smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(CCCNC(=O)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000216912849 230396538 /nfs/dbraw/zinc/39/65/38/230396538.db2.gz OANZNQBKWIWYOU-MRXNPFEDSA-N 1 0 274.408 2.386 40 70 CEIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCCSCc2ccco2)C1 ZINC000216916523 530054332 /nfs/dbraw/zinc/05/43/32/530054332.db2.gz OOJAKLBQZDLNBU-CYBMUJFWSA-N 1 0 296.436 2.361 40 70 CEIBRO C[N@@H+]1CCC[C@H](C(=O)NCCCSCc2ccco2)C1 ZINC000216916550 530060092 /nfs/dbraw/zinc/06/00/92/530060092.db2.gz OOJAKLBQZDLNBU-ZDUSSCGKSA-N 1 0 296.436 2.361 40 70 CEIBRO CCOc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000216914121 528650923 /nfs/dbraw/zinc/65/09/23/528650923.db2.gz GPSUWGOYRQLEOR-CQSZACIVSA-N 1 0 276.380 2.043 40 70 CEIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCCc2ccc(F)cc2)C1 ZINC000216912163 530054399 /nfs/dbraw/zinc/05/43/99/530054399.db2.gz KBVAJQLACPGBIV-CQSZACIVSA-N 1 0 278.371 2.216 40 70 CEIBRO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000216910538 262341887 /nfs/dbraw/zinc/34/18/87/262341887.db2.gz VBIPMXKLOBSNLC-HOCLYGCPSA-N 1 0 274.408 2.466 40 70 CEIBRO Cc1ccccc1CSCC(=O)NC1CC[NH+](C)CC1 ZINC000216928328 370192101 /nfs/dbraw/zinc/19/21/01/370192101.db2.gz OPEHQVBBPKMGPO-UHFFFAOYSA-N 1 0 292.448 2.439 40 70 CEIBRO COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000216907132 394452886 /nfs/dbraw/zinc/45/28/86/394452886.db2.gz SMUTXHNIMGKHNL-CYBMUJFWSA-N 1 0 290.363 2.062 40 70 CEIBRO C[N@@H+]1CCC[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000216909916 262341924 /nfs/dbraw/zinc/34/19/24/262341924.db2.gz GSQCEVHUQBKTNS-UZZMVUAXSA-N 1 0 276.424 2.413 40 70 CEIBRO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000216916128 533860872 /nfs/dbraw/zinc/86/08/72/533860872.db2.gz HSZZLTMVWKNHSN-OAHLLOKOSA-N 1 0 260.381 2.295 40 70 CEIBRO COc1ccccc1CCCNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000216912236 534028898 /nfs/dbraw/zinc/02/88/98/534028898.db2.gz KGTACBSLFGRNSW-OAHLLOKOSA-N 1 0 290.407 2.086 40 70 CEIBRO CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000216914268 528159632 /nfs/dbraw/zinc/15/96/32/528159632.db2.gz RUZSDBPIQNMNOR-OAHLLOKOSA-N 1 0 290.407 2.432 40 70 CEIBRO C[N@@H+]1CCc2nc(-c3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000216845452 262341360 /nfs/dbraw/zinc/34/13/60/262341360.db2.gz FRGZGBPBOWGWNT-UHFFFAOYSA-N 1 0 275.739 2.078 40 70 CEIBRO CCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000216913229 528452162 /nfs/dbraw/zinc/45/21/62/528452162.db2.gz OIQIAEXRECGTHN-CQSZACIVSA-N 1 0 276.380 2.043 40 70 CEIBRO CCOc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1C ZINC000216842833 262341343 /nfs/dbraw/zinc/34/13/43/262341343.db2.gz SWMLTMPJTDNCOZ-UHFFFAOYSA-N 1 0 276.380 2.218 40 70 CEIBRO Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000216917496 