 5 CEBARO COc1c2c(cc3c1[C@@H](CC(C)=O)[N+](C)(C)CC3)OCO2 ZINC000000526377 361182989 /nfs/dbraw/zinc/18/29/89/361182989.db2.gz RYQZLJIPFVQURX-GFCCVEGCSA-N 1 0 292.355 2.077 50 5 CEBARO CC(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003379441 361277080 /nfs/dbraw/zinc/27/70/80/361277080.db2.gz TXDLSMAXHAWDLV-UHFFFAOYSA-N 1 0 262.269 2.143 50 5 CEBARO CCOc1ccc(CSC(N)=[NH2+])cc1[N+](=O)[O-] ZINC000004348618 361313669 /nfs/dbraw/zinc/31/36/69/361313669.db2.gz SUBZWOAAYBCLAA-UHFFFAOYSA-N 1 0 255.299 2.120 50 5 CEBARO O=[N+]([O-])c1ccc(OCC[NH+]2CCCC2)c(F)c1 ZINC000012399105 361383089 /nfs/dbraw/zinc/38/30/89/361383089.db2.gz INZRDRWRCZWASO-UHFFFAOYSA-N 1 0 254.261 2.209 50 5 CEBARO CC(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000024990446 361617121 /nfs/dbraw/zinc/61/71/21/361617121.db2.gz KVSIGHRZMSBCGI-CYBMUJFWSA-N 1 0 294.355 2.303 50 5 CEBARO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000089904918 364014941 /nfs/dbraw/zinc/01/49/41/364014941.db2.gz NHXKOLRVMDWIFB-LBPRGKRZSA-N 1 0 291.351 2.258 50 5 CEBARO COc1cc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C ZINC000394461750 375328562 /nfs/dbraw/zinc/32/85/62/375328562.db2.gz PAVVWNXBGLMGMZ-UHFFFAOYSA-N 1 0 279.340 2.418 50 5 CEBARO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000079350294 285111370 /nfs/dbraw/zinc/11/13/70/285111370.db2.gz PLMMGEYDSJMEQH-GJZGRUSLSA-N 1 0 276.336 2.391 50 5 CEBARO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044411793 175171794 /nfs/dbraw/zinc/17/17/94/175171794.db2.gz IUBVGHMQTMDHNR-VIFPVBQESA-N 1 0 292.295 2.152 50 5 CEBARO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccccn2)cc1 ZINC000045945460 175387945 /nfs/dbraw/zinc/38/79/45/175387945.db2.gz PIPIWQSGLIEZTP-UHFFFAOYSA-N 1 0 273.292 2.158 50 5 CEBARO C[C@@]([NH3+])(CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000071893762 176291788 /nfs/dbraw/zinc/29/17/88/176291788.db2.gz QPFDQXOGNGMUAI-GFCCVEGCSA-N 1 0 253.277 2.273 50 5 CEBARO Cc1c(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000078578543 177355967 /nfs/dbraw/zinc/35/59/67/177355967.db2.gz YKEWHAJJUHQYHH-LLVKDONJSA-N 1 0 277.324 2.184 50 5 CEBARO Cc1c(C[NH2+]C2(C(N)=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000078659151 177367883 /nfs/dbraw/zinc/36/78/83/177367883.db2.gz BDWDLIUOKWWTML-UHFFFAOYSA-N 1 0 291.351 2.181 50 5 CEBARO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000408523764 276165053 /nfs/dbraw/zinc/16/50/53/276165053.db2.gz NAAYGBMAEVKXHR-NSHDSACASA-N 1 0 278.356 2.219 50 5 CEBARO C[N+]1(C[C@@H]2CO[C@@H]([C@H]3CC=CCC3)O2)CCCC1 ZINC000004184973 280177600 /nfs/dbraw/zinc/17/76/00/280177600.db2.gz GTRIPFHVSMNOFL-RRFJBIMHSA-N 1 0 252.378 2.325 50 5 CEBARO C[C@@H](CC[N+](C)(C)C)OC(=O)[C@H]1OCCc2ccccc21 ZINC000220132760 717161275 /nfs/dbraw/zinc/16/12/75/717161275.db2.gz VCKFCODGNHIGOS-BBRMVZONSA-N 1 0 292.399 2.328 50 5 CEBARO O=[N+]([O-])c1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000019607338 810741123 /nfs/dbraw/zinc/74/11/23/810741123.db2.gz SBINKGYXGYWIAC-UHFFFAOYSA-N 1 0 280.324 2.086 50 5 CEBARO O=[N+]([O-])c1cccc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042773446 362118466 /nfs/dbraw/zinc/11/84/66/362118466.db2.gz LNTRNZMAXXVFDR-NSHDSACASA-N 1 0 250.298 2.363 50 5 CEBARO CC[N+](CC)(CC)CCn1ncc(Cl)c(Cl)c1=O ZINC000000712227 343351033 /nfs/dbraw/zinc/35/10/33/343351033.db2.gz BRQUUROFSOIBIL-UHFFFAOYSA-N 1 0 293.218 2.427 50 5 CEBARO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(F)c([N+](=O)[O-])c1 ZINC000095430570 364373497 /nfs/dbraw/zinc/37/34/97/364373497.db2.gz RUMPNUYXSCMNSG-SNVBAGLBSA-N 1 0 297.330 2.128 50 5 CEBARO O=[N+]([O-])c1cccc(-c2cn(O)c3c([n+]2=O)CCCC3)c1 ZINC000334157305 285152729 /nfs/dbraw/zinc/15/27/29/285152729.db2.gz KOLHDVMRVDJDNX-UHFFFAOYSA-N 1 0 288.283 2.094 50 5 CEBARO CN(Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000000239833 394449340 /nfs/dbraw/zinc/44/93/40/394449340.db2.gz PNBURNGHHRAYHU-UHFFFAOYSA-N 1 0 263.341 2.121 50 5 CEBARO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000004837624 170027052 /nfs/dbraw/zinc/02/70/52/170027052.db2.gz AZNIRKSODOTVDW-NSHDSACASA-N 1 0 282.340 2.031 50 5 CEBARO O=C(OCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004965049 170046018 /nfs/dbraw/zinc/04/60/18/170046018.db2.gz HCSGKVOJKWHJEK-UHFFFAOYSA-N 1 0 278.308 2.238 50 5 CEBARO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000078562674 177354698 /nfs/dbraw/zinc/35/46/98/177354698.db2.gz FSKNDAKUMQVPEV-CYBMUJFWSA-N 1 0 292.383 2.466 50 5 CEBARO C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000095996026 185060352 /nfs/dbraw/zinc/06/03/52/185060352.db2.gz IYCFHXCRFYYJHY-HIFRSBDPSA-N 1 0 275.352 2.121 50 5 CEBARO C[NH+](C)C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012985459 361414015 /nfs/dbraw/zinc/41/40/15/361414015.db2.gz CMWISTVOJFYLJP-UHFFFAOYSA-N 1 0 280.328 2.057 50 5 CEBARO Cc1ccc(OCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000020118107 361580826 /nfs/dbraw/zinc/58/08/26/361580826.db2.gz PEZSEDFESGWTEY-UHFFFAOYSA-N 1 0 294.351 2.394 50 5 CEBARO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000026720410 361644196 /nfs/dbraw/zinc/64/41/96/361644196.db2.gz KRAOJAXZOBBVMT-JTQLQIEISA-N 1 0 295.368 2.105 50 5 CEBARO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000089937213 364018837 /nfs/dbraw/zinc/01/88/37/364018837.db2.gz XHGWMGDLWDOKIC-DOMZBBRYSA-N 1 0 277.368 2.019 50 5 CEBARO COC(=O)CC[NH+]=c1ccc2nc3ccccc3n(C)c-2c1 ZINC000334157022 206119406 /nfs/dbraw/zinc/11/94/06/206119406.db2.gz IHKNZEBNSLDFNS-UHFFFAOYSA-N 1 0 295.342 2.142 50 5 CEBARO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1CO ZINC000006528516 170210842 /nfs/dbraw/zinc/21/08/42/170210842.db2.gz RJVZKZOXOOVCRK-HZRUHFOJSA-N 1 0 276.336 2.455 50 5 CEBARO O=C(NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000040074569 174187305 /nfs/dbraw/zinc/18/73/05/174187305.db2.gz HYGYZCJMLHLKQO-UHFFFAOYSA-N 1 0 291.351 2.201 50 5 CEBARO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042783030 275037238 /nfs/dbraw/zinc/03/72/38/275037238.db2.gz YZPVLYBLCKJWQP-VIFPVBQESA-N 1 0 256.689 2.379 50 5 CEBARO O=[N+]([O-])c1ccsc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000095986677 275040713 /nfs/dbraw/zinc/04/07/13/275040713.db2.gz KTFGNDYXRDUGAM-LLVKDONJSA-N 1 0 297.380 2.322 50 5 CEBARO CN1CCC[NH+]=C1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004545558 276897907 /nfs/dbraw/zinc/89/79/07/276897907.db2.gz NHQFVQZAKKRMRW-UHFFFAOYSA-N 1 0 296.308 2.287 50 5 CEBARO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000095976597 185050846 /nfs/dbraw/zinc/05/08/46/185050846.db2.gz NDTWQEMKGFYQRQ-OCCSQVGLSA-N 1 0 294.351 2.339 50 5 CEBARO CC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000097033678 185156088 /nfs/dbraw/zinc/15/60/88/185156088.db2.gz UAOXFTQRSKCMOI-PWSUYJOCSA-N 1 0 252.314 2.325 50 5 CEBARO Cc1cc([N+](=O)[O-])cnc1N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000585132659 345005679 /nfs/dbraw/zinc/00/56/79/345005679.db2.gz JXPMZIAGKQEEKN-GJZGRUSLSA-N 1 0 290.367 2.076 50 5 CEBARO COc1cc(C[NH2+]C(C)C)c([N+](=O)[O-])cc1OC ZINC000004685545 361327258 /nfs/dbraw/zinc/32/72/58/361327258.db2.gz GPRLNFHIZJEIDF-UHFFFAOYSA-N 1 0 254.286 2.110 50 5 CEBARO CC(C)[N@@H+]1C[C@H]2C[C@@H]1CN2c1ccc([N+](=O)[O-])cc1 ZINC000095634838 394673550 /nfs/dbraw/zinc/67/35/50/394673550.db2.gz IALOKGJESNPPFT-ZIAGYGMSSA-N 1 0 261.325 2.266 50 5 CEBARO CCC[NH+](CCC)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000002988679 169847212 /nfs/dbraw/zinc/84/72/12/169847212.db2.gz PMQMBNQVHUERAZ-CQSZACIVSA-N 1 0 296.367 2.457 50 5 CEBARO CN1CC[NH+](CCCCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000004842046 170028300 /nfs/dbraw/zinc/02/83/00/170028300.db2.gz UDRUOXLRERGKJA-UHFFFAOYSA-N 1 0 293.367 2.001 50 5 CEBARO C[NH+](C)CC(C)(C)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000008317713 170330640 /nfs/dbraw/zinc/33/06/40/170330640.db2.gz RFBCPUYALFBVJX-UHFFFAOYSA-N 1 0 297.384 2.304 50 5 CEBARO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000078562668 177354631 /nfs/dbraw/zinc/35/46/31/177354631.db2.gz FSKNDAKUMQVPEV-ZDUSSCGKSA-N 1 0 292.383 2.466 50 5 CEBARO C[C@@H](c1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000075147463 327123399 /nfs/dbraw/zinc/12/33/99/327123399.db2.gz MUTNERVGWVMOQA-LBPRGKRZSA-N 1 0 274.324 2.484 50 5 CEBARO C[C@H](CC[N+](C)(C)C)OC(=O)[C@H]1OCCc2ccccc21 ZINC000220132835 717161448 /nfs/dbraw/zinc/16/14/48/717161448.db2.gz VCKFCODGNHIGOS-CJNGLKHVSA-N 1 0 292.399 2.328 50 5 CEBARO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC000047272589 362202872 /nfs/dbraw/zinc/20/28/72/362202872.db2.gz XJAZPHSIBCIAOZ-VXGBXAGGSA-N 1 0 262.313 2.029 50 5 CEBARO COc1cc(NC[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000091483007 180167117 /nfs/dbraw/zinc/16/71/17/180167117.db2.gz KKWKMFPKASSIEX-JTQLQIEISA-N 1 0 297.330 2.496 50 5 CEBARO CC(C)C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000074136784 363298684 /nfs/dbraw/zinc/29/86/84/363298684.db2.gz SPQBKEZHGVOLOH-LBPRGKRZSA-N 1 0 293.367 2.301 50 5 CEBARO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000090182404 364047590 /nfs/dbraw/zinc/04/75/90/364047590.db2.gz GSWYHWURMSRMIW-ZYHUDNBSSA-N 1 0 289.335 2.009 50 5 CEBARO C[N+]1(C[C@@H]2CO[C@H]([C@H]3CC=CCC3)O2)CCCC1 ZINC000004184966 394455474 /nfs/dbraw/zinc/45/54/74/394455474.db2.gz GTRIPFHVSMNOFL-ZNMIVQPWSA-N 1 0 252.378 2.325 50 5 CEBARO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000090843414 394656155 /nfs/dbraw/zinc/65/61/55/394656155.db2.gz LXUBMYSFGRTNKQ-LXIMFEHMSA-N 1 0 270.354 2.012 50 5 CEBARO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004899546 170037756 /nfs/dbraw/zinc/03/77/56/170037756.db2.gz GJHIOWXZFDVUKQ-CQSZACIVSA-N 1 0 285.303 2.103 50 5 CEBARO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1CO ZINC000095941246 185036559 /nfs/dbraw/zinc/03/65/59/185036559.db2.gz HCNLTLGLFDYPIN-STQMWFEESA-N 1 0 294.351 2.114 50 5 CEBARO C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000095996025 185060507 /nfs/dbraw/zinc/06/05/07/185060507.db2.gz IYCFHXCRFYYJHY-UKRRQHHQSA-N 1 0 275.352 2.121 50 5 CEBARO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047272601 362203390 /nfs/dbraw/zinc/20/33/90/362203390.db2.gz CNXZWCQTRAXEIF-GHMZBOCLSA-N 1 0 262.313 2.029 50 5 CEBARO Cc1cc([N+](=O)[O-])cnc1N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000585132660 345005628 /nfs/dbraw/zinc/00/56/28/345005628.db2.gz JXPMZIAGKQEEKN-HUUCEWRRSA-N 1 0 290.367 2.076 50 5 CEBARO O=C(C[NH2+]Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000054552061 362537338 /nfs/dbraw/zinc/53/73/38/362537338.db2.gz KVTPNOGBONKBOL-UHFFFAOYSA-N 1 0 285.303 2.323 50 5 CEBARO Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000090538353 539767980 /nfs/dbraw/zinc/76/79/80/539767980.db2.gz GSRNQLOMVUXTSO-HNNXBMFYSA-N 1 0 286.335 2.377 50 5 CEBARO COC(=O)CCCCCCCC[C@@H](O)C[N+](C)(C)C ZINC000002097440 361228245 /nfs/dbraw/zinc/22/82/45/361228245.db2.gz AWONKJSYPXYORW-CQSZACIVSA-N 1 0 274.425 2.347 50 5 CEBARO C[N+](C)=c1ccc2nc3ccc(N)cc3sc-2c1 ZINC000100042483 364538917 /nfs/dbraw/zinc/53/89/17/364538917.db2.gz HMYISFASHDWPMO-UHFFFAOYSA-O 1 0 256.354 2.015 50 5 CEBARO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000004947934 170044007 /nfs/dbraw/zinc/04/40/07/170044007.db2.gz CITTVJTYGPEOFC-CYBMUJFWSA-N 1 0 264.325 2.332 50 5 CEBARO Cc1ccc([N+](=O)[O-])c(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000004842303 281015249 /nfs/dbraw/zinc/01/52/49/281015249.db2.gz YOWGDBPIQIRHQF-GFCCVEGCSA-N 1 0 280.324 2.051 50 5 CEBARO O=[N+]([O-])c1cccnc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000032779301 361755721 /nfs/dbraw/zinc/75/57/21/361755721.db2.gz TVKFTWROAJJBSV-UHFFFAOYSA-N 1 0 298.346 2.460 50 5 CEBARO C[NH+](C)C(C)(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000032779630 361757415 /nfs/dbraw/zinc/75/74/15/361757415.db2.gz QHSHZMQPLCTXMJ-UHFFFAOYSA-N 1 0 280.328 2.057 50 5 CEBARO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042775652 362118246 /nfs/dbraw/zinc/11/82/46/362118246.db2.gz GBSYHJMDQYWGRL-VIFPVBQESA-N 1 0 256.689 2.379 50 5 CEBARO C[N+]1(C[C@@H]2CO[C@@H](c3ccco3)O2)CCCCC1 ZINC000000348134 361164096 /nfs/dbraw/zinc/16/40/96/361164096.db2.gz LXRGOBYNKBYELR-TZMCWYRMSA-N 1 0 252.334 2.324 50 5 CEBARO COc1ccc(C(=O)OCC[N+]2(C)CCCCC2)cc1 ZINC000003635317 361288046 /nfs/dbraw/zinc/28/80/46/361288046.db2.gz BICHAAWFBSPJHO-UHFFFAOYSA-N 1 0 278.372 2.483 50 5 CEBARO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cccnc2)cc1 ZINC000004624184 361324074 /nfs/dbraw/zinc/32/40/74/361324074.db2.gz UIAXTIGVHWROFO-UHFFFAOYSA-N 1 0 272.308 2.192 50 5 CEBARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000012790886 361400376 /nfs/dbraw/zinc/40/03/76/361400376.db2.gz NAQQGMASTGKJGV-SNVBAGLBSA-N 1 0 277.324 2.068 50 5 CEBARO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000089935436 364019177 /nfs/dbraw/zinc/01/91/77/364019177.db2.gz JNJXTOAIOFXDJM-CHWSQXEVSA-N 1 0 282.365 2.066 50 5 CEBARO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000097111669 364455466 /nfs/dbraw/zinc/45/54/66/364455466.db2.gz HFMHUWXLCGNQRG-ZANVPECISA-N 1 0 268.288 2.391 50 5 CEBARO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)CCC2 ZINC000192966961 285144908 /nfs/dbraw/zinc/14/49/08/285144908.db2.gz FULATJZLRXIPDV-NORZTCDRSA-N 1 0 288.347 2.499 50 5 CEBARO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000002736228 169823625 /nfs/dbraw/zinc/82/36/25/169823625.db2.gz CLWJWEWZEKEIBW-UHFFFAOYSA-N 1 0 293.367 2.365 50 5 CEBARO [NH3+]CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004599162 169988495 /nfs/dbraw/zinc/98/84/95/169988495.db2.gz GPIAUHZGDZGEJK-UHFFFAOYSA-N 1 0 263.219 2.374 50 5 CEBARO CC[NH+](CC)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000004989515 170050015 /nfs/dbraw/zinc/05/00/15/170050015.db2.gz MLMKITLWPXYRCO-UHFFFAOYSA-N 1 0 265.357 2.368 50 5 CEBARO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCC[C@H](C)C1 ZINC000046952351 362192244 /nfs/dbraw/zinc/19/22/44/362192244.db2.gz PVBSOHNLWAHLJX-QWRGUYRKSA-N 1 0 295.339 2.038 50 5 CEBARO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000070038431 363023931 /nfs/dbraw/zinc/02/39/31/363023931.db2.gz TYCUZDCDMBIQQW-SMDDNHRTSA-N 1 0 264.325 2.330 50 5 CEBARO C[C@H](c1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000075147465 363443937 /nfs/dbraw/zinc/44/39/37/363443937.db2.gz MUTNERVGWVMOQA-GFCCVEGCSA-N 1 0 274.324 2.484 50 5 CEBARO C[N+]1(C[C@H](O)COc2ccccc2)CCCCCC1 ZINC000000244009 361151335 /nfs/dbraw/zinc/15/13/35/361151335.db2.gz MILWTPJYQQJHOK-HNNXBMFYSA-N 1 0 264.389 2.447 50 5 CEBARO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000016477480 361489549 /nfs/dbraw/zinc/48/95/49/361489549.db2.gz BKYGDAVTBSSMBV-OAHLLOKOSA-N 1 0 272.304 2.418 50 5 CEBARO CC[C@H](C)[N@H+](CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000585117241 367179227 /nfs/dbraw/zinc/17/92/27/367179227.db2.gz VZNXBCJQOXXJNM-LBPRGKRZSA-N 1 0 266.341 2.496 50 5 CEBARO C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000221747931 370244902 /nfs/dbraw/zinc/24/49/02/370244902.db2.gz IYCFHXCRFYYJHY-ZFWWWQNUSA-N 1 0 275.352 2.121 50 5 CEBARO CC1=CC[N@H+](CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000225602862 370306992 /nfs/dbraw/zinc/30/69/92/370306992.db2.gz TZRIHSXUOJQJCO-UHFFFAOYSA-N 1 0 262.313 2.054 50 5 CEBARO C[N+]1(C[C@H]2CO[C@H](c3ccco3)O2)CCCCC1 ZINC000000348135 169613750 /nfs/dbraw/zinc/61/37/50/169613750.db2.gz LXRGOBYNKBYELR-JSGCOSHPSA-N 1 0 252.334 2.324 50 5 CEBARO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005127883 170068863 /nfs/dbraw/zinc/06/88/63/170068863.db2.gz JXBSDLZLJPIEJN-UWVGGRQHSA-N 1 0 280.284 2.185 50 5 CEBARO Cc1c(NC(=O)[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000078578546 177356331 /nfs/dbraw/zinc/35/63/31/177356331.db2.gz YKEWHAJJUHQYHH-NSHDSACASA-N 1 0 277.324 2.184 50 5 CEBARO Cc1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000952880482 815074774 /nfs/dbraw/zinc/07/47/74/815074774.db2.gz BMNAQAUQCWARJF-CQSZACIVSA-N 1 0 298.346 2.449 50 5 CEBARO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000585118033 813682829 /nfs/dbraw/zinc/68/28/29/813682829.db2.gz VBEWEWPLHWPEJD-RYUDHWBXSA-N 1 0 276.340 2.275 50 5 CEBARO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1CO ZINC000095941245 185035925 /nfs/dbraw/zinc/03/59/25/185035925.db2.gz HCNLTLGLFDYPIN-QWHCGFSZSA-N 1 0 294.351 2.114 50 5 CEBARO CC[C@@](C)(C[NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000097022060 185153996 /nfs/dbraw/zinc/15/39/96/185153996.db2.gz VREOWPDYMYKZHJ-ZDUSSCGKSA-N 1 0 276.296 2.271 50 5 CEBARO C[NH+](C)C[C@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003179929 361267137 /nfs/dbraw/zinc/26/71/37/361267137.db2.gz RDBRCJVRYMAQLH-MNOVXSKESA-N 1 0 296.323 2.465 50 5 CEBARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000089894281 364013342 /nfs/dbraw/zinc/01/33/42/364013342.db2.gz RTJFLALKFPESOZ-YPMHNXCESA-N 1 0 264.325 2.188 50 5 CEBARO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000241132939 370781990 /nfs/dbraw/zinc/78/19/90/370781990.db2.gz JNJXTOAIOFXDJM-QWHCGFSZSA-N 1 0 282.365 2.066 50 5 CEBARO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000228068504 153353817 /nfs/dbraw/zinc/35/38/17/153353817.db2.gz GCLFEVMDWZLKTQ-QWRGUYRKSA-N 1 0 252.314 2.152 50 5 CEBARO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]CC(C)C ZINC000007814139 170304038 /nfs/dbraw/zinc/30/40/38/170304038.db2.gz JSCGOTPKHXGKOK-SNVBAGLBSA-N 1 0 295.339 2.176 50 5 CEBARO Cc1c(C[NH+]2CCC([C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000071897293 176293191 /nfs/dbraw/zinc/29/31/91/176293191.db2.gz QUCNOJPOMHRIGB-LBPRGKRZSA-N 1 0 278.352 2.496 50 5 CEBARO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)[NH2+]1 ZINC000003877890 274594411 /nfs/dbraw/zinc/59/44/11/274594411.db2.gz VUIFYXAJJLSBES-QWRGUYRKSA-N 1 0 286.335 2.330 50 5 CEBARO C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000002618790 277050093 /nfs/dbraw/zinc/05/00/93/277050093.db2.gz CZKPALPIFPNACQ-UHFFFAOYSA-N 1 0 297.742 2.026 50 5 CEBARO CNc1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1 ZINC000012358827 277302946 /nfs/dbraw/zinc/30/29/46/277302946.db2.gz KKGWEPLBCABCDN-UHFFFAOYSA-O 1 0 270.381 2.475 50 5 CEBARO COc1cc2c(cc1OC)[C@H](C)[N@+](C)(C[C@@H](C)O)CC2 ZINC000252441046 277394597 /nfs/dbraw/zinc/39/45/97/277394597.db2.gz CDGPCRFXVCWTDY-PEBVRCNWSA-N 1 0 280.388 2.148 50 5 CEBARO C[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@@H]4[C@@H](CCC1)[C@H]32 ZINC000239274891 525357750 /nfs/dbraw/zinc/35/77/50/525357750.db2.gz AVTHDTNSRLXBOV-YZSKELPQSA-N 1 0 263.405 2.016 50 5 CEBARO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047272602 362203202 /nfs/dbraw/zinc/20/32/02/362203202.db2.gz CNXZWCQTRAXEIF-WDEREUQCSA-N 1 0 262.313 2.029 50 5 CEBARO CC[N+](CC)(CC)CCON1C(=O)c2ccccc2C1=O ZINC000000406813 361170908 /nfs/dbraw/zinc/17/09/08/361170908.db2.gz XQOZCJMYUBSBFR-UHFFFAOYSA-N 1 0 291.371 2.091 50 5 CEBARO COC(=O)CCc1c2ccccc2[nH]c1[N+](C)(C)C ZINC000000409977 361171469 /nfs/dbraw/zinc/17/14/69/361171469.db2.gz MZYQZBNAESZOKV-UHFFFAOYSA-N 1 0 261.345 2.470 50 5 CEBARO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000097111673 364455193 /nfs/dbraw/zinc/45/51/93/364455193.db2.gz HFMHUWXLCGNQRG-TVQRCGJNSA-N 1 0 268.288 2.391 50 5 CEBARO Cc1cc(OC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000014631326 170640403 /nfs/dbraw/zinc/64/04/03/170640403.db2.gz IUXKDKMKTBLXBD-NSHDSACASA-N 1 0 250.298 2.282 50 5 CEBARO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070172748 394586120 /nfs/dbraw/zinc/58/61/20/394586120.db2.gz QXRQEPLAHHTCKG-VXGBXAGGSA-N 1 0 291.351 2.103 50 5 CEBARO CN(C)C(=[NH2+])SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000022727623 171396966 /nfs/dbraw/zinc/39/69/66/171396966.db2.gz SZQACPODXLVBLK-UHFFFAOYSA-N 1 0 297.336 2.191 50 5 CEBARO Cc1c(CN2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000071889228 176290984 /nfs/dbraw/zinc/29/09/84/176290984.db2.gz WUKIROBIUVOELJ-NSHDSACASA-N 1 0 263.341 2.039 50 5 CEBARO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[NH2+]1 ZINC000000228933 274361938 /nfs/dbraw/zinc/36/19/38/274361938.db2.gz HZFONUHGJQMUKR-DTORHVGOSA-N 1 0 269.732 2.435 50 5 CEBARO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000069847661 290157408 /nfs/dbraw/zinc/15/74/08/290157408.db2.gz IHQHNXIBGQDGFC-AAEUAGOBSA-N 1 0 264.325 2.330 50 5 CEBARO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000211268800 538803260 /nfs/dbraw/zinc/80/32/60/538803260.db2.gz LXUBMYSFGRTNKQ-RAALSFIWSA-N 1 0 270.354 2.012 50 5 CEBARO CC(C)[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000012814506 361401785 /nfs/dbraw/zinc/40/17/85/361401785.db2.gz GAUIQHKFJGDUFE-ZDUSSCGKSA-N 1 0 294.355 2.303 50 5 CEBARO CC(C)OCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000013718122 361438712 /nfs/dbraw/zinc/43/87/12/361438712.db2.gz LYHPMYZZQFUURU-UHFFFAOYSA-N 1 0 252.314 2.500 50 5 CEBARO O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)c[n+]2ccccc12 ZINC000017117801 361503947 /nfs/dbraw/zinc/50/39/47/361503947.db2.gz BWAAFPLHTUZISQ-UHFFFAOYSA-O 1 0 268.252 2.101 50 5 CEBARO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000097111670 364455486 /nfs/dbraw/zinc/45/54/86/364455486.db2.gz HFMHUWXLCGNQRG-RNCFNFMXSA-N 1 0 268.288 2.391 50 5 CEBARO OCc1c2c(cc3ccccc31)C[N+]1(C2)CCOCC1 ZINC000000327562 285299061 /nfs/dbraw/zinc/29/90/61/285299061.db2.gz VCNHYXOTSHYCBK-UHFFFAOYSA-N 1 0 270.352 2.193 50 5 CEBARO C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000004004447 394454276 /nfs/dbraw/zinc/45/42/76/394454276.db2.gz PBQHFYMVOTZKJM-IUCAKERBSA-N 1 0 269.732 2.435 50 5 CEBARO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000108371001 394730659 /nfs/dbraw/zinc/73/06/59/394730659.db2.gz BPAKWQSJSPNXLU-NWDGAFQWSA-N 1 0 263.341 2.432 50 5 CEBARO C[NH+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000005930701 170157185 /nfs/dbraw/zinc/15/71/85/170157185.db2.gz CCHQSAGYSQRAKT-UHFFFAOYSA-N 1 0 260.297 2.117 50 5 CEBARO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000035677774 172348250 /nfs/dbraw/zinc/34/82/50/172348250.db2.gz GXTZAIGFWQRDSQ-INIZCTEOSA-N 1 0 286.331 2.461 50 5 CEBARO CC[NH+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000046444085 175396169 /nfs/dbraw/zinc/39/61/69/175396169.db2.gz MPWOVGAMBOXGTR-UHFFFAOYSA-N 1 0 265.313 2.184 50 5 CEBARO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042783029 275037239 /nfs/dbraw/zinc/03/72/39/275037239.db2.gz YZPVLYBLCKJWQP-SECBINFHSA-N 1 0 256.689 2.379 50 5 CEBARO O=[N+]([O-])c1cnccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000066809457 304812465 /nfs/dbraw/zinc/81/24/65/304812465.db2.gz LEMSIIOEFQGHCI-LBPRGKRZSA-N 1 0 276.340 2.054 50 5 CEBARO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222685227 230398401 /nfs/dbraw/zinc/39/84/01/230398401.db2.gz CNXZWCQTRAXEIF-QWRGUYRKSA-N 1 0 262.313 2.029 50 5 CEBARO