smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1OC ZINC000008918020 554813769 /nfs/dbraw/zinc/81/37/69/554813769.db2.gz AIJDFFXFTOATQM-BKFSCITFSA-O 1 0 493.624 4.427 40 5 JIBBRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328962099 570179559 /nfs/dbraw/zinc/17/95/59/570179559.db2.gz BHHZIBOCSWHGBL-UHFFFAOYSA-N 1 0 494.449 4.041 40 5 JIBBRO CC1(C)CC(NC(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)CC(C)(C)[NH2+]1 ZINC000008792241 554685514 /nfs/dbraw/zinc/68/55/14/554685514.db2.gz SXSXSPKCYTVLEZ-UHFFFAOYSA-N 1 0 482.584 4.396 40 5 biogenic JIBBRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223251227 569904940 /nfs/dbraw/zinc/90/49/40/569904940.db2.gz RYISJFALVIZEBW-YADHBBJMSA-N 1 0 451.552 4.174 40 5 JIBBRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223242548 569904704 /nfs/dbraw/zinc/90/47/04/569904704.db2.gz ONLFADGGYVPVNG-FGZHOGPDSA-N 1 0 451.552 4.174 40 5 JIBBRO CCCCC[NH+](CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004933873 520173956 /nfs/dbraw/zinc/17/39/56/520173956.db2.gz NWFFFYJXFAEUCR-UHFFFAOYSA-N 1 0 473.482 4.009 40 5 JIBBRO C[NH2+][C@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000012501465 522507071 /nfs/dbraw/zinc/50/70/71/522507071.db2.gz HKSZLNNOFSGOKW-LCWSOADTSA-N 1 0 466.541 4.354 40 5 in-vitro JIBBRO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000014277177 555785584 /nfs/dbraw/zinc/78/55/84/555785584.db2.gz UZZOISMTWWTZTQ-UHFFFAOYSA-N 1 0 489.601 4.352 40 5 JIBBRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000022711783 555946044 /nfs/dbraw/zinc/94/60/44/555946044.db2.gz NRSZQNJBMFMTPM-UHFFFAOYSA-N 1 0 475.574 4.044 40 5 JIBBRO COc1cc(Br)c(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC ZINC000001727776 194132203 /nfs/dbraw/zinc/13/22/03/194132203.db2.gz XOYULGOXBAMUHS-SFHVURJKSA-N 1 0 451.381 4.400 40 5 JIBBRO O=C(Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020154206 555673441 /nfs/dbraw/zinc/67/34/41/555673441.db2.gz JRIJSNTVGOHJEC-UHFFFAOYSA-N 1 0 461.887 4.033 40 5 JIBBRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223251334 569904919 /nfs/dbraw/zinc/90/49/19/569904919.db2.gz RYISJFALVIZEBW-FGZHOGPDSA-N 1 0 451.552 4.174 40 5 JIBBRO CC1CC[NH+](CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)CC1 ZINC000225563662 570005856 /nfs/dbraw/zinc/00/58/56/570005856.db2.gz DLICFCCGTOQCMB-UHFFFAOYSA-N 1 0 467.566 4.392 40 5 JIBBRO Cc1ccc(S(=O)(=O)Oc2ccc3sc4cccc(NCC[NH+](C)C)c4c(=O)c3c2)cc1 ZINC000005487739 525625410 /nfs/dbraw/zinc/62/54/10/525625410.db2.gz OZBUPHRPNZMLFW-UHFFFAOYSA-N 1 0 468.600 4.464 40 5 JIBBRO CC1=C[C@@H](C[NH+]2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000030883344 291521465 /nfs/dbraw/zinc/52/14/65/291521465.db2.gz JWEBPAJAEHSWRR-JTAQYXEDSA-N 1 0 454.571 4.499 40 5 biogenic,in-vitro JIBBRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223242429 569904696 /nfs/dbraw/zinc/90/46/96/569904696.db2.gz ONLFADGGYVPVNG-YADHBBJMSA-N 1 0 451.552 4.174 40 5 JIBBRO Cc1c(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cccc1[N+](=O)[O-] ZINC000022747783 555951810 /nfs/dbraw/zinc/95/18/10/555951810.db2.gz