smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)CNC(=O)CN)cc1C(=O)[O-] ZINC000104338023 185974690 /nfs/dbraw/zinc/97/46/90/185974690.db2.gz CBFMBFCAAQRFSA-UHFFFAOYSA-N -1 1 265.269 -0.293 10 0 CBAEMM C[S@](=O)CCC[N-]C(=S)SC[C@H]([NH3+])C(=O)[O-] ZINC000090556763 180003513 /nfs/dbraw/zinc/00/35/13/180003513.db2.gz TVMBFSAEYQAFEF-XABCROFNSA-N -1 1 284.428 -0.225 10 0 CBAEMM CCOC(=O)N(CC(=O)OC)C[P@](=O)([O-])O ZINC000003096039 351310995 /nfs/dbraw/zinc/31/09/95/351310995.db2.gz JRTGVDKQTWRSFU-UHFFFAOYSA-N -1 1 255.163 -0.247 10 0 CBAEMM Cc1noc(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000038034401 351412867 /nfs/dbraw/zinc/41/28/67/351412867.db2.gz JXJPLEFJHMAPHH-UHFFFAOYSA-N -1 1 287.257 -0.722 10 0 CBAEMM CCOc1ccc2c(c1)[n+]([O-])c(C(=O)OC)c(=O)n2[O-] ZINC000225417431 352248726 /nfs/dbraw/zinc/24/87/26/352248726.db2.gz XOTJKPZUCQQQDS-UHFFFAOYSA-N -1 1 281.244 -0.051 10 0 CBAEMM COC(=O)c1ccc(-c2nn[n-]n2)c(S(N)(=O)=O)c1 ZINC000584597367 355032590 /nfs/dbraw/zinc/03/25/90/355032590.db2.gz IKHWRVYGFJFJJY-UHFFFAOYSA-N -1 1 283.269 -0.699 10 0 CBAEMM C[C@@H](O)[C@@H](C(=O)[O-])N(C(=O)CN)c1ccccc1 ZINC000584602228 355033416 /nfs/dbraw/zinc/03/34/16/355033416.db2.gz JUNOWESWMGDSAZ-KCJUWKMLSA-N -1 1 252.270 -0.188 10 0 CBAEMM NS(=O)(=O)N1CCN[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616635366 356103836 /nfs/dbraw/zinc/10/38/36/356103836.db2.gz REIFSJABWNSTQL-JTQLQIEISA-N -1 1 285.325 -0.465 10 0 CBAEMM CN(C)[C@H](Cc1ccccc1)C(=O)[N-]OCC(N)=O ZINC000180376342 189252409 /nfs/dbraw/zinc/25/24/09/189252409.db2.gz DCZYKMIXKBTPMO-LLVKDONJSA-N -1 1 265.313 -0.308 10 0 CBAEMM C[C@@H](C(=O)Nc1nnn[n-]1)N1C(=O)c2ccccc2C1=O ZINC000000040584 169514261 /nfs/dbraw/zinc/51/42/61/169514261.db2.gz BURVQPFOVCMESO-LURJTMIESA-N -1 1 286.251 -0.177 10 0 CBAEMM C[C@@H](C(=O)Nc1nn[n-]n1)N1C(=O)c2ccccc2C1=O ZINC000000040584 169514262 /nfs/dbraw/zinc/51/42/62/169514262.db2.gz BURVQPFOVCMESO-LURJTMIESA-N -1 1 286.251 -0.177 10 0 CBAEMM CCCNC(=O)NC(=O)CSc1nc(N)cc(=O)[n-]1 ZINC000006313696 170190546 /nfs/dbraw/zinc/19/05/46/170190546.db2.gz YZMWCAVYFKVNDD-UHFFFAOYSA-N -1 1 285.329 -0.320 10 0 CBAEMM O=C1c2cccc([O-])c2C(=O)N1[C@@H]1CCC(=O)NC1=O ZINC000008662715 170344564 /nfs/dbraw/zinc/34/45/64/170344564.db2.gz XMPJICVFSDYOEG-SSDOTTSWSA-N -1 1 274.232 -0.207 10 0 CBAEMM Cn1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cn1 ZINC000020215758 171077931 /nfs/dbraw/zinc/07/79/31/171077931.db2.gz KWUSMJUTBMEOFI-SECBINFHSA-N -1 1 263.257 -0.431 10 0 CBAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)C1=COCCO1 ZINC000020258440 171114437 /nfs/dbraw/zinc/11/44/37/171114437.db2.gz NWXSFUNEICQGQD-MRVPVSSYSA-N -1 1 267.241 -0.590 10 0 CBAEMM CCNC(=O)NC(=O)C(C)S(=O)(=O)[C@H](C)C(=O)[O-] ZINC000020421331 171187360 /nfs/dbraw/zinc/18/73/60/171187360.db2.gz GSQZGTOJOBEPDP-NTSWFWBYSA-N -1 1 280.302 -0.892 10 0 CBAEMM Cc1cnc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cn1 ZINC000022219908 171377409 /nfs/dbraw/zinc/37/74/09/171377409.db2.gz SWEZKOOFKZZYFX-VIFPVBQESA-N -1 1 275.268 -0.066 10 0 CBAEMM CN(C)C(=O)Cc1nc(CNCC(=O)[O-])cs1 ZINC000035384890 172167242 /nfs/dbraw/zinc/16/72/42/172167242.db2.gz AVZVHSGMBUHIEU-UHFFFAOYSA-N -1 1 257.315 -0.052 10 0 CBAEMM C[C@@H](NCC(=O)NC(=O)NCc1ccco1)C(=O)[O-] ZINC000035387230 172169096 /nfs/dbraw/zinc/16/90/96/172169096.db2.gz YGYBRGKKDFOFLE-SSDOTTSWSA-N -1 1 269.257 -0.332 10 0 CBAEMM CC(C)NC(=O)NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000035391530 172176536 /nfs/dbraw/zinc/17/65/36/172176536.db2.gz WGTBWQOOAWIRSM-VIFPVBQESA-N -1 1 259.306 -0.081 10 0 CBAEMM CC[C@@H](CO)[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000035610162 172295886 /nfs/dbraw/zinc/29/58/86/172295886.db2.gz NGIDAIHHOPAJGY-LURJTMIESA-N -1 1 266.344 -0.206 10 0 CBAEMM CC(=O)N(C)CC(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000035680875 172352288 /nfs/dbraw/zinc/35/22/88/172352288.db2.gz QSJLZJCGNQKRBI-UHFFFAOYSA-N -1 1 271.317 -0.916 10 0 CBAEMM CCC[C@H](C)NC(=O)CN1CCN(CC(=O)[O-])CC1 ZINC000035680625 172352468 /nfs/dbraw/zinc/35/24/68/172352468.db2.gz MXGIXPGZTWHTFO-NSHDSACASA-N -1 1 271.361 -0.007 10 0 CBAEMM CCCNC(=O)[C@H](C)N1CCN(CCC(=O)[O-])CC1 ZINC000035687289 172354950 /nfs/dbraw/zinc/35/49/50/172354950.db2.gz NLXZLNXPINTNEL-NSHDSACASA-N -1 1 271.361 -0.007 10 0 CBAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cnsn1 ZINC000035687369 172355003 /nfs/dbraw/zinc/35/50/03/172355003.db2.gz ORRAUDBPHOPYLE-LURJTMIESA-N -1 1 267.270 -0.313 10 0 CBAEMM Cc1noc(C[N-]S(=O)(=O)c2sc(=O)[nH]c2C)n1 ZINC000038035206 174033140 /nfs/dbraw/zinc/03/31/40/174033140.db2.gz GJLMKUBYMNBISD-UHFFFAOYSA-N -1 1 290.326 -0.085 10 0 CBAEMM C[C@H](CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)N(C)C ZINC000038088128 174100853 /nfs/dbraw/zinc/10/08/53/174100853.db2.gz ZKCSHRJPQXBTDM-SSDOTTSWSA-N -1 1 275.330 -0.059 10 0 CBAEMM NC(=O)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)[O-] ZINC000040472618 174280585 /nfs/dbraw/zinc/28/05/85/174280585.db2.gz QGSCDHMVEGAQLU-QWRGUYRKSA-N -1 1 291.307 -0.854 10 0 CBAEMM C[C@H](NS(=O)(=O)c1ccc(N)cc1)c1nn[n-]n1 ZINC000044887032 175270587 /nfs/dbraw/zinc/27/05/87/175270587.db2.gz APIKTJGODDYLMI-LURJTMIESA-N -1 1 268.302 -0.179 10 0 CBAEMM C[C@H](NS(=O)(=O)c1cc(N)cc(F)c1)c1nn[n-]n1 ZINC000071402989 176154916 /nfs/dbraw/zinc/15/49/16/176154916.db2.gz VAGDAOMAOZPUCU-YFKPBYRVSA-N -1 1 286.292 -0.040 10 0 CBAEMM O=C(c1cc(F)ccc1[O-])N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000124061828 544452516 /nfs/dbraw/zinc/45/25/16/544452516.db2.gz MAQAQQGAFRVIBJ-ZDUSSCGKSA-N -1 1 293.254 -0.045 10 0 CBAEMM CC(C)N1C(=O)C[C@@H](N[C@@H](C(=O)[O-])C2CC2)C1=O ZINC000054522364 519666527 /nfs/dbraw/zinc/66/65/27/519666527.db2.gz NUYFHFMHOQHIBL-PSASIEDQSA-N -1 1 254.286 -0.025 10 0 CBAEMM COCCN(CC(=O)[O-])c1ncnc2[nH]cnc21 ZINC000049607141 523667767 /nfs/dbraw/zinc/66/77/67/523667767.db2.gz GTXIXAHUYPGQPC-UHFFFAOYSA-N -1 1 251.246 -0.110 10 0 CBAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)N1CC[C@H](O)C1 ZINC000061712875 526307978 /nfs/dbraw/zinc/30/79/78/526307978.db2.gz MEJSKANMOOQJCU-IUCAKERBSA-N -1 1 268.273 -0.818 10 0 CBAEMM N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000034290097 571750951 /nfs/dbraw/zinc/75/09/51/571750951.db2.gz MYVYPSWUSKCCHG-PWSUYJOCSA-N -1 1 291.307 -0.401 10 0 endogenous,in-man CBAEMM N[C@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000034290100 571751072 /nfs/dbraw/zinc/75/10/72/571751072.db2.gz LZLREEUGSYITMX-PWSUYJOCSA-N -1 1 291.307 -0.401 10 0 endogenous,in-man CBAEMM CCCNC(=O)CN(C)C(=O)CN[C@@H](CCC)C(=O)[O-] ZINC000036839597 656002061 /nfs/dbraw/zinc/00/20/61/656002061.db2.gz YVXGAWUNDOHUJD-JTQLQIEISA-N -1 1 287.360 -0.186 10 0 CBAEMM CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCC(=O)[O-])C1 ZINC000262824096 656133617 /nfs/dbraw/zinc/13/36/17/656133617.db2.gz PTWKMCCLJJPYAL-UHFFFAOYSA-N -1 1 272.301 -0.095 10 0 CBAEMM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1ccns1 ZINC000717791083 656230931 /nfs/dbraw/zinc/23/09/31/656230931.db2.gz CYNGAWMZYQPLAV-BQBZGAKWSA-N -1 1 264.328 -0.429 10 0 CBAEMM [NH3+]C1CN(c2nc[nH]c(=O)c2I)C1 ZINC000166093655 351986990 /nfs/dbraw/zinc/98/69/90/351986990.db2.gz RFVKWOPAJJVIGN-UHFFFAOYSA-N -1 1 292.080 -0.478 