C[NH+](C)CC(C)(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000032797161 361757433 /nfs/dbraw/zinc/75/74/33/361757433.db2.gz CALIARMTJSHAGI-UHFFFAOYSA-N 1 0 294.355 2.304 50 5 CEBARO [NH3+]CCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004115894 361301134 /nfs/dbraw/zinc/30/11/34/361301134.db2.gz JFANIWXQMKVPKH-UHFFFAOYSA-N 1 0 282.300 2.434 50 5 CEBARO CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000004984005 361330616 /nfs/dbraw/zinc/33/06/16/361330616.db2.gz CSSWGVDTMHAWRI-UHFFFAOYSA-N 1 0 267.304 2.184 50 5 CEBARO O=[N+]([O-])c1cccc(C[NH2+]CCC2=CCOCC2)c1 ZINC000095436199 364376999 /nfs/dbraw/zinc/37/69/99/364376999.db2.gz ODMVTNPYJLBSQN-UHFFFAOYSA-N 1 0 262.309 2.421 50 5 CEBARO CS[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270667533 372890787 /nfs/dbraw/zinc/89/07/87/372890787.db2.gz QLGJJNHTKZGXQJ-UONOGXRCSA-N 1 0 295.408 2.072 50 5 CEBARO CC[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2 ZINC000004581319 169986939 /nfs/dbraw/zinc/98/69/39/169986939.db2.gz YSUYOEMMWTWNOX-GNHJJJEISA-N 1 0 260.357 2.472 50 5 CEBARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000005032860 170058909 /nfs/dbraw/zinc/05/89/09/170058909.db2.gz SGFDXMPBOGSZRP-DOMZBBRYSA-N 1 0 275.352 2.263 50 5 CEBARO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070172749 175877918 /nfs/dbraw/zinc/87/79/18/175877918.db2.gz QXRQEPLAHHTCKG-RYUDHWBXSA-N 1 0 291.351 2.103 50 5 CEBARO NC(=O)c1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000078553649 177354002 /nfs/dbraw/zinc/35/40/02/177354002.db2.gz AFBDRLXMVHUJMN-UHFFFAOYSA-N 1 0 299.330 2.026 50 5 CEBARO Cc1c(C[N@@H+](C)C2CCS(=O)CC2)cccc1[N+](=O)[O-] ZINC000096444977 230374300 /nfs/dbraw/zinc/37/43/00/230374300.db2.gz ONYKILGGCYOUBJ-UHFFFAOYSA-N 1 0 296.392 2.246 50 5 CEBARO Cc1nn(C[N@@H+](C)C(C2CC2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000060374529 362660204 /nfs/dbraw/zinc/66/02/04/362660204.db2.gz MKWGXKXKPMYOML-UHFFFAOYSA-N 1 0 278.356 2.486 50 5 CEBARO C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000072727449 363163427 /nfs/dbraw/zinc/16/34/27/363163427.db2.gz QNJSNSAFVNIKAQ-MRVPVSSYSA-N 1 0 264.281 2.212 50 5 CEBARO C[N@@H+]1CC[C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000192558669 283152290 /nfs/dbraw/zinc/15/22/90/283152290.db2.gz XDJXMUCHBUTNLS-IINYFYTJSA-N 1 0 279.315 2.264 50 5 CEBARO CC[NH+](CC)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000001910370 361223435 /nfs/dbraw/zinc/22/34/35/361223435.db2.gz WOMLHMTYXOOTNA-CMDGGOBGSA-N 1 0 291.351 2.066 50 5 CEBARO O=[N+]([O-])c1cccc(COC[C@@H]2CCC[NH2+]C2)c1 ZINC000014631145 361458874 /nfs/dbraw/zinc/45/88/74/361458874.db2.gz YITQZBWMQTVTSL-GFCCVEGCSA-N 1 0 250.298 2.111 50 5 CEBARO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000089935435 364019280 /nfs/dbraw/zinc/01/92/80/364019280.db2.gz JNJXTOAIOFXDJM-OLZOCXBDSA-N 1 0 282.365 2.066 50 5 CEBARO C[C@H]([NH2+][C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000097038552 364428547 /nfs/dbraw/zinc/42/85/47/364428547.db2.gz LPGOJGXFGVFPPW-GXFFZTMASA-N 1 0 250.298 2.424 50 5 CEBARO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH2+]CC1 ZINC000003887662 285085107 /nfs/dbraw/zinc/08/51/07/285085107.db2.gz YOBUPGXTLFRIJD-UHFFFAOYSA-N 1 0 275.230 2.023 50 5 CEBARO CCCC[C@H](CC)[C@H]1OC[C@H](C[N+]2(C)CCOCC2)O1 ZINC000004184926 169942002 /nfs/dbraw/zinc/94/20/02/169942002.db2.gz PFBYGNWQTPOBMO-JYJNAYRXSA-N 1 0 286.436 2.421 50 5 CEBARO C[NH+](C)C(C)(C)CNC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000040067753 174186241 /nfs/dbraw/zinc/18/62/41/174186241.db2.gz IDDWKRKJVPCJAC-UHFFFAOYSA-N 1 0 280.328 2.057 50 5 CEBARO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3ccccc3C2)nc1 ZINC000040067607 174186283 /nfs/dbraw/zinc/18/62/83/174186283.db2.gz FJZRKLTUEATWEM-UHFFFAOYSA-N 1 0 298.346 2.460 50 5 CEBARO C[C@@H](O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071897307 176293105 /nfs/dbraw/zinc/29/31/05/176293105.db2.gz JNIRGWDSBQHSAA-GFCCVEGCSA-N 1 0 278.352 2.230 50 5 CEBARO O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)cc1C(F)(F)F ZINC000015443719 275036019 /nfs/dbraw/zinc/03/60/19/275036019.db2.gz WYRYLUUFJFOKCK-UHFFFAOYSA-N 1 0 289.257 2.413 50 5 CEBARO O=[N+]([O-])c1ccc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000042783031 275037347 /nfs/dbraw/zinc/03/73/47/275037347.db2.gz PCNUXVIJDJBNSB-UHFFFAOYSA-N 1 0 256.689 2.379 50 5 CEBARO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000003877883 277916223 /nfs/dbraw/zinc/91/62/23/277916223.db2.gz CNBXACPESICDFY-DTORHVGOSA-N 1 0 269.732 2.435 50 5 CEBARO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000090843415 278209017 /nfs/dbraw/zinc/20/90/17/278209017.db2.gz LXUBMYSFGRTNKQ-AUSHCKSDSA-N 1 0 270.354 2.012 50 5 CEBARO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024803360 278253755 /nfs/dbraw/zinc/25/37/55/278253755.db2.gz MBAKWSQHMKUNNO-LBPRGKRZSA-N 1 0 291.351 2.199 50 5 CEBARO COCC[N@@H+]1CC[C@@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000095973715 185050247 /nfs/dbraw/zinc/05/02/47/185050247.db2.gz OAYRNJYCOBCRLW-ZDUSSCGKSA-N 1 0 293.367 2.283 50 5 CEBARO CC(=O)N(CC[N+](C)(C)C)c1ccc(C(F)(F)F)cn1 ZINC000091695677 180229437 /nfs/dbraw/zinc/22/94/37/180229437.db2.gz MWFUFMIZWCSTEX-UHFFFAOYSA-N 1 0 290.309 2.160 50 5 CEBARO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000012799697 361401051 /nfs/dbraw/zinc/40/10/51/361401051.db2.gz KXONYNJJSMHISW-UHFFFAOYSA-N 1 0 291.351 2.458 50 5 CEBARO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000089894278 364013608 /nfs/dbraw/zinc/01/36/08/364013608.db2.gz RTJFLALKFPESOZ-WCQYABFASA-N 1 0 264.325 2.188 50 5 CEBARO O=[N+]([O-])c1cnc(NC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236051837 189832230 /nfs/dbraw/zinc/83/22/30/189832230.db2.gz RJELRIXSSNSRFR-QMMMGPOBSA-N 1 0 270.720 2.055 50 5 CEBARO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012557648 394463162 /nfs/dbraw/zinc/46/31/62/394463162.db2.gz SRNJDNLXPRTZRW-UHFFFAOYSA-N 1 0 286.335 2.285 50 5 CEBARO C[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003179927 169865612 /nfs/dbraw/zinc/86/56/12/169865612.db2.gz RDBRCJVRYMAQLH-GHMZBOCLSA-N 1 0 296.323 2.465 50 5 CEBARO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000020522715 171235530 /nfs/dbraw/zinc/23/55/30/171235530.db2.gz MBUHSMPFSBDIBR-OAHLLOKOSA-N 1 0 272.304 2.418 50 5 CEBARO CC[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000022591941 171393459 /nfs/dbraw/zinc/39/34/59/171393459.db2.gz WRIGNECLGKDBLI-UHFFFAOYSA-N 1 0 283.759 2.386 50 5 CEBARO Cc1ccnc(N2CC[C@@H](CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000904217386 635515452 /nfs/dbraw/zinc/51/54/52/635515452.db2.gz CDXGBIAJUYCKHG-GFCCVEGCSA-N 1 0 278.356 2.076 50 5 CEBARO Cc1cc([N+](=O)[O-])cnc1N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000585132658 345005648 /nfs/dbraw/zinc/00/56/48/345005648.db2.gz JXPMZIAGKQEEKN-GASCZTMLSA-N 1 0 290.367 2.076 50 5 CEBARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069780169 363000214 /nfs/dbraw/zinc/00/02/14/363000214.db2.gz PQADJTWGONLIHB-OLZOCXBDSA-N 1 0 294.351 2.209 50 5 CEBARO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000071792578 363114852 /nfs/dbraw/zinc/11/48/52/363114852.db2.gz CSWBLMXWYITGOB-UHFFFAOYSA-N 1 0 299.321 2.414 50 5 CEBARO C[NH+](C)C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003179931 361267249 /nfs/dbraw/zinc/26/72/49/361267249.db2.gz RDBRCJVRYMAQLH-QWRGUYRKSA-N 1 0 296.323 2.465 50 5 CEBARO CCCC[C@H](CC)[C@@H]1OC[C@@H](C[N+]2(C)CCOCC2)O1 ZINC000013496312 361429332 /nfs/dbraw/zinc/42/93/32/361429332.db2.gz PFBYGNWQTPOBMO-ARFHVFGLSA-N 1 0 286.436 2.421 50 5 CEBARO CCN1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000013731762 361439675 /nfs/dbraw/zinc/43/96/75/361439675.db2.gz JXOFOQBMYCODJN-CQSZACIVSA-N 1 0 263.341 2.169 50 5 CEBARO CC(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000024990449 361617591 /nfs/dbraw/zinc/61/75/91/361617591.db2.gz KVSIGHRZMSBCGI-ZDUSSCGKSA-N 1 0 294.355 2.303 50 5 CEBARO Cc1c([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000097370958 364493089 /nfs/dbraw/zinc/49/30/89/364493089.db2.gz GYBQPIHJKBOOOA-RWMBFGLXSA-N 1 0 276.336 2.491 50 5 CEBARO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000242197041 370786727 /nfs/dbraw/zinc/78/67/27/370786727.db2.gz XHGWMGDLWDOKIC-IUODEOHRSA-N 1 0 277.368 2.019 50 5 CEBARO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247303140 371090088 /nfs/dbraw/zinc/09/00/88/371090088.db2.gz FTCFPSMNLSGRMV-AWEZNQCLSA-N 1 0 261.325 2.269 50 5 CEBARO O=[N+]([O-])c1cccnc1N1CC[NH+](C2CCCC2)CC1 ZINC000032779324 285165977 /nfs/dbraw/zinc/16/59/77/285165977.db2.gz HWEKVJXBFJJLSR-UHFFFAOYSA-N 1 0 276.340 2.054 50 5 CEBARO CC[N+](C)(CC)CCNC(=O)c1cc2ccccc2[nH]1 ZINC000004723794 170005834 /nfs/dbraw/zinc/00/58/34/170005834.db2.gz WVSGAEUEXKZOLZ-UHFFFAOYSA-O 1 0 274.388 2.384 50 5 CEBARO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000004837623 170026978 /nfs/dbraw/zinc/02/69/78/170026978.db2.gz AZNIRKSODOTVDW-LLVKDONJSA-N 1 0 282.340 2.031 50 5 CEBARO C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078578677 177356284 /nfs/dbraw/zinc/35/62/84/177356284.db2.gz HEYHNLALLKLGOH-UHFFFAOYSA-N 1 0 291.351 2.057 50 5 CEBARO [NH3+][C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005127879 274961913 /nfs/dbraw/zinc/96/19/13/274961913.db2.gz JXBSDLZLJPIEJN-VHSXEESVSA-N 1 0 280.284 2.185 50 5 CEBARO CC1(C)CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC000212604755 275850840 /nfs/dbraw/zinc/85/08/40/275850840.db2.gz BKJJCXLTCQKKNT-UHFFFAOYSA-N 1 0 286.335 2.331 50 5 CEBARO Cn1c(-c2ccc([N+](=O)[O-])cc2)c[n+]2ccccc12 ZINC000000337557 280180623 /nfs/dbraw/zinc/18/06/23/280180623.db2.gz KDYFVLGUKIGTDA-UHFFFAOYSA-N 1 0 254.269 2.339 50 5 CEBARO CC(C)[C@@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000095949102 185039465 /nfs/dbraw/zinc/03/94/65/185039465.db2.gz GLSDCQNTGZTMKJ-OCCSQVGLSA-N 1 0 296.367 2.311 50 5 CEBARO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000239667134 344609369 /nfs/dbraw/zinc/60/93/69/344609369.db2.gz BPAKWQSJSPNXLU-VXGBXAGGSA-N 1 0 263.341 2.432 50 5 CEBARO Cc1c(NC(=O)NCC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000585140753 345007914 /nfs/dbraw/zinc/00/79/14/345007914.db2.gz KKGJIOUAWXCWDG-UHFFFAOYSA-N 1 0 292.339 2.119 50 5 CEBARO C[N@H+](CCOC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000002927578 361259310 /nfs/dbraw/zinc/25/93/10/361259310.db2.gz BFQZTDVVCWZWIF-UHFFFAOYSA-N 1 0 280.324 2.482 50 5 CEBARO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccco2)cc1 ZINC000003001139 361261311 /nfs/dbraw/zinc/26/13/11/361261311.db2.gz OOTPDXYPYJXOPS-UHFFFAOYSA-N 1 0 262.265 2.356 50 5 CEBARO CCN1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000013732545 361439984 /nfs/dbraw/zinc/43/99/84/361439984.db2.gz CVZHNYKJJZTPTG-AWEZNQCLSA-N 1 0 263.341 2.169 50 5 CEBARO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000093634027 364204881 /nfs/dbraw/zinc/20/48/81/364204881.db2.gz PYHYLCYDGYVKGM-UHFFFAOYSA-N 1 0 284.743 2.451 50 5 CEBARO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)c(F)c1 ZINC000084351193 135032799 /nfs/dbraw/zinc/03/27/99/135032799.db2.gz RYQBIHNUOSVNDB-UHFFFAOYSA-N 1 0 279.315 2.455 50 5 CEBARO C[NH+]1CCC(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009723841 170385145 /nfs/dbraw/zinc/38/51/45/170385145.db2.gz QZUMQUBYWMQAOD-QPJJXVBHSA-N 1 0 290.319 2.245 50 5 CEBARO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000020652770 