smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2cc3c(ccn(C4CCCCCC4)c3=O)nc2ccn1CC[NH+]1CCOCC1 ZINC000038829340 558816268 /nfs/dbraw/zinc/81/62/68/558816268.db2.gz ULTGRPKORPSIGK-UHFFFAOYSA-N 1 2 422.529 2.939 40 5 HFBBLO COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)[N@H+]3CCC[C@@H]23)cc1 ZINC000408567775 559218193 /nfs/dbraw/zinc/21/81/93/559218193.db2.gz RHYRRVXJDJJTPF-JZJXAQOMSA-N 1 2 407.426 2.528 40 5 HFBBLO COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)[N@@H+]3CCC[C@@H]23)cc1 ZINC000408567775 559218194 /nfs/dbraw/zinc/21/81/94/559218194.db2.gz RHYRRVXJDJJTPF-JZJXAQOMSA-N 1 2 407.426 2.528 40 5 HFBBLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccnc2)[nH+]1 ZINC000329008123 571305930 /nfs/dbraw/zinc/30/59/30/571305930.db2.gz LPQMSQSVCBLSGW-GOSISDBHSA-N 1 2 408.462 3.488 40 5 HFBBLO O=C(C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000004908990 559199424 /nfs/dbraw/zinc/19/94/24/559199424.db2.gz IXWJZZPUOMRNRV-UHFFFAOYSA-N 1 2 415.425 2.959 40 5 HFBBLO O=C(C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000004908984 560617980 /nfs/dbraw/zinc/61/79/80/560617980.db2.gz MHZOSFGZJHYWQN-UHFFFAOYSA-N 1 2 403.483 2.630 40 5 HFBBLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)[nH+]1 ZINC000329057283 571305851 /nfs/dbraw/zinc/30/58/51/571305851.db2.gz VXDHAJIRFOBFKG-LJQANCHMSA-N 1 2 408.462 3.488 40 5 HFBBLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015674875 291215754 /nfs/dbraw/zinc/21/57/54/291215754.db2.gz MCZNGLOEZRAVBF-MOPGFXCFSA-N 1 2 423.429 2.911 40 5 biogenic,in-vitro HFBBLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015674875 291215755 /nfs/dbraw/zinc/21/57/55/291215755.db2.gz MCZNGLOEZRAVBF-MOPGFXCFSA-N 1 2 423.429 2.911 40 5 biogenic,in-vitro HFBBLO COc1ccccc1[C@H]1[C@H]2SC(=[NH2+])NC2=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016228425 569030065 /nfs/dbraw/zinc/03/00/65/569030065.db2.gz QAFRUPKHGMKQQW-LSDHHAIUSA-N 1 2 414.403 2.817 40 5 HFBBLO COc1ccc(NC(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000004909019 560617963 /nfs/dbraw/zinc/61/79/63/560617963.db2.gz LQNUMPBEJMBQBC-UHFFFAOYSA-N 1 2 418.494 2.703 40 5 HFBBLO COc1cc(Cl)c([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC ZINC000408569716 559218568 /nfs/dbraw/zinc/21/85/68/559218568.db2.gz XELHHTRKORBTQX-IEHOFBCGSA-N 1 2 417.849 2.925 40 5 HFBBLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000261365074 568819514 /nfs/dbraw/zinc/81/95/14/568819514.db2.gz PVHMBEPHSLECME-GOSISDBHSA-O 1 2 410.435 2.680 40 5 HFBBLO Cc1cc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000022438209 568767785 /nfs/dbraw/zinc/76/77/85/568767785.db2.gz UCNZGLNZXCJOLR-UHFFFAOYSA-N 1 2 414.487 2.862 40 5 HFBBLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000261363389 568819631 /nfs/dbraw/zinc/81/96/31/568819631.db2.gz HCQCUWXSGPLVTC-SFHVURJKSA-O 1 2 410.435 2.680 40 5 HFBBLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccnc2)[nH+]1 ZINC000329005826 571305950 /nfs/dbraw/zinc/30/59/50/571305950.db2.gz KZIKJZMZXMTUSQ-LJQANCHMSA-N 1 2 408.462 3.488 40 5 HFBBLO COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)[N@H+]3CCC[C@@H]23)cc1 ZINC000408567778 559218476 /nfs/dbraw/zinc/21/84/76/559218476.db2.gz