10 0 CBAEMM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000248423568 352351460 /nfs/dbraw/zinc/35/14/60/352351460.db2.gz FMKLHSLATCIMMX-BWZBUEFSSA-N -1 1 267.289 -0.429 10 0 CBAEMM NS(=O)(=O)N1c2ccccc2CC[C@H]1c1nn[n-]n1 ZINC000616670634 356108902 /nfs/dbraw/zinc/10/89/02/356108902.db2.gz XMJHMPNSXDPCGF-VIFPVBQESA-N -1 1 280.313 -0.103 10 0 CBAEMM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCNCC1 ZINC000005282907 170082442 /nfs/dbraw/zinc/08/24/42/170082442.db2.gz FGUXXMYEGFFALW-RCWTZXSCSA-N -1 1 250.298 -0.059 10 0 CBAEMM O=C1Nc2ccccc2C1=C1C(=O)[N-]C(=S)NC1=O ZINC000005379063 170091775 /nfs/dbraw/zinc/09/17/75/170091775.db2.gz QWVGRPBSGMLQLM-UHFFFAOYSA-N -1 1 273.273 -0.077 10 0 CBAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1=COCCO1 ZINC000020258441 171113918 /nfs/dbraw/zinc/11/39/18/171113918.db2.gz NWXSFUNEICQGQD-QMMMGPOBSA-N -1 1 267.241 -0.590 10 0 CBAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSC(=O)N1 ZINC000020258420 171113981 /nfs/dbraw/zinc/11/39/81/171113981.db2.gz FUUXLONKJYPOOC-NKWVEPMBSA-N -1 1 284.297 -0.653 10 0 CBAEMM CCNC(=O)NC(=O)C(C)S(=O)(=O)CCC(=O)[O-] ZINC000020421515 171187530 /nfs/dbraw/zinc/18/75/30/171187530.db2.gz YQPMWLIRSDSHFK-LURJTMIESA-N -1 1 280.302 -0.890 10 0 CBAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)N1C(=O)CCCC1=O ZINC000020423162 171189952 /nfs/dbraw/zinc/18/99/52/171189952.db2.gz HCVBSFBMXNQVLP-MRVPVSSYSA-N -1 1 251.242 -0.056 10 0 CBAEMM CC(=O)NCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000035296812 172109840 /nfs/dbraw/zinc/10/98/40/172109840.db2.gz NUFWFTLIESPIEN-JTQLQIEISA-N -1 1 271.317 -0.965 10 0 CBAEMM CC(C)CCNC(=O)NC(=O)CN[C@@H](C)C(=O)[O-] ZINC000035387176 172168853 /nfs/dbraw/zinc/16/88/53/172168853.db2.gz UFVDOQGXHJIGGU-QMMMGPOBSA-N -1 1 259.306 -0.079 10 0 CBAEMM CC(C)CCNC(=O)NC(=O)CN[C@H](C)C(=O)[O-] ZINC000035387178 172168860 /nfs/dbraw/zinc/16/88/60/172168860.db2.gz UFVDOQGXHJIGGU-MRVPVSSYSA-N -1 1 259.306 -0.079 10 0 CBAEMM C[C@H](NCC(=O)NC(=O)NC1CCCC1)C(=O)[O-] ZINC000035388262 172170144 /nfs/dbraw/zinc/17/01/44/172170144.db2.gz SLNJVXDNIRUXDX-ZETCQYMHSA-N -1 1 257.290 -0.183 10 0 CBAEMM CC(C)NC(=O)NC(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000035391531 172176047 /nfs/dbraw/zinc/17/60/47/172176047.db2.gz WGTBWQOOAWIRSM-SECBINFHSA-N -1 1 259.306 -0.081 10 0 CBAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](C)O ZINC000035609234 