171269025 /nfs/dbraw/zinc/26/90/25/171269025.db2.gz ADLSEZMBGVDYIG-RYUDHWBXSA-N 1 0 280.324 2.083 50 5 CEBARO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000071905265 176296341 /nfs/dbraw/zinc/29/63/41/176296341.db2.gz WXFSDFQSZSHBFD-UHFFFAOYSA-N 1 0 279.340 2.118 50 5 CEBARO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000069847664 363008688 /nfs/dbraw/zinc/00/86/88/363008688.db2.gz IHQHNXIBGQDGFC-WCQYABFASA-N 1 0 264.325 2.330 50 5 CEBARO CSc1nc2sc3c(c2c(N)n1)CC[N+](C)(C)C3 ZINC000000496104 361181604 /nfs/dbraw/zinc/18/16/04/361181604.db2.gz KKKJTNSSROYSFU-UHFFFAOYSA-N 1 0 281.430 2.128 50 5 CEBARO O=[N+]([O-])c1ccc(OCCCCC[NH+]2CCOCC2)cc1 ZINC000019607600 361545259 /nfs/dbraw/zinc/54/52/59/361545259.db2.gz QTKPBWWPUDOQGJ-UHFFFAOYSA-N 1 0 294.351 2.476 50 5 CEBARO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282587886 375523726 /nfs/dbraw/zinc/52/37/26/375523726.db2.gz WSQDKIMAEKSTPG-LBPRGKRZSA-N 1 0 270.304 2.231 50 5 CEBARO O=[N+]([O-])c1cc2c(cc1Br)C[NH2+]CC2 ZINC000095495803 285098270 /nfs/dbraw/zinc/09/82/70/285098270.db2.gz MLIZUKAIRKGUIM-UHFFFAOYSA-N 1 0 257.087 2.003 50 5 CEBARO O=C(OCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000004965048 170046077 /nfs/dbraw/zinc/04/60/77/170046077.db2.gz FEGMIBDDEIQHPE-UHFFFAOYSA-N 1 0 278.308 2.238 50 5 CEBARO CC[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000004988051 170049249 /nfs/dbraw/zinc/04/92/49/170049249.db2.gz SLNGTTMFTBPUNW-FNORWQNLSA-N 1 0 275.352 2.246 50 5 CEBARO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]CC(C)C ZINC000007814138 170304044 /nfs/dbraw/zinc/30/40/44/170304044.db2.gz JSCGOTPKHXGKOK-JTQLQIEISA-N 1 0 295.339 2.176 50 5 CEBARO C[NH+](C)CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000069492700 362974166 /nfs/dbraw/zinc/97/41/66/362974166.db2.gz QENBHPUBWHXBQJ-UHFFFAOYSA-N 1 0 283.397 2.430 50 5 CEBARO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070172747 363046442 /nfs/dbraw/zinc/04/64/42/363046442.db2.gz QXRQEPLAHHTCKG-NEPJUHHUSA-N 1 0 291.351 2.103 50 5 CEBARO C[NH+](C)CCOC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583078 361322998 /nfs/dbraw/zinc/32/29/98/361322998.db2.gz KEJRKQHCLQMGBS-UHFFFAOYSA-N 1 0 287.703 2.358 50 5 CEBARO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[NH2+]CC1 ZINC000003877859 285089878 /nfs/dbraw/zinc/08/98/78/285089878.db2.gz KLZCNMVBZDWQIE-UHFFFAOYSA-N 1 0 255.705 2.048 50 5 CEBARO O=[N+]([O-])c1ccc(Br)c2c1C[NH2+]CC2 ZINC000047844064 285109875 /nfs/dbraw/zinc/10/98/75/285109875.db2.gz WCDWDZBUTSPUKU-UHFFFAOYSA-N 1 0 257.087 2.003 50 5 CEBARO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000071907938 176297051 /nfs/dbraw/zinc/29/70/51/176297051.db2.gz IAEFHCWRABXMAW-CQSZACIVSA-N 1 0 278.352 2.496 50 5 CEBARO C[N+]1(C[C@@H]2CO[C@H]([C@@H]3CC=CCC3)O2)CCCC1 ZINC000169703088 278573185 /nfs/dbraw/zinc/57/31/85/278573185.db2.gz GTRIPFHVSMNOFL-KFWWJZLASA-N 1 0 252.378 2.325 50 5 CEBARO Cc1cccc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000225459242 281229675 /nfs/dbraw/zinc/22/96/75/281229675.db2.gz LOHYAEWVCGGJOD-ZDUSSCGKSA-N 1 0 273.336 2.354 50 5 CEBARO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000097036904 185166140 /nfs/dbraw/zinc/16/61/40/185166140.db2.gz ZGYHYBOGRKZTPE-AWEZNQCLSA-N 1 0 298.346 2.358 50 5 CEBARO CNc1ccc(C[NH2+]C2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000058440314 362629538 /nfs/dbraw/zinc/62/95/38/362629538.db2.gz PDPAGCPVFSJTAU-UHFFFAOYSA-N 1 0 279.340 2.030 50 5 CEBARO CNc1ccc(C[NH2+]CCc2ccccn2)cc1[N+](=O)[O-] ZINC000069705887 362993362 /nfs/dbraw/zinc/99/33/62/362993362.db2.gz CIPRQCSGPHDTNI-UHFFFAOYSA-N 1 0 286.335 2.364 50 5 CEBARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000012804087 361400655 /nfs/dbraw/zinc/40/06/55/361400655.db2.gz OOGCEBOIIPQYGL-QWRGUYRKSA-N 1 0 291.351 2.172 50 5 CEBARO CCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000225577120 370304780 /nfs/dbraw/zinc/30/47/80/370304780.db2.gz FCTDBJAYEBZRJW-UHFFFAOYSA-N 1 0 274.324 2.409 50 5 CEBARO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042783043 285086505 /nfs/dbraw/zinc/08/65/05/285086505.db2.gz RPHXMUIBHJRGLL-MRVPVSSYSA-N 1 0 276.214 2.354 50 5 CEBARO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000022754679 171397114 /nfs/dbraw/zinc/39/71/14/171397114.db2.gz NUMJNAAWCYPRJL-AWEZNQCLSA-N 1 0 293.367 2.219 50 5 CEBARO CCC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000040464796 174274435 /nfs/dbraw/zinc/27/44/35/174274435.db2.gz JAMMMLUULLHVPE-UHFFFAOYSA-N 1 0 264.329 2.276 50 5 CEBARO O=[N+]([O-])c1ccccc1OCCC1CC[NH2+]CC1 ZINC000042773564 174872685 /nfs/dbraw/zinc/87/26/85/174872685.db2.gz QOIHAJFKHJYWDV-UHFFFAOYSA-N 1 0 250.298 2.363 50 5 CEBARO Cc1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000952880477 815075193 /nfs/dbraw/zinc/07/51/93/815075193.db2.gz BMNAQAUQCWARJF-AWEZNQCLSA-N 1 0 298.346 2.449 50 5 CEBARO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000096009761 185065125 /nfs/dbraw/zinc/06/51/25/185065125.db2.gz MSMJYDCOQBSJLG-XQQFMLRXSA-N 1 0 294.351 2.207 50 5 CEBARO O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000042773460 362118363 /nfs/dbraw/zinc/11/83/63/362118363.db2.gz LNQHIZLNPQAZHZ-UHFFFAOYSA-N 1 0 250.298 2.363 50 5 CEBARO COc1cc(NC[C@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000091483004 180167386 /nfs/dbraw/zinc/16/73/86/180167386.db2.gz KKWKMFPKASSIEX-SNVBAGLBSA-N 1 0 297.330 2.496 50 5 CEBARO CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000108339475 186213328 /nfs/dbraw/zinc/21/33/28/186213328.db2.gz GLSDCQNTGZTMKJ-TZMCWYRMSA-N 1 0 296.367 2.311 50 5 CEBARO C[N+]1(Cc2ccc(C(F)(F)F)o2)CCOCC1 ZINC000670425659 540403432 /nfs/dbraw/zinc/40/34/32/540403432.db2.gz XZXQKHSWBSPGLT-UHFFFAOYSA-N 1 0 250.240 2.275 50 5 CEBARO O=[N+]([O-])c1ccccc1CN1CCN(c2ccccn2)CC1 ZINC000004978363 361330750 /nfs/dbraw/zinc/33/07/50/361330750.db2.gz ULYPKTSOBGREPB-UHFFFAOYSA-N 1 0 298.346 2.312 50 5 CEBARO Cc1cc(OCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000014631509 361459197 /nfs/dbraw/zinc/45/91/97/361459197.db2.gz LTJKFOZFTLKEIG-UHFFFAOYSA-N 1 0 250.298 2.282 50 5 CEBARO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000089894280 364013418 /nfs/dbraw/zinc/01/34/18/364013418.db2.gz RTJFLALKFPESOZ-AAEUAGOBSA-N 1 0 264.325 2.188 50 5 CEBARO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000095435722 364377233 /nfs/dbraw/zinc/37/72/33/364377233.db2.gz IOXQXNWEQUZDQN-AWEZNQCLSA-N 1 0 298.346 2.358 50 5 CEBARO CC(C)[N@H+]1[C@@H]2C[C@H]1CN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000215980207 419461694 /nfs/dbraw/zinc/46/16/94/419461694.db2.gz IEQGFYAVJRGMBA-OKILXGFUSA-N 1 0 261.325 2.266 50 5 CEBARO C[NH+]1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000310705312 262170872 /nfs/dbraw/zinc/17/08/72/262170872.db2.gz CIQKTBJFGNHGDN-UHFFFAOYSA-N 1 0 270.720 2.149 50 5 CEBARO COCC[N@@H+]1CC[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000095973716 185049776 /nfs/dbraw/zinc/04/97/76/185049776.db2.gz OAYRNJYCOBCRLW-CYBMUJFWSA-N 1 0 293.367 2.283 50 5 CEBARO O=[N+]([O-])c1cccc(-c2csc(N3CC[NH2+]CC3)n2)c1 ZINC000041107700 362018658 /nfs/dbraw/zinc/01/86/58/362018658.db2.gz WOEAJVJEXHZGTL-UHFFFAOYSA-N 1 0 290.348 2.128 50 5 CEBARO COc1ccc(NC(C=C[NH+](C)C)=C[N+](=O)[O-])cc1 ZINC000075284261 343845066 /nfs/dbraw/zinc/84/50/66/343845066.db2.gz GPOSIBHMHQMMLR-LVQHWDRTSA-N 1 0 263.297 2.301 50 5 CEBARO Cc1ccnc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133551949 366235096 /nfs/dbraw/zinc/23/50/96/366235096.db2.gz FGDPXEMIHPAZRY-QWRGUYRKSA-N 1 0 276.340 2.335 50 5 CEBARO C[N+]1(C[C@@H](O)COc2ccccc2)CCCCCC1 ZINC000000244011 361151731 /nfs/dbraw/zinc/15/17/31/361151731.db2.gz MILWTPJYQQJHOK-OAHLLOKOSA-N 1 0 264.389 2.447 50 5 CEBARO O=[N+]([O-])c1cnccc1Nc1cccc(C2=[NH+]CCN2)c1 ZINC000004187634 361303889 /nfs/dbraw/zinc/30/38/89/361303889.db2.gz AAWOAGQVCBMBKO-UHFFFAOYSA-N 1 0 283.291 2.083 50 5 CEBARO CCC[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000089959097 364022429 /nfs/dbraw/zinc/02/24/29/364022429.db2.gz CWNQITCZIJWVRH-UHFFFAOYSA-N 1 0 292.339 2.154 50 5 CEBARO O=[N+]([O-])c1c(F)cccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247324522 285076922 /nfs/dbraw/zinc/07/69/22/285076922.db2.gz NBEUELQXGUCDBO-NSHDSACASA-N 1 0 279.315 2.408 50 5 CEBARO CC(=O)c1ccc(NC2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000521394141 256854974 /nfs/dbraw/zinc/85/49/74/256854974.db2.gz NFZDWJVNYCFHJP-UHFFFAOYSA-N 1 0 277.324 2.302 50 5 CEBARO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000004406361 274362961 /nfs/dbraw/zinc/36/29/61/274362961.db2.gz XPYGLMJMRRVFAU-MRVPVSSYSA-N 1 0 289.257 2.412 50 5 CEBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1C(F)(F)F ZINC000008700963 275036653 /nfs/dbraw/zinc/03/66/53/275036653.db2.gz GGXGAQDEUXECHQ-UHFFFAOYSA-N 1 0 275.230 2.023 50 5 CEBARO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000048462340 362272764 /nfs/dbraw/zinc/27/27/64/362272764.db2.gz ZTBNRSAVTCMMFO-UHFFFAOYSA-N 1 0 267.304 2.264 50 5 CEBARO Cc1cc([N+](=O)[O-])cnc1N1CCC(C)([NH+](C)C)CC1 ZINC000585132799 345005864 /nfs/dbraw/zinc/00/58/64/345005864.db2.gz WOABKDMUKOUJLH-UHFFFAOYSA-N 1 0 278.356 2.219 50 5 CEBARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000070038430 363023216 /nfs/dbraw/zinc/02/32/16/363023216.db2.gz TYCUZDCDMBIQQW-RISCZKNCSA-N 1 0 264.325 2.330 50 5 CEBARO CC[NH+](CC)CCOCCOc1ccccc1[N+](=O)[O-] ZINC000002895221 361258062 /nfs/dbraw/zinc/25/80/62/361258062.db2.gz VKUNCSYLBWDVAB-UHFFFAOYSA-N 1 0 282.340 2.332 50 5 CEBARO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000252725442 371472924 /nfs/dbraw/zinc/47/29/24/371472924.db2.gz HUCWGHZBKBIZAQ-ZIAGYGMSSA-N 1 0 264.325 2.330 50 5 CEBARO Cc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280523515 375231708 /nfs/dbraw/zinc/23/17/08/375231708.db2.gz BFWMPVLQXZQSIC-HXUWFJFHSA-N 1 0 296.392 2.294 50 5 CEBARO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000226902691 394471768 /nfs/dbraw/zinc/47/17/68/394471768.db2.gz ADNDXXPCPCNSIC-OAHLLOKOSA-N 1 0 298.346 2.483 50 5 CEBARO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228068490 153355933 /nfs/dbraw/zinc/35/59/33/153355933.db2.gz GCLFEVMDWZLKTQ-WDEREUQCSA-N 1 0 252.314 2.152 50 5 CEBARO Cc1ccc(OCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000004845511 170029447 /nfs/dbraw/zinc/02/94/47/170029447.db2.gz PSDBXMQILRHOAL-UHFFFAOYSA-N 1 0 250.298 2.378 50 5 CEBARO CCC(C)(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000007985928 170312135 /nfs/dbraw/zinc/31/21/35/170312135.db2.gz PSWLCTCEMMZZDY-UHFFFAOYSA-N 1 0 295.339 2.320 50 5 CEBARO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[N@H+](C)C1 ZINC000078552717 177353225 /nfs/dbraw/zinc/35/32/25/177353225.db2.gz WQHGMLJTGHPMSU-LBPRGKRZSA-N 1 0 293.367 2.035 50 5 CEBARO C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000003998706 279878525 /nfs/dbraw/zinc/87/85/25/279878525.db2.gz NECMVUPTUANASG-QMMMGPOBSA-N 1 0 255.705 2.046 50 5 CEBARO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000097032969 185155942 /nfs/dbraw/zinc/15/59/42/185155942.db2.gz PQFXMRJBNBCDFJ-NSHDSACASA-N 1 0 260.297 2.142 50 5 CEBARO O=[N+]([O-])c1ccc(CC[NH+]2CCSCC2)cc1 ZINC000069871291 363008993 /nfs/dbraw/zinc/00/89/93/363008993.db2.gz ONDOWHRBNKZXGQ-UHFFFAOYSA-N 1 0 252.339 2.186 50 5 CEBARO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000179139502 189172573 /nfs/dbraw/zinc/17/25/73/189172573.db2.gz BPBVLQUVMQDMSR-ZDUSSCGKSA-N 