394453117 /nfs/dbraw/zinc/45/31/17/394453117.db2.gz AORCLLPVKYNSPA-HUUCEWRRSA-N 1 0 290.407 2.220 40 70 CEIBRO COc1ccc([C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000216922832 370191608 /nfs/dbraw/zinc/19/16/08/370191608.db2.gz HTWLTVUFOMWWKE-LBPRGKRZSA-N 1 0 276.380 2.214 40 70 CEIBRO C[NH+]1CCC(CC(=O)NCCSC(C)(C)C)CC1 ZINC000216893912 394452692 /nfs/dbraw/zinc/45/26/92/394452692.db2.gz GBMCQKMLYKVMEN-UHFFFAOYSA-N 1 0 272.458 2.366 40 70 CEIBRO Cc1ccc(CCCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000216922009 370192412 /nfs/dbraw/zinc/19/24/12/370192412.db2.gz HDTAHJFKDVFQDB-UHFFFAOYSA-N 1 0 274.408 2.386 40 70 CEIBRO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000216922810 370191805 /nfs/dbraw/zinc/19/18/05/370191805.db2.gz HTWLTVUFOMWWKE-GFCCVEGCSA-N 1 0 276.380 2.214 40 70 CEIBRO C[NH+]1CCC(CC(=O)NCCCOC2CCCC2)CC1 ZINC000216903651 394452767 /nfs/dbraw/zinc/45/27/67/394452767.db2.gz LRZOBKMOJZHOIY-UHFFFAOYSA-N 1 0 282.428 2.184 40 70 CEIBRO Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000216916158 394453108 /nfs/dbraw/zinc/45/31/08/394453108.db2.gz HSZZLTMVWKNHSN-HNNXBMFYSA-N 1 0 260.381 2.295 40 70 CEIBRO CC(C)Oc1ccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000216914293 528159956 /nfs/dbraw/zinc/15/99/56/528159956.db2.gz RUZSDBPIQNMNOR-HNNXBMFYSA-N 1 0 290.407 2.432 40 70 CEIBRO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000216910570 262341647 /nfs/dbraw/zinc/34/16/47/262341647.db2.gz VBIPMXKLOBSNLC-ZBFHGGJFSA-N 1 0 274.408 2.466 40 70 CEIBRO Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000216917517 394453229 /nfs/dbraw/zinc/45/32/29/394453229.db2.gz AORCLLPVKYNSPA-LSDHHAIUSA-N 1 0 290.407 2.220 40 70 CEIBRO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000216910505 262341934 /nfs/dbraw/zinc/34/19/34/262341934.db2.gz VBIPMXKLOBSNLC-GDBMZVCRSA-N 1 0 274.408 2.466 40 70 CEIBRO O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+]Cc4ccccn4)(C3)C1)C2 ZINC000217941904 370202608 /nfs/dbraw/zinc/20/26/08/370202608.db2.gz FTCUIWWMJSNFKT-UPUJQMMVSA-N 1 0 258.365 2.255 40 70 CEIBRO COc1ccc(CN(C)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC000216897863 394453081 /nfs/dbraw/zinc/45/30/81/394453081.db2.gz NSIRDTKRTLSXEL-UHFFFAOYSA-N 1 0 290.407 2.386 40 70 CEIBRO Cc1cccc(Nc2cc(N3CC[NH2+]CC3)nc(C)n2)c1 ZINC000217678569 394455194 /nfs/dbraw/zinc/45/51/94/394455194.db2.gz SAUYSYFYVTXVSK-UHFFFAOYSA-N 1 0 283.379 2.247 40 70 CEIBRO C[N@@H+]1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000216909948 262341822 /nfs/dbraw/zinc/34/18/22/262341822.db2.gz GSQCEVHUQBKTNS-RDVIWEACSA-N 1 0 276.424 2.413 40 70 CEIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCCc2ccccc2)C1 ZINC000216912707 530054419 /nfs/dbraw/zinc/05/44/19/530054419.db2.gz HUXRUWVSXUGOGC-OAHLLOKOSA-N 1 0 260.381 2.077 40 70 CEIBRO NC(=[NH2+])C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000217356915 