172294498 /nfs/dbraw/zinc/29/44/98/172294498.db2.gz GKVNTSHDZBSSKT-YFKPBYRVSA-N -1 1 257.315 -0.089 10 0 CBAEMM C[C@@H]1CC(=O)N([C@@H](Cc2cnc[nH]2)C(=O)[O-])C1=O ZINC000038051815 174063645 /nfs/dbraw/zinc/06/36/45/174063645.db2.gz RSVGNEBXNCOWPA-SVRRBLITSA-N -1 1 251.242 -0.200 10 0 CBAEMM C[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)N(C)C ZINC000038088344 174101749 /nfs/dbraw/zinc/10/17/49/174101749.db2.gz VMLZVHMUMSDXSB-SECBINFHSA-N -1 1 293.389 -0.433 10 0 CBAEMM N[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])c1ccccc1 ZINC000040470672 174278801 /nfs/dbraw/zinc/27/88/01/174278801.db2.gz FEVGWKFRYWVQHL-OUAUKWLOSA-N -1 1 264.281 -0.267 10 0 CBAEMM O=C([O-])c1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1 ZINC000044930050 175279571 /nfs/dbraw/zinc/27/95/71/175279571.db2.gz BPPPWDZTMYFYIO-UHFFFAOYSA-N -1 1 283.269 -0.624 10 0 CBAEMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]Cc1nccn1C ZINC000071272928 176105375 /nfs/dbraw/zinc/10/53/75/176105375.db2.gz LTMGKCLLODQOBC-UHFFFAOYSA-N -1 1 288.354 -0.043 10 0 CBAEMM O=C(c1cc(F)ccc1[O-])N1CC[C@]2(C1)NC(=O)NC2=O ZINC000124061570 544451942 /nfs/dbraw/zinc/45/19/42/544451942.db2.gz MAQAQQGAFRVIBJ-CYBMUJFWSA-N -1 1 293.254 -0.045 10 0 CBAEMM O=C([O-])CN1CC[C@H](N2CCN3CCCC[C@H]3C2)C1=O ZINC000662202395 419554665 /nfs/dbraw/zinc/55/46/65/419554665.db2.gz AXEFRKNLDAZHQR-RYUDHWBXSA-N -1 1 281.356 -0.158 10 0 CBAEMM NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000013541462 303366343 /nfs/dbraw/zinc/36/63/43/303366343.db2.gz OOCFXNOVSLSHAB-DTWKUNHWSA-N -1 1 269.301 -0.988 10 0 CBAEMM NC(=O)[C@@]1(O)CCCN(C(=O)c2ncccc2[O-])C1 ZINC000389067901 328609849 /nfs/dbraw/zinc/60/98/49/328609849.db2.gz VNMJJJKFNLBBOK-GFCCVEGCSA-N -1 1 265.269 -0.760 10 0 CBAEMM CC(C)[C@@H](CN(C)C)NS(=O)(=O)[C@H](C)C(=O)[O-] ZINC000049200530 519793821 /nfs/dbraw/zinc/79/38/21/519793821.db2.gz NYKALRCXIANBTH-RKDXNWHRSA-N -1 1 266.363 -0.035 10 0 CBAEMM COCC[C@@H](NC(=O)N[C@H](C)c1nn[nH]n1)C(=O)[O-] ZINC000052788110 521845998 /nfs/dbraw/zinc/84/59/98/521845998.db2.gz RQIBFAXDERGRIB-PHDIDXHHSA-N -1 1 272.265 -0.950 10 0 CBAEMM NC(=S)[C@H](C(=O)NCc1nn[n-]n1)c1ccccc1 ZINC000061616692 527112169 /nfs/dbraw/zinc/11/21/69/527112169.db2.gz HMOSUTHWLJMPQM-SECBINFHSA-N -1 1 276.325 -0.114 10 0 CBAEMM CCC[C@@H](N[C@H](C)C(=O)N(C)CC(=O)NC1CC1)C(=O)[O-] ZINC000262294193 656130662 /nfs/dbraw/zinc/13/06/62/656130662.db2.gz