1 0 278.308 2.122 50 5 CEBARO C[NH+](C)CCCNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000003896371 361293136 /nfs/dbraw/zinc/29/31/36/361293136.db2.gz PKXLBHAGDOATFG-UHFFFAOYSA-N 1 0 291.307 2.065 50 5 CEBARO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000024208473 361607283 /nfs/dbraw/zinc/60/72/83/361607283.db2.gz ACHHTTXFJFKTLA-UHFFFAOYSA-N 1 0 278.356 2.299 50 5 CEBARO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000089894282 364013522 /nfs/dbraw/zinc/01/35/22/364013522.db2.gz FEVLYJRVPNWSPI-WCQYABFASA-N 1 0 264.325 2.188 50 5 CEBARO C[C@@H]([NH2+][C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000097038557 364429247 /nfs/dbraw/zinc/42/92/47/364429247.db2.gz LPGOJGXFGVFPPW-MFKMUULPSA-N 1 0 250.298 2.424 50 5 CEBARO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248470434 371200152 /nfs/dbraw/zinc/20/01/52/371200152.db2.gz VCKWMKACUHPTIA-AGIUHOORSA-N 1 0 294.351 2.065 50 5 CEBARO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([NH2+]C2CC2)CC1 ZINC000095973490 285091266 /nfs/dbraw/zinc/09/12/66/285091266.db2.gz LBEVAYBNIGIZCN-UHFFFAOYSA-N 1 0 296.758 2.364 50 5 CEBARO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC[C@H]1CO ZINC000006667544 170224326 /nfs/dbraw/zinc/22/43/26/170224326.db2.gz RJVZKZOXOOVCRK-DYLGSBMWSA-N 1 0 276.336 2.455 50 5 CEBARO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCCCC2)c1 ZINC000021317649 171302704 /nfs/dbraw/zinc/30/27/04/171302704.db2.gz RFYGFKRIQZOYJC-UHFFFAOYSA-N 1 0 260.297 2.388 50 5 CEBARO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000408523763 276165016 /nfs/dbraw/zinc/16/50/16/276165016.db2.gz NAAYGBMAEVKXHR-LLVKDONJSA-N 1 0 278.356 2.219 50 5 CEBARO CC(C)C[NH2+]C[C@@H]1OCc2ccc([N+](=O)[O-])cc2CO1 ZINC000027577346 277422606 /nfs/dbraw/zinc/42/26/06/277422606.db2.gz UJECGNFUBFBMRR-CQSZACIVSA-N 1 0 280.324 2.213 50 5 CEBARO CC[NH+](CC)CCNc1ccc2nsnc2c1[N+](=O)[O-] ZINC000004358960 622739530 /nfs/dbraw/zinc/73/95/30/622739530.db2.gz HSGHJVTYQZAALK-UHFFFAOYSA-N 1 0 295.368 2.353 50 5 CEBARO O=[N+]([O-])c1cnccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000066809458 362885782 /nfs/dbraw/zinc/88/57/82/362885782.db2.gz LEMSIIOEFQGHCI-GFCCVEGCSA-N 1 0 276.340 2.054 50 5 CEBARO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(F)cc(F)c1 ZINC000090539506 539768544 /nfs/dbraw/zinc/76/85/44/539768544.db2.gz BVPOPMLOCNHQIA-SECBINFHSA-N 1 0 296.277 2.420 50 5 CEBARO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000016477511 361489468 /nfs/dbraw/zinc/48/94/68/361489468.db2.gz SQFOVFKGMZFWJN-HNNXBMFYSA-N 1 0 272.304 2.418 50 5 CEBARO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000097111674 364455181 /nfs/dbraw/zinc/45/51/81/364455181.db2.gz HFMHUWXLCGNQRG-NOZJJQNGSA-N 1 0 268.288 2.391 50 5 CEBARO C[C@@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000097146719 364465444 /nfs/dbraw/zinc/46/54/44/364465444.db2.gz KWQYXLYMDNCCQQ-WOPDTQHZSA-N 1 0 266.345 2.206 50 5 CEBARO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12 ZINC000225363493 370291696 /nfs/dbraw/zinc/29/16/96/370291696.db2.gz FQXVZVWNLNTZOY-GMXVVIOVSA-N 1 0 295.770 2.417 50 5 CEBARO CC(=O)c1ccc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000314851714 256857606 /nfs/dbraw/zinc/85/76/06/256857606.db2.gz DPRRXNHTHZAVNC-GXFFZTMASA-N 1 0 291.351 2.326 50 5 CEBARO O=[N+]([O-])c1ccc(/C=C2\[C@H](O)C3CC[NH+]2CC3)cc1 ZINC000004833278 296502863 /nfs/dbraw/zinc/50/28/63/296502863.db2.gz KWXOJIBUTPSKRN-KADHNRKRSA-N 1 0 260.293 2.022 50 5 CEBARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000004978093 170047905 /nfs/dbraw/zinc/04/79/05/170047905.db2.gz FQLARNHBJUNWLM-CYBMUJFWSA-N 1 0 292.335 2.370 50 5 CEBARO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070172750 278745248 /nfs/dbraw/zinc/74/52/48/278745248.db2.gz QXRQEPLAHHTCKG-NWDGAFQWSA-N 1 0 291.351 2.103 50 5 CEBARO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000585118034 813682838 /nfs/dbraw/zinc/68/28/38/813682838.db2.gz VBEWEWPLHWPEJD-VXGBXAGGSA-N 1 0 276.340 2.275 50 5 CEBARO O=[N+]([O-])c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773468 362118899 /nfs/dbraw/zinc/11/88/99/362118899.db2.gz YFZKAGQWHZZIKK-LLVKDONJSA-N 1 0 250.298 2.363 50 5 CEBARO NC(=O)c1cccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000072275607 363125859 /nfs/dbraw/zinc/12/58/59/363125859.db2.gz XVQNHICEZPSFMX-UHFFFAOYSA-N 1 0 299.330 2.026 50 5 CEBARO Cc1ccnc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133551744 366235261 /nfs/dbraw/zinc/23/52/61/366235261.db2.gz FGDPXEMIHPAZRY-WDEREUQCSA-N 1 0 276.340 2.335 50 5 CEBARO CC[N+](C)(C)C[C@@H](C)OC(=O)c1ccc(OC)cc1 ZINC000003635314 361287049 /nfs/dbraw/zinc/28/70/49/361287049.db2.gz WPOBRFNRVXZNGH-GFCCVEGCSA-N 1 0 266.361 2.337 50 5 CEBARO CC[NH+]1CCN(CCCOc2ccccc2[N+](=O)[O-])CC1 ZINC000002862654 361255773 /nfs/dbraw/zinc/25/57/73/361255773.db2.gz FJJMLGGPFMKWKC-UHFFFAOYSA-N 1 0 293.367 2.001 50 5 CEBARO O=[N+]([O-])c1cccc(COC[C@H]2CCC[NH2+]C2)c1 ZINC000014631147 361459209 /nfs/dbraw/zinc/45/92/09/361459209.db2.gz YITQZBWMQTVTSL-LBPRGKRZSA-N 1 0 250.298 2.111 50 5 CEBARO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000276911884 374343396 /nfs/dbraw/zinc/34/33/96/374343396.db2.gz NJKLRMVKWHUKIA-CYBMUJFWSA-N 1 0 294.351 2.340 50 5 CEBARO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000079350297 285111257 /nfs/dbraw/zinc/11/12/57/285111257.db2.gz PLMMGEYDSJMEQH-LSDHHAIUSA-N 1 0 276.336 2.391 50 5 CEBARO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000020522713 171235734 /nfs/dbraw/zinc/23/57/34/171235734.db2.gz MBUHSMPFSBDIBR-HNNXBMFYSA-N 1 0 272.304 2.418 50 5 CEBARO Cc1ccc([N+](=O)[O-])c(OCCCN2CCOCC2)c1 ZINC000020639723 171269173 /nfs/dbraw/zinc/26/91/73/171269173.db2.gz PSTNIPOBLIYZFM-UHFFFAOYSA-N 1 0 280.324 2.004 50 5 CEBARO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000037485939 173229430 /nfs/dbraw/zinc/22/94/30/173229430.db2.gz GPTMJHMPMIKSBW-UHFFFAOYSA-N 1 0 280.284 2.009 50 5 CEBARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000084780041 539528765 /nfs/dbraw/zinc/52/87/65/539528765.db2.gz RRFYXGZJGWJEBT-ZDUSSCGKSA-N 1 0 292.339 2.153 50 5 CEBARO C[N+](C)(C)CCCC(=O)c1ccc2c(c1)OCO2 ZINC000000508029 361181866 /nfs/dbraw/zinc/18/18/66/361181866.db2.gz UVPXAVLKBBNLOG-UHFFFAOYSA-N 1 0 250.318 2.084 50 5 CEBARO Cn1c(-c2cccc([N+](=O)[O-])c2)c[n+]2ccccc12 ZINC000000337643 361162611 /nfs/dbraw/zinc/16/26/11/361162611.db2.gz BWZXKRKZZLFXRS-UHFFFAOYSA-N 1 0 254.269 2.339 50 5 CEBARO CC[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2 ZINC000004581320 361321713 /nfs/dbraw/zinc/32/17/13/361321713.db2.gz YSUYOEMMWTWNOX-GULBITTBSA-N 1 0 260.357 2.472 50 5 CEBARO CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000011234885 361356860 /nfs/dbraw/zinc/35/68/60/361356860.db2.gz DQOOWHGEACUELM-UHFFFAOYSA-N 1 0 266.297 2.349 50 5 CEBARO NC(=O)c1ccc(C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000027269333 361649923 /nfs/dbraw/zinc/64/99/23/361649923.db2.gz WXAMUEFHHVHMOI-UHFFFAOYSA-N 1 0 277.324 2.070 50 5 CEBARO Cc1c(C[NH2+]C2(CN(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000330033288 377048510 /nfs/dbraw/zinc/04/85/10/377048510.db2.gz YSPCHWPJPBKGIM-UHFFFAOYSA-N 1 0 277.368 2.477 50 5 CEBARO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000095459154 394673561 /nfs/dbraw/zinc/67/35/61/394673561.db2.gz QYLBLLXQDKYNPC-GWCFXTLKSA-N 1 0 291.351 2.457 50 5 CEBARO C[NH+](C)C[C@@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003179928 169865806 /nfs/dbraw/zinc/86/58/06/169865806.db2.gz RDBRCJVRYMAQLH-WDEREUQCSA-N 1 0 296.323 2.465 50 5 CEBARO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000222684610 275037141 /nfs/dbraw/zinc/03/71/41/275037141.db2.gz XJAZPHSIBCIAOZ-RYUDHWBXSA-N 1 0 262.313 2.029 50 5 CEBARO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000097033676 185156593 /nfs/dbraw/zinc/15/65/93/185156593.db2.gz UAOXFTQRSKCMOI-JQWIXIFHSA-N 1 0 252.314 2.325 50 5 CEBARO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042775704 362118589 /nfs/dbraw/zinc/11/85/89/362118589.db2.gz AQZYUZFSWORTBS-MRVPVSSYSA-N 1 0 287.113 2.098 50 5 CEBARO CC[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000061997450 362701618 /nfs/dbraw/zinc/70/16/18/362701618.db2.gz ROMXTABRUDIFIS-UHFFFAOYSA-N 1 0 265.313 2.184 50 5 CEBARO C[NH+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000004003260 361296249 /nfs/dbraw/zinc/29/62/49/361296249.db2.gz WWHKTMSLHKICMD-UHFFFAOYSA-N 1 0 260.297 2.117 50 5 CEBARO Nc1c2c(ccc1[N+](=O)[O-])N(O)C1(CCCCC1)[N+]2=O ZINC000334157069 283654482 /nfs/dbraw/zinc/65/44/82/283654482.db2.gz DFBFLXWCLSAPIQ-UHFFFAOYSA-N 1 0 279.276 2.457 50 5 CEBARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000012804082 361400272 /nfs/dbraw/zinc/40/02/72/361400272.db2.gz OOGCEBOIIPQYGL-PHIMTYICSA-N 1 0 291.351 2.172 50 5 CEBARO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000095459156 364386962 /nfs/dbraw/zinc/38/69/62/364386962.db2.gz QYLBLLXQDKYNPC-MFKMUULPSA-N 1 0 291.351 2.457 50 5 CEBARO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282587882 375523092 /nfs/dbraw/zinc/52/30/92/375523092.db2.gz WSQDKIMAEKSTPG-GFCCVEGCSA-N 1 0 270.304 2.231 50 5 CEBARO O=C(NCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004777399 170015503 /nfs/dbraw/zinc/01/55/03/170015503.db2.gz QYQSOSZWSYYJGU-UHFFFAOYSA-N 1 0 292.339 2.202 50 5 CEBARO O=C(NCCC[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000004908708 170039559 /nfs/dbraw/zinc/03/95/59/170039559.db2.gz UPIZBROYJVLFAC-UHFFFAOYSA-N 1 0 292.339 2.202 50 5 CEBARO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](CO)C1 ZINC000004988917 170050104 /nfs/dbraw/zinc/05/01/04/170050104.db2.gz VYUHYWOLTOTBRN-WXJAXGNASA-N 1 0 276.336 2.312 50 5 CEBARO O=C(C[NH2+]CCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006875778 170251804 /nfs/dbraw/zinc/25/18/04/170251804.db2.gz MIEPGMKUTACKJY-UHFFFAOYSA-N 1 0 299.330 2.366 50 5 CEBARO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044411792 175172079 /nfs/dbraw/zinc/17/20/79/175172079.db2.gz IUBVGHMQTMDHNR-SECBINFHSA-N 1 0 292.295 2.152 50 5 CEBARO CC(C)C[NH2+]C[C@H]1OCc2ccc([N+](=O)[O-])cc2CO1 ZINC000027577350 277422814 /nfs/dbraw/zinc/42/28/14/277422814.db2.gz UJECGNFUBFBMRR-AWEZNQCLSA-N 1 0 280.324 2.213 50 5 CEBARO Cc1ccnc(N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000585092036 813671922 /nfs/dbraw/zinc/67/19/22/813671922.db2.gz BXMQWANTOFEKCO-HNNXBMFYSA-N 1 0 290.367 2.220 50 5 CEBARO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000585118032 813682539 /nfs/dbraw/zinc/68/25/39/813682539.db2.gz VBEWEWPLHWPEJD-NWDGAFQWSA-N 1 0 276.340 2.275 50 5 CEBARO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000041620697 362043569 /nfs/dbraw/zinc/04/35/69/362043569.db2.gz SFPVTUXBBPUXDL-UHFFFAOYSA-N 1 0 264.329 2.276 50 5 CEBARO CC[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000069562967 362979993 /nfs/dbraw/zinc/97/99/93/362979993.db2.gz MEQAGXIVRFTNNC-UHFFFAOYSA-N 1 0 263.341 2.122 50 5 CEBARO Cc1c(C[N@@H+](C[C@H](C)O)C(C)C)cccc1[N+](=O)[O-] ZINC000069809303 363002740 /nfs/dbraw/zinc/00/27/40/363002740.db2.gz QVXIUIXPFBBZQQ-NSHDSACASA-N 1 0 266.341 2.494 50 5 CEBARO CC[N+]1(CN2C(=O)c3ccccc3C2=O)CCCCC1 ZINC000000392565 361169124 /nfs/dbraw/zinc/16/91/24/361169124.db2.gz HHBQSUOMNGWUPW-UHFFFAOYSA-N 1 0 273.356 2.261 50 5 CEBARO CC(C)[NH2+]Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000003379461 361276950 /nfs/dbraw/zinc/27/69/50/361276950.db2.gz CXEYJPONPFPSDE-UHFFFAOYSA-N 1 0 