smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCS1(=O)=O ZINC000274753173 395973786 /nfs/dbraw/zinc/97/37/86/395973786.db2.gz VPVZBRTWFLFLSB-QMMMGPOBSA-N 0 2 314.319 0.560 10 5 DCBELN CN1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@H]21 ZINC000284382010 290112993 /nfs/dbraw/zinc/11/29/93/290112993.db2.gz ASWSTTIFZDQPHI-OCCSQVGLSA-N 0 2 321.333 0.846 10 5 DCBELN C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@H]21 ZINC000286442538 290113321 /nfs/dbraw/zinc/11/33/21/290113321.db2.gz QGQDASZMCJTHQG-YPMHNXCESA-N 0 2 321.333 0.846 10 5 DCBELN C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@H]21 ZINC000286442538 290113322 /nfs/dbraw/zinc/11/33/22/290113322.db2.gz QGQDASZMCJTHQG-YPMHNXCESA-N 0 2 321.333 0.846 10 5 DCBELN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)N1CCOCC1 ZINC000184644840 396300699 /nfs/dbraw/zinc/30/06/99/396300699.db2.gz YGMIAGZLEADDLQ-JTQLQIEISA-N 0 2 309.322 0.751 10 5 DCBELN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[NH+]1CCOCC1 ZINC000194745635 287062041 /nfs/dbraw/zinc/06/20/41/287062041.db2.gz ZBKLTECIOUMVOL-JTQLQIEISA-N 0 2 309.322 0.751 10 5 DCBELN C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315789 395838390 /nfs/dbraw/zinc/83/83/90/395838390.db2.gz VJEFCRPXWDWDIB-ZETCQYMHSA-N 0 2 302.308 0.463 10 5 DCBELN CC(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000560591754 396621115 /nfs/dbraw/zinc/62/11/15/396621115.db2.gz ILYPLOBXOKXTTA-SNVBAGLBSA-N 0 2 307.306 0.899 10 5 DCBELN CN1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]21 ZINC000159447946 523942750 /nfs/dbraw/zinc/94/27/50/523942750.db2.gz ZIJAKRVHLYUTIR-WCQYABFASA-N 0 2 307.306 0.455 10 5 DCBELN O=C(NC1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1)C1CC1 ZINC000189478726 527542408 /nfs/dbraw/zinc/54/24/08/527542408.db2.gz SCWXQELVZSDVQC-UHFFFAOYSA-N 0 2 305.290 0.651 10 5 DCBELN O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157929961 526551291 /nfs/dbraw/zinc/55/12/91/526551291.db2.gz SQYIIUHTAOZTCQ-GFCCVEGCSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157929961 526551297 /nfs/dbraw/zinc/55/12/97/526551297.db2.gz SQYIIUHTAOZTCQ-GFCCVEGCSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1)C1CC1 ZINC000189493375 527541395 /nfs/dbraw/zinc/54/13/95/527541395.db2.gz KGMSOWJEDNJVGQ-UHFFFAOYSA-N 0 2 305.290 0.651 10 5 DCBELN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000119069571 158182815 /nfs/dbraw/zinc/18/28/15/158182815.db2.gz RGBVKIMHZONSHP-LBPRGKRZSA-N 0 2 321.333 0.847 10 5 DCBELN CN1C(=O)N[C@@H]2CN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000285082741 415605350 /nfs/dbraw/zinc/60/53/50/415605350.db2.gz SBUALQHHMRXVQX-ZJUUUORDSA-N 0 2 320.305 0.539 10 5 DCBELN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000182055082 416214419 /nfs/dbraw/zinc/21/44/19/416214419.db2.gz IXGQYHSSUKJUHM-LBPRGKRZSA-N 0 2 321.333 0.847 10 5 DCBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCS1(=O)=O ZINC000265835722 296921325 /nfs/dbraw/zinc/92/13/25/296921325.db2.gz VUGVVVHATIIIQR-MRVPVSSYSA-N 0 2 314.319 0.560 10 5 DCBELN O=C(C[C@H]1SC(=O)NC1=O)Nc1ccc([N+](=O)[O-])cc1O ZINC000016905497 182064694 /nfs/dbraw/zinc/06/46/94/182064694.db2.gz GMQADRIGKDXWER-MRVPVSSYSA-N 0 2 311.275 0.981 10 5 DCBELN C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]21 ZINC000408298796 290096803 /nfs/dbraw/zinc/09/68/03/290096803.db2.gz