OJNIKFQXUIABDU-MWLCHTKSSA-N -1 1 299.371 -0.045 10 0 CBAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCOC[C@H]2O)c1Cl ZINC000707055184 656188618 /nfs/dbraw/zinc/18/86/18/656188618.db2.gz DHETVJZFLKTAAL-NKWVEPMBSA-N -1 1 295.748 -0.498 10 0 CBAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2O)c1Cl ZINC000707055182 656188900 /nfs/dbraw/zinc/18/89/00/656188900.db2.gz DHETVJZFLKTAAL-BQBZGAKWSA-N -1 1 295.748 -0.498 10 0 CBAEMM C[C@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000003913402 351315617 /nfs/dbraw/zinc/31/56/17/351315617.db2.gz IQHUITKNHOKGFC-LSJOCFKGSA-N -1 1 266.297 -0.493 10 0 endogenous,in-man CBAEMM CCn1c2nc(N)nc(C)c2cc(-c2nn[n-]n2)c1=O ZINC000035309503 351387667 /nfs/dbraw/zinc/38/76/67/351387667.db2.gz DMRXBVGEQSWGNY-UHFFFAOYSA-N -1 1 272.272 -0.118 10 0 CBAEMM CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[n-]c1=S ZINC000059910248 351564363 /nfs/dbraw/zinc/56/43/63/351564363.db2.gz RFMOGKGPQDPXQS-FDDDBJFASA-N -1 1 288.325 -0.520 10 0 CBAEMM CCC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)OC)c1nn[n-]n1 ZINC000246071066 352327324 /nfs/dbraw/zinc/32/73/24/352327324.db2.gz DCLOGDWFOBKMEC-PRJMDXOYSA-N -1 1 267.289 -0.034 10 0 CBAEMM NC(=O)[C@]1(O)CCCN(C(=O)c2ncccc2[O-])C1 ZINC000389067902 353790541 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278.312 -0.282 10 0 CBAEMM O=C([O-])[C@H]1Cc2nc[nH]c2CN1C(=O)N1CCOCC1 ZINC000092778220 544440571 /nfs/dbraw/zinc/44/05/71/544440571.db2.gz BAFOMKPWOLCRRF-SNVBAGLBSA-N -1 1 280.284 -0.327 10 0 CBAEMM O=C([C@@H]1CNC(=O)C1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000677925937 545009097 /nfs/dbraw/zinc/00/90/97/545009097.db2.gz IRGCQCDHFNRXTI-YUMQZZPRSA-N -1 1 264.289 -0.958 10 0 CBAEMM C[C@H](NC(=O)CN)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000001576186 299049689 /nfs/dbraw/zinc/04/96/89/299049689.db2.gz MZZSCEANQDPJER-GXSJLCMTSA-N -1 1 293.323 -0.738 10 0 CBAEMM CSCC[C@H](NC(=O)[C@H](N)[C@@H](C)O)C(=O)[O-] ZINC000033949574 571747737 /nfs/dbraw/zinc/74/77/37/571747737.db2.gz APIDTRXFGYOLLH-DSYKOEDSSA-N -1 1 250.320 -0.983 10 0 endogenous,in-man CBAEMM CCN1CCC(N2CC[C@H](C(=O)[O-])S2(=O)=O)CC1 ZINC000757138644 582305129 /nfs/dbraw/zinc/30/51/29/582305129.db2.gz DATRPXBBYKODRN-SNVBAGLBSA-N -1 1 276.358 -0.041 10 0 CBAEMM Cn1ccnc1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071788 584430407 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