smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(=O)n(C)c1=O ZINC000153429852 265037542 /nfs/dbraw/zinc/03/75/42/265037542.db2.gz GEZHZMBIYKXTCY-UHFFFAOYSA-N -1 2 327.366 -1.351 20 0 EAADLM C[C@H](C[NH+]1CCOCC1)NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000268058278 265265290 /nfs/dbraw/zinc/26/52/90/265265290.db2.gz ZDCRDBMTUJRDAF-LLVKDONJSA-N -1 2 345.425 -1.465 20 0 EAADLM COc1n[nH]c(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000272413425 265301726 /nfs/dbraw/zinc/30/17/26/265301726.db2.gz FXSGTTWNWMOZFA-JTQLQIEISA-N -1 2 338.368 -1.068 20 0 EAADLM COc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000272413428 265245213 /nfs/dbraw/zinc/24/52/13/265245213.db2.gz FXSGTTWNWMOZFA-SNVBAGLBSA-N -1 2 338.368 -1.068 20 0 EAADLM C[C@@H](O)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000274895001 265066131 /nfs/dbraw/zinc/06/61/31/265066131.db2.gz GUXWSLJSAPFWHE-CLZZGJSISA-N -1 2 344.305 -1.452 20 0 EAADLM C[C@@H](O)[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000274895003 265049727 /nfs/dbraw/zinc/04/97/27/265049727.db2.gz GUXWSLJSAPFWHE-FBCQKBJTSA-N -1 2 344.305 -1.452 20 0 EAADLM C[C@H](O)[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000274895005 414962218 /nfs/dbraw/zinc/96/22/18/414962218.db2.gz GUXWSLJSAPFWHE-FFWSUHOLSA-N -1 2 344.305 -1.452 20 0 EAADLM C[C@H](O)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000274895007 374625282 /nfs/dbraw/zinc/62/52/82/374625282.db2.gz GUXWSLJSAPFWHE-MHTLYPKNSA-N -1 2 344.305 -1.452 20 0 EAADLM Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000329197717 265097246 /nfs/dbraw/zinc/09/72/46/265097246.db2.gz UKQDVQLNJDRUHK-GHMZBOCLSA-N -1 2 343.409 -1.760 20 0 EAADLM Cn1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c(=O)n(C)c1=O ZINC000330232169 265009711 /nfs/dbraw/zinc/00/97/11/265009711.db2.gz XHCCGRNKPHMBMY-VIFPVBQESA-N -1 2 339.377 -1.426 20 0 EAADLM CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000331682322 265166771 /nfs/dbraw/zinc/16/67/71/265166771.db2.gz RLAYQNWREFAZPR-HNNXBMFYSA-N -1 2 339.396 -1.355 20 0 EAADLM CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 ZINC000343324249 374690964 /nfs/dbraw/zinc/69/09/64/374690964.db2.gz QRLCSGUBVADYQN-SNVBAGLBSA-N -1 2 326.353 -1.318 20 0 EAADLM CC(C)(CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC000345563327 265352830 /nfs/dbraw/zinc/35/28/30/265352830.db2.gz ASIXNIRLGWRBNC-UHFFFAOYSA-N -1 2 340.380 -1.218 20 0 EAADLM COC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C(C)C ZINC000352349643 265338207 /nfs/dbraw/zinc/33/82/07/265338207.db2.gz MLRPFUQDOZOPRH-IAQYHMDHSA-N -1 2 340.380 -1.026 20 0 EAADLM O=C1NC(=O)N2CCN(S(=O)(=O)CCC[NH+]3CCOCC3)C[C@H]12 ZINC000361810555 265117705 /nfs/dbraw/zinc/11/77/05/265117705.db2.gz XJWKLOMWDAQKOK-LLVKDONJSA-N -1 2 346.409 -1.726 20 0 EAADLM CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000362690777 