smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](NC(N)=O)C(=O)N1CC[NH2+]CC1 ZINC000159409320 136214234 /nfs/dbraw/zinc/21/42/34/136214234.db2.gz WKORIIKKZLHVTN-MRVPVSSYSA-N 1 0 228.296 -0.745 10 70 BBIERO COC(=O)CCN1CCO[C@H](C[NH3+])C1 ZINC000159512434 345378134 /nfs/dbraw/zinc/37/81/34/345378134.db2.gz QZFCUXPHXWJFCX-MRVPVSSYSA-N 1 0 202.254 -0.791 10 70 BBIERO COC(=O)CCN1CCO[C@@H](C[NH3+])C1 ZINC000159512599 345379829 /nfs/dbraw/zinc/37/98/29/345379829.db2.gz QZFCUXPHXWJFCX-QMMMGPOBSA-N 1 0 202.254 -0.791 10 70 BBIERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C)C1=O ZINC000159627081 388024307 /nfs/dbraw/zinc/02/43/07/388024307.db2.gz IDAAYUPHKVCNTE-JGVFFNPUSA-N 1 0 213.281 -0.539 10 70 BBIERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C)C1=O ZINC000159627218 169390595 /nfs/dbraw/zinc/39/05/95/169390595.db2.gz IDAAYUPHKVCNTE-HTQZYQBOSA-N 1 0 213.281 -0.539 10 70 BBIERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C)C1=O ZINC000159627359 388024315 /nfs/dbraw/zinc/02/43/15/388024315.db2.gz IDAAYUPHKVCNTE-YUMQZZPRSA-N 1 0 213.281 -0.539 10 70 BBIERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C)C1=O ZINC000159627462 169392321 /nfs/dbraw/zinc/39/23/21/169392321.db2.gz IDAAYUPHKVCNTE-SFYZADRCSA-N 1 0 213.281 -0.539 10 70 BBIERO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000159709173 350980284 /nfs/dbraw/zinc/98/02/84/350980284.db2.gz IQTDIONHUXARLR-MWLCHTKSSA-N 1 0 231.292 -0.385 10 70 BBIERO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000159709295 350980677 /nfs/dbraw/zinc/98/06/77/350980677.db2.gz IQTDIONHUXARLR-KOLCDFICSA-N 1 0 231.292 -0.385 10 70 BBIERO COCC[N@H+](CCO)C[C@@H]1CNC(=O)O1 ZINC000160018334 323057716 /nfs/dbraw/zinc/05/77/16/323057716.db2.gz LSBOKIHSSSCHGO-QMMMGPOBSA-N 1 0 218.253 -0.965 10 70 BBIERO COCC[N@H+](CCO)C[C@H]1CNC(=O)O1 ZINC000160018470 323057741 /nfs/dbraw/zinc/05/77/41/323057741.db2.gz LSBOKIHSSSCHGO-MRVPVSSYSA-N 1 0 218.253 -0.965 10 70 BBIERO C[C@H](O)CC[N@H+](C)C[C@@H]1CNC(=O)O1 ZINC000160019571 323057642 /nfs/dbraw/zinc/05/76/42/323057642.db2.gz GMBJFCLOWQBIEY-YUMQZZPRSA-N 1 0 202.254 -0.203 10 70 BBIERO C[C@@H](O)CC[N@H+](C)C[C@@H]1CNC(=O)O1 ZINC000160019688 323057646 /nfs/dbraw/zinc/05/76/46/323057646.db2.gz GMBJFCLOWQBIEY-SFYZADRCSA-N 1 0 202.254 -0.203 10 70 BBIERO CC[N@H+](CCCO)C[C@@H]1CNC(=O)O1 ZINC000160019953 323057683 /nfs/dbraw/zinc/05/76/83/323057683.db2.gz FCPDYCWSKXLGJV-QMMMGPOBSA-N 1 0 202.254 -0.201 10 70 BBIERO CC[N@H+](CCCO)C[C@H]1CNC(=O)O1 ZINC000160020080 323057631 /nfs/dbraw/zinc/05/76/31/323057631.db2.gz FCPDYCWSKXLGJV-MRVPVSSYSA-N 1 0 202.254 -0.201 10 70 BBIERO CC(C)NS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000160172308 167127455 /nfs/dbraw/zinc/12/74/55/167127455.db2.gz NYCQXFSBWGUKHS-RKDXNWHRSA-N 1 0 235.353 -0.054 10 70 BBIERO CC(C)NS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000160172450 167127619 /nfs/dbraw/zinc/12/76/19/167127619.db2.gz NYCQXFSBWGUKHS-BDAKNGLRSA-N 1 0 235.353 -0.054 10 70 BBIERO