smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnnc1SCc1cc(=O)[nH]c(N2CCN(C)CC2)n1 ZINC000020414471 237009053 /nfs/dbraw/zinc/00/90/53/237009053.db2.gz NPAHEOMECMBHJY-UHFFFAOYSA-N -1 1 321.410 -0.058 40 0 DBABMM Cc1cc(=O)[n-]c([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000257210467 377236326 /nfs/dbraw/zinc/23/63/26/377236326.db2.gz BUSOZSHCACLDRA-VIFPVBQESA-N -1 1 302.356 -0.330 40 0 DBABMM C[C@@H](NCc1cnc(N2CCOCC2)nc1)[P@](=O)([O-])O ZINC000218772623 382645272 /nfs/dbraw/zinc/64/52/72/382645272.db2.gz BDYHPJKLAGECPN-VIFPVBQESA-N -1 1 302.271 -0.074 40 0 DBABMM C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)P(=O)([O-])[O-] ZINC000218772623 382645273 /nfs/dbraw/zinc/64/52/73/382645273.db2.gz BDYHPJKLAGECPN-VIFPVBQESA-N -1 1 302.271 -0.074 40 0 DBABMM CN(C)c1[n-]c(S(C)(=O)=O)nc2nc(S(C)(=O)=O)nc1-2 ZINC000017289233 182080936 /nfs/dbraw/zinc/08/09/36/182080936.db2.gz ZRTQMRMSCXDTEZ-UHFFFAOYSA-N -1 1 319.368 -0.774 40 0 DBABMM CN(C)c1nc(S(C)(=O)=O)nc2[n-]c(S(C)(=O)=O)nc21 ZINC000017289233 182080938 /nfs/dbraw/zinc/08/09/38/182080938.db2.gz ZRTQMRMSCXDTEZ-UHFFFAOYSA-N -1 1 319.368 -0.774 40 0 DBABMM CN(C)c1nc(S(C)(=O)=O)[n-]c2nc(S(C)(=O)=O)nc1-2 ZINC000017289233 182080939 /nfs/dbraw/zinc/08/09/39/182080939.db2.gz ZRTQMRMSCXDTEZ-UHFFFAOYSA-N -1 1 319.368 -0.774 40 0 DBABMM Cc1cccc(NC(=O)C([O-])=C2C(=O)NC(=O)NC2=O)c1C ZINC000001626273 374241895 /nfs/dbraw/zinc/24/18/95/374241895.db2.gz KVOQJEUWQIGHNG-UHFFFAOYSA-N -1 1 303.274 -0.207 40 0 DBABMM CS(=O)(=O)N1CCN(c2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000012113671 374340357 /nfs/dbraw/zinc/34/03/57/374340357.db2.gz CNZSTYHWCOZUAC-UHFFFAOYSA-N -1 1 312.395 -0.270 40 0 DBABMM Cn1cccc1C(=O)N1CCN2C[C@H](C(=O)[O-])C[N@@H+](C)C[C@H]2C1 ZINC000107845522 374921190 /nfs/dbraw/zinc/92/11/90/374921190.db2.gz VYEXVFQMOVOCFR-OLZOCXBDSA-N -1 1 320.393 -0.202 40 0 DBABMM CS(=O)(=O)c1c[n-]nc1C[C@@H]1CCCN(C(=O)CO)C1 ZINC000257214147 377235473 /nfs/dbraw/zinc/23/54/73/377235473.db2.gz CKTFNKHHZJXXTG-VIFPVBQESA-N -1 1 301.368 -0.413 40 0 DBABMM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(C(=O)CO)C1 ZINC000257214147 377235478 /nfs/dbraw/zinc/23/54/78/377235478.db2.gz CKTFNKHHZJXXTG-VIFPVBQESA-N -1 1 301.368 -0.413 40 0 DBABMM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN([C@H]4CN5CCC4CC5)C(=O)[C@@H]13)O2 ZINC000006759688 304211701 /nfs/dbraw/zinc/21/17/01/304211701.db2.gz RLJSXOYOJXBROB-IPNGBCKKSA-N -1 1 304.346 -0.053 40 0 DBABMM COC(=O)c1c(C(N)=O)[n-]nc1[C@@H]1OC[C@@H]2OC(C)(C)O[C@H]21 ZINC000004973051 181182180 /nfs/dbraw/zinc/18/21/80/181182180.db2.gz LPTRLXOCHNBPCH-DWFIKQFRSA-N -1 1 311.294 -0.113 40 0 DBABMM Cc1ccc(NC(=O)C([O-])=C2C(=O)NC(=O)NC2=O)c(C)c1 ZINC000001626274 374242052 /nfs/dbraw/zinc/24/20/52/374242052.db2.gz IIHBLOCSNFUZHN-UHFFFAOYSA-N -1 1 303.274 -0.207 40 0 DBABMM O=C([O-])[C@H](Cc1cnc[nH]1)N[C@H]1CNN=C1c1ccccn1 ZINC000005635620 376226804 /nfs/dbraw/zinc/22/68/04/376226804.db2.gz NWCSCKTYKIMEJD-RYUDHWBXSA-N -1 1 300.322 -0.234 40 0 DBABMM O=C([O-])[C@@H](Cc1cnc[nH]1)N[C@H]1CNN=C1c1ccccn1 ZINC000005635621 376227001 /nfs/dbraw/zinc/22/70/01/376227001.db2.gz NWCSCKTYKIMEJD-NEPJUHHUSA-N -1 1 300.322 -0.234 40 0 DBABMM CC(=O)NC[C@H]1OC[C@@H](NCc2ccc(C(=O)[O-])cc2)[C@@H]1O ZINC000077263816 379828765 /nfs/dbraw/zinc/82/87/65/379828765.db2.gz UJFQXPBEUPWMDI-MCIONIFRSA-N -1 1 308.334 -0.261 40 0 biogenic,in-vitro DBABMM N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3c[nH]nn3)CS[C@H]12 ZINC000021986016 257269168 /nfs/dbraw/zinc/26/91/68/257269168.db2.gz MLOZJRLUNNFSGD-HZGVNTEJSA-N -1 1 313.364 -0.522 40 0 in-vitro DBABMM N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3c[nH]nn3)CS[C@@H]12 ZINC000021986014 391956850 /nfs/dbraw/zinc/95/68/50/391956850.db2.gz MLOZJRLUNNFSGD-MUWHJKNJSA-N -1 1 313.364 -0.522 40 0 DBABMM COc1ccccc1C[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O ZINC000004480001 181112984 /nfs/dbraw/zinc/11/29/84/181112984.db2.gz IRVQLFQRBYZHRH-UHFFFAOYSA-N -1 1 311.319 -0.450 40 0 DBABMM Cc1nnc2n1nc(C=C([O-])c1ccc(F)cc1)c(=O)n2N ZINC000000408326 374236352 /nfs/dbraw/zinc/23/63/52/374236352.db2.gz YRQXGNJWRGFABL-UHFFFAOYSA-N -1 1 302.269 -0.127 40 0 DBABMM O=C([O-])CNc1nc(NCCN2CCOCC2)cc(C2CC2)n1 ZINC000329031781 378411649 /nfs/dbraw/zinc/41/16/49/378411649.db2.gz QLLBLALJWABWSM-UHFFFAOYSA-N -1 1 321.381 -0.562 40 0 DBABMM O=c1[n-]nc2n(c1=O)C[C@]1(CCN(Cc3ccccn3)C1)OC2 ZINC000306131731 231087026 /nfs/dbraw/zinc/08/70/26/231087026.db2.gz KNYZXMJATBFOLX-OAHLLOKOSA-N -1 1 315.333 -0.499 40 0 DBABMM CC(=O)Nc1nnc(S(=O)(=O)[N-]C2CCN(C)CC2)s1 ZINC000074861099 191374913 /nfs/dbraw/zinc/37/49/13/191374913.db2.gz WEIKQSOISNRJPU-UHFFFAOYSA-N -1 1 319.412 -0.131 40 0 DBABMM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000000223834 374235827 /nfs/dbraw/zinc/23/58/27/374235827.db2.gz NGPXLRPZGWUYQQ-UHFFFAOYSA-N -1 1 313.310 -0.011 40 0 DBABMM COc1ccc(NC(=O)C(O)=C2NC(=S)[N-]C2=O)c(OC)c1 ZINC000102941419 374894338 /nfs/dbraw/zinc/89/43/38/374894338.db2.gz ZWXGVEPRAAYEPQ-VIFPVBQESA-N -1 1 323.330 -0.416 40 0 DBABMM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN([C@@H]4CN5CCC4CC5)C(=O)[C@@H]13)O2 ZINC000006759687 304211731 /nfs/dbraw/zinc/21/17/31/304211731.db2.gz RLJSXOYOJXBROB-GUYIQFIESA-N -1 1 304.346 -0.053 40 0 DBABMM C[C@@H]1CCN(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000547870591 381499545 /nfs/dbraw/zinc/49/95/45/381499545.db2.gz YXQCBKJMRJVPJP-SCZZXKLOSA-N -1 1 302.356 -0.418 40 0 DBABMM O=C([O-])[C@H](Cc1cnc[nH]1)N[C@@H]1CNN=C1c1ccccn1 ZINC000000031996 563499257 /nfs/dbraw/zinc/49/92/57/563499257.db2.gz NWCSCKTYKIMEJD-NWDGAFQWSA-N -1 1 300.322 -0.234 40 0 DBABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000072369546 191139996 /nfs/dbraw/zinc/13/99/96/191139996.db2.gz XOGXRAAPEPLZKM-MRVPVSSYSA-N -1 1 307.397 -0.048 40 0 DBABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000072369546 191139998 /nfs/dbraw/zinc/13/99/98/191139998.db2.gz XOGXRAAPEPLZKM-MRVPVSSYSA-N -1 1 307.397 -0.048 40 0 DBABMM COC(=O)c1c(C(N)=O)[n-]nc1[C@H]1OC[C@H]2OC(C)(C)O[C@H]21 ZINC000004973048 181181947 /nfs/dbraw/zinc/18/19/47/181181947.db2.gz LPTRLXOCHNBPCH-UAINPKIQSA-N -1 1 311.294 -0.113 40 0 DBABMM Cc1ccc(NC(=O)C([O-])=C2C(=O)NC(=O)NC2=O)cc1C ZINC000001630093 374241988 /nfs/dbraw/zinc/24/19/88/374241988.db2.gz GGCGGTFQEQKTIA-UHFFFAOYSA-N -1 1 303.274 -0.207 40 0 DBABMM NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000001638011 374242129 /nfs/dbraw/zinc/24/21/29/374242129.db2.gz UPADCCSMVOQAGF-LBPRGKRZSA-N -1 1 318.333 -0.645 40 0 DBABMM CS(=O)(=O)c1cnc(N2CCC[C@H](C(=O)[O-])C2)[nH]c1=O ZINC000096516166 374641152 /nfs/dbraw/zinc/64/11/52/374641152.db2.gz HPWGLJNIZYQQCE-ZETCQYMHSA-N -1 1 301.324 -0.113 40 0 DBABMM COc1ccc(NC(=O)C(O)=C2NC(=S)[N-]C2=O)c(OC)c1 ZINC000102941416 374894361 /nfs/dbraw/zinc/89/43/61/374894361.db2.gz ZWXGVEPRAAYEPQ-SECBINFHSA-N -1 1 323.330 -0.416 40 0 DBABMM C[C@H]1CCN(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000547558561 381484991 /nfs/dbraw/zinc/48/49/91/381484991.db2.gz YXQCBKJMRJVPJP-WCBMZHEXSA-N -1 1 302.356 -0.418 40 0 DBABMM Cc1cccc(C)c1NC(=O)C([O-])=C1C(=O)NC(=O)NC1=O ZINC000001629838 392349999 /nfs/dbraw/zinc/34/99/99/392349999.db2.gz PWGKUSPCSXEVGN-UHFFFAOYSA-N -1 1 303.274 -0.207 40 0 DBABMM NC(=O)c1csc(C2OC3CO[P@](=O)([O-])OC3C2O)n1 ZINC000005519184 181253342 /nfs/dbraw/zinc/25/33/42/181253342.db2.gz QBHWWMZXXHSMPP-ZTYPAOSTSA-N -1 1 322.235 -0.441 40 0 DBABMM CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002561048 374255003 /nfs/dbraw/zinc/25/50/03/374255003.db2.gz BNMRSWQOHIQTFL-JSGCOSHPSA-N -1 1 321.377 -0.102 40 0 DBABMM N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3c[nH]nn3)CS[C@H]12 ZINC000098044926 381075352 /nfs/dbraw/zinc/07/53/52/381075352.db2.gz MLOZJRLUNNFSGD-IMTBSYHQSA-N -1 1 313.364 -0.522 40 0 DBABMM O=C([O-])CCC(=O)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257302765 304045251 /nfs/dbraw/zinc/04/52/51/304045251.db2.gz SEGMSARPCRMPQM-LALPHHSUSA-N -1 1 314.382 -0.028 40 0 DBABMM Cc1cc(=O)[n-]c([C@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000257210466 377236470 /nfs/dbraw/zinc/23/64/70/377236470.db2.gz BUSOZSHCACLDRA-SECBINFHSA-N -1 1 302.356 -0.330 40 0 DBABMM O=c1[n-]nc2n(c1=O)C[C@@]1(CCN(Cc3ccccn3)C1)OC2 ZINC000306131730 231087504 /nfs/dbraw/zinc/08/75/04/231087504.db2.gz KNYZXMJATBFOLX-HNNXBMFYSA-N -1 1 315.333 -0.499 40 0 DBABMM O=c1[n-]nc2n(c1=O)C[C@@]1(CCN(Cc3ccoc3)C1)OC2 