QQPNIKWZQYUONY-DGCLKSJQSA-N 0 2 307.306 0.455 10 5 DCBELN C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]21 ZINC000408298796 290096807 /nfs/dbraw/zinc/09/68/07/290096807.db2.gz QQPNIKWZQYUONY-DGCLKSJQSA-N 0 2 307.306 0.455 10 5 DCBELN CC(=O)N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000582920894 337217947 /nfs/dbraw/zinc/21/79/47/337217947.db2.gz ALWFPEVBAMETAJ-JTQLQIEISA-N 0 2 307.306 0.899 10 5 DCBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN2CCOC[C@H]2C1 ZINC000363845191 262134128 /nfs/dbraw/zinc/13/41/28/262134128.db2.gz AQRZLIICTGKSBG-LLVKDONJSA-N 0 2 307.306 0.457 10 5 DCBELN C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]21 ZINC000408298797 290118960 /nfs/dbraw/zinc/11/89/60/290118960.db2.gz QQPNIKWZQYUONY-YPMHNXCESA-N 0 2 307.306 0.455 10 5 DCBELN C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]21 ZINC000408298797 290118963 /nfs/dbraw/zinc/11/89/63/290118963.db2.gz QQPNIKWZQYUONY-YPMHNXCESA-N 0 2 307.306 0.455 10 5 DCBELN Cc1nc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])no1 ZINC000173401557 664629036 /nfs/dbraw/zinc/62/90/36/664629036.db2.gz RBLSABAGCMVJNJ-UHFFFAOYSA-N 0 2 316.270 0.904 10 5 DCBELN CN1C(=O)N[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000408096039 417139811 /nfs/dbraw/zinc/13/98/11/417139811.db2.gz UUUGQOCTSGVGKN-PWSUYJOCSA-N 0 2 320.305 0.539 10 5 DCBELN CN1CCO[C@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000408073284 160029215 /nfs/dbraw/zinc/02/92/15/160029215.db2.gz KIIJEGFJHPIGDD-OLZOCXBDSA-N 0 2 307.306 0.455 10 5 DCBELN C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000164179308 416016439 /nfs/dbraw/zinc/01/64/39/416016439.db2.gz LDOVTOWKKAFYJS-SNVBAGLBSA-N 0 2 309.322 0.751 10 5 DCBELN C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@H]21 ZINC000408413782 290096827 /nfs/dbraw/zinc/09/68/27/290096827.db2.gz IKQVYINUEQEMQD-DGCLKSJQSA-N 0 2 307.306 0.455 10 5 DCBELN C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@H]21 ZINC000408413782 290096831 /nfs/dbraw/zinc/09/68/31/290096831.db2.gz IKQVYINUEQEMQD-DGCLKSJQSA-N 0 2 307.306 0.455 10 5 DCBELN CN1CCO[C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000408084122 290113139 /nfs/dbraw/zinc/11/31/39/290113139.db2.gz MVHOFVLKSSSOHZ-KGLIPLIRSA-N 0 2 321.333 0.846 10 5 DCBELN CN1C(=O)N[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC[C@@H]21 ZINC000286288862 289851291 /nfs/dbraw/zinc/85/12/91/289851291.db2.gz MQWYAGDVTBRDBQ-MNOVXSKESA-N 0 2 320.305 0.539 10 5 DCBELN C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000164179195 524718528 /nfs/dbraw/zinc/71/85/28/524718528.db2.gz LDOVTOWKKAFYJS-JTQLQIEISA-N 0 2 309.322 0.751 10 5 DCBELN O=C(NC1(CCO)CCOCC1)c1cc([N+](=O)[O-])ccc1O ZINC000613241228 397225773 /nfs/dbraw/zinc/22/57/73/397225773.db2.gz MMWFWKSDNGACTH-UHFFFAOYSA-N 0 2 310.306 0.962 10 5 DCBELN CC(=O)N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000593711346 397430699 /nfs/dbraw/zinc/43/06/99/397430699.db2.gz QCSSOGOLPRZSML-JTQLQIEISA-N 0 2 307.306 0.899 10 5 DCBELN O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182142825 416213808 /nfs/dbraw/zinc/21/38/08/416213808.db2.gz NWVCDDGZHSHBTK-NSHDSACASA-N 0 2 306.322 0.030 10 5 DCBELN O=C(N[C@H]1CCc2ncnn2C1)c1cc([N+](=O)[O-])ccc1O ZINC000182010413 199374461 /nfs/dbraw/zinc/37/44/61/199374461.db2.gz ILKLFCVSYDHNNC-QMMMGPOBSA-N 0 