CC(C)NS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000160172624 167127904 /nfs/dbraw/zinc/12/79/04/167127904.db2.gz NYCQXFSBWGUKHS-DTWKUNHWSA-N 1 0 235.353 -0.054 10 70 BBIERO CC(C)NS(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000160172734 167127038 /nfs/dbraw/zinc/12/70/38/167127038.db2.gz NYCQXFSBWGUKHS-IUCAKERBSA-N 1 0 235.353 -0.054 10 70 BBIERO CCCNS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000160172880 169272590 /nfs/dbraw/zinc/27/25/90/169272590.db2.gz LSFOYZOAEXZCAA-RKDXNWHRSA-N 1 0 235.353 -0.052 10 70 BBIERO CCCNS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000160172996 169272507 /nfs/dbraw/zinc/27/25/07/169272507.db2.gz LSFOYZOAEXZCAA-BDAKNGLRSA-N 1 0 235.353 -0.052 10 70 BBIERO CCCNS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000160173073 169272221 /nfs/dbraw/zinc/27/22/21/169272221.db2.gz LSFOYZOAEXZCAA-DTWKUNHWSA-N 1 0 235.353 -0.052 10 70 BBIERO CCCNS(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000160173193 169272628 /nfs/dbraw/zinc/27/26/28/169272628.db2.gz LSFOYZOAEXZCAA-IUCAKERBSA-N 1 0 235.353 -0.052 10 70 BBIERO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=S)C1 ZINC000160259643 355762645 /nfs/dbraw/zinc/76/26/45/355762645.db2.gz ABTUPRHYEBMFII-XPUUQOCRSA-N 1 0 215.322 -0.129 10 70 BBIERO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=S)C1 ZINC000160259778 355762439 /nfs/dbraw/zinc/76/24/39/355762439.db2.gz ABTUPRHYEBMFII-SVRRBLITSA-N 1 0 215.322 -0.129 10 70 BBIERO CC(=O)N[C@@H]1CC[N@H+](CC(N)=S)C1 ZINC000160260216 355763799 /nfs/dbraw/zinc/76/37/99/355763799.db2.gz IZTVOGIFUUOTRS-SSDOTTSWSA-N 1 0 201.295 -0.517 10 70 BBIERO CC(=O)N[C@H]1CC[N@H+](CC(N)=S)C1 ZINC000160260356 355763125 /nfs/dbraw/zinc/76/31/25/355763125.db2.gz IZTVOGIFUUOTRS-ZETCQYMHSA-N 1 0 201.295 -0.517 10 70 BBIERO CNC(=[NH2+])N1CC[C@H](NC(=O)OC)C1 ZINC000160274593 355805291 /nfs/dbraw/zinc/80/52/91/355805291.db2.gz RCPIHPIMICIOML-LURJTMIESA-N 1 0 200.242 -0.429 10 70 BBIERO CNC(=[NH2+])N1CC[C@@H](NC(=O)OC)C1 ZINC000160274732 355805138 /nfs/dbraw/zinc/80/51/38/355805138.db2.gz RCPIHPIMICIOML-ZCFIWIBFSA-N 1 0 200.242 -0.429 10 70 BBIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(N)(=O)=O ZINC000160296725 397754459 /nfs/dbraw/zinc/75/44/59/397754459.db2.gz VDZOEBHMAJLWAZ-SECBINFHSA-N 1 0 235.353 -0.100 10 70 BBIERO CN1CC[C@H](C(=O)N2CCC[C@@H]2C[NH3+])CC1=O ZINC000160316414 173141802 /nfs/dbraw/zinc/14/18/02/173141802.db2.gz LDJHAAHLNXGPJW-VHSXEESVSA-N 1 0 239.319 -0.196 10 70 BBIERO CN1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])CC1=O ZINC000160316541 173110029 /nfs/dbraw/zinc/11/00/29/173110029.db2.gz LDJHAAHLNXGPJW-NXEZZACHSA-N 1 0 239.319 -0.196 10 70 BBIERO CN1CC[C@H](C(=O)N2CCC[C@H]2C[NH3+])CC1=O ZINC000160316665 173140813 /nfs/dbraw/zinc/14/08/13/173140813.db2.gz LDJHAAHLNXGPJW-UWVGGRQHSA-N 1 0 239.319 -0.196 10 70 BBIERO CN1CC[C@@H](C(=O)N2CCC[C@H]2C[NH3+])CC1=O ZINC000160316806 173109395 /nfs/dbraw/zinc/10/93/95/173109395.db2.gz LDJHAAHLNXGPJW-ZJUUUORDSA-N 1 0 239.319 -0.196 10 70 BBIERO COCCOCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160335161 174345418 /nfs/dbraw/zinc/34/54/18/174345418.db2.gz MCYHPJVUTXLKRU-SECBINFHSA-N 1 0 216.281 -0.401 10 70 BBIERO COCCOCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160335269 174345458 /nfs/dbraw/zinc/34/54/58/174345458.db2.gz MCYHPJVUTXLKRU-VIFPVBQESA-N 1 0 216.281 -0.401 10 70 BBIERO COCCOCCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160354332 174348032 /nfs/dbraw/zinc/34/80/32/174348032.db2.gz OREZMJMSNJZJHK-SNVBAGLBSA-N 1 0 230.308 -0.011 10 70 BBIERO COCCOCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160354450 174348257 /nfs/dbraw/zinc/34/82/57/174348257.db2.gz OREZMJMSNJZJHK-JTQLQIEISA-N 1 0 230.308 -0.011 10 70 BBIERO [NH3+]C[C@H]1CCCN1C(=O)CN1CSCC1=O ZINC000160371205 181459138 /nfs/dbraw/zinc/45/91/38/181459138.db2.gz HNETVULAKRRSFP-MRVPVSSYSA-N 1 0 243.332 -0.531 10 70 BBIERO [NH3+]C[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC000160371314 181429772 /nfs/dbraw/zinc/42/97/72/181429772.db2.gz HNETVULAKRRSFP-QMMMGPOBSA-N 1 0 243.332 -0.531 10 70 BBIERO CCN1C[C@H](C(=O)N2CCC[C@@H]2C[NH3+])CC1=O ZINC000160376114 170032741 /nfs/dbraw/zinc/03/27/41/170032741.db2.gz RRZRQFCLXPQFEJ-NXEZZACHSA-N 1 0 239.319 -0.196 10 70 BBIERO CCN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])CC1=O ZINC000160376261 170027134 /nfs/dbraw/zinc/02/71/34/170027134.db2.gz RRZRQFCLXPQFEJ-VHSXEESVSA-N 1 0 239.319 -0.196 10 70 BBIERO CCN1C[C@H](C(=O)N2CCC[C@H]2C[NH3+])CC1=O ZINC000160376375 170032580 /nfs/dbraw/zinc/03/25/80/170032580.db2.gz RRZRQFCLXPQFEJ-ZJUUUORDSA-N 1 0 239.319 -0.196 10 70 BBIERO CCN1C[C@@H](C(=O)N2CCC[C@H]2C[NH3+])CC1=O ZINC000160376497 170027258 /nfs/dbraw/zinc/02/72/58/170027258.db2.gz RRZRQFCLXPQFEJ-UWVGGRQHSA-N 1 0 239.319 -0.196 10 70 BBIERO CC(C)NS(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000160499333 167126920 /nfs/dbraw/zinc/12/69/20/167126920.db2.gz QCDOVVDCEIKPPV-DTWKUNHWSA-N 1 0 235.353 -0.041 10 70 BBIERO CC(C)NS(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000160499452 167127449 /nfs/dbraw/zinc/12/74/49/167127449.db2.gz QCDOVVDCEIKPPV-BDAKNGLRSA-N 1 0 235.353 -0.041 10 70 BBIERO CC(C)NS(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000160499582 167128594 /nfs/dbraw/zinc/12/85/94/167128594.db2.gz QCDOVVDCEIKPPV-IUCAKERBSA-N 1 0 235.353 -0.041 10 70 BBIERO CCCNS(=O)(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000160500373 169272517 /nfs/dbraw/zinc/27/25/17/169272517.db2.gz AQILWWMHAWZLNY-BDAKNGLRSA-N 1 0 235.353 -0.039 10 70 BBIERO CCCNS(=O)(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000160500496 169272275 /nfs/dbraw/zinc/27/22/75/169272275.db2.gz AQILWWMHAWZLNY-DTWKUNHWSA-N 1 0 235.353 -0.039 10 70 BBIERO CCCNS(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000160500620 169272126 /nfs/dbraw/zinc/27/21/26/169272126.db2.gz AQILWWMHAWZLNY-IUCAKERBSA-N 1 0 235.353 -0.039 10 70 BBIERO CC(=O)NCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000160530435 188178085 /nfs/dbraw/zinc/17/80/85/188178085.db2.gz