265238157 /nfs/dbraw/zinc/23/81/57/265238157.db2.gz WABDWPFPMXJAOV-NSHDSACASA-N -1 2 339.396 -1.357 20 0 EAADLM O=C([O-])C1(NS(=O)(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)COC1 ZINC000366641511 374641365 /nfs/dbraw/zinc/64/13/65/374641365.db2.gz LYEJAFOLSVFTDB-UHFFFAOYSA-N -1 2 342.289 -1.432 20 0 EAADLM O=C(CN1CC(=O)NC1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000369157733 265081850 /nfs/dbraw/zinc/08/18/50/265081850.db2.gz OQFWBVLPHQLBNU-CQSZACIVSA-N -1 2 342.421 -1.138 20 0 EAADLM O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000371194873 415132174 /nfs/dbraw/zinc/13/21/74/415132174.db2.gz HAIACYJBAMPRJW-HZMBPMFUSA-N -1 2 342.421 -1.091 20 0 EAADLM O=C(C[C@@H]1NC(=O)NC1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000371194877 374797625 /nfs/dbraw/zinc/79/76/25/374797625.db2.gz HAIACYJBAMPRJW-IINYFYTJSA-N -1 2 342.421 -1.091 20 0 EAADLM CN1CC[NH+](C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)CC1 ZINC000371224812 265009966 /nfs/dbraw/zinc/00/99/66/265009966.db2.gz BZXJJEDCVYYRFX-RYUDHWBXSA-N -1 2 339.396 -1.941 20 0 EAADLM C[N@@H+]1CCN(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C(=O)C1 ZINC000371568715 415134885 /nfs/dbraw/zinc/13/48/85/415134885.db2.gz AQPUMASRMGKXKZ-UHFFFAOYSA-N -1 2 337.380 -1.697 20 0 EAADLM O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1ccc2c(c1)C(=O)NC2=O ZINC000425292517 265242608 /nfs/dbraw/zinc/24/26/08/265242608.db2.gz ZDFIIJGFUUGKFV-LLVKDONJSA-N -1 2 333.344 -1.007 20 0 EAADLM Cn1[n-]nnc1=NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000527075514 374753377 /nfs/dbraw/zinc/75/33/77/374753377.db2.gz IAHZQDXDROMHQH-UHFFFAOYSA-N -1 2 343.335 -1.095 20 0 EAADLM C[C@@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2cn(C)cn2)CCO1 ZINC000531785822 374587529 /nfs/dbraw/zinc/58/75/29/374587529.db2.gz OUDJFYPFMOQPGS-LLVKDONJSA-N -1 2 345.425 -1.465 20 0 EAADLM C[C@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2cn(C)cn2)CCO1 ZINC000531785823 374587563 /nfs/dbraw/zinc/58/75/63/374587563.db2.gz OUDJFYPFMOQPGS-NSHDSACASA-N -1 2 345.425 -1.465 20 0 EAADLM C[C@@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000532296034 374729676 /nfs/dbraw/zinc/72/96/76/374729676.db2.gz RABLAFCBCXDMFX-LLVKDONJSA-N -1 2 345.425 -1.465 20 0 EAADLM C[C@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000532296035 374729503 /nfs/dbraw/zinc/72/95/03/374729503.db2.gz RABLAFCBCXDMFX-NSHDSACASA-N -1 2 345.425 -1.465 20 0 EAADLM COC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000547570534 375025202 /nfs/dbraw/zinc/02/52/02/375025202.db2.gz WPFZOTAHVMPXCK-SSDOTTSWSA-N -1 2 344.305 -1.186 20 0 EAADLM COC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000547570543 375025393 /nfs/dbraw/zinc/02/53/93/375025393.db2.gz WPFZOTAHVMPXCK-ZETCQYMHSA-N -1 2 344.305 -1.186 20 0 EAADLM O=C([O-])COCCNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000547610674 