RHYRRVXJDJJTPF-LMVRJCEZSA-N 1 2 407.426 2.528 40 5 HFBBLO COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)[N@@H+]3CCC[C@@H]23)cc1 ZINC000408567778 559218478 /nfs/dbraw/zinc/21/84/78/559218478.db2.gz RHYRRVXJDJJTPF-LMVRJCEZSA-N 1 2 407.426 2.528 40 5 HFBBLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000261364562 568819602 /nfs/dbraw/zinc/81/96/02/568819602.db2.gz MFDPGUNIRGTHCF-GOSISDBHSA-O 1 2 410.435 2.680 40 5 HFBBLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccncc2)[nH+]1 ZINC000329028597 571305996 /nfs/dbraw/zinc/30/59/96/571305996.db2.gz PVZINCXRTOOJOJ-GOSISDBHSA-N 1 2 408.462 3.488 40 5 HFBBLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccncc2)[nH+]1 ZINC000328970759 571306075 /nfs/dbraw/zinc/30/60/75/571306075.db2.gz DMANPCFCXKFEBU-LJQANCHMSA-N 1 2 408.462 3.488 40 5 HFBBLO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O ZINC000034847916 557018325 /nfs/dbraw/zinc/01/83/25/557018325.db2.gz QWNBLHFUXGLTON-MDNKFWRPSA-N 1 2 419.437 2.738 40 5 HFBBLO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O ZINC000034847916 557018328 /nfs/dbraw/zinc/01/83/28/557018328.db2.gz QWNBLHFUXGLTON-MDNKFWRPSA-N 1 2 419.437 2.738 40 5 HFBBLO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000022438205 568767930 /nfs/dbraw/zinc/76/79/30/568767930.db2.gz RKZVUESWEBECKU-UHFFFAOYSA-N 1 2 414.487 2.862 40 5 HFBBLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccnc2)[nH+]1 ZINC000329008124 571306122 /nfs/dbraw/zinc/30/61/22/571306122.db2.gz LPQMSQSVCBLSGW-SFHVURJKSA-N 1 2 408.462 3.488 40 5 HFBBLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000261363387 569413484 /nfs/dbraw/zinc/41/34/84/569413484.db2.gz HCQCUWXSGPLVTC-GOSISDBHSA-O 1 2 410.435 2.680 40 5 HFBBLO CC(C)[C@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)[nH+]1 ZINC000329057281 571306128 /nfs/dbraw/zinc/30/61/28/571306128.db2.gz VXDHAJIRFOBFKG-IBGZPJMESA-N 1 2 408.462 3.488 40 5 HFBBLO COc1cc(Cl)c([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC ZINC000408569715 559218410 /nfs/dbraw/zinc/21/84/10/559218410.db2.gz XELHHTRKORBTQX-GKOWETKXSA-N 1 2 417.849 2.925 40 5 HFBBLO COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)[N@H+]3CCC[C@@H]23)cc1 ZINC000408567770 559218412 /nfs/dbraw/zinc/21/84/12/559218412.db2.gz RHYRRVXJDJJTPF-JYLXEMOASA-N 1 2 407.426 2.528 40 5 HFBBLO COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)[N@@H+]3CCC[C@@H]23)cc1 ZINC000408567770 559218415 /nfs/dbraw/zinc/21/84/15/559218415.db2.gz RHYRRVXJDJJTPF-JYLXEMOASA-N 1 2 407.426 2.528 40 5 HFBBLO COc1cc(Cl)c([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC ZINC000408569718 559218578 /nfs/dbraw/zinc/21/85/78/559218578.db2.gz XELHHTRKORBTQX-YMUVEIQISA-N 1 2 417.849 2.925 40 5 HFBBLO O=C1CCCN1C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000306127711 568900660 /nfs/dbraw/zinc/90/06/60/568900660.db2.gz GFLHNVRLLUGWJJ-FOIQADDNSA-N 1 2 423.897 2.621 40 5 HFBBLO O=C1CCCN1C[C@H]1CC[C@@]2(COCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000306127711 568900662 /nfs/dbraw/zinc/90/06/62/568900662.db2.gz GFLHNVRLLUGWJJ-FOIQADDNSA-N 1 2 423.897 2.621 40 5 HFBBLO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)[N@H+]1CCC[C@@H]21 ZINC000009331981 569392358 /nfs/dbraw/zinc/39/23/58/569392358.db2.gz QWNBLHFUXGLTON-FFGOWVMKSA-N 1 2 419.437 2.738 40 5 HFBBLO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)[N@@H+]1CCC[C@@H]21 ZINC000009331981 569392359 /nfs/dbraw/zinc/39/23/59/569392359.db2.gz QWNBLHFUXGLTON-FFGOWVMKSA-N 1 2 419.437 2.738 40 5 HFBBLO CC(C)[C@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccncc2)[nH+]1 ZINC000329051421 571306231 /nfs/dbraw/zinc/30/62/31/571306231.db2.gz UWUWYJCGQSITSA-IBGZPJMESA-N 1 2 408.462 3.488 40 5 HFBBLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccncc2)[nH+]1 ZINC000329028599 571306309 /nfs/dbraw/zinc/30/63/09/571306309.db2.gz PVZINCXRTOOJOJ-SFHVURJKSA-N 1 2 408.462 3.488 40 5 HFBBLO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000306127713 568900508 /nfs/dbraw/zinc/90/05/08/568900508.db2.gz GFLHNVRLLUGWJJ-QRWLVFNGSA-N 1 2 423.897 2.621 40 5 HFBBLO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000306127713 568900510 /nfs/dbraw/zinc/90/05/10/568900510.db2.gz GFLHNVRLLUGWJJ-QRWLVFNGSA-N 1 2 423.897 2.621 40 5 HFBBLO COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000019804910 569430547 /nfs/dbraw/zinc/43/05/47/569430547.db2.gz TVNMCLBIALHYCC-ZJDLJICXSA-N 1 2 409.442 2.758 40 5 HFBBLO COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000019804910 569430548 /nfs/dbraw/zinc/43/05/48/569430548.db2.gz TVNMCLBIALHYCC-ZJDLJICXSA-N 1 2 409.442 2.758 40 5 HFBBLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccncc2)[nH+]1 ZINC000329051422 571306016 /nfs/dbraw/zinc/30/60/16/571306016.db2.gz UWUWYJCGQSITSA-LJQANCHMSA-N 1 2 408.462 3.488 40 5 HFBBLO COc1ccccc1[C@@H]1[C@@H]2SC(=[NH2+])NC2=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000136774467 560770870 /nfs/dbraw/zinc/77/08/70/560770870.db2.gz QAFRUPKHGMKQQW-CABCVRRESA-N 1 2 414.403 2.817 40 5 HFBBLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015674853 291230125 /nfs/dbraw/zinc/23/01/25/291230125.db2.gz XZCHWTLSQVOXIB-SJORKVTESA-N 1 2 411.374 2.861 40 5 biogenic,in-vitro HFBBLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015674853 291230127 /nfs/dbraw/zinc/23/01/27/291230127.db2.gz XZCHWTLSQVOXIB-SJORKVTESA-N 1 2 411.374 2.861 40 5 biogenic,in-vitro HFBBLO COc1ccccc1[C@@H]1[C@H]2SC(=[NH2+])NC2=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016228423 524764104 /nfs/dbraw/zinc/76/41/04/524764104.db2.gz QAFRUPKHGMKQQW-HUUCEWRRSA-N 1 2 414.403 2.817 40 5 HFBBLO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@H]2C(=O)c1ccccc1 ZINC000104117997 560848243 /nfs/dbraw/zinc/84/82/43/560848243.db2.gz QWNBLHFUXGLTON-AFYVEPGGSA-N 1 2 419.437 2.738 40 5 HFBBLO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@H]2C(=O)c1ccccc1 ZINC000104117997 560848245 /nfs/dbraw/zinc/84/82/45/560848245.db2.gz QWNBLHFUXGLTON-AFYVEPGGSA-N 1 2 419.437 2.738 40 5 HFBBLO O=C1CCCN1C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000306127712 568900632 /nfs/dbraw/zinc/90/06/32/568900632.db2.gz GFLHNVRLLUGWJJ-MGPUTAFESA-N 1 2 423.897 2.621 40 5 HFBBLO O=C1CCCN1C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000306127712 568900635 /nfs/dbraw/zinc/90/06/35/568900635.db2.gz GFLHNVRLLUGWJJ-MGPUTAFESA-N 1 2 423.897 2.621 40 5 HFBBLO CC(C)[C@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccncc2)[nH+]1 