SBCRPFLSYALMQM-IONNQARKSA-N 1 0 213.281 -0.621 10 70 BBIERO CC(=O)NCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000160530584 188007393 /nfs/dbraw/zinc/00/73/93/188007393.db2.gz SBCRPFLSYALMQM-APPZFPTMSA-N 1 0 213.281 -0.621 10 70 BBIERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000160821145 386196124 /nfs/dbraw/zinc/19/61/24/386196124.db2.gz CGXRXIWQPGRABP-SCZZXKLOSA-N 1 0 239.319 -0.007 10 70 BBIERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000160821278 169390309 /nfs/dbraw/zinc/39/03/09/169390309.db2.gz CGXRXIWQPGRABP-PSASIEDQSA-N 1 0 239.319 -0.007 10 70 BBIERO CCC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000160821419 386229068 /nfs/dbraw/zinc/22/90/68/386229068.db2.gz CGXRXIWQPGRABP-WPRPVWTQSA-N 1 0 239.319 -0.007 10 70 BBIERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000160821538 169392204 /nfs/dbraw/zinc/39/22/04/169392204.db2.gz CGXRXIWQPGRABP-WCBMZHEXSA-N 1 0 239.319 -0.007 10 70 BBIERO CC(C)NS(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000160849886 167127790 /nfs/dbraw/zinc/12/77/90/167127790.db2.gz VVYQZGXQHKKGKZ-SSDOTTSWSA-N 1 0 209.315 -0.444 10 70 BBIERO CCCNS(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000160870110 169272213 /nfs/dbraw/zinc/27/22/13/169272213.db2.gz CSCVNFIJLVMURV-SECBINFHSA-N 1 0 235.353 -0.038 10 70 BBIERO CCCNS(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000160870235 169272429 /nfs/dbraw/zinc/27/24/29/169272429.db2.gz CSCVNFIJLVMURV-VIFPVBQESA-N 1 0 235.353 -0.038 10 70 BBIERO CC[C@](C)(O)C[N@@H+]1CCNC(=O)CC1 ZINC000160901264 349336826 /nfs/dbraw/zinc/33/68/26/349336826.db2.gz QCCJOWXNTQEWDJ-JTQLQIEISA-N 1 0 200.282 -0.031 10 70 BBIERO CC[C@@](C)(O)C[N@@H+]1CCNC(=O)CC1 ZINC000160901397 349336995 /nfs/dbraw/zinc/33/69/95/349336995.db2.gz QCCJOWXNTQEWDJ-SNVBAGLBSA-N 1 0 200.282 -0.031 10 70 BBIERO CCCNS(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000160928951 169271680 /nfs/dbraw/zinc/27/16/80/169271680.db2.gz DFUANAJKWSVIOQ-MRVPVSSYSA-N 1 0 221.326 -0.570 10 70 BBIERO CCCNS(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000160929093 169271667 /nfs/dbraw/zinc/27/16/67/169271667.db2.gz DFUANAJKWSVIOQ-QMMMGPOBSA-N 1 0 221.326 -0.570 10 70 BBIERO CCNS(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000160930532 170135750 /nfs/dbraw/zinc/13/57/50/170135750.db2.gz RYWSEUQPNNRHCN-SSDOTTSWSA-N 1 0 207.299 -0.960 10 70 BBIERO CCNS(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000160930646 170135159 /nfs/dbraw/zinc/13/51/59/170135159.db2.gz RYWSEUQPNNRHCN-ZETCQYMHSA-N 1 0 207.299 -0.960 10 70 BBIERO CC(C)NS(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000160973586 167127563 /nfs/dbraw/zinc/12/75/63/167127563.db2.gz VNMWBVYXZUFFRV-SECBINFHSA-N 1 0 235.353 -0.039 10 70 BBIERO CCNS(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000160974120 170135436 /nfs/dbraw/zinc/13/54/36/170135436.db2.gz KRHMBAKTWCIKAT-MRVPVSSYSA-N 1 0 221.326 -0.428 10 70 BBIERO C[C@]1(O)CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000160985544 