370195046 /nfs/dbraw/zinc/19/50/46/370195046.db2.gz UBVUFUYAELYADI-UHFFFAOYSA-N 1 0 265.744 2.128 40 70 CEIBRO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000216914480 533105273 /nfs/dbraw/zinc/10/52/73/533105273.db2.gz QHFZUPMUQGPBSS-OCCSQVGLSA-N 1 0 276.380 2.214 40 70 CEIBRO COc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000216912311 533473397 /nfs/dbraw/zinc/47/33/97/533473397.db2.gz QDJXFUNBJKBHAU-OAHLLOKOSA-N 1 0 290.407 2.086 40 70 CEIBRO C[NH+]1CCC(CC(=O)N2CCCC(C)(C)C2)CC1 ZINC000216900873 394453159 /nfs/dbraw/zinc/45/31/59/394453159.db2.gz IFEYROJARNHATP-UHFFFAOYSA-N 1 0 252.402 2.367 40 70 CEIBRO Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000216917540 394453067 /nfs/dbraw/zinc/45/30/67/394453067.db2.gz AORCLLPVKYNSPA-CABCVRRESA-N 1 0 290.407 2.220 40 70 CEIBRO C[N@@H+]1CCC[C@H](C(=O)NCCCc2ccc(F)cc2)C1 ZINC000216912193 530060278 /nfs/dbraw/zinc/06/02/78/530060278.db2.gz KBVAJQLACPGBIV-AWEZNQCLSA-N 1 0 278.371 2.216 40 70 CEIBRO C[C@@H](Oc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217031717 370192189 /nfs/dbraw/zinc/19/21/89/370192189.db2.gz FFCLEJIEOKBPTF-CQSZACIVSA-N 1 0 290.407 2.302 40 70 CEIBRO COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000216907161 394452751 /nfs/dbraw/zinc/45/27/51/394452751.db2.gz SMUTXHNIMGKHNL-ZDUSSCGKSA-N 1 0 290.363 2.062 40 70 CEIBRO C[N@@H+]1CCC[C@H](C(=O)NCCCOC2CCCCC2)C1 ZINC000216917122 530060121 /nfs/dbraw/zinc/06/01/21/530060121.db2.gz LAUJSRIOMYJZIN-AWEZNQCLSA-N 1 0 282.428 2.184 40 70 CEIBRO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000216914507 533164095 /nfs/dbraw/zinc/16/40/95/533164095.db2.gz QHFZUPMUQGPBSS-JSGCOSHPSA-N 1 0 276.380 2.214 40 70 CEIBRO CCOc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000216900980 394452838 /nfs/dbraw/zinc/45/28/38/394452838.db2.gz JTCYQOMBMFVEIZ-UHFFFAOYSA-N 1 0 290.407 2.433 40 70 CEIBRO Cc1ccc(Nc2cc(NCC[NH3+])nc(C)n2)cc1 ZINC000217678138 394455261 /nfs/dbraw/zinc/45/52/61/394455261.db2.gz HDBUPUQIKKJFLJ-UHFFFAOYSA-N 1 0 257.341 2.208 40 70 CEIBRO CCOc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000216899991 189706728 /nfs/dbraw/zinc/70/67/28/189706728.db2.gz FZPFWEFCJRNUFI-UHFFFAOYSA-N 1 0 290.407 2.433 40 70 CEIBRO CCOc1cccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000216914148 528650508 /nfs/dbraw/zinc/65/05/08/528650508.db2.gz GPSUWGOYRQLEOR-AWEZNQCLSA-N 1 0 276.380 2.043 40 70 CEIBRO C[N@@H+]1CCC[C@@H](C(=O)NCCCOC2CCCCC2)C1 ZINC000216917095 530054320 /nfs/dbraw/zinc/05/43/20/530054320.db2.gz LAUJSRIOMYJZIN-CQSZACIVSA-N 1 0 282.428 2.184 40 70 CEIBRO C[C@H](Oc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000217031755 370191850 /nfs/dbraw/zinc/19/18/50/370191850.db2.gz FFCLEJIEOKBPTF-AWEZNQCLSA-N 1 0 290.407 2.302 40 70 CEIBRO Cc1nc(Nc2ccc(F)cc2)cc(N2CC[NH2+]CC2)n1 ZINC000217678452 394455412 /nfs/dbraw/zinc/45/54/12/394455412.db2.gz ZRHAOZNOEGDVIJ-UHFFFAOYSA-N 1 0 287.342 2.077 40 70 CEIBRO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000216910476 262341657 /nfs/dbraw/zinc/34/16/57/262341657.db2.gz VBIPMXKLOBSNLC-GOEBONIOSA-N 1 0 274.408 2.466 40 70 CEIBRO Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000216917562 230396511 /nfs/dbraw/zinc/39/65/11/230396511.db2.gz AORCLLPVKYNSPA-GJZGRUSLSA-N 1 0 290.407 2.220 40 70 CEIBRO NC(=[NH2+])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000217358865 370195797 /nfs/dbraw/zinc/19/57/97/370195797.db2.gz LQEUPXLAHCVXBG-JTQLQIEISA-N 1 0 265.744 2.128 40 70 CEIBRO C[NH+]1CCC(CC(=O)NCCSCc2ccco2)CC1 ZINC000216893861 394453163 /nfs/dbraw/zinc/45/31/63/394453163.db2.gz WZWXNTBLGQRTOT-UHFFFAOYSA-N 1 0 296.436 2.361 40 70 CEIBRO C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000216893095 394453123 /nfs/dbraw/zinc/45/31/23/394453123.db2.gz OVNXSGXEOYPUDK-BFHYXJOUSA-N 1 0 250.386 2.023 40 70 CEIBRO C[NH+](C)CCNC(=O)[C@@]12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000217457914 289163530 /nfs/dbraw/zinc/16/35/30/289163530.db2.gz PABAGPRZQGATPH-BLCNCEAHSA-N 1 0 264.413 2.271 40 70 CEIBRO NC(=[NH2+])[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000217358967 189708977 /nfs/dbraw/zinc/70/89/77/189708977.db2.gz CWNFIDPXPAZWFX-SECBINFHSA-N 1 0 265.744 2.128 40 70 CEIBRO COc1ccccc1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC000216902878 394452973 /nfs/dbraw/zinc/45/29/73/394452973.db2.gz CNJBJDWBEUAHSN-UHFFFAOYSA-N 1 0 290.407 2.386 40 70 CEIBRO CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000216913251 528453225 /nfs/dbraw/zinc/45/32/25/528453225.db2.gz OIQIAEXRECGTHN-AWEZNQCLSA-N 1 0 276.380 2.043 40 70 CEIBRO Cc1ccc(CC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000217020539 370191777 /nfs/dbraw/zinc/19/17/77/370191777.db2.gz KPMAWGYNQYWUKH-UHFFFAOYSA-N 1 0 274.408 2.386 40 70 CEIBRO COc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000216912340 533473282 /nfs/dbraw/zinc/47/32/82/533473282.db2.gz QDJXFUNBJKBHAU-HNNXBMFYSA-N 1 0 290.407 2.086 40 70 CEIBRO Cc1cccc(CCCNC(=O)C2CC[NH+](C)CC2)c1 ZINC000216922046 370192138 /nfs/dbraw/zinc/19/21/38/370192138.db2.gz FAVBHNQTKZBNIE-UHFFFAOYSA-N 1 0 274.408 2.386 40 70 CEIBRO CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000216914191 528728961 /nfs/dbraw/zinc/72/89/61/528728961.db2.gz FBMZOCULLIHVLO-CQSZACIVSA-N 1 0 276.380 2.043 40 70 CEIBRO NC(=[NH2+])C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000217356818 370195273 /nfs/dbraw/zinc/19/52/73/370195273.db2.gz NTDWRCMEYGFTIO-UHFFFAOYSA-N 1 0 265.744 2.128 40 70 CEIBRO Cc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000216912777 230396487 /nfs/dbraw/zinc/39/64/87/230396487.db2.gz RXRHPJKAIGHRNO-MRXNPFEDSA-N 1 0 274.408 2.386 40 70 CEIBRO COc1ccccc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000216931110 