2 303.278 0.637 10 5 DCBELN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc([N+](=O)[O-])cc1O ZINC000186139746 303896550 /nfs/dbraw/zinc/89/65/50/303896550.db2.gz YIKKORCEPFPAKL-MRVPVSSYSA-N 0 2 303.278 0.637 10 5 DCBELN O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000151777580 395992658 /nfs/dbraw/zinc/99/26/58/395992658.db2.gz JCPTWWYSPZORBF-LLVKDONJSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000151777580 395992659 /nfs/dbraw/zinc/99/26/59/395992659.db2.gz JCPTWWYSPZORBF-LLVKDONJSA-N 0 2 321.333 0.893 10 5 DCBELN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)N1CCOCC1 ZINC000184644855 396300879 /nfs/dbraw/zinc/30/08/79/396300879.db2.gz YGMIAGZLEADDLQ-SNVBAGLBSA-N 0 2 309.322 0.751 10 5 DCBELN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[NH+]1CCOCC1 ZINC000194745652 287062132 /nfs/dbraw/zinc/06/21/32/287062132.db2.gz ZBKLTECIOUMVOL-SNVBAGLBSA-N 0 2 309.322 0.751 10 5 DCBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363845192 262134015 /nfs/dbraw/zinc/13/40/15/262134015.db2.gz AQRZLIICTGKSBG-NSHDSACASA-N 0 2 307.306 0.457 10 5 DCBELN CC(=O)N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000560591753 396621702 /nfs/dbraw/zinc/62/17/02/396621702.db2.gz ILYPLOBXOKXTTA-JTQLQIEISA-N 0 2 307.306 0.899 10 5 DCBELN CN1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]21 ZINC000159447814 290119080 /nfs/dbraw/zinc/11/90/80/290119080.db2.gz ZIJAKRVHLYUTIR-AAEUAGOBSA-N 0 2 307.306 0.455 10 5 DCBELN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])[NH+]1CCOCC1 ZINC000130392000 524724715 /nfs/dbraw/zinc/72/47/15/524724715.db2.gz IQZDCLWXUSUYED-JTQLQIEISA-N 0 2 309.322 0.751 10 5 DCBELN CN1CCO[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000378048792 290096165 /nfs/dbraw/zinc/09/61/65/290096165.db2.gz KIIJEGFJHPIGDD-QWHCGFSZSA-N 0 2 307.306 0.455 10 5 DCBELN C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21 ZINC000134388454 290097051 /nfs/dbraw/zinc/09/70/51/290097051.db2.gz QQPNIKWZQYUONY-WCQYABFASA-N 0 2 307.306 0.455 10 5 DCBELN C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21 ZINC000134388454 290097052 /nfs/dbraw/zinc/09/70/52/290097052.db2.gz QQPNIKWZQYUONY-WCQYABFASA-N 0 2 307.306 0.455 10 5 DCBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCS1(=O)=O ZINC000265835723 300194031 /nfs/dbraw/zinc/19/40/31/300194031.db2.gz VUGVVVHATIIIQR-QMMMGPOBSA-N 0 2 314.319 0.560 10 5 DCBELN O=C(NC1(CCO)CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000614015124 397361627 /nfs/dbraw/zinc/36/16/27/397361627.db2.gz ICCGKPZWZYHEKW-UHFFFAOYSA-N 0 2 310.306 0.962 10 5 DCBELN CN1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]21 ZINC000284382006 290113003 /nfs/dbraw/zinc/11/30/03/290113003.db2.gz ASWSTTIFZDQPHI-JSGCOSHPSA-N 0 2 321.333 0.846 10 5 DCBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000408070174 160028388 /nfs/dbraw/zinc/02/83/88/160028388.db2.gz FPDXLFTVQAGWMV-BDAKNGLRSA-N 0 2 305.290 0.794 10 5 DCBELN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2C([N+](=O)[O-])[C@H]1O ZINC000255986862 202917435 /nfs/dbraw/zinc/91/74/35/202917435.db2.gz MAAGUERFABWWEG-UCKQBZRPSA-N 0 2 311.290 0.478 10 5 DCBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCS1(=O)=O ZINC000274753171 211899645 /nfs/dbraw/zinc/89/96/45/211899645.db2.gz VPVZBRTWFLFLSB-MRVPVSSYSA-N 0 2 314.319 0.560 10 5 DCBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(=O)N(CC2CC2)C1 ZINC000586816111 396667513 /nfs/dbraw/zinc/66/75/13/396667513.db2.gz ZFACZBWPMQCEBR-UHFFFAOYSA-N 0 2 305.290 0.952 10 5 DCBELN O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182142807 158490988 /nfs/dbraw/zinc/49/09/88/158490988.db2.gz NWVCDDGZHSHBTK-LLVKDONJSA-N 0 2 306.322 0.030 10 5 DCBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@@H+]1CCO ZINC000187298582 200090924 /nfs/dbraw/zinc/09/09/24/200090924.db2.gz XEZYVJSZJHDVFC-SNVBAGLBSA-N 0 2 309.322 0.439 10 5 DCBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1CCO ZINC000187298582 200090926 /nfs/dbraw/zinc/09/09/26/200090926.db2.gz XEZYVJSZJHDVFC-SNVBAGLBSA-N 0 2 309.322 0.439 10 5 DCBELN CN1CCO[C@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000408073286 290118941 /nfs/dbraw/zinc/11/89/41/290118941.db2.gz KIIJEGFJHPIGDD-STQMWFEESA-N 0 2 307.306 0.455 10 5 DCBELN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000119069667 395866842 /nfs/dbraw/zinc/86/68/42/395866842.db2.gz RGBVKIMHZONSHP-GFCCVEGCSA-N 0 2 321.333 0.847 10 5 DCBELN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000182055106 416213686 /nfs/dbraw/zinc/21/36/86/416213686.db2.gz IXGQYHSSUKJUHM-GFCCVEGCSA-N 0 2 321.333 0.847 10 5 DCBELN CN1CCO[C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000408084124 290084750 /nfs/dbraw/zinc/08/47/50/290084750.db2.gz MVHOFVLKSSSOHZ-ZIAGYGMSSA-N 0 2 321.333 0.846 10 5 DCBELN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000154901516 526778386 /nfs/dbraw/zinc/77/83/86/526778386.db2.gz KLHVKVUNGGRTSV-LLVKDONJSA-N 0 2 321.333 0.847 10 5 DCBELN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000154901411 526778538 /nfs/dbraw/zinc/77/85/38/526778538.db2.gz KLHVKVUNGGRTSV-NSHDSACASA-N 0 2 321.333 0.847 10 5 DCBELN O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000151777667 395991956 /nfs/dbraw/zinc/99/19/56/395991956.db2.gz JCPTWWYSPZORBF-NSHDSACASA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000151777667 395991961 /nfs/dbraw/zinc/99/19/61/395991961.db2.gz JCPTWWYSPZORBF-NSHDSACASA-N 0 2 321.333 0.893 10 5 DCBELN O=C1[C@H]([N@H+]2CCNC(=O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131380 158137044 /nfs/dbraw/zinc/13/70/44/158137044.db2.gz VISWPPUBZCTRAL-CYBMUJFWSA-N 0 2 318.333 0.522 10 5 DCBELN O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164656290 158363308 /nfs/dbraw/zinc/36/33/08/158363308.db2.gz AOZPRCHDJWPHHL-GFCCVEGCSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164656290 158363309 /nfs/dbraw/zinc/36/33/09/158363309.db2.gz AOZPRCHDJWPHHL-GFCCVEGCSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCS(=O)(=O)CC1 ZINC000236560331 261155196 /nfs/dbraw/zinc/15/51/96/261155196.db2.gz VUIDBNNULGCPIY-UHFFFAOYSA-N 0 2 314.319 0.561 10 5 DCBELN CN1CCO[C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000408084121 290113316 /nfs/dbraw/zinc/11/33/16/290113316.db2.gz MVHOFVLKSSSOHZ-KBPBESRZSA-N 0 2 321.333 0.846 10 5 DCBELN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])[NH+]1CCOCC1 ZINC000130392225 524469772 /nfs/dbraw/zinc/46/97/72/524469772.db2.gz IQZDCLWXUSUYED-SNVBAGLBSA-N 0 2 309.322 0.751 10 5 DCBELN C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@H]21 ZINC000408413784 290119313 /nfs/dbraw/zinc/11/93/13/290119313.db2.gz IKQVYINUEQEMQD-YPMHNXCESA-N 0 2 307.306 0.455 10 5 DCBELN