ADXUSOOTMWOLTD-UHFFFAOYSA-N 1 0 489.601 4.352 40 5 JIBBRO C[N+](C)(Cn1nc(Cl)c2ccc([N+](=O)[O-])cc21)Cn1nc(Cl)c2ccc([N+](=O)[O-])cc21 ZINC000005648957 525358207 /nfs/dbraw/zinc/35/82/07/525358207.db2.gz SLZALKAAVNMXEV-UHFFFAOYSA-N 1 0 465.277 4.201 40 5 JIBBRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223250982 569904905 /nfs/dbraw/zinc/90/49/05/569904905.db2.gz FFAFLXZVVMFWAE-YADHBBJMSA-N 1 0 451.552 4.174 40 5 JIBBRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)C1 ZINC000225563737 570005933 /nfs/dbraw/zinc/00/59/33/570005933.db2.gz FBSURKZAVVNHMP-FQEVSTJZSA-N 1 0 467.566 4.392 40 5 JIBBRO C[NH2+][C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000005615681 554492263 /nfs/dbraw/zinc/49/22/63/554492263.db2.gz HKSZLNNOFSGOKW-HMWZOHBLSA-N 1 0 466.541 4.354 40 5 in-vitro JIBBRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223251282 569904935 /nfs/dbraw/zinc/90/49/35/569904935.db2.gz RYISJFALVIZEBW-FCHUYYIVSA-N 1 0 451.552 4.174 40 5 JIBBRO COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1OC ZINC000008918021 554813762 /nfs/dbraw/zinc/81/37/62/554813762.db2.gz AIJDFFXFTOATQM-OJENCEHKSA-O 1 0 493.624 4.427 40 5 JIBBRO C[NH+](C)CCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329016395 570181770 /nfs/dbraw/zinc/18/17/70/570181770.db2.gz NFHWEQGDQPQCRE-UHFFFAOYSA-N 1 0 476.459 5.058 40 5 JIBBRO Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)o1 ZINC000020154376 555674196 /nfs/dbraw/zinc/67/41/96/555674196.db2.gz DWTSNHYTHNEPJA-WEVVVXLNSA-N 1 0 477.477 4.133 40 5 JIBBRO C[C@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 ZINC000040149312 569818829 /nfs/dbraw/zinc/81/88/29/569818829.db2.gz IYHRRCLCHQPQKB-SLFFLAALSA-N 1 0 464.632 4.001 40 5 JIBBRO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000020608880 195182247 /nfs/dbraw/zinc/18/22/47/195182247.db2.gz FCJRZSLHJKKVFS-UXBLZVDNSA-N 1 0 486.956 4.219 40 5 JIBBRO CCCCCC[NH+](CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004933878 520073966 /nfs/dbraw/zinc/07/39/66/520073966.db2.gz KGEICEFSUWYAHL-UHFFFAOYSA-N 1 0 487.509 4.399 40 5 JIBBRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000008898304 554788697 /nfs/dbraw/zinc/78/86/97/554788697.db2.gz ZYOKWWOVUDKROC-UHFFFAOYSA-N 1 0 479.562 4.124 40 5 JIBBRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223242487 569904707 /nfs/dbraw/zinc/90/47/07/569904707.db2.gz ONLFADGGYVPVNG-FCHUYYIVSA-N 1 0 451.552 4.174 40 5 JIBBRO COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)o1 ZINC000223247078 569904798 /nfs/dbraw/zinc/90/47/98/569904798.db2.gz HVQRACKTPYZDPI-DHIUTWEWSA-N 1 0 481.578 4.183 40 5 JIBBRO COc1cc(Br)c(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC ZINC000005085914 554486610 /nfs/dbraw/zinc/48/66/10/554486610.db2.gz XOYULGOXBAMUHS-GOSISDBHSA-N 1 0 451.381 4.400 40 5 JIBBRO COC(=O)c1c(C)nc(C)c(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1cccc([N+](=O)[O-])c1 ZINC000077286576 569705513 /nfs/dbraw/zinc/70/55/13/569705513.db2.gz DFWOMDUVXAUTRY-QFIPXVFZSA-N 1 0 489.528 4.492 40 5 in-vitro JIBBRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329061291 570183433 /nfs/dbraw/zinc/18/34/33/570183433.db2.gz WQNNBTNCZRBMTN-UHFFFAOYSA-N 1 0 496.877 4.165 40 5 JIBBRO CC(COC(=O)c1ccc([N+](=O)[O-])cc1)(COC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]C1CCCCC1 ZINC000005047612 194403029 /nfs/dbraw/zinc/40/30/29/194403029.db2.gz CHQVDJTYMOVHLO-UHFFFAOYSA-N 1 0 485.493 4.198 40 5 JIBBRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223251087 569904946 /nfs/dbraw/zinc/90/49/46/569904946.db2.gz FFAFLXZVVMFWAE-FGZHOGPDSA-N 1 0 451.552 4.174 40 5 JIBBRO CC(=O)N1CC[NH+](C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2C(C)C)CC1 ZINC000035442689 560079667 /nfs/dbraw/zinc/07/96/67/560079667.db2.gz DBHIDFGMENWKLA-FIXSFTCYSA-N 1 0 481.597 4.206 40 5 biogenic,in-vitro JIBBRO CC1=C[C@@H](C[NH+]2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000035442692 560079752 /nfs/dbraw/zinc/07/97/52/560079752.db2.gz HILQRGVCHRZHLZ-FUDKSRODSA-N 1 0 453.587 4.289 40 5 biogenic,in-vitro JIBBRO COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)o1 ZINC000223247239 569904801 /nfs/dbraw/zinc/90/48/01/569904801.db2.gz HVQRACKTPYZDPI-GOTSBHOMSA-N 1 0 481.578 4.183 40 5 JIBBRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000223242369 569904727 /nfs/dbraw/zinc/90/47/27/569904727.db2.gz ONLFADGGYVPVNG-VXKWHMMOSA-N 1 0 451.552 4.174 40 5 JIBBRO COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)o1 ZINC000223247187 569904825 /nfs/dbraw/zinc/90/48/25/569904825.db2.gz HVQRACKTPYZDPI-XZOQPEGZSA-N 1 0 481.578 4.183 40 5 JIBBRO C[NH2+][C@H]1CCn2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)[C@@](C)(OC)[C@H]1OC)CNC4=O ZINC000071404966 522507968 /nfs/dbraw/zinc/50/79/68/522507968.db2.gz FGLVNFDSNKCFTC-OGEURKDJSA-N 1 0 482.584 4.472 40 5 JIBBRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000014277261 555785559 /nfs/dbraw/zinc/78/55/59/555785559.db2.gz HARVGGHGKZCGPX-UHFFFAOYSA-N 1 0 479.562 4.124 40 5 JIBBRO COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)o1 ZINC000223247132 569904811 /nfs/dbraw/zinc/90/48/11/569904811.db2.gz HVQRACKTPYZDPI-PKTZIBPZSA-N 1 0 481.578 4.183 40 5 JIBBRO Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000328972620 570180151 /nfs/dbraw/zinc/18/01/51/570180151.db2.gz DVYAWSFGGWKNQM-UHFFFAOYSA-N 1 0 490.486 4.210 40 5 JIBBRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329056778 570183272 /nfs/dbraw/zinc/18/32/72/570183272.db2.gz VUVTXPMHPLLPDJ-UHFFFAOYSA-N 1 0 494.449 4.041 40 5 JIBBRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCNc3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000022108532 555875552 /nfs/dbraw/zinc/87/55/52/555875552.db2.gz UHOGIDQKRDSFHD-UHFFFAOYSA-N 1 0 487.896 4.283 40 5 JIBBRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000225563570 570005839 /nfs/dbraw/zinc/00/58/39/570005839.db2.gz LRPYYADXRHVRNA-UHFFFAOYSA-N 1 0 453.539 4.146 40 5 JIBBRO C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000003873925 194365753 /nfs/dbraw/zinc/36/57/53/194365753.db2.gz HKSZLNNOFSGOKW-DNKQQSKKSA-N 1 0 466.541 4.354 40 5 in-vitro JIBBRO O=c1nc(N2CC[NH+](CC3CCCCC3)CC2)sc2c1cc(C(F)(F)F)cc2[N+](=O)[O-] ZINC000141433347 569867481 /nfs/dbraw/zinc/86/74/81/569867481.db2.gz