370191988 /nfs/dbraw/zinc/19/19/88/370191988.db2.gz WOMJFZLRMFPHDF-UHFFFAOYSA-N 1 0 276.380 2.157 40 70 CEIBRO C[N@@H+]1CCC[C@H](C(=O)NCCCc2ccccc2)C1 ZINC000216912736 530060210 /nfs/dbraw/zinc/06/02/10/530060210.db2.gz HUXRUWVSXUGOGC-HNNXBMFYSA-N 1 0 260.381 2.077 40 70 CEIBRO Cc1ccc(CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC000216923360 370191678 /nfs/dbraw/zinc/19/16/78/370191678.db2.gz DYHIXLLTBJDJDF-UHFFFAOYSA-N 1 0 260.381 2.295 40 70 CEIBRO COc1ccccc1CCCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000216912265 534029705 /nfs/dbraw/zinc/02/97/05/534029705.db2.gz KGTACBSLFGRNSW-HNNXBMFYSA-N 1 0 290.407 2.086 40 70 CEIBRO C[NH+]1CCC(NC(=O)CSCc2ccc(F)cc2)CC1 ZINC000217019169 370191656 /nfs/dbraw/zinc/19/16/56/370191656.db2.gz VGBNLJXRHPMYRC-UHFFFAOYSA-N 1 0 296.411 2.269 40 70 CEIBRO NC(=[NH2+])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000217358791 370195472 /nfs/dbraw/zinc/19/54/72/370195472.db2.gz LQEUPXLAHCVXBG-SNVBAGLBSA-N 1 0 265.744 2.128 40 70 CEIBRO CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000216914219 528729517 /nfs/dbraw/zinc/72/95/17/528729517.db2.gz FBMZOCULLIHVLO-AWEZNQCLSA-N 1 0 276.380 2.043 40 70 CEIBRO C[NH+]1CCC(C(=O)NCCCSCc2ccco2)CC1 ZINC000216923585 370192059 /nfs/dbraw/zinc/19/20/59/370192059.db2.gz AERRLLHWASWYBJ-UHFFFAOYSA-N 1 0 296.436 2.361 40 70 CEIBRO O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+]Cc4ccncc4)(C3)C1)C2 ZINC000217931781 370202591 /nfs/dbraw/zinc/20/25/91/370202591.db2.gz DTGZCMNETDUCMR-SYMSYNOKSA-N 1 0 258.365 2.255 40 70 CEIBRO Cc1cccc(CCCNC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000216912872 230396643 /nfs/dbraw/zinc/39/66/43/230396643.db2.gz OANZNQBKWIWYOU-INIZCTEOSA-N 1 0 274.408 2.386 40 70 CEIBRO NC(=[NH2+])[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000217359047 189709318 /nfs/dbraw/zinc/70/93/18/189709318.db2.gz CWNFIDPXPAZWFX-VIFPVBQESA-N 1 0 265.744 2.128 40 70 CEIBRO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000216914455 533163614 /nfs/dbraw/zinc/16/36/14/533163614.db2.gz QHFZUPMUQGPBSS-GXTWGEPZSA-N 1 0 276.380 2.214 40 70 CEIBRO C[NH+]1CCC(C(=O)NCCCc2ccc(F)cc2)CC1 ZINC000216921761 394452960 /nfs/dbraw/zinc/45/29/60/394452960.db2.gz VJNHQKAZJMTHDI-UHFFFAOYSA-N 1 0 278.371 2.216 40 70 CEIBRO Cc1ccc(CCCNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000216912805 230396692 /nfs/dbraw/zinc/39/66/92/230396692.db2.gz RXRHPJKAIGHRNO-INIZCTEOSA-N 1 0 274.408 2.386 40 70 CEIBRO O[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH2+]Cc4cccnc4)(C3)C1)C2 ZINC000217939029 189712974 /nfs/dbraw/zinc/71/29/74/189712974.db2.gz UPJXLSRGMSKYIV-SYMSYNOKSA-N 1 0 258.365 2.255 40 70 CEIBRO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000216914428 230396540 /nfs/dbraw/zinc/39/65/40/230396540.db2.gz QHFZUPMUQGPBSS-TZMCWYRMSA-N 1 0 276.380 2.214 40 70 CEIBRO