262.269 2.143 50 5 CEBARO CC(C)CNc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000004739214 361327113 /nfs/dbraw/zinc/32/71/13/361327113.db2.gz ZHBXXBUUKIZRMS-UHFFFAOYSA-N 1 0 278.356 2.072 50 5 CEBARO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000016477514 361489112 /nfs/dbraw/zinc/48/91/12/361489112.db2.gz SQFOVFKGMZFWJN-OAHLLOKOSA-N 1 0 272.304 2.418 50 5 CEBARO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(F)c([N+](=O)[O-])c1 ZINC000095430571 364374656 /nfs/dbraw/zinc/37/46/56/364374656.db2.gz RUMPNUYXSCMNSG-JTQLQIEISA-N 1 0 297.330 2.128 50 5 CEBARO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000095459155 364387300 /nfs/dbraw/zinc/38/73/00/364387300.db2.gz QYLBLLXQDKYNPC-ZWNOBZJWSA-N 1 0 291.351 2.457 50 5 CEBARO C[N@@+]12CCC[C@@H]3CN4C(=O)CCC[C@@H]4[C@H](CCC1)[C@@H]32 ZINC000253389770 371513009 /nfs/dbraw/zinc/51/30/09/371513009.db2.gz AVTHDTNSRLXBOV-HEBKJCSOSA-N 1 0 263.405 2.016 50 5 CEBARO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CC[NH2+]C1 ZINC000042783044 285086868 /nfs/dbraw/zinc/08/68/68/285086868.db2.gz RPHXMUIBHJRGLL-QMMMGPOBSA-N 1 0 276.214 2.354 50 5 CEBARO CCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000005062921 170062512 /nfs/dbraw/zinc/06/25/12/170062512.db2.gz BSKNOVIEKUATMM-UHFFFAOYSA-N 1 0 292.339 2.154 50 5 CEBARO C[C@H]1C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000020167218 171040609 /nfs/dbraw/zinc/04/06/09/171040609.db2.gz WRAUOSVUGOEMOS-STQMWFEESA-N 1 0 294.351 2.473 50 5 CEBARO CCCC[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000103100270 528472922 /nfs/dbraw/zinc/47/29/22/528472922.db2.gz IWEDYJMBTBTZDU-LBPRGKRZSA-N 1 0 295.387 2.395 50 5 CEBARO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000095941243 185035615 /nfs/dbraw/zinc/03/56/15/185035615.db2.gz HCNLTLGLFDYPIN-CHWSQXEVSA-N 1 0 294.351 2.114 50 5 CEBARO COc1ccc(C[N@H+](C)CC2CC2)cc1[N+](=O)[O-] ZINC000052128485 362467745 /nfs/dbraw/zinc/46/77/45/362467745.db2.gz KGAXENNZZYCSHO-UHFFFAOYSA-N 1 0 250.298 2.445 50 5 CEBARO CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139382061 366557523 /nfs/dbraw/zinc/55/75/23/366557523.db2.gz XXGJWVFODMJKAO-UHFFFAOYSA-N 1 0 299.758 2.366 50 5 CEBARO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2)cc1 ZINC000019301144 361526514 /nfs/dbraw/zinc/52/65/14/361526514.db2.gz JDCPMOWSBPLTHF-HNNXBMFYSA-N 1 0 272.304 2.418 50 5 CEBARO CC[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@H]4[C@@H](CCC1)[C@@H]32 ZINC000252441087 371438031 /nfs/dbraw/zinc/43/80/31/371438031.db2.gz FFXCRHHKJZTONF-LAVBSDLTSA-N 1 0 277.432 2.406 50 5 CEBARO CS[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270667532 372890183 /nfs/dbraw/zinc/89/01/83/372890183.db2.gz QLGJJNHTKZGXQJ-KGLIPLIRSA-N 1 0 295.408 2.072 50 5 CEBARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046958510 400171308 /nfs/dbraw/zinc/17/13/08/400171308.db2.gz KCUJTMVBYYZNAF-NSHDSACASA-N 1 0 295.339 2.040 50 5 CEBARO O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccco2)cc1 ZINC000004842946 170028905 /nfs/dbraw/zinc/02/89/05/170028905.db2.gz RBCSIDRVMWAZPT-UHFFFAOYSA-N 1 0 261.281 2.390 50 5 CEBARO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000299311753 275038969 /nfs/dbraw/zinc/03/89/69/275038969.db2.gz FHTNYBJOHYPCIL-UHFFFAOYSA-N 1 0 298.346 2.427 50 5 CEBARO CC(C)c1ccc(CN2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000097162615 275739484 /nfs/dbraw/zinc/73/94/84/275739484.db2.gz WOTBQLPARQWISA-GFCCVEGCSA-N 1 0 263.341 2.251 50 5 CEBARO O=C(OCC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000036379477 361843272 /nfs/dbraw/zinc/84/32/72/361843272.db2.gz JTBUHCYRYZKXSX-GFCCVEGCSA-N 1 0 278.308 2.284 50 5 CEBARO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000097033679 185155628 /nfs/dbraw/zinc/15/56/28/185155628.db2.gz UAOXFTQRSKCMOI-ZYHUDNBSSA-N 1 0 252.314 2.325 50 5 CEBARO O=[N+]([O-])c1ccc(OC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042774243 362118653 /nfs/dbraw/zinc/11/86/53/362118653.db2.gz URJDRRUHXPRKIX-MRVPVSSYSA-N 1 0 256.689 2.237 50 5 CEBARO CC[NH+](CC)C[C@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078670821 343960985 /nfs/dbraw/zinc/96/09/85/343960985.db2.gz WYVDWGCOLOMEPK-CYBMUJFWSA-N 1 0 292.383 2.466 50 5 CEBARO CC[NH+](CC)CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000002744839 361247945 /nfs/dbraw/zinc/24/79/45/361247945.db2.gz ILLRGFMPSJAJDG-UHFFFAOYSA-N 1 0 293.367 2.365 50 5 CEBARO C[N+]1(CCC(=O)NCc2ccccc2)CCCCC1 ZINC000003635323 361289158 /nfs/dbraw/zinc/28/91/58/361289158.db2.gz OTHPPOTYLMREOJ-UHFFFAOYSA-O 1 0 261.389 2.323 50 5 CEBARO C[N+]1(C)CCC[C@@H]1c1cc(Br)cnc1N ZINC000019760565 361550106 /nfs/dbraw/zinc/55/01/06/361550106.db2.gz VRYZQXKLNLFTAI-SNVBAGLBSA-N 1 0 271.182 2.338 50 5 biogenic,in-vitro CEBARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000089894283 364013427 /nfs/dbraw/zinc/01/34/27/364013427.db2.gz FEVLYJRVPNWSPI-DGCLKSJQSA-N 1 0 264.325 2.188 50 5 CEBARO O=[N+]([O-])c1c(F)cccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000083420617 285077186 /nfs/dbraw/zinc/07/71/86/285077186.db2.gz NBEUELQXGUCDBO-LLVKDONJSA-N 1 0 279.315 2.408 50 5 CEBARO Cc1ccc([N+](=O)[O-])c(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000004842302 170028114 /nfs/dbraw/zinc/02/81/14/170028114.db2.gz YOWGDBPIQIRHQF-LBPRGKRZSA-N 1 0 280.324 2.051 50 5 CEBARO Cn1c2ccc([N+](=O)[O-])cc2nc1CC[NH+]1CCCC1 ZINC000005790486 170140396 /nfs/dbraw/zinc/14/03/96/170140396.db2.gz RXOGWYRODAFLFT-UHFFFAOYSA-N 1 0 274.324 2.120 50 5 CEBARO Cc1ccc([N+](=O)[O-])c(OCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020652740 171268716 /nfs/dbraw/zinc/26/87/16/171268716.db2.gz GSXTXISIEHKLME-CHWSQXEVSA-N 1 0 294.351 2.391 50 5 CEBARO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000071893747 176291644 /nfs/dbraw/zinc/29/16/44/176291644.db2.gz GIBZHKJUGKLHCB-UHFFFAOYSA-N 1 0 267.304 2.266 50 5 CEBARO Cc1c(NC(=O)NC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000585086460 804718002 /nfs/dbraw/zinc/71/80/02/804718002.db2.gz HUGAAMZQRQZELJ-JTQLQIEISA-N 1 0 294.355 2.222 50 5 CEBARO CC(C)[N@H+](C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000079975578 363638069 /nfs/dbraw/zinc/63/80/69/363638069.db2.gz PYHKTQFCFDEHJP-UHFFFAOYSA-N 1 0 293.367 2.286 50 5 CEBARO CC(C)[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000012814503 361401611 /nfs/dbraw/zinc/40/16/11/361401611.db2.gz GAUIQHKFJGDUFE-CYBMUJFWSA-N 1 0 294.355 2.303 50 5 CEBARO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000013153584 361421008 /nfs/dbraw/zinc/42/10/08/361421008.db2.gz WRAUOSVUGOEMOS-BETUJISGSA-N 1 0 294.351 2.473 50 5 CEBARO CCOc1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276911887 374343668 /nfs/dbraw/zinc/34/36/68/374343668.db2.gz NJKLRMVKWHUKIA-ZDUSSCGKSA-N 1 0 294.351 2.340 50 5 CEBARO CC(=O)c1ccc(N2CC[C@@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000314851717 376786351 /nfs/dbraw/zinc/78/63/51/376786351.db2.gz DPRRXNHTHZAVNC-ZWNOBZJWSA-N 1 0 291.351 2.326 50 5 CEBARO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058224281 394564778 /nfs/dbraw/zinc/56/47/78/394564778.db2.gz VSOOZMNDBLURAO-UHFFFAOYSA-N 1 0 263.341 2.373 50 5 CEBARO CCC[NH+](CCC)C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000002988678 169847450 /nfs/dbraw/zinc/84/74/50/169847450.db2.gz PMQMBNQVHUERAZ-AWEZNQCLSA-N 1 0 296.367 2.457 50 5 CEBARO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000003998705 278798482 /nfs/dbraw/zinc/79/84/82/278798482.db2.gz NECMVUPTUANASG-MRVPVSSYSA-N 1 0 255.705 2.046 50 5 CEBARO Cc1cc([N+](=O)[O-])cnc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000069777954 280664207 /nfs/dbraw/zinc/66/42/07/280664207.db2.gz OKZLMBLCBNROTR-UHFFFAOYSA-N 1 0 299.334 2.020 50 5 CEBARO Cc1ccc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000004529931 281184947 /nfs/dbraw/zinc/18/49/47/281184947.db2.gz IURHHEYJEYNGLW-UHFFFAOYSA-N 1 0 260.229 2.088 50 5 CEBARO CC[NH+](CC)C[C@@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078670817 343960731 /nfs/dbraw/zinc/96/07/31/343960731.db2.gz WYVDWGCOLOMEPK-ZDUSSCGKSA-N 1 0 292.383 2.466 50 5 CEBARO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCCC[C@@H]1C ZINC000106073518 186101537 /nfs/dbraw/zinc/10/15/37/186101537.db2.gz ZTBCEXKBNRXGIN-WDEREUQCSA-N 1 0 295.339 2.181 50 5 CEBARO Cc1c(C[N@@H+](C[C@@H](C)O)C(C)C)cccc1[N+](=O)[O-] ZINC000069809302 363002917 /nfs/dbraw/zinc/00/29/17/363002917.db2.gz QVXIUIXPFBBZQQ-LLVKDONJSA-N 1 0 266.341 2.494 50 5 CEBARO CC(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004170531 361304193 /nfs/dbraw/zinc/30/41/93/361304193.db2.gz YMVRNKOYZPEJAJ-UHFFFAOYSA-N 1 0 263.341 2.121 50 5 CEBARO C[N@H+](CCOC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000095400867 364359780 /nfs/dbraw/zinc/35/97/80/364359780.db2.gz WSIPGCFVYAVFKE-HNNXBMFYSA-N 1 0 294.351 2.222 50 5 CEBARO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCF)CC2)cc1 ZINC000585123551 367181835 /nfs/dbraw/zinc/18/18/35/367181835.db2.gz WHZABNCAACMWJT-UHFFFAOYSA-N 1 0 281.331 2.072 50 5 CEBARO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000004132887 285126311 /nfs/dbraw/zinc/12/63/11/285126311.db2.gz KMGDPTUNJDHJFZ-UHFFFAOYSA-N 1 0 275.230 2.023 50 5 CEBARO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000003877879 394454266 /nfs/dbraw/zinc/45/42/66/394454266.db2.gz UEIVDYVQWOFTJP-IUCAKERBSA-N 1 0 269.732 2.435 50 5 CEBARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046958508 400171055 /nfs/dbraw/zinc/17/10/55/400171055.db2.gz KCUJTMVBYYZNAF-LLVKDONJSA-N 1 0 295.339 2.040 50 5 CEBARO Cc1cc(OC[C@H](O)C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000004747464 170011226 /nfs/dbraw/zinc/01/12/26/170011226.db2.gz BIVVWGBWPBEPKD-LLVKDONJSA-N 1 0 282.340 2.031 50 5 CEBARO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000004947938 170044239 /nfs/dbraw/zinc/04/42/39/170044239.db2.gz CITTVJTYGPEOFC-ZDUSSCGKSA-N 1 0 264.325 2.332 50 5 CEBARO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000016477477 170698667 /nfs/dbraw/zinc/69/86/67/170698667.db2.gz BKYGDAVTBSSMBV-HNNXBMFYSA-N 1 0 272.304 2.418 50 5 CEBARO C[C@@H]1C[N@@H+](CCCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000016488985 260098978 /nfs/dbraw/zinc/09/89/78/260098978.db2.gz OUVPJANJTOYHRA-BETUJISGSA-N 1 0 294.351 2.473 50 5 CEBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)[NH2+]1 ZINC000003877888 274364247 /nfs/dbraw/zinc/36/42/47/274364247.db2.gz VUIFYXAJJLSBES-PHIMTYICSA-N 1 0 286.335 2.330 50 5 CEBARO CC[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@H]4[C@H](CCC1)[C@H]32 ZINC000252441085 276681138 /nfs/dbraw/zinc/68/11/38/276681138.db2.gz FFXCRHHKJZTONF-BTWZCHHXSA-N 1 0 277.432 2.406 50 5 CEBARO C[C@@H]1C[N+](C)(C)[C@H](C)C[C@@]1(O)/C=C/C1(O)CCCCC1 ZINC000004689365 278037788 /nfs/dbraw/zinc/03/77/88/278037788.db2.gz SEWNTSZJYCRBLN-RPUDDXGHSA-N 1 0 282.448 2.474 50 5 CEBARO C[C@@H]1C[N+](C)(C)[C@@H](C)C[C@@]1(O)/C=C/C1(O)CCCCC1 ZINC000004623698 279010518 /nfs/dbraw/zinc/01/05/18/279010518.db2.gz SEWNTSZJYCRBLN-JRAQEUBKSA-N 1 0 282.448 2.474 50 5 CEBARO Cc1ccc(OC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000042782886 362119164 /nfs/dbraw/zinc/11/91/64/362119164.db2.gz LFSAFFIUKDMAPJ-LLVKDONJSA-N 1 0 250.298 2.282 50 5 CEBARO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000135237270 187809921 /nfs/dbraw/zinc/80/99/21/187809921.db2.gz SXHCEVOZEOEIIK-VXGBXAGGSA-N 1 0 291.351 2.103 50 5 CEBARO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003877750 