smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC001589735109 950527972 /nfs/dbraw/zinc/52/79/72/950527972.db2.gz XJEDODJZHXCLBK-MRXNPFEDSA-N 0 1 345.379 2.796 20 50 EFGDMN C[N@@H+](CCO[Si](C)(C)C(C)(C)C)CC1(O)CCC(C(=O)[O-])CC1 ZINC001593753986 954434206 /nfs/dbraw/zinc/43/42/06/954434206.db2.gz TZJFFZVAABDWKP-UHFFFAOYSA-N 0 1 345.556 2.946 20 50 EFGDMN C[C@@H](CBr)C[N@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001592210965 977258795 /nfs/dbraw/zinc/25/87/95/977258795.db2.gz HZBRCKOYBPISIO-GXFFZTMASA-N 0 1 328.206 2.538 20 50 EFGDMN C[C@@H](CBr)C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592213209 977272471 /nfs/dbraw/zinc/27/24/71/977272471.db2.gz XHBAUNUPOZQSDN-DTWKUNHWSA-N 0 1 333.251 2.662 20 50 EFGDMN O=C([O-])C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CC1 ZINC000833248218 601580691 /nfs/dbraw/zinc/58/06/91/601580691.db2.gz HVHSUKGNZJINHJ-UHFFFAOYSA-N 0 1 343.363 2.550 20 50 EFGDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC001593966550 956553492 /nfs/dbraw/zinc/55/34/92/956553492.db2.gz FUOJYFXEKIDSSW-QGZVFWFLSA-N 0 1 341.835 2.617 20 50 EFGDMN C[C@@H](CBr)C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592213373 977272655 /nfs/dbraw/zinc/27/26/55/977272655.db2.gz XHBAUNUPOZQSDN-IUCAKERBSA-N 0 1 333.251 2.662 20 50 EFGDMN C[NH+](C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001598162384 990659597 /nfs/dbraw/zinc/65/95/97/990659597.db2.gz GFNGNUWPFYHVFC-OAHLLOKOSA-N 0 1 347.802 2.784 20 50 EFGDMN C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000833602420 605260101 /nfs/dbraw/zinc/26/01/01/605260101.db2.gz JJXIRRGHQIZHHZ-AXFHLTTASA-N 0 1 339.823 2.743 20 50 EFGDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCI)C1 ZINC000833421543 605842671 /nfs/dbraw/zinc/84/26/71/605842671.db2.gz RDMFUSYTCWJMHI-JTQLQIEISA-N 0 1 339.217 2.634 20 50 EFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)CC2CCCC2)o1 ZINC000735986992 944731801 /nfs/dbraw/zinc/73/18/01/944731801.db2.gz VPZODIWQGGIPAO-JTQLQIEISA-N 0 1 347.423 2.638 20 50 EFGDMN CC[N@H+](C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001596190588 983564062 /nfs/dbraw/zinc/56/40/62/983564062.db2.gz FHUMJPWOIYBMRP-MRXNPFEDSA-N 0 1 345.374 2.660 20 50 EFGDMN CC[N@@H+](C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001596190588 983564064 /nfs/dbraw/zinc/56/40/64/983564064.db2.gz FHUMJPWOIYBMRP-MRXNPFEDSA-N 0 1 345.374 2.660 20 50 EFGDMN CC[N@@H+](CC(=O)[O-])CC1(O[Si](C)(C)C(C)(C)C)CCOCC1 ZINC001596224876 983615379 /nfs/dbraw/zinc/61/53/79/983615379.db2.gz HMYRKRAGBYANSU-UHFFFAOYSA-N 0 1 331.529 2.964 20 50 EFGDMN C=C(CBr)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001588606269 983696873 /nfs/dbraw/zinc/69/68/73/983696873.db2.gz UMRXORNHIZBSNM-BDAKNGLRSA-N 0 1 330.144 2.523 20 50 EFGDMN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2[N@H+]1C[C@@H](CBr)C1CC1 ZINC001594338312 999299122 /nfs/dbraw/zinc/29/91/22/999299122.db2.gz AXPCXANENSKOGG-KVRLPLMBSA-N 0 1 346.265 2.503 20 50 EFGDMN C[C@H](CBr)C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001592210495 977254827 /nfs/dbraw/zinc/25/48/27/977254827.db2.gz DOYCSGYWABXRAU-SECBINFHSA-N 0 1 330.197 2.913 20 50 EFGDMN C[C@H](CBr)C[N@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001592210971 977258476 /nfs/dbraw/zinc/25/84/76/977258476.db2.gz HZBRCKOYBPISIO-ZWNOBZJWSA-N 0 1 328.206 2.538 20 50 EFGDMN C[C@@H](CBr)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001592213198 977272206 /nfs/dbraw/zinc/27/22/06/977272206.db2.gz XDWKYRBYHVMBER-IACUBPJLSA-N 0 1 326.234 2.818 20 50 EFGDMN C[C@H](CBr)C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592213208 977272363 /nfs/dbraw/zinc/27/23/63/977272363.db2.gz XHBAUNUPOZQSDN-BDAKNGLRSA-N 0 1 333.251 2.662 20 50 EFGDMN C[C@H](C[N@@H+](C)CCP(=O)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736576894 978343932 /nfs/dbraw/zinc/34/39/32/978343932.db2.gz OZZZBMKYJDVACW-MRXNPFEDSA-N 0 1 345.379 2.653 20 50 EFGDMN CC[N@H+](C)[C@H](C(=O)NNc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001596191737 983567240 /nfs/dbraw/zinc/56/72/40/983567240.db2.gz PXHIHVHXMPAGQL-KRWDZBQOSA-N 0 1 341.411 2.829 20 50 EFGDMN CC[N@@H+](C)[C@H](C(=O)NNc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001596191737 983567241 /nfs/dbraw/zinc/56/72/41/983567241.db2.gz PXHIHVHXMPAGQL-KRWDZBQOSA-N 0 1 341.411 2.829 20 50 EFGDMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833614952 605742168 /nfs/dbraw/zinc/74/21/68/605742168.db2.gz YAERQXCAHVVQHF-ZDUSSCGKSA-N 0 1 348.447 2.521 20 50 EFGDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCI)C1 ZINC000833421544 605842646 /nfs/dbraw/zinc/84/26/46/605842646.db2.gz RDMFUSYTCWJMHI-SNVBAGLBSA-N 0 1 339.217 2.634 20 50 EFGDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCP(=O)(c1ccccc1)c1ccccc1 ZINC001589440845 954709418 /nfs/dbraw/zinc/70/94/18/954709418.db2.gz BPJMPQNFSDENGH-SFHVURJKSA-N 0 1 345.379 2.796 20 50 EFGDMN C[C@@H](CBr)C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001592210496 977254737 /nfs/dbraw/zinc/25/47/37/977254737.db2.gz DOYCSGYWABXRAU-VIFPVBQESA-N 0 1 330.197 2.913 20 50 EFGDMN C[C@@H](CBr)C[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001592210959 977259023 /nfs/dbraw/zinc/25/90/23/977259023.db2.gz HZBRCKOYBPISIO-GWCFXTLKSA-N 0 1 328.206 2.538 20 50 EFGDMN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2[N@H+]1C[C@H](CBr)C1CC1 ZINC001594338314 999299287 /nfs/dbraw/zinc/29/92/87/999299287.db2.gz AXPCXANENSKOGG-QJPDTAOJSA-N 0 1 346.265 2.503 20 50 EFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=C2CCC(C)CC2)o1 ZINC000736237372 944774011 /nfs/dbraw/zinc/77/40/11/944774011.db2.gz QCGAFVINCLXAJY-UHFFFAOYSA-N 0 1 345.407 2.558 20 50 EFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCCC2CCCC2)o1 ZINC000820203684 945380441 /nfs/dbraw/zinc/38/04/41/945380441.db2.gz XTSGXLLILWMJFC-UHFFFAOYSA-N 0 1 347.423 2.782 20 50 EFGDMN CC[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001589735107 950529893 /nfs/dbraw/zinc/52/98/93/950529893.db2.gz XJEDODJZHXCLBK-INIZCTEOSA-N 0 1 345.379 2.796 20 50 EFGDMN C[C@H](CBr)C[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001592210968 977258863 /nfs/dbraw/zinc/25/88/63/977258863.db2.gz HZBRCKOYBPISIO-MFKMUULPSA-N 0 1 328.206 2.538 20 50 EFGDMN C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737448324 978409609 /nfs/dbraw/zinc/40/96/09/978409609.db2.gz ISUQURIXNDRTBQ-UHFFFAOYSA-N 0 1 345.379 2.796 20 50 EFGDMN CO[C@@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@@H](C(=O)[O-])C1 ZINC000902031890 980702769 /nfs/dbraw/zinc/70/27/69/980702769.db2.gz NCQGUTCRWCUTGI-HZPDHXFCSA-N 0 1 341.835 2.758 20 50 EFGDMN C[N@H+]1CC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001598624979 994073378 /nfs/dbraw/zinc/07/33/78/994073378.db2.gz ABWBSBNOMARSDX-IRXDYDNUSA-N 0 1 339.395 2.521 20 50 EFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2(C)CCCCCC2)o1 ZINC000824352805 609294862 /nfs/dbraw/zinc/29/48/62/609294862.db2.gz OOKDVNWPPLQQHO-UHFFFAOYSA-N 0 1 347.423 2.782 20 50 EFGDMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC001593966549 956553385 /nfs/dbraw/zinc/55/33/85/956553385.db2.gz FUOJYFXEKIDSSW-KRWDZBQOSA-N 0 1 341.835 2.617 20 50 EFGDMN C[C@H](CBr)C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592213377 977272294 /nfs/dbraw/zinc/27/22/94/977272294.db2.gz XHBAUNUPOZQSDN-RKDXNWHRSA-N 0 1 333.251 2.662 20 50 EFGDMN CO[C@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@H](C(=O)[O-])C1 ZINC000902031886 980702971 /nfs/dbraw/zinc/70/29/71/980702971.db2.gz NCQGUTCRWCUTGI-HOTGVXAUSA-N 0 1 341.835 2.758 20 50 EFGDMN C=C(CBr)C[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001588605552 983693487 /nfs/dbraw/zinc/69/34/87/983693487.db2.gz LGZKRYPZBRIERW-UHFFFAOYSA-N 0 1 340.217 2.703 20 50 EFGDMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833614951 605742370 /nfs/dbraw/zinc/74/23/70/605742370.db2.gz YAERQXCAHVVQHF-CYBMUJFWSA-N 0 1 348.447 2.521 20 50 EFGDMN BrC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094995 1442245410 /nfs/dbraw/zinc/24/54/10/1442245410.db2.gz OFZXMRJZURYYOM-ZDUSSCGKSA-N 0 1 336.237 2.616 20 50 EFGDMN C[C@@H](CBr)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588988227 962776168 /nfs/dbraw/zinc/77/61/68/962776168.db2.gz XDWKYRBYHVMBER-FPMFFAJLSA-N 0 1 326.234 2.818 20 50 EFGDMN CC[C@H](c1ccccc1)[N@@H+](CCI)CC(=O)[O-] ZINC001595363488 980783318 /nfs/dbraw/zinc/78/33/18/980783318.db2.gz GKAIWSMAUSWIBC-GFCCVEGCSA-N 0 1 347.196 2.959 20 50 EFGDMN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2[N@H+]1C[C@H](CBr)C1CC1 ZINC001594338313 999298853 /nfs/dbraw/zinc/29/88/53/999298853.db2.gz AXPCXANENSKOGG-NGBXAZJTSA-N 0 1 346.265 2.503 20 50 EFGDMN