C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@H]21 ZINC000408413784 290119315 /nfs/dbraw/zinc/11/93/15/290119315.db2.gz IKQVYINUEQEMQD-YPMHNXCESA-N 0 2 307.306 0.455 10 5 DCBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@@H+]1CCO ZINC000187298598 200091253 /nfs/dbraw/zinc/09/12/53/200091253.db2.gz XEZYVJSZJHDVFC-JTQLQIEISA-N 0 2 309.322 0.439 10 5 DCBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1CCO ZINC000187298598 200091254 /nfs/dbraw/zinc/09/12/54/200091254.db2.gz XEZYVJSZJHDVFC-JTQLQIEISA-N 0 2 309.322 0.439 10 5 DCBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(C2CC2)C(=O)C1 ZINC000577970098 397376575 /nfs/dbraw/zinc/37/65/75/397376575.db2.gz WBXKUVSQAJCDLJ-UHFFFAOYSA-N 0 2 305.290 0.747 10 5 DCBELN O=C(NC1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1)C1CC1 ZINC000189421283 527541558 /nfs/dbraw/zinc/54/15/58/527541558.db2.gz HWHVIHWWDLZNRY-UHFFFAOYSA-N 0 2 305.290 0.651 10 5 DCBELN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181853646 199362178 /nfs/dbraw/zinc/36/21/78/199362178.db2.gz JTZULXYKHODIHG-LLVKDONJSA-N 0 2 307.306 0.993 10 5 DCBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](N2CCOCC2)C1 ZINC000159411994 396067806 /nfs/dbraw/zinc/06/78/06/396067806.db2.gz SPEWUVBUSWWWFO-LBPRGKRZSA-N 0 2 321.333 0.847 10 5 DCBELN CC(=O)N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000593711349 397430886 /nfs/dbraw/zinc/43/08/86/397430886.db2.gz QCSSOGOLPRZSML-SNVBAGLBSA-N 0 2 307.306 0.899 10 5 DCBELN C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC000286442508 290113064 /nfs/dbraw/zinc/11/30/64/290113064.db2.gz QGQDASZMCJTHQG-AAEUAGOBSA-N 0 2 321.333 0.846 10 5 DCBELN C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC000286442508 290113068 /nfs/dbraw/zinc/11/30/68/290113068.db2.gz QGQDASZMCJTHQG-AAEUAGOBSA-N 0 2 321.333 0.846 10 5 DCBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](N2CCOCC2)C1 ZINC000159412159 304534177 /nfs/dbraw/zinc/53/41/77/304534177.db2.gz SPEWUVBUSWWWFO-GFCCVEGCSA-N 0 2 321.333 0.847 10 5 DCBELN CN1CCO[C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000408084123 290084870 /nfs/dbraw/zinc/08/48/70/290084870.db2.gz MVHOFVLKSSSOHZ-UONOGXRCSA-N 0 2 321.333 0.846 10 5 DCBELN CN(CCS(C)(=O)=O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315972 765675267 /nfs/dbraw/zinc/67/52/67/765675267.db2.gz YYKNNZRPHFBMFE-UHFFFAOYSA-N 0 2 302.308 0.417 10 5 DCBELN O=[N+]([O-])c1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005598869 181262449 /nfs/dbraw/zinc/26/24/49/181262449.db2.gz ALPTYASEADTYHH-JTQLQIEISA-N 0 2 320.348 0.524 10 5 DCBELN CN1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@H]21 ZINC000408410804 290096536 /nfs/dbraw/zinc/09/65/36/290096536.db2.gz ZIJAKRVHLYUTIR-DGCLKSJQSA-N 0 2 307.306 0.455 10 5 DCBELN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173978710 396137224 /nfs/dbraw/zinc/13/72/24/396137224.db2.gz HPQXVIBRPIKITC-LBPRGKRZSA-N 0 2 321.333 0.847 10 5 DCBELN O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179500473 416189241 /nfs/dbraw/zinc/18/92/41/416189241.db2.gz GIGSXXBMQDDVAL-GFCCVEGCSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179500473 416189244 /nfs/dbraw/zinc/18/92/44/416189244.db2.gz GIGSXXBMQDDVAL-GFCCVEGCSA-N 0 2 321.333 0.893 10 5 DCBELN CN1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@H]21 ZINC000284382015 290084960 /nfs/dbraw/zinc/08/49/60/290084960.db2.gz ASWSTTIFZDQPHI-TZMCWYRMSA-N 0 2 321.333 0.846 10 5 DCBELN O=C(N[C@H]1CCc2ncnn2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000112725506 395823447 /nfs/dbraw/zinc/82/34/47/395823447.db2.gz NYIJHTPZILKKLP-VIFPVBQESA-N 0 2 303.278 0.637 10 5 DCBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN2CCOC[C@@H]2C1 ZINC000369386968 304504735 /nfs/dbraw/zinc/50/47/35/304504735.db2.gz AWOLXNDJYRIKDT-NSHDSACASA-N 0 2 307.306 0.457 10 5 DCBELN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000581087526 396525872 /nfs/dbraw/zinc/52/58/72/396525872.db2.gz OMCGSWNPJLVJRC-ZETCQYMHSA-N 0 2 302.308 0.463 10 5 DCBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN2CCOC[C@H]2C1 ZINC000368638189 397424090 /nfs/dbraw/zinc/42/40/90/397424090.db2.gz XRYHDNVYXOMJSE-LLVKDONJSA-N 0 2 307.306 0.457 10 5 DCBELN C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@H]21 ZINC000286442518 290084564 /nfs/dbraw/zinc/08/45/64/290084564.db2.gz QGQDASZMCJTHQG-DGCLKSJQSA-N 0 2 321.333 0.846 10 5 DCBELN C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@H]21 ZINC000286442518 290084569 /nfs/dbraw/zinc/08/45/69/290084569.db2.gz QGQDASZMCJTHQG-DGCLKSJQSA-N 0 2 321.333 0.846 10 5 DCBELN COC(=O)c1cc(C)nc(Nc2ccn(CCO)n2)c1[N+](=O)[O-] ZINC000561209165 416859141 /nfs/dbraw/zinc/85/91/41/416859141.db2.gz OPBJAIDEHGBKIN-UHFFFAOYSA-N 0 2 321.293 1.017 10 5 DCBELN Cc1cc(S(=O)(=O)Nc2nnn(C)n2)cc([N+](=O)[O-])c1F ZINC000164574958 666676410 /nfs/dbraw/zinc/67/64/10/666676410.db2.gz IGLSRUDXBCDUJG-UHFFFAOYSA-N 0 2 316.274 0.367 10 5 DCBELN O=C(N[C@H]1CCc2ncnn2C1)c1ccc([N+](=O)[O-])cc1O ZINC000186139766 303985796 /nfs/dbraw/zinc/98/57/96/303985796.db2.gz YIKKORCEPFPAKL-QMMMGPOBSA-N 0 2 303.278 0.637 10 5 DCBELN CS(=O)(=O)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235015737 395891936 /nfs/dbraw/zinc/89/19/36/395891936.db2.gz BSZYAXKKQNRYMJ-UHFFFAOYSA-N 0 2 302.308 0.465 10 5 DCBELN O=C(C[C@@H]1SC(=O)NC1=O)Nc1ccc([N+](=O)[O-])cc1O ZINC000016905496 182064582 /nfs/dbraw/zinc/06/45/82/182064582.db2.gz GMQADRIGKDXWER-QMMMGPOBSA-N 0 2 311.275 0.981 10 5 DCBELN O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000127537950 158274422 /nfs/dbraw/zinc/27/44/22/158274422.db2.gz FOCKGSIZEARROG-GFCCVEGCSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000127537950 158274425 /nfs/dbraw/zinc/27/44/25/158274425.db2.gz FOCKGSIZEARROG-GFCCVEGCSA-N 0 2 321.333 0.893 10 5 DCBELN Cn1nnc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000313655910 1190397140 /nfs/dbraw/zinc/39/71/40/1190397140.db2.gz KDVKZPFWKSTWOA-UHFFFAOYSA-N 0 2 302.247 0.058 10 5 DCBELN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[NH+]1CCOCC1 ZINC000029960809 395701180 /nfs/dbraw/zinc/70/11/80/395701180.db2.gz OHYVGHDQAGRBDA-JTQLQIEISA-N 0 2 309.322 0.751 10 5 DCBELN CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2C([N+](=O)[O-])[C@H]1O ZINC000255986861 202916786 /nfs/dbraw/zinc/91/67/86/202916786.db2.gz MAAGUERFABWWEG-FAYOZSNISA-N 0 2 311.290 0.478 10 5 DCBELN O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000127538137 158274536 /nfs/dbraw/zinc/27/45/36/158274536.db2.gz FOCKGSIZEARROG-LBPRGKRZSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000127538137 158274539 /nfs/dbraw/zinc/27/45/39/158274539.db2.gz FOCKGSIZEARROG-LBPRGKRZSA-N 0 2 321.333 0.893 10 5 DCBELN CN1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]21 