361291193 /nfs/dbraw/zinc/29/11/93/361291193.db2.gz HGZRREOJHASMOE-UHFFFAOYSA-N 1 0 282.300 2.257 50 5 CEBARO C[NH+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000095217836 364341804 /nfs/dbraw/zinc/34/18/04/364341804.db2.gz ZIYYEEOESKIGRR-UHFFFAOYSA-N 1 0 259.103 2.419 50 5 CEBARO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000095983367 394674519 /nfs/dbraw/zinc/67/45/19/394674519.db2.gz BPAKWQSJSPNXLU-NEPJUHHUSA-N 1 0 263.341 2.432 50 5 CEBARO O=[N+]([O-])c1cccc(OCCOCC[NH+]2CCCCC2)c1 ZINC000004841863 170028436 /nfs/dbraw/zinc/02/84/36/170028436.db2.gz JVAIWXWCQFVKCZ-UHFFFAOYSA-N 1 0 294.351 2.476 50 5 CEBARO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1CO ZINC000004985395 170048827 /nfs/dbraw/zinc/04/88/27/170048827.db2.gz HTLIFIOVEGAHAR-VUUYWXRKSA-N 1 0 262.309 2.065 50 5 CEBARO Cc1c(C[NH+]2CCC([C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000071897292 176293124 /nfs/dbraw/zinc/29/31/24/176293124.db2.gz QUCNOJPOMHRIGB-GFCCVEGCSA-N 1 0 278.352 2.496 50 5 CEBARO CC[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000075469796 273666673 /nfs/dbraw/zinc/66/66/73/273666673.db2.gz NXNMTEZNKLVSCX-UHFFFAOYSA-N 1 0 286.335 2.285 50 5 CEBARO C[NH+](C)CC1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000408522163 276783170 /nfs/dbraw/zinc/78/31/70/276783170.db2.gz DYWCQZZSBZXSLS-UHFFFAOYSA-N 1 0 269.732 2.246 50 5 CEBARO Cc1ccnc(N2CC[C@H](CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000904217387 635515886 /nfs/dbraw/zinc/51/58/86/635515886.db2.gz CDXGBIAJUYCKHG-LBPRGKRZSA-N 1 0 278.356 2.076 50 5 CEBARO O=C(C[NH2+]Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000052537306 362470833 /nfs/dbraw/zinc/47/08/33/362470833.db2.gz CYHYTXFFFZUJHI-UHFFFAOYSA-N 1 0 285.303 2.323 50 5 CEBARO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000070038427 363023842 /nfs/dbraw/zinc/02/38/42/363023842.db2.gz TYCUZDCDMBIQQW-FZMZJTMJSA-N 1 0 264.325 2.330 50 5 CEBARO COC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000079091108 363576803 /nfs/dbraw/zinc/57/68/03/363576803.db2.gz AWEOYKGHWFASQJ-AWEZNQCLSA-N 1 0 278.352 2.496 50 5 CEBARO C[C@@H]1C[N@@H+](CCCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000013153566 361420852 /nfs/dbraw/zinc/42/08/52/361420852.db2.gz RBZBAAXMDDRYAU-BETUJISGSA-N 1 0 294.351 2.473 50 5 CEBARO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12 ZINC000225363561 370291870 /nfs/dbraw/zinc/29/18/70/370291870.db2.gz FQXVZVWNLNTZOY-NTZNESFSSA-N 1 0 295.770 2.417 50 5 CEBARO C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000003877884 279881916 /nfs/dbraw/zinc/88/19/16/279881916.db2.gz CNBXACPESICDFY-IUCAKERBSA-N 1 0 269.732 2.435 50 5 CEBARO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236051732 570236745 /nfs/dbraw/zinc/23/67/45/570236745.db2.gz RJELRIXSSNSRFR-MRVPVSSYSA-N 1 0 270.720 2.055 50 5 CEBARO C[C@H](CC[N+](C)(C)C)OC(=O)[C@@H]1OCCc2ccccc21 ZINC000220132964 717161399 /nfs/dbraw/zinc/16/13/99/717161399.db2.gz VCKFCODGNHIGOS-CZUORRHYSA-N 1 0 292.399 2.328 50 5 CEBARO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1CO ZINC000095941244 185036636 /nfs/dbraw/zinc/03/66/36/185036636.db2.gz HCNLTLGLFDYPIN-OLZOCXBDSA-N 1 0 294.351 2.114 50 5 CEBARO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000095976598 185050996 /nfs/dbraw/zinc/05/09/96/185050996.db2.gz NDTWQEMKGFYQRQ-JSGCOSHPSA-N 1 0 294.351 2.339 50 5 CEBARO O=[N+]([O-])c1cc(Cl)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042771367 362118342 /nfs/dbraw/zinc/11/83/42/362118342.db2.gz FUFOGFLNGAJXGI-QMMMGPOBSA-N 1 0 256.689 2.237 50 5 CEBARO Cc1ccc(OCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000042782888 362119943 /nfs/dbraw/zinc/11/99/43/362119943.db2.gz WYGPVMMADVOKMX-UHFFFAOYSA-N 1 0 250.298 2.282 50 5 CEBARO Cc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)o1 ZINC000097374035 185591190 /nfs/dbraw/zinc/59/11/90/185591190.db2.gz NHPAFEYOICYCRS-JTQLQIEISA-N 1 0 264.285 2.044 50 5 CEBARO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C)CC2)c1 ZINC000155802043 188227745 /nfs/dbraw/zinc/22/77/45/188227745.db2.gz OAJPUQOLMDIBME-UHFFFAOYSA-N 1 0 265.313 2.110 50 5 CEBARO Cc1c(C[N@@H+](C)CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000075782739 363489497 /nfs/dbraw/zinc/48/94/97/363489497.db2.gz KZIYDSPTWKQFSX-SNVBAGLBSA-N 1 0 252.314 2.106 50 5 CEBARO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000179139509 189172420 /nfs/dbraw/zinc/17/24/20/189172420.db2.gz BPBVLQUVMQDMSR-CYBMUJFWSA-N 1 0 278.308 2.122 50 5 CEBARO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000002893927 361257612 /nfs/dbraw/zinc/25/76/12/361257612.db2.gz WIOJFTGLCXQZJS-SOFGYWHQSA-N 1 0 263.341 2.101 50 5 CEBARO CC(C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000004170518 361303446 /nfs/dbraw/zinc/30/34/46/361303446.db2.gz UOWJZUOFTGCKEW-UHFFFAOYSA-N 1 0 263.341 2.121 50 5 CEBARO Cn1cnc([N+](=O)[O-])c1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000024988630 361617822 /nfs/dbraw/zinc/61/78/22/361617822.db2.gz GIORNUFIYSXNGV-UHFFFAOYSA-N 1 0 281.360 2.049 50 5 CEBARO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000026940461 361647304 /nfs/dbraw/zinc/64/73/04/361647304.db2.gz GGWAASRTOBFIMS-UHFFFAOYSA-N 1 0 277.324 2.406 50 5 CEBARO C[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@@H]4[C@H](CCC1)[C@@H]32 ZINC000239274889 370776251 /nfs/dbraw/zinc/77/62/51/370776251.db2.gz AVTHDTNSRLXBOV-HUIPPAIASA-N 1 0 263.405 2.016 50 5 CEBARO C[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@@H]4[C@@H](CCC1)[C@@H]32 ZINC000239274890 291447650 /nfs/dbraw/zinc/44/76/50/291447650.db2.gz AVTHDTNSRLXBOV-VEGMONKWSA-N 1 0 263.405 2.016 50 5 CEBARO O=[N+]([O-])c1cnc(N2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000247322324 371092577 /nfs/dbraw/zinc/09/25/77/371092577.db2.gz MIMLXJWUXGRGSO-JTQLQIEISA-N 1 0 296.758 2.318 50 5 CEBARO O=[N+]([O-])c1cccc(Cl)c1N1CCC[NH2+]CC1 ZINC000020286776 285155170 /nfs/dbraw/zinc/15/51/70/285155170.db2.gz DGSFYWNASDEFDR-UHFFFAOYSA-N 1 0 255.705 2.048 50 5 CEBARO Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000010023590 170395937 /nfs/dbraw/zinc/39/59/37/170395937.db2.gz NLBUAHWRDJGERS-UHFFFAOYSA-N 1 0 293.367 2.221 50 5 CEBARO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222685155 230398340 /nfs/dbraw/zinc/39/83/40/230398340.db2.gz CNXZWCQTRAXEIF-MNOVXSKESA-N 1 0 262.313 2.029 50 5 CEBARO C[N@@H+]1CCC[C@@H]1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000095981708 185054556 /nfs/dbraw/zinc/05/45/56/185054556.db2.gz ZFZBXNQNNIWXHJ-OAHLLOKOSA-N 1 0 289.379 2.437 50 5 CEBARO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCCCC2)cc1 ZINC000004312015 343353067 /nfs/dbraw/zinc/35/30/67/343353067.db2.gz MNZTUVQQZPUFRQ-CYBMUJFWSA-N 1 0 250.298 2.114 50 5 CEBARO CC[NH+](CC)CCn1ncc2ccc([N+](=O)[O-])cc21 ZINC000075279123 343845013 /nfs/dbraw/zinc/84/50/13/343845013.db2.gz JSUQXHQAKGSIDZ-UHFFFAOYSA-N 1 0 262.313 2.286 50 5 CEBARO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083444151 344077591 /nfs/dbraw/zinc/07/75/91/344077591.db2.gz HSLQGRPLGDUDJE-UHFFFAOYSA-N 1 0 287.323 2.093 50 5 CEBARO CC(=O)c1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000083843722 363788937 /nfs/dbraw/zinc/78/89/37/363788937.db2.gz NJQBEXLHZGDKFU-UHFFFAOYSA-N 1 0 268.338 2.451 50 5 CEBARO Cc1cc(C(=O)NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000012852499 361404002 /nfs/dbraw/zinc/40/40/02/361404002.db2.gz JOYCJCHVJUFCNT-UHFFFAOYSA-N 1 0 291.351 2.119 50 5 CEBARO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000095459153 364386726 /nfs/dbraw/zinc/38/67/26/364386726.db2.gz QYLBLLXQDKYNPC-GXFFZTMASA-N 1 0 291.351 2.457 50 5 CEBARO C[C@@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000253370001 371511577 /nfs/dbraw/zinc/51/15/77/371511577.db2.gz KWQYXLYMDNCCQQ-UTUOFQBUSA-N 1 0 266.345 2.206 50 5 CEBARO COC(=O)CCCCCCCC[C@H](O)C[N+](C)(C)C ZINC000002097442 169774238 /nfs/dbraw/zinc/77/42/38/169774238.db2.gz AWONKJSYPXYORW-AWEZNQCLSA-N 1 0 274.425 2.347 50 5 CEBARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000005032863 170058905 /nfs/dbraw/zinc/05/89/05/170058905.db2.gz SGFDXMPBOGSZRP-WFASDCNBSA-N 1 0 275.352 2.263 50 5 CEBARO C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ccccc32)CC1 ZINC000071771847 273900183 /nfs/dbraw/zinc/90/01/83/273900183.db2.gz CJYXAGKLYGONDV-UHFFFAOYSA-N 1 0 271.320 2.500 50 5 CEBARO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H](C)[NH2+]1 ZINC000003877891 274364335 /nfs/dbraw/zinc/36/43/35/274364335.db2.gz VUIFYXAJJLSBES-GHMZBOCLSA-N 1 0 286.335 2.330 50 5 CEBARO Cc1cc(N2CC[NH2+][C@@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000952881302 815075804 /nfs/dbraw/zinc/07/58/04/815075804.db2.gz GIYFKCZMQHFBQH-CQSZACIVSA-N 1 0 298.346 2.449 50 5 CEBARO O=C(OCC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000036379476 361843972 /nfs/dbraw/zinc/84/39/72/361843972.db2.gz JTBUHCYRYZKXSX-LBPRGKRZSA-N 1 0 278.308 2.284 50 5 CEBARO [NH3+]CCCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000004036571 361297746 /nfs/dbraw/zinc/29/77/46/361297746.db2.gz SQGQBHJVJIZCHD-UHFFFAOYSA-N 1 0 260.297 2.294 50 5 CEBARO O=[N+]([O-])c1ccc(/C=C2/[C@@H](O)C3CC[NH+]2CC3)cc1 ZINC000015017003 361464936 /nfs/dbraw/zinc/46/49/36/361464936.db2.gz KWXOJIBUTPSKRN-XXYUJHKVSA-N 1 0 260.293 2.022 50 5 CEBARO C[N@H+](CCOC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000095400868 364359762 /nfs/dbraw/zinc/35/97/62/364359762.db2.gz WSIPGCFVYAVFKE-OAHLLOKOSA-N 1 0 294.351 2.222 50 5 CEBARO CC[C@@H](C)[N@H+](CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000585117240 367178755 /nfs/dbraw/zinc/17/87/55/367178755.db2.gz VZNXBCJQOXXJNM-GFCCVEGCSA-N 1 0 266.341 2.496 50 5 CEBARO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000162759321 367187390 /nfs/dbraw/zinc/18/73/90/367187390.db2.gz HGVBFKDBYLOSND-UHFFFAOYSA-N 1 0 292.339 2.073 50 5 CEBARO Cc1cc(OC[C@@H](O)C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000004747466 170011036 /nfs/dbraw/zinc/01/10/36/170011036.db2.gz BIVVWGBWPBEPKD-NSHDSACASA-N 1 0 282.340 2.031 50 5 CEBARO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000004948700 170044495 /nfs/dbraw/zinc/04/44/95/170044495.db2.gz IHTYDVBLKIUXOX-CYBMUJFWSA-N 1 0 264.325 2.332 50 5 CEBARO C[N+](C)(CCN1C(=O)c2ccccc2C1=O)C1CCCC1 ZINC000024155852 171432491 /nfs/dbraw/zinc/43/24/91/171432491.db2.gz ZDQMJPMFOZQCEN-UHFFFAOYSA-N 1 0 287.383 2.302 50 5 CEBARO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042775648 174874508 /nfs/dbraw/zinc/87/45/08/174874508.db2.gz GBSYHJMDQYWGRL-SECBINFHSA-N 1 0 256.689 2.379 50 5 CEBARO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C12CCC2 ZINC000585118031 813683237 /nfs/dbraw/zinc/68/32/37/813683237.db2.gz VBEWEWPLHWPEJD-NEPJUHHUSA-N 1 0 276.340 2.275 50 5 CEBARO NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000082138904 363751660 /nfs/dbraw/zinc/75/16/60/363751660.db2.gz FQURMLNTZHENFB-UHFFFAOYSA-N 1 0 263.297 2.342 50 5 CEBARO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2)cc1 ZINC000019301145 361527343 /nfs/dbraw/zinc/52/73/43/361527343.db2.gz JDCPMOWSBPLTHF-OAHLLOKOSA-N 1 0 272.304 2.418 50 5 CEBARO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000089904919 364014750 /nfs/dbraw/zinc/01/47/50/364014750.db2.gz NHXKOLRVMDWIFB-GFCCVEGCSA-N 1 0 291.351 2.258 50 5 CEBARO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000069847666 296203069 /nfs/dbraw/zinc/20/30/69/296203069.db2.gz IHQHNXIBGQDGFC-DGCLKSJQSA-N 1 0 