323142286 /nfs/dbraw/zinc/14/22/86/323142286.db2.gz SMLPUBKIGLRSIQ-WPRPVWTQSA-N 1 0 214.265 -0.058 10 70 BBIERO C[C@@]1(O)CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000160985681 323142278 /nfs/dbraw/zinc/14/22/78/323142278.db2.gz SMLPUBKIGLRSIQ-WCBMZHEXSA-N 1 0 214.265 -0.058 10 70 BBIERO COC(CN1CCO[C@H](C[NH+](C)C)C1)OC ZINC000160985717 349351281 /nfs/dbraw/zinc/35/12/81/349351281.db2.gz PWXJLJMLFSNGTD-SNVBAGLBSA-N 1 0 232.324 -0.132 10 70 BBIERO COC(CN1CCO[C@@H](C[NH+](C)C)C1)OC ZINC000160985857 384453245 /nfs/dbraw/zinc/45/32/45/384453245.db2.gz PWXJLJMLFSNGTD-JTQLQIEISA-N 1 0 232.324 -0.132 10 70 BBIERO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)C2)C1 ZINC000161044169 384397082 /nfs/dbraw/zinc/39/70/82/384397082.db2.gz BKCNSPSJSVJSOH-IWSPIJDZSA-N 1 0 225.292 -0.491 10 70 BBIERO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CNC(=O)C2)C1 ZINC000161044389 181583427 /nfs/dbraw/zinc/58/34/27/181583427.db2.gz BKCNSPSJSVJSOH-HLTSFMKQSA-N 1 0 225.292 -0.491 10 70 BBIERO CC[C@](C)(O)CN1CCN(C)C(=O)C1 ZINC000161216123 387147574 /nfs/dbraw/zinc/14/75/74/387147574.db2.gz WZDZKUJPQGMVDW-JTQLQIEISA-N 1 0 200.282 -0.079 10 70 BBIERO CC[C@@](C)(O)CN1CCN(C)C(=O)C1 ZINC000161216225 387147598 /nfs/dbraw/zinc/14/75/98/387147598.db2.gz WZDZKUJPQGMVDW-SNVBAGLBSA-N 1 0 200.282 -0.079 10 70 BBIERO CCC[C@@H](C(=O)NCCNC(C)=O)[NH+](C)C ZINC000161228941 323470270 /nfs/dbraw/zinc/47/02/70/323470270.db2.gz XZFNRSNXNGUDMU-JTQLQIEISA-N 1 0 229.324 -0.031 10 70 BBIERO CCC[C@H](C(=O)NCCNC(C)=O)[NH+](C)C ZINC000161229051 387158030 /nfs/dbraw/zinc/15/80/30/387158030.db2.gz XZFNRSNXNGUDMU-SNVBAGLBSA-N 1 0 229.324 -0.031 10 70 BBIERO CCC[C@@H](C(=O)NCC(=O)NCC)[NH+](C)C ZINC000161292183 323493010 /nfs/dbraw/zinc/49/30/10/323493010.db2.gz KPBXKAWGESXPDQ-VIFPVBQESA-N 1 0 229.324 -0.031 10 70 BBIERO CCC[C@H](C(=O)NCC(=O)NCC)[NH+](C)C ZINC000161292316 387184141 /nfs/dbraw/zinc/18/41/41/387184141.db2.gz KPBXKAWGESXPDQ-SECBINFHSA-N 1 0 229.324 -0.031 10 70 BBIERO C[C@@H](CNC(=S)NN)[NH+]1CCCC1 ZINC000161379182 368140667 /nfs/dbraw/zinc/14/06/67/368140667.db2.gz BQSBAZJCHMYBFP-ZETCQYMHSA-N 1 0 202.327 -0.192 10 70 BBIERO C[C@H](CNC(=S)NN)[NH+]1CCCC1 ZINC000161379313 368139034 /nfs/dbraw/zinc/13/90/34/368139034.db2.gz BQSBAZJCHMYBFP-SSDOTTSWSA-N 1 0 202.327 -0.192 10 70 BBIERO COC(OC)[SiH2]CCC[NH2+]CCN ZINC000201365153 343894237 /nfs/dbraw/zinc/89/42/37/343894237.db2.gz XFFPIAQRIDTSIZ-UHFFFAOYSA-N 1 0 206.362 -0.912 10 70 BBIERO C[N@@H+]1CCCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000217649226 523803764 /nfs/dbraw/zinc/80/37/64/523803764.db2.gz HDBHAIYZOVLUFM-UHFFFAOYSA-N 1 0 236.275 -0.452 10 70 BBIERO C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000218265249 411753712 /nfs/dbraw/zinc/75/37/12/411753712.db2.gz RHFAVSSNOMGKRP-FXBDTBDDSA-N 1 0 212.293 -0.034 10 70 BBIERO C[C@H](C1CC1)N(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000218265310 411753945 /nfs/dbraw/zinc/75/39/45/411753945.db2.gz RHFAVSSNOMGKRP-SZEHBUNVSA-N 1 0 212.293 -0.034 10 70 BBIERO