ZINC000328970753 571306258 /nfs/dbraw/zinc/30/62/58/571306258.db2.gz DMANPCFCXKFEBU-IBGZPJMESA-N 1 2 408.462 3.488 40 5 HFBBLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000261365075 568819578 /nfs/dbraw/zinc/81/95/78/568819578.db2.gz PVHMBEPHSLECME-SFHVURJKSA-O 1 2 410.435 2.680 40 5 HFBBLO CC(C)[C@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccnc2)[nH+]1 ZINC000329005824 571306174 /nfs/dbraw/zinc/30/61/74/571306174.db2.gz KZIKJZMZXMTUSQ-IBGZPJMESA-N 1 2 408.462 3.488 40 5 HFBBLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000261364563 568819523 /nfs/dbraw/zinc/81/95/23/568819523.db2.gz MFDPGUNIRGTHCF-SFHVURJKSA-O 1 2 410.435 2.680 40 5 HFBBLO COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)[N@H+]3CCC[C@@H]23)cc1 ZINC000408567782 559219147 /nfs/dbraw/zinc/21/91/47/559219147.db2.gz RHYRRVXJDJJTPF-WEMPKCCASA-N 1 2 407.426 2.528 40 5 HFBBLO COC(=O)c1ccc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)[N@@H+]3CCC[C@@H]23)cc1 ZINC000408567782 559219148 /nfs/dbraw/zinc/21/91/48/559219148.db2.gz RHYRRVXJDJJTPF-WEMPKCCASA-N 1 2 407.426 2.528 40 5 HFBBLO O=C1CCCN1C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000306127714 568900501 /nfs/dbraw/zinc/90/05/01/568900501.db2.gz GFLHNVRLLUGWJJ-YWZLYKJASA-N 1 2 423.897 2.621 40 5 HFBBLO O=C1CCCN1C[C@@H]1CC[C@]2(COCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)O1 ZINC000306127714 568900503 /nfs/dbraw/zinc/90/05/03/568900503.db2.gz GFLHNVRLLUGWJJ-YWZLYKJASA-N 1 2 423.897 2.621 40 5 HFBBLO O=C(C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000004909049 559199397 /nfs/dbraw/zinc/19/93/97/559199397.db2.gz LVLMVHVRESQROP-UHFFFAOYSA-N 1 2 403.483 2.630 40 5 HFBBLO COc1cc(Cl)c([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1OC ZINC000408569720 559218678 /nfs/dbraw/zinc/21/86/78/559218678.db2.gz XELHHTRKORBTQX-ZXUICREJSA-N 1 2 417.849 2.925 40 5 HFBBLO O=c1c2cc3c(ccn(C4CCCCC4)c3=O)nc2ccn1CC[NH+]1CCOCC1 ZINC000038829244 558816087 /nfs/dbraw/zinc/81/60/87/558816087.db2.gz ILJQGTZUYNKHID-UHFFFAOYSA-N 1 2 408.502 2.549 40 5 HFBBLO CCOC(=O)C(C(=O)Nc1ccccc1)=C(N)[NH2+]Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000016681967 569070242 /nfs/dbraw/zinc/07/02/42/569070242.db2.gz QBEVESJEZQHQDZ-FOCLMDBBSA-N 1 2 419.825 2.537 40 5 HFBBLO COc1ccccc1[C@H]1[C@@H]2SC(=[NH2+])NC2=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000136774518 560770899 /nfs/dbraw/zinc/77/08/99/560770899.db2.gz QAFRUPKHGMKQQW-GJZGRUSLSA-N 1 2 414.403 2.817 40 5 HFBBLO Cc1c(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000022438213 568767830 /nfs/dbraw/zinc/76/78/30/568767830.db2.gz NSZXOOZIFYNOIA-UHFFFAOYSA-N 1 2 414.487 2.862 40 5 HFBBLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015674986 291230117 /nfs/dbraw/zinc/23/01/17/291230117.db2.gz XUADLQSFRMHWGF-CVEARBPZSA-N 1 2 410.386 2.681 40 5 biogenic,in-vitro HFBBLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015674986 291230118 /nfs/dbraw/zinc/23/01/18/291230118.db2.gz XUADLQSFRMHWGF-CVEARBPZSA-N 1 2 410.386 2.681 40 5 biogenic,in-vitro HFBBLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000038772404 571081090 /nfs/dbraw/zinc/08/10/90/571081090.db2.gz FEVDTONNDHNWCT-WEVVVXLNSA-N 1 2 401.488 2.756 40 5 HFBBLO