CCC[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000829491834 604966989 /nfs/dbraw/zinc/96/69/89/604966989.db2.gz GXXSZEIXTBWLIY-UHFFFAOYSA-N 0 1 345.379 2.797 20 50 EFGDMN C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000833602423 605260019 /nfs/dbraw/zinc/26/00/19/605260019.db2.gz JJXIRRGHQIZHHZ-OUAUKWLOSA-N 0 1 339.823 2.743 20 50 EFGDMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833616208 605742109 /nfs/dbraw/zinc/74/21/09/605742109.db2.gz XKZDIIPQZSBDFO-CQSZACIVSA-N 0 1 348.447 2.666 20 50 EFGDMN BrC[C@H]1CCCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853123 1447289990 /nfs/dbraw/zinc/28/99/90/1447289990.db2.gz GHHKBEHHEVHKCM-CYBMUJFWSA-N 0 1 336.237 2.616 20 50 EFGDMN O=C([O-])[C@H]1CCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000739587280 955254495 /nfs/dbraw/zinc/25/44/95/955254495.db2.gz JEMQERFLVWJOAB-GOSISDBHSA-N 0 1 343.363 2.550 20 50 EFGDMN O=C([O-])[C@@H]1CSCC[N@@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC000901892962 980606167 /nfs/dbraw/zinc/60/61/67/980606167.db2.gz ZYYMBPWIEFEYMW-AWEZNQCLSA-N 0 1 343.876 2.944 20 50 EFGDMN CO[C@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@@H](C(=O)[O-])C1 ZINC000902031893 980703289 /nfs/dbraw/zinc/70/32/89/980703289.db2.gz NCQGUTCRWCUTGI-JKSUJKDBSA-N 0 1 341.835 2.758 20 50 EFGDMN C[NH+](C)[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001598162382 990659341 /nfs/dbraw/zinc/65/93/41/990659341.db2.gz GFNGNUWPFYHVFC-HNNXBMFYSA-N 0 1 347.802 2.784 20 50 EFGDMN CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@H+]1C[C@@](C)(O)C(=O)[O-] ZINC001593396018 995135470 /nfs/dbraw/zinc/13/54/70/995135470.db2.gz FBDPYIOAHZHRDE-XJKSGUPXSA-N 0 1 331.529 2.698 20 50 EFGDMN CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@H+]1C[C@](C)(O)C(=O)[O-] ZINC001593396015 995136093 /nfs/dbraw/zinc/13/60/93/995136093.db2.gz FBDPYIOAHZHRDE-BBRMVZONSA-N 0 1 331.529 2.698 20 50 EFGDMN CO[C@@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@H](C(=O)[O-])C1 ZINC000902031883 980703115 /nfs/dbraw/zinc/70/31/15/980703115.db2.gz NCQGUTCRWCUTGI-CVEARBPZSA-N 0 1 341.835 2.758 20 50 EFGDMN CC(C)(C)[Si](C)(C)OCC[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC001590451510 990014527 /nfs/dbraw/zinc/01/45/27/990014527.db2.gz MODBYPPFXPVABP-UHFFFAOYSA-N 0 1 331.529 2.964 20 50 EFGDMN C[C@@H](C[N@@H+](C)CCP(=O)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736576893 978343631 /nfs/dbraw/zinc/34/36/31/978343631.db2.gz OZZZBMKYJDVACW-INIZCTEOSA-N 0 1 345.379 2.653 20 50 EFGDMN CC[N@H+](C)[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC001596190395 983563715 /nfs/dbraw/zinc/56/37/15/983563715.db2.gz CQXMESKOAFEBKM-MRXNPFEDSA-N 0 1 345.374 2.660 20 50 EFGDMN CC[N@@H+](C)[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC001596190395 983563717 /nfs/dbraw/zinc/56/37/17/983563717.db2.gz CQXMESKOAFEBKM-MRXNPFEDSA-N 0 1 345.374 2.660 20 50 EFGDMN