ZINC000284382001 290084531 /nfs/dbraw/zinc/08/45/31/290084531.db2.gz ASWSTTIFZDQPHI-GXTWGEPZSA-N 0 2 321.333 0.846 10 5 DCBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(C2CC2)C(=O)C1 ZINC000610497497 397826730 /nfs/dbraw/zinc/82/67/30/397826730.db2.gz MADZLMYKSOOBSG-UHFFFAOYSA-N 0 2 305.290 0.747 10 5 DCBELN CC(=O)N1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000318603308 278002665 /nfs/dbraw/zinc/00/26/65/278002665.db2.gz WBLDOLIMKMBTKW-UHFFFAOYSA-N 0 2 307.306 0.995 10 5 DCBELN O=[N+]([O-])c1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005598868 181262250 /nfs/dbraw/zinc/26/22/50/181262250.db2.gz ALPTYASEADTYHH-SNVBAGLBSA-N 0 2 320.348 0.524 10 5 DCBELN CN1C(=O)N[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC[C@@H]21 ZINC000286400359 396393053 /nfs/dbraw/zinc/39/30/53/396393053.db2.gz QXGBPNACKVHPDA-ZJUUUORDSA-N 0 2 320.305 0.539 10 5 DCBELN CC(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000582920895 337217886 /nfs/dbraw/zinc/21/78/86/337217886.db2.gz ALWFPEVBAMETAJ-SNVBAGLBSA-N 0 2 307.306 0.899 10 5 DCBELN O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157930088 526621912 /nfs/dbraw/zinc/62/19/12/526621912.db2.gz SQYIIUHTAOZTCQ-LBPRGKRZSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157930088 526621917 /nfs/dbraw/zinc/62/19/17/526621917.db2.gz SQYIIUHTAOZTCQ-LBPRGKRZSA-N 0 2 321.333 0.893 10 5 DCBELN C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@@H]21 ZINC000119213653 415741818 /nfs/dbraw/zinc/74/18/18/415741818.db2.gz IKQVYINUEQEMQD-WCQYABFASA-N 0 2 307.306 0.455 10 5 DCBELN C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@@H]21 ZINC000119213653 415741823 /nfs/dbraw/zinc/74/18/23/415741823.db2.gz IKQVYINUEQEMQD-WCQYABFASA-N 0 2 307.306 0.455 10 5 DCBELN O=C(N[C@@H]1CCc2ncnn2C1)c1cc([N+](=O)[O-])ccc1O ZINC000182010392 199374471 /nfs/dbraw/zinc/37/44/71/199374471.db2.gz ILKLFCVSYDHNNC-MRVPVSSYSA-N 0 2 303.278 0.637 10 5 DCBELN O=C1[C@@H]([N@H+]2CCNC(=O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131379 158136721 /nfs/dbraw/zinc/13/67/21/158136721.db2.gz VISWPPUBZCTRAL-ZDUSSCGKSA-N 0 2 318.333 0.522 10 5 DCBELN CN1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@H]21 ZINC000408410805 160102872 /nfs/dbraw/zinc/10/28/72/160102872.db2.gz ZIJAKRVHLYUTIR-YPMHNXCESA-N 0 2 307.306 0.455 10 5 DCBELN C[C@H](CS(C)(=O)=O)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315790 395838343 /nfs/dbraw/zinc/83/83/43/395838343.db2.gz VJEFCRPXWDWDIB-SSDOTTSWSA-N 0 2 302.308 0.463 10 5 DCBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN2CCOC[C@H]2C1 ZINC000369386965 304504578 /nfs/dbraw/zinc/50/45/78/304504578.db2.gz AWOLXNDJYRIKDT-LLVKDONJSA-N 0 2 307.306 0.457 10 5 DCBELN CCS(=O)(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000227880913 664540565 /nfs/dbraw/zinc/54/05/65/664540565.db2.gz XOQDBOKEYXUVDZ-UHFFFAOYSA-N 0 2 302.308 0.465 10 5 DCBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(=S)N1CCOCC1 ZINC000256029723 396032907 /nfs/dbraw/zinc/03/29/07/396032907.db2.gz DEVHWPJRXWANCE-UHFFFAOYSA-N 0 2 311.319 0.899 10 5 DCBELN O=C(NC1(CCO)CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000613241183 397225464 /nfs/dbraw/zinc/22/54/64/397225464.db2.gz KBRNGDBWVJDNQD-UHFFFAOYSA-N 0 2 310.306 0.962 10 5 DCBELN C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@@H]21 