264.325 2.330 50 5 CEBARO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000084789210 394641642 /nfs/dbraw/zinc/64/16/42/394641642.db2.gz ZQFUERHYHDYRPI-UHFFFAOYSA-N 1 0 293.367 2.273 50 5 CEBARO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1 ZINC000004783916 170016376 /nfs/dbraw/zinc/01/63/76/170016376.db2.gz ZZKZGNQWPHPUMG-UHFFFAOYSA-N 1 0 290.348 2.128 50 5 CEBARO O=[N+]([O-])c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004989706 170049975 /nfs/dbraw/zinc/04/99/75/170049975.db2.gz HLQQRQNEDYOBHS-UHFFFAOYSA-N 1 0 250.298 2.460 50 5 CEBARO CC[N@H+](C)[C@H]1CCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000241586410 276078663 /nfs/dbraw/zinc/07/86/63/276078663.db2.gz OVTCWZHSQOQUPC-NSHDSACASA-N 1 0 267.304 2.264 50 5 CEBARO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000004004448 518180239 /nfs/dbraw/zinc/18/02/39/518180239.db2.gz PBQHFYMVOTZKJM-RKDXNWHRSA-N 1 0 269.732 2.435 50 5 CEBARO Cc1c(NC(=O)NC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000585086461 813667045 /nfs/dbraw/zinc/66/70/45/813667045.db2.gz HUGAAMZQRQZELJ-SNVBAGLBSA-N 1 0 294.355 2.222 50 5 CEBARO Cc1ccnc(N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000585092037 813672017 /nfs/dbraw/zinc/67/20/17/813672017.db2.gz BXMQWANTOFEKCO-OAHLLOKOSA-N 1 0 290.367 2.220 50 5 CEBARO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001716632 361220071 /nfs/dbraw/zinc/22/00/71/361220071.db2.gz FRESWUPYXIRXMN-UHFFFAOYSA-N 1 0 266.297 2.093 50 5 CEBARO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014939260 361461685 /nfs/dbraw/zinc/46/16/85/361461685.db2.gz NSTAMBKRMDGQAI-UHFFFAOYSA-N 1 0 291.351 2.197 50 5 CEBARO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000230081681 370439952 /nfs/dbraw/zinc/43/99/52/370439952.db2.gz PLMMGEYDSJMEQH-CABCVRRESA-N 1 0 276.336 2.391 50 5 CEBARO CC[N@H+](C)[C@@H]1CCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000241586409 394495380 /nfs/dbraw/zinc/49/53/80/394495380.db2.gz OVTCWZHSQOQUPC-LLVKDONJSA-N 1 0 267.304 2.264 50 5 CEBARO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004700212 170001317 /nfs/dbraw/zinc/00/13/17/170001317.db2.gz TWXPRMXUQHHGJM-LBPRGKRZSA-N 1 0 291.351 2.151 50 5 CEBARO C[C@@H]1C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000020167216 171040576 /nfs/dbraw/zinc/04/05/76/171040576.db2.gz WRAUOSVUGOEMOS-CHWSQXEVSA-N 1 0 294.351 2.473 50 5 CEBARO C[NH+](C)C1(CNc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000071905258 176296406 /nfs/dbraw/zinc/29/64/06/176296406.db2.gz ZZUUTSOSRCYGTI-UHFFFAOYSA-N 1 0 279.340 2.118 50 5 CEBARO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000096453674 529046710 /nfs/dbraw/zinc/04/67/10/529046710.db2.gz JKRNDVSYXQCQAN-UHFFFAOYSA-N 1 0 279.340 2.135 50 5 CEBARO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000097032970 185156646 /nfs/dbraw/zinc/15/66/46/185156646.db2.gz PQFXMRJBNBCDFJ-LLVKDONJSA-N 1 0 260.297 2.142 50 5 CEBARO Cc1ccc(OC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000042782887 362119954 /nfs/dbraw/zinc/11/99/54/362119954.db2.gz LFSAFFIUKDMAPJ-NSHDSACASA-N 1 0 250.298 2.282 50 5 CEBARO C[C@@H]([NH2+][C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000097038554 185509910 /nfs/dbraw/zinc/50/99/10/185509910.db2.gz LPGOJGXFGVFPPW-ZWNOBZJWSA-N 1 0 250.298 2.424 50 5 CEBARO Cc1c(C[N@@H+](C)CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000075782743 363489466 /nfs/dbraw/zinc/48/94/66/363489466.db2.gz KZIYDSPTWKQFSX-JTQLQIEISA-N 1 0 252.314 2.106 50 5 CEBARO O=[N+]([O-])c1ccccc1OCC[NH2+]Cc1ccco1 ZINC000002509641 361237143 /nfs/dbraw/zinc/23/71/43/361237143.db2.gz YFFKHYNYEPTYJY-UHFFFAOYSA-N 1 0 262.265 2.356 50 5 CEBARO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000004362856 361313423 /nfs/dbraw/zinc/31/34/23/361313423.db2.gz MNZTUVQQZPUFRQ-ZDUSSCGKSA-N 1 0 250.298 2.114 50 5 CEBARO Cc1ccc([N+](=O)[O-])c(OCCCC[NH+]2CCOCC2)c1 ZINC000020653562 361585462 /nfs/dbraw/zinc/58/54/62/361585462.db2.gz UULNAHRNZSWTHQ-UHFFFAOYSA-N 1 0 294.351 2.394 50 5 CEBARO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000221870438 370246181 /nfs/dbraw/zinc/24/61/81/370246181.db2.gz FQXVZVWNLNTZOY-NQBHXWOUSA-N 1 0 295.770 2.417 50 5 CEBARO C[N+](C)(C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000000236832 169582729 /nfs/dbraw/zinc/58/27/29/169582729.db2.gz IJEDRNYHHZRYNH-JTQLQIEISA-N 1 0 279.187 2.439 50 5 CEBARO O=[N+]([O-])c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000002880428 169840817 /nfs/dbraw/zinc/84/08/17/169840817.db2.gz JQLAYZSNLAOKEW-UHFFFAOYSA-N 1 0 250.298 2.460 50 5 CEBARO C[N+](C)(C)CCOC(=O)COc1ccc2ccccc2c1 ZINC000006183998 170181304 /nfs/dbraw/zinc/18/13/04/170181304.db2.gz VOPNXHSIIRREHM-UHFFFAOYSA-N 1 0 288.367 2.468 50 5 CEBARO CC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000009389013 170376001 /nfs/dbraw/zinc/37/60/01/170376001.db2.gz SVDWJFCXFATQNE-UHFFFAOYSA-N 1 0 292.339 2.201 50 5 CEBARO CCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000071912056 176298103 /nfs/dbraw/zinc/29/81/03/176298103.db2.gz JJFHWXNBHNGIEI-LLVKDONJSA-N 1 0 264.329 2.276 50 5 CEBARO Cc1cccc[n+]1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005711500 281326953 /nfs/dbraw/zinc/32/69/53/281326953.db2.gz DJQHHKOJKHGSIV-UHFFFAOYSA-N 1 0 260.229 2.088 50 5 CEBARO CC(=O)c1ccc(NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000049099999 362339297 /nfs/dbraw/zinc/33/92/97/362339297.db2.gz GNEHXHXZYKYMNF-GFCCVEGCSA-N 1 0 277.324 2.304 50 5 CEBARO O=[N+]([O-])c1c2nsnc2ccc1NCC[NH+]1CCCC1 ZINC000004427655 361316571 /nfs/dbraw/zinc/31/65/71/361316571.db2.gz HSHGNBGSXFHYNZ-UHFFFAOYSA-N 1 0 293.352 2.107 50 5 CEBARO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)nc1 ZINC000014327535 361456530 /nfs/dbraw/zinc/45/65/30/361456530.db2.gz SLDGSDRWDRYQBG-UHFFFAOYSA-N 1 0 262.313 2.029 50 5 CEBARO Cc1cc(N[C@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097084677 364443852 /nfs/dbraw/zinc/44/38/52/364443852.db2.gz RNOQVSNGQLCKDL-SECBINFHSA-N 1 0 261.281 2.244 50 5 CEBARO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCCC[C@H]1C ZINC000248037914 371156575 /nfs/dbraw/zinc/15/65/75/371156575.db2.gz ZTBCEXKBNRXGIN-GHMZBOCLSA-N 1 0 295.339 2.181 50 5 CEBARO CS[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270667534 372890410 /nfs/dbraw/zinc/89/04/10/372890410.db2.gz QLGJJNHTKZGXQJ-ZIAGYGMSSA-N 1 0 295.408 2.072 50 5 CEBARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000004978097 170047921 /nfs/dbraw/zinc/04/79/21/170047921.db2.gz FQLARNHBJUNWLM-ZDUSSCGKSA-N 1 0 292.335 2.370 50 5 CEBARO O=[N+]([O-])c1cc(Cl)ccc1N1CC[N@@H+]2CC[C@H]1C2 ZINC000408522842 275033359 /nfs/dbraw/zinc/03/33/59/275033359.db2.gz MLRKYVVHKAWNCQ-JTQLQIEISA-N 1 0 267.716 2.143 50 5 CEBARO C[N+]1(C[C@@H]2CO[C@@H]([C@@H]3CC=CCC3)O2)CCCC1 ZINC000169703085 280177847 /nfs/dbraw/zinc/17/78/47/280177847.db2.gz GTRIPFHVSMNOFL-RBSFLKMASA-N 1 0 252.378 2.325 50 5 CEBARO CC[N@+]12CCC[C@@H]3CN4C(=O)CCC[C@@H]4[C@@H](CCC1)[C@@H]32 ZINC000249685086 281354206 /nfs/dbraw/zinc/35/42/06/281354206.db2.gz FFXCRHHKJZTONF-GHJUNDHASA-N 1 0 277.432 2.406 50 5 CEBARO CC(C)[C@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000095949103 185038855 /nfs/dbraw/zinc/03/88/55/185038855.db2.gz GLSDCQNTGZTMKJ-JSGCOSHPSA-N 1 0 296.367 2.311 50 5 CEBARO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000054771839 362539988 /nfs/dbraw/zinc/53/99/88/362539988.db2.gz VMWWFJRWMWZTON-UHFFFAOYSA-N 1 0 298.346 2.312 50 5 CEBARO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(F)cc(F)c1 ZINC000090539504 539768407 /nfs/dbraw/zinc/76/84/07/539768407.db2.gz BVPOPMLOCNHQIA-VIFPVBQESA-N 1 0 296.277 2.420 50 5 CEBARO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000211268856 538803544 /nfs/dbraw/zinc/80/35/44/538803544.db2.gz LXUBMYSFGRTNKQ-JJQCHNSYSA-N 1 0 270.354 2.012 50 5 CEBARO COC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000079091104 363576896 /nfs/dbraw/zinc/57/68/96/363576896.db2.gz AWEOYKGHWFASQJ-CQSZACIVSA-N 1 0 278.352 2.496 50 5 CEBARO Cc1cc(N2CCC(c3c[nH]cn3)CC2)ncc1[N+](=O)[O-] ZINC000253433325 371522758 /nfs/dbraw/zinc/52/27/58/371522758.db2.gz VQAKXDUBVJCXTJ-UHFFFAOYSA-N 1 0 287.323 2.405 50 5 CEBARO CN(Cc1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1 ZINC000000237437 169582965 /nfs/dbraw/zinc/58/29/65/169582965.db2.gz QDJOLERLCKXRLH-UHFFFAOYSA-N 1 0 269.370 2.182 50 5 CEBARO C[N@@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000004988841 170049874 /nfs/dbraw/zinc/04/98/74/170049874.db2.gz YYTUBUJHTGVGJR-QPJJXVBHSA-N 1 0 275.352 2.246 50 5 CEBARO C[C@@H]1C[NH+](CCCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000020167822 171041069 /nfs/dbraw/zinc/04/10/69/171041069.db2.gz RBZBAAXMDDRYAU-CHWSQXEVSA-N 1 0 294.351 2.473 50 5 CEBARO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000071907937 176296868 /nfs/dbraw/zinc/29/68/68/176296868.db2.gz IAEFHCWRABXMAW-AWEZNQCLSA-N 1 0 278.352 2.496 50 5 CEBARO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)[NH2+]1 ZINC000000228935 274362161 /nfs/dbraw/zinc/36/21/61/274362161.db2.gz HZFONUHGJQMUKR-RKDXNWHRSA-N 1 0 269.732 2.435 50 5 CEBARO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000004004446 277914659 /nfs/dbraw/zinc/91/46/59/277914659.db2.gz PBQHFYMVOTZKJM-DTORHVGOSA-N 1 0 269.732 2.435 50 5 CEBARO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3OCCO3)CC2)cc1 ZINC000110084946 230394091 /nfs/dbraw/zinc/39/40/91/230394091.db2.gz FMSKWAGLGRYOAD-UHFFFAOYSA-N 1 0 292.335 2.180 50 5 CEBARO CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000000238647 361150272 /nfs/dbraw/zinc/15/02/72/361150272.db2.gz UYIORSOVURCUCU-UHFFFAOYSA-N 1 0 283.759 2.386 50 5 CEBARO CC[NH+](CC)CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000002743227 361247523 /nfs/dbraw/zinc/24/75/23/361247523.db2.gz JRKVGUCRQADDKA-UHFFFAOYSA-N 1 0 293.367 2.365 50 5 CEBARO COCCC[NH2+]CCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000003461311 361281641 /nfs/dbraw/zinc/28/16/41/361281641.db2.gz XQJOXYDROPOGAO-UHFFFAOYSA-N 1 0 282.340 2.298 50 5 CEBARO CC[N+](C)(C)C[C@H](C)OC(=O)c1ccc(OC)cc1 ZINC000003635315 361286765 /nfs/dbraw/zinc/28/67/65/361286765.db2.gz WPOBRFNRVXZNGH-LBPRGKRZSA-N 1 0 266.361 2.337 50 5 CEBARO CC(C)OCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000013718152 361438686 /nfs/dbraw/zinc/43/86/86/361438686.db2.gz GPAJYAKKKUTYLS-UHFFFAOYSA-N 1 0 252.314 2.500 50 5 CEBARO COCC[N@@H+]1CC[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088715931 363915238 /nfs/dbraw/zinc/91/52/38/363915238.db2.gz YUAFHTDQIXAHOM-CYBMUJFWSA-N 1 0 293.367 2.283 50 5 CEBARO COc1cc2c(cc1OC)[C@H](C)[N@@+](C)(C[C@@H](C)O)CC2 ZINC000252441044 371438093 /nfs/dbraw/zinc/43/80/93/371438093.db2.gz CDGPCRFXVCWTDY-BWACUDIHSA-N 1 0 280.388 2.148 50 5 CEBARO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000228068508 153354674 /nfs/dbraw/zinc/35/46/74/153354674.db2.gz GCLFEVMDWZLKTQ-MNOVXSKESA-N 1 0 252.314 2.152 50 5 CEBARO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](O)C1 ZINC000004988826 170050234 /nfs/dbraw/zinc/05/02/34/170050234.db2.gz ZPHKJRKWWFKLKH-VUUYWXRKSA-N 1 0 262.309 2.065 50 5 CEBARO C[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000061030240 175641975 /nfs/dbraw/zinc/64/19/75/175641975.db2.gz QNJSNSAFVNIKAQ-QMMMGPOBSA-N 1 0 264.281 2.212 50 5 CEBARO O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)c(Cl)c1 ZINC000004255869 275035982 /nfs/dbraw/zinc/03/59/82/275035982.db2.gz MVZOFBIWSFBCKA-UHFFFAOYSA-N 1 0 255.705 2.048 50 5 CEBARO