ZINC000306136798 231090443 /nfs/dbraw/zinc/09/04/43/231090443.db2.gz QDMYLVOAIJQSEB-AWEZNQCLSA-N -1 1 304.306 -0.301 40 0 DBABMM O=c1[n-]nc2n(c1=O)C[C@@]1(CCN(Cc3nccs3)C1)OC2 ZINC000306141557 231091165 /nfs/dbraw/zinc/09/11/65/231091165.db2.gz WAMRIJNREBZZHM-ZDUSSCGKSA-N -1 1 321.362 -0.437 40 0 DBABMM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN([C@@H]4CN5CCC4CC5)C(=O)[C@H]13)O2 ZINC000102794758 304160296 /nfs/dbraw/zinc/16/02/96/304160296.db2.gz RLJSXOYOJXBROB-ZRTFPUAOSA-N -1 1 304.346 -0.053 40 0 DBABMM NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-] ZINC000002384966 374253900 /nfs/dbraw/zinc/25/39/00/374253900.db2.gz PYFIQROSWQERAS-LBPRGKRZSA-N -1 1 318.333 -0.645 40 0 DBABMM CS(=O)(=O)c1c[n-]nc1C[C@H]1CCCN(C(=O)CO)C1 ZINC000257214146 377235751 /nfs/dbraw/zinc/23/57/51/377235751.db2.gz CKTFNKHHZJXXTG-SECBINFHSA-N -1 1 301.368 -0.413 40 0 DBABMM CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(C(=O)CO)C1 ZINC000257214146 377235757 /nfs/dbraw/zinc/23/57/57/377235757.db2.gz CKTFNKHHZJXXTG-SECBINFHSA-N -1 1 301.368 -0.413 40 0 DBABMM C[C@@H]1CCN(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000547558560 381485276 /nfs/dbraw/zinc/48/52/76/381485276.db2.gz YXQCBKJMRJVPJP-PSASIEDQSA-N -1 1 302.356 -0.418 40 0 DBABMM CCOCC(=O)N1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O ZINC000257281009 286022738 /nfs/dbraw/zinc/02/27/38/286022738.db2.gz ONHDOESFGPIEPS-SECBINFHSA-N -1 1 317.367 -0.250 40 0 DBABMM CCOCC(=O)N1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O ZINC000257281009 286022739 /nfs/dbraw/zinc/02/27/39/286022739.db2.gz ONHDOESFGPIEPS-SECBINFHSA-N -1 1 317.367 -0.250 40 0 DBABMM CS(=O)(=O)c1c[n-]nc1[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000072369547 191139879 /nfs/dbraw/zinc/13/98/79/191139879.db2.gz XOGXRAAPEPLZKM-QMMMGPOBSA-N -1 1 307.397 -0.048 40 0 DBABMM CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000072369547 191139880 /nfs/dbraw/zinc/13/98/80/191139880.db2.gz XOGXRAAPEPLZKM-QMMMGPOBSA-N -1 1 307.397 -0.048 40 0 DBABMM COC(=O)c1c(C(N)=O)[n-]nc1[C@@H]1OC[C@H]2OC(C)(C)O[C@H]21 ZINC000004973050 181182417 /nfs/dbraw/zinc/18/24/17/181182417.db2.gz LPTRLXOCHNBPCH-PDFZIDOMSA-N -1 1 311.294 -0.113 40 0 DBABMM CCS(=O)(=O)N1CC[C@H](c2n[n-]cc2S(C)(=O)=O)C1 ZINC000257341515 203063185 /nfs/dbraw/zinc/06/31/85/203063185.db2.gz ZKRLBFFGTNIRGA-QMMMGPOBSA-N -1 1 307.397 -0.048 40 0 DBABMM CCS(=O)(=O)N1CC[C@H](c2[n-]ncc2S(C)(=O)=O)C1 ZINC000257341515 203063188 /nfs/dbraw/zinc/06/31/88/203063188.db2.gz ZKRLBFFGTNIRGA-QMMMGPOBSA-N -1 1 307.397 -0.048 40 0 DBABMM O=C([O-])[C@@H](Cc1cnc[nH]1)N[C@@H]1CNN=C1c1ccccn1 ZINC000004634749 374270050 /nfs/dbraw/zinc/27/00/50/374270050.db2.gz NWCSCKTYKIMEJD-VXGBXAGGSA-N -1 1 300.322 -0.234 40 0 DBABMM COCCOCCOCCOCCOCC[P@](=O)([O-])O