375027532 /nfs/dbraw/zinc/02/75/32/375027532.db2.gz CTVDFMNRYBSXBH-UHFFFAOYSA-N -1 2 344.305 -1.185 20 0 EAADLM CO[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000548220082 375032417 /nfs/dbraw/zinc/03/24/17/375032417.db2.gz YJOCOUOGUJGOJN-SSDOTTSWSA-N -1 2 344.305 -1.186 20 0 EAADLM CO[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000548220087 375032652 /nfs/dbraw/zinc/03/26/52/375032652.db2.gz YJOCOUOGUJGOJN-ZETCQYMHSA-N -1 2 344.305 -1.186 20 0 EAADLM CC(C)Nc1nc(NCCO)nc(N2CCO[C@@H](C(=O)[O-])C2)[nH+]1 ZINC000566550486 375065996 /nfs/dbraw/zinc/06/59/96/375065996.db2.gz FBVJBUMFGYOXGQ-SECBINFHSA-N -1 2 326.357 -1.770 20 0 EAADLM CC(C)Nc1nc(NCCO)nc(N2CCO[C@H](C(=O)[O-])C2)[nH+]1 ZINC000566550487 375066046 /nfs/dbraw/zinc/06/60/46/375066046.db2.gz FBVJBUMFGYOXGQ-VIFPVBQESA-N -1 2 326.357 -1.770 20 0 EAADLM CC(C)Nc1nc(N2CCO[C@@H](CC(=O)[O-])C2)nc(NCCO)[nH+]1 ZINC000575991721 375106849 /nfs/dbraw/zinc/10/68/49/375106849.db2.gz AKORSQPZRRRNHD-JTQLQIEISA-N -1 2 340.384 -1.380 20 0 EAADLM CC(C)Nc1nc(N2CCO[C@H](CC(=O)[O-])C2)nc(NCCO)[nH+]1 ZINC000575991722 375106552 /nfs/dbraw/zinc/10/65/52/375106552.db2.gz AKORSQPZRRRNHD-SNVBAGLBSA-N -1 2 340.384 -1.380 20 0 EAADLM C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1CC(=O)NC1=O ZINC000628576732 374894637 /nfs/dbraw/zinc/89/46/37/374894637.db2.gz GVVDIUWPAKPDQY-HNNXBMFYSA-N -1 2 340.380 -1.730 20 0 EAADLM C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1CC(=O)NC1=O ZINC000628576735 374894026 /nfs/dbraw/zinc/89/40/26/374894026.db2.gz GVVDIUWPAKPDQY-OAHLLOKOSA-N -1 2 340.380 -1.730 20 0 EAADLM C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000628578607 374895504 /nfs/dbraw/zinc/89/55/04/374895504.db2.gz OIIPBTRXFBUIBN-BONVTDFDSA-N -1 2 340.380 -1.684 20 0 EAADLM C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000628578608 374893877 /nfs/dbraw/zinc/89/38/77/374893877.db2.gz OIIPBTRXFBUIBN-ZUZCIYMTSA-N -1 2 340.380 -1.684 20 0 EAADLM CC(C)Nc1nc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)nc(NCCO)[nH+]1 ZINC000652537057 414907010 /nfs/dbraw/zinc/90/70/10/414907010.db2.gz XRLFZUDNULCEAV-NXEZZACHSA-N -1 2 340.384 -1.382 20 0 EAADLM CN(c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736842344 583223389 /nfs/dbraw/zinc/22/33/89/583223389.db2.gz OYPIAZWVKXWCLW-JTQLQIEISA-N -1 2 346.395 -1.063 20 0 EAADLM CN(c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000736842346 583223471 /nfs/dbraw/zinc/22/34/71/583223471.db2.gz OYPIAZWVKXWCLW-SNVBAGLBSA-N -1 2 346.395 -1.063 20 0 EAADLM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000739632922 600151070 /nfs/dbraw/zinc/15/10/70/600151070.db2.gz BXCYSTQNAYBWJF-MRVPVSSYSA-N -1 2 334.292 -2.127 20 0 EAADLM O=C([O-])C[C@H]1C(=O)NCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000739632927 600151016 /nfs/dbraw/zinc/15/10/16/600151016.db2.gz BXCYSTQNAYBWJF-QMMMGPOBSA-N -1 2 334.292 -2.127 20 0 EAADLM O=C([O-])N1CCN(CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000740387639 602503822 /nfs/dbraw/zinc/50/38/22/602503822.db2.gz NXWNECWWQFKVPG-UHFFFAOYSA-N -1 2 349.351 -1.517 20 0 EAADLM CS(=O)(=O)CCS(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742286046 583242365 /nfs/dbraw/zinc/24/23/65/583242365.db2.gz WQWFSFWCEBKHCT-GHMZBOCLSA-N -1 2 326.440 -1.186 20 0 EAADLM CS(=O)(=O)CCS(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742286047 583242420 /nfs/dbraw/zinc/24/24/20/583242420.db2.gz WQWFSFWCEBKHCT-MNOVXSKESA-N -1 2 326.440 -1.186 20 0 EAADLM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000816014234 583322964 /nfs/dbraw/zinc/32/29/64/583322964.db2.gz RURGNLOGYRCRJS-LURJTMIESA-N -1 2 333.288 -1.379 20 0 EAADLM CC(=O)NCCN(C(=O)C[C@H]1SC(=N)NC1=O)[C@H](C)C(=O)[O-] ZINC000819744390 583329046 /nfs/dbraw/zinc/32/90/46/583329046.db2.gz KPJOUJCJMTWMKP-HTRCEHHLSA-N -1 2 330.366 -1.019 20 0 EAADLM CC(=O)NCCN(C(=O)C[C@H]1SC(=N)NC1=O)[C@@H](C)C(=O)[O-] ZINC000819744391 583328894 /nfs/dbraw/zinc/32/88/94/583328894.db2.gz KPJOUJCJMTWMKP-POYBYMJQSA-N -1 2 330.366 -1.019 20 0 EAADLM CC(=O)NCCN(C(=O)C[C@@H]1SC(=N)NC1=O)[C@H](C)C(=O)[O-] ZINC000819744392 583328827 /nfs/dbraw/zinc/32/88/27/583328827.db2.gz KPJOUJCJMTWMKP-SVRRBLITSA-N -1 2 330.366 -1.019 20 0 EAADLM CC(=O)NCCN(C(=O)C[C@@H]1SC(=N)NC1=O)[C@@H](C)C(=O)[O-] ZINC000819744393 583328842 /nfs/dbraw/zinc/32/88/42/583328842.db2.gz KPJOUJCJMTWMKP-XPUUQOCRSA-N -1 2 330.366 -1.019 20 0 EAADLM COc1cccc(S(O)=CC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000820588450 583332312 /nfs/dbraw/zinc/33/23/12/583332312.db2.gz QFXSIZXGGDQMPZ-FQEVSTJZSA-N -1 2 334.375 -1.266 20 0 EAADLM COc1cccc(S(O)=CC(=O)[N-]S(=O)(=O)CC(N)=O)c1 ZINC000820588451 583332121 /nfs/dbraw/zinc/33/21/21/583332121.db2.gz QFXSIZXGGDQMPZ-HXUWFJFHSA-N -1 2 334.375 -1.266 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n(C)c1=O ZINC000821629146 583336389 /nfs/dbraw/zinc/33/63/89/583336389.db2.gz ZSJLXYYNZPTTSO-BDAKNGLRSA-N -1 2 348.367 -2.217 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n(C)c1=O ZINC000821629146 583336386 /nfs/dbraw/zinc/33/63/86/583336386.db2.gz ZSJLXYYNZPTTSO-BDAKNGLRSA-N -1 2 348.367 -2.217 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n(C)c1=O ZINC000821629147 583335952 /nfs/dbraw/zinc/33/59/52/583335952.db2.gz ZSJLXYYNZPTTSO-DTWKUNHWSA-N -1 2 348.367 -2.217 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n(C)c1=O ZINC000821629147 583335950 /nfs/dbraw/zinc/33/59/50/583335950.db2.gz ZSJLXYYNZPTTSO-DTWKUNHWSA-N -1 2 348.367 -2.217 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n(C)c1=O ZINC000821629148 583336357 /nfs/dbraw/zinc/33/63/57/583336357.db2.gz ZSJLXYYNZPTTSO-IUCAKERBSA-N -1 2 348.367 -2.217 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n(C)c1=O ZINC000821629148 583336355 /nfs/dbraw/zinc/33/63/55/583336355.db2.gz