BJDZBXGJNBMCAV-UHFFFAOYSA-N 1 0 456.490 4.286 40 5 JIBBRO Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CC[NH2+]CC4)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 ZINC000020154375 555674101 /nfs/dbraw/zinc/67/41/01/555674101.db2.gz OEIMKZRMZSAAJE-WEVVVXLNSA-N 1 0 477.477 4.133 40 5 JIBBRO COc1c(Br)cc(Br)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000016194482 556128660 /nfs/dbraw/zinc/12/86/60/556128660.db2.gz DLWSCGXGJBAXRH-UHFFFAOYSA-N 1 0 459.138 4.330 40 5 JIBBRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223251027 569904908 /nfs/dbraw/zinc/90/49/08/569904908.db2.gz FFAFLXZVVMFWAE-FCHUYYIVSA-N 1 0 451.552 4.174 40 5 JIBBRO COC(=O)c1c(C)nc(C)c(C(=O)OCC[N@H+](C)Cc2ccccc2)c1-c1cccc([N+](=O)[O-])c1 ZINC000022055545 555866959 /nfs/dbraw/zinc/86/69/59/555866959.db2.gz GROZWIBBDLLXKU-UHFFFAOYSA-N 1 0 477.517 4.349 40 5 in-vitro JIBBRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)C1 ZINC000225563704 570005949 /nfs/dbraw/zinc/00/59/49/570005949.db2.gz FBSURKZAVVNHMP-HXUWFJFHSA-N 1 0 467.566 4.392 40 5 JIBBRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000223250932 569904922 /nfs/dbraw/zinc/90/49/22/569904922.db2.gz FFAFLXZVVMFWAE-VXKWHMMOSA-N 1 0 451.552 4.174 40 5 JIBBRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000225564102 570006004 /nfs/dbraw/zinc/00/60/04/570006004.db2.gz XITOENMZPIGRJV-UHFFFAOYSA-N 1 0 453.539 4.146 40 5 JIBBRO C[NH2+][C@H]1C[C@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000004095791 522506897 /nfs/dbraw/zinc/50/68/97/522506897.db2.gz HKSZLNNOFSGOKW-VCPDCAFQSA-N 1 0 466.541 4.354 40 5 in-vitro JIBBRO O=C(N[C@@H](OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000002129601 554059616 /nfs/dbraw/zinc/05/96/16/554059616.db2.gz CYCWZGBHULTEAA-KYJSFNMBSA-N 1 0 464.777 4.302 40 5 JIBBRO COCCN1CC[NH+](C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2C(C)C)CC1 ZINC000035442696 560079604 /nfs/dbraw/zinc/07/96/04/560079604.db2.gz MCZGJBLURXPFBX-LSQMVHIFSA-N 1 0 497.640 4.306 40 5 biogenic,in-vitro JIBBRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000223251169 569904948 /nfs/dbraw/zinc/90/49/48/569904948.db2.gz RYISJFALVIZEBW-VXKWHMMOSA-N 1 0 451.552 4.174 40 5 JIBBRO CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)NC(C)(C)C ZINC000016688913 556152499 /nfs/dbraw/zinc/15/24/99/556152499.db2.gz GIXRRQPOGQTVFI-UHFFFAOYSA-N 1 0 478.977 4.142 40 5 JIBBRO C[NH+](C)CCNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328992488 570180792 /nfs/dbraw/zinc/18/07/92/570180792.db2.gz IVSGRILIMSBVCF-UHFFFAOYSA-N 1 0 462.432 4.668 40 5 JIBBRO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000022711786 555946033 /nfs/dbraw/zinc/94/60/33/555946033.db2.gz ZKQHIPSUNFZTEA-UHFFFAOYSA-N 1 0 475.574 4.044 40 5 JIBBRO [NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000225239353 569984869 /nfs/dbraw/zinc/98/48/69/569984869.db2.gz ILBPZQFYCCZRCG-UHFFFAOYSA-N 1 0 452.465 4.022 40 5 JIBBRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000225564058 570005931 /nfs/dbraw/zinc/00/59/31/570005931.db2.gz CJTDTOJUSZGWFO-UHFFFAOYSA-N 1 0 455.555 4.392 40 5 JIBBRO