ZINC000119213491 415741518 /nfs/dbraw/zinc/74/15/18/415741518.db2.gz IKQVYINUEQEMQD-AAEUAGOBSA-N 0 2 307.306 0.455 10 5 DCBELN C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@@H]21 ZINC000119213491 415741523 /nfs/dbraw/zinc/74/15/23/415741523.db2.gz IKQVYINUEQEMQD-AAEUAGOBSA-N 0 2 307.306 0.455 10 5 DCBELN O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179500482 416188135 /nfs/dbraw/zinc/18/81/35/416188135.db2.gz GIGSXXBMQDDVAL-LBPRGKRZSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179500482 416188138 /nfs/dbraw/zinc/18/81/38/416188138.db2.gz GIGSXXBMQDDVAL-LBPRGKRZSA-N 0 2 321.333 0.893 10 5 DCBELN C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000581087525 396526089 /nfs/dbraw/zinc/52/60/89/396526089.db2.gz OMCGSWNPJLVJRC-SSDOTTSWSA-N 0 2 302.308 0.463 10 5 DCBELN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000112725505 303896598 /nfs/dbraw/zinc/89/65/98/303896598.db2.gz NYIJHTPZILKKLP-SECBINFHSA-N 0 2 303.278 0.637 10 5 DCBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCS(=O)(=O)CC1 ZINC000236560401 395894531 /nfs/dbraw/zinc/89/45/31/395894531.db2.gz CIWDBGYKDOCEMC-UHFFFAOYSA-N 0 2 300.292 0.171 10 5 DCBELN O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164656389 158363263 /nfs/dbraw/zinc/36/32/63/158363263.db2.gz AOZPRCHDJWPHHL-LBPRGKRZSA-N 0 2 321.333 0.893 10 5 DCBELN O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164656389 158363264 /nfs/dbraw/zinc/36/32/64/158363264.db2.gz AOZPRCHDJWPHHL-LBPRGKRZSA-N 0 2 321.333 0.893 10 5 DCBELN CN1CCO[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000408073280 290096275 /nfs/dbraw/zinc/09/62/75/290096275.db2.gz KIIJEGFJHPIGDD-CHWSQXEVSA-N 0 2 307.306 0.455 10 5 DCBELN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[NH+]1CCOCC1 ZINC000029960812 395701010 /nfs/dbraw/zinc/70/10/10/395701010.db2.gz OHYVGHDQAGRBDA-SNVBAGLBSA-N 0 2 309.322 0.751 10 5 DCBELN C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21 ZINC000134388429 287016208 /nfs/dbraw/zinc/01/62/08/287016208.db2.gz QQPNIKWZQYUONY-AAEUAGOBSA-N 0 2 307.306 0.455 10 5 DCBELN C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21 ZINC000134388429 287016209 /nfs/dbraw/zinc/01/62/09/287016209.db2.gz QQPNIKWZQYUONY-AAEUAGOBSA-N 0 2 307.306 0.455 10 5 DCBELN CN1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C(C)(C)C1=O ZINC000281261994 290032015 /nfs/dbraw/zinc/03/20/15/290032015.db2.gz PBYLLCRYCDMUTL-UHFFFAOYSA-N 0 2 307.306 0.993 10 5 DCBELN C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC000286442526 290084988 /nfs/dbraw/zinc/08/49/88/290084988.db2.gz QGQDASZMCJTHQG-WCQYABFASA-N 0 2 321.333 0.846 10 5 DCBELN C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC000286442526 290084991 /nfs/dbraw/zinc/08/49/91/290084991.db2.gz QGQDASZMCJTHQG-WCQYABFASA-N 0 2 321.333 0.846 10 5 DCBELN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173978722 304531035 /nfs/dbraw/zinc/53/10/35/304531035.db2.gz HPQXVIBRPIKITC-GFCCVEGCSA-N 0 2 321.333 0.847 10 5 DCBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN2CCOC[C@@H]2C1 ZINC000368638190 397423682 /nfs/dbraw/zinc/42/36/82/397423682.db2.gz XRYHDNVYXOMJSE-NSHDSACASA-N 0 2 307.306 0.457 10 5 DCBELN CC(=O)N1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000373840307 278002742 /nfs/dbraw/zinc/00/27/42/278002742.db2.gz XAQVJTOFICEQFO-UHFFFAOYSA-N 0 2 307.306 0.995 10 5 DCBELN