ZSJLXYYNZPTTSO-IUCAKERBSA-N -1 2 348.367 -2.217 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n(C)c1=O ZINC000821629149 583336163 /nfs/dbraw/zinc/33/61/63/583336163.db2.gz ZSJLXYYNZPTTSO-RKDXNWHRSA-N -1 2 348.367 -2.217 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n(C)c1=O ZINC000821629149 583336160 /nfs/dbraw/zinc/33/61/60/583336160.db2.gz ZSJLXYYNZPTTSO-RKDXNWHRSA-N -1 2 348.367 -2.217 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N[C@@H]2CCc3[nH+]c[nH]c3C2)n(C)c1=O ZINC000822600105 583339487 /nfs/dbraw/zinc/33/94/87/583339487.db2.gz KCZUXQFDHNRCOV-SSDOTTSWSA-N -1 2 343.351 -1.043 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N[C@@H]2CCc3[nH]c[nH+]c3C2)n(C)c1=O ZINC000822600105 583339486 /nfs/dbraw/zinc/33/94/86/583339486.db2.gz KCZUXQFDHNRCOV-SSDOTTSWSA-N -1 2 343.351 -1.043 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N[C@H]2CCc3[nH+]c[nH]c3C2)n(C)c1=O ZINC000822600106 583339436 /nfs/dbraw/zinc/33/94/36/583339436.db2.gz KCZUXQFDHNRCOV-ZETCQYMHSA-N -1 2 343.351 -1.043 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(N[C@H]2CCc3[nH]c[nH+]c3C2)n(C)c1=O ZINC000822600106 583339433 /nfs/dbraw/zinc/33/94/33/583339433.db2.gz KCZUXQFDHNRCOV-ZETCQYMHSA-N -1 2 343.351 -1.043 20 0 EAADLM Cn1c(NCc2ccc(C(N)=O)o2)c(-c2nn[nH]n2)c(=O)n(C)c1=O ZINC000822600375 583339403 /nfs/dbraw/zinc/33/94/03/583339403.db2.gz MQRKSTKGZQSMLC-UHFFFAOYSA-N -1 2 346.307 -1.432 20 0 EAADLM Cn1c(=O)c(-c2nn[nH]n2)c(NCc2nnnn2C2CC2)n(C)c1=O ZINC000822600384 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WRAJLOMWPWFBJN-ZJUUUORDSA-N -1 2 326.401 -1.098 20 0 EAADLM CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001220752856 794352138 /nfs/dbraw/zinc/35/21/38/794352138.db2.gz SOFOTTCEPIWIDA-MNOVXSKESA-N -1 2 336.352 -1.771 20 0 EAADLM O=S(=O)([O-])CCCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224893129 785843832 /nfs/dbraw/zinc/84/38/32/785843832.db2.gz HTQVBKVGWLZLKZ-JTQLQIEISA-N -1 2 347.411 -1.131 20 0 EAADLM O=S(=O)([O-])CCCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224893130 785843768 /nfs/dbraw/zinc/84/37/68/785843768.db2.gz HTQVBKVGWLZLKZ-SNVBAGLBSA-N -1 2 347.411 -1.131 20 0 EAADLM CCCC(=O)NCC(=O)NCCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001234923105 794627761 /nfs/dbraw/zinc/62/77/61/794627761.db2.gz LEWHHICNNZIBJO-UHFFFAOYSA-N -1 2 326.401 -1.037 20 0 EAADLM COCCOC[C@H](O)C[NH+]1CC(NC(=O)c2cnc[nH]c2=O)C1 ZINC001267648688 785267487 /nfs/dbraw/zinc/26/74/87/785267487.db2.gz AKELIEONGZIEND-LLVKDONJSA-N -1 2 326.353 -1.380 20 0 EAADLM COCCOC[C@@H](O)C[NH+]1CC(NC(=O)c2cnc[nH]c2=O)C1 ZINC001267648689 785267596 /nfs/dbraw/zinc/26/75/96/785267596.db2.gz AKELIEONGZIEND-NSHDSACASA-N -1 2 326.353 -1.380 20 0 EAADLM CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001268489194 785435172 /nfs/dbraw/zinc/43/51/72/785435172.db2.gz IIVXZELLJFNIDQ-UHFFFAOYSA-N -1 2 349.395 -1.307 20 0 EAADLM