ZINC000230490804 375056573 /nfs/dbraw/zinc/05/65/73/375056573.db2.gz RCTDZLSRRJVKHJ-UHFFFAOYSA-N -1 1 316.287 -0.123 40 0 DBABMM C[C@H](NCc1cnc(N2CCOCC2)nc1)[P@](=O)([O-])O ZINC000218772712 382645227 /nfs/dbraw/zinc/64/52/27/382645227.db2.gz BDYHPJKLAGECPN-SECBINFHSA-N -1 1 302.271 -0.074 40 0 DBABMM C[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)P(=O)([O-])[O-] ZINC000218772712 382645228 /nfs/dbraw/zinc/64/52/28/382645228.db2.gz BDYHPJKLAGECPN-SECBINFHSA-N -1 1 302.271 -0.074 40 0 DBABMM O=c1[n-]nc2n(c1=O)C[C@]1(CCN(Cc3nccs3)C1)OC2 ZINC000306141556 231091037 /nfs/dbraw/zinc/09/10/37/231091037.db2.gz WAMRIJNREBZZHM-CYBMUJFWSA-N -1 1 321.362 -0.437 40 0 DBABMM CCS(=O)(=O)N1CC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1 ZINC000257341514 203062847 /nfs/dbraw/zinc/06/28/47/203062847.db2.gz ZKRLBFFGTNIRGA-MRVPVSSYSA-N -1 1 307.397 -0.048 40 0 DBABMM CCS(=O)(=O)N1CC[C@@H](c2[n-]ncc2S(C)(=O)=O)C1 ZINC000257341514 203062849 /nfs/dbraw/zinc/06/28/49/203062849.db2.gz ZKRLBFFGTNIRGA-MRVPVSSYSA-N -1 1 307.397 -0.048 40 0 DBABMM Nc1nc2c(c(=O)[nH]1)CN(c1ccc(S(N)(=O)=O)cc1)CN2 ZINC000018202447 374386230 /nfs/dbraw/zinc/38/62/30/374386230.db2.gz IINCNPYFRSFCNX-UHFFFAOYSA-N -1 1 322.350 -0.611 40 0 in-vitro DBABMM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN([C@@H]4CN5CCC4CC5)C(=O)[C@H]13)O2 ZINC000102794760 304211722 /nfs/dbraw/zinc/21/17/22/304211722.db2.gz RLJSXOYOJXBROB-XRMRDTNMSA-N -1 1 304.346 -0.053 40 0 DBABMM O=c1[n-]nc2n(c1=O)C[C@]1(CCN(Cc3ccoc3)C1)OC2 ZINC000306136799 231090072 /nfs/dbraw/zinc/09/00/72/231090072.db2.gz QDMYLVOAIJQSEB-CQSZACIVSA-N -1 1 304.306 -0.301 40 0 DBABMM COC(=O)c1c(C(N)=O)[n-]nc1[C@H]1OC[C@@H]2OC(C)(C)O[C@@H]12 ZINC000004973049 181182041 /nfs/dbraw/zinc/18/20/41/181182041.db2.gz LPTRLXOCHNBPCH-MPWNKIQUSA-N -1 1 311.294 -0.113 40 0 DBABMM CS(=O)(=O)c1cnc(N2CCC[C@@H](C(=O)[O-])C2)[nH]c1=O ZINC000096516167 374641211 /nfs/dbraw/zinc/64/12/11/374641211.db2.gz HPWGLJNIZYQQCE-SSDOTTSWSA-N -1 1 301.324 -0.113 40 0 DBABMM N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3c[nH]nn3)CS[C@@H]12 ZINC000038613490 183004263 /nfs/dbraw/zinc/00/42/63/183004263.db2.gz MLOZJRLUNNFSGD-RCOVLWMOSA-N -1 1 313.364 -0.522 40 0 DBABMM C[C@H]1CCN(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000547870599 381500710 /nfs/dbraw/zinc/50/07/10/381500710.db2.gz YXQCBKJMRJVPJP-WPRPVWTQSA-N -1 1 302.356 -0.418 40 0 DBABMM CCOCC(=O)N1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O ZINC000257281010 286023119 /nfs/dbraw/zinc/02/31/19/286023119.db2.gz ONHDOESFGPIEPS-VIFPVBQESA-N -1 1 317.367 -0.250 40 0 DBABMM CCOCC(=O)N1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O ZINC000257281010 286023120 /nfs/dbraw/zinc/02/31/20/286023120.db2.gz ONHDOESFGPIEPS-VIFPVBQESA-N -1 1 317.367 -0.250 40 0 DBABMM