C=C(CBr)C[N@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001588606324 983697212 /nfs/dbraw/zinc/69/72/12/983697212.db2.gz WSUIZFBJDWQTII-UHFFFAOYSA-N 0 1 334.160 2.803 20 50 EFGDMN C[N@@H+](CCC(=O)NNc1cccc(F)c1C(=O)[O-])C1CCCCC1 ZINC001598469996 992011600 /nfs/dbraw/zinc/01/16/00/992011600.db2.gz XCXPCAFGSLZDTJ-UHFFFAOYSA-N 0 1 337.395 2.622 20 50 EFGDMN C[C@H]1CCC[N@@H+](CCCCNC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833613083 605742129 /nfs/dbraw/zinc/74/21/29/605742129.db2.gz CHOBETDEDRDCDZ-AWEZNQCLSA-N 0 1 348.447 2.523 20 50 EFGDMN C[C@H](CBr)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001592213199 977272411 /nfs/dbraw/zinc/27/24/11/977272411.db2.gz XDWKYRBYHVMBER-MRVWCRGKSA-N 0 1 326.234 2.818 20 50 EFGDMN O=C([O-])C[N@@H+](Cc1ccc(OCCCCl)cc1)C1CCOCC1 ZINC000901984147 980664333 /nfs/dbraw/zinc/66/43/33/980664333.db2.gz ODKHZGGRLJMEKI-UHFFFAOYSA-N 0 1 341.835 2.760 20 50 EFGDMN CCCC(CCC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825241970 607806594 /nfs/dbraw/zinc/80/65/94/607806594.db2.gz FWKZFDDCUFMTED-UHFFFAOYSA-N 0 1 335.412 2.638 20 50 EFGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2CCC(C)(C)CC2)o1 ZINC000820202793 945375124 /nfs/dbraw/zinc/37/51/24/945375124.db2.gz LQXCNWYKTAYHHK-UHFFFAOYSA-N 0 1 347.423 2.638 20 50 EFGDMN CC[C@H](C(=O)[O-])[N@@H+](C)CCP(=O)(c1ccccc1)c1ccccc1 ZINC001589440844 954709596 /nfs/dbraw/zinc/70/95/96/954709596.db2.gz BPJMPQNFSDENGH-GOSISDBHSA-N 0 1 345.379 2.796 20 50 EFGDMN O=C([O-])[C@@H]1CCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000739587286 955254379 /nfs/dbraw/zinc/25/43/79/955254379.db2.gz JEMQERFLVWJOAB-SFHVURJKSA-N 0 1 343.363 2.550 20 50 EFGDMN C[C@H](CBr)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588988228 962777162 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CC(C)(C)[Si](C)(C)OC1(C[N@H+]2CC[C@H](C(=O)[O-])C2)CCOCC1 ZINC001590451311 990011993 /nfs/dbraw/zinc/01/19/93/990011993.db2.gz ISAPQFBKACICDK-AWEZNQCLSA-N 0 1 343.540 2.964 20 50 EFGDMN CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@H+]1C[C@](C)(O)C(=O)[O-] ZINC001593396016 995135553 /nfs/dbraw/zinc/13/55/53/995135553.db2.gz FBDPYIOAHZHRDE-CJNGLKHVSA-N 0 1 331.529 2.698 20 50 EFGDMN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2[N@H+]1C[C@@H](CBr)C1CC1 ZINC001594338311 999298877 /nfs/dbraw/zinc/29/88/77/999298877.db2.gz AXPCXANENSKOGG-CYDRSHDDSA-N 0 1 346.265 2.503 20 50 EFGDMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833616206 605742410 /nfs/dbraw/zinc/74/24/10/605742410.db2.gz XKZDIIPQZSBDFO-AWEZNQCLSA-N 0 1 348.447 2.666 20 50 EFGDMN Cc1cc(C)c(C(=O)NNC(=O)c2cc3ccccc3o2)cc1C=O ZINC000793616422 1279775839 /nfs/dbraw/zinc/77/58/39/1279775839.db2.gz VOFKHPIIOLNINR-UHFFFAOYSA-N 0 1 336.347 2.937 20 50 EFGDMN CC(C)[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000820024916 955464376 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