smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC1CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000160920526 384446512 /nfs/dbraw/zinc/44/65/12/384446512.db2.gz JCICESVCNPQNCK-JTQLQIEISA-N 0 0 249.318 0.644 10 70 BCIERN NN[C@H](c1cnns1)C1=COCCC1 ZINC000160916838 387082578 /nfs/dbraw/zinc/08/25/78/387082578.db2.gz ZFCJRZCGBHIKAB-QMMMGPOBSA-N 0 0 212.278 0.737 10 70 BCIERN CCOC(OCC)[SiH2]CCCOC[C@H]1CO1 ZINC000575444407 387431957 /nfs/dbraw/zinc/43/19/57/387431957.db2.gz JAPXJEHHGIVARY-JTQLQIEISA-N 0 0 248.395 0.736 10 70 BCIERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCOC1 ZINC000160695361 133509676 /nfs/dbraw/zinc/50/96/76/133509676.db2.gz JZSIVSGOTZSUIM-YIZRAAEISA-N 0 0 214.265 0.252 10 70 BCIERN COC[C@H](C)C(=O)N[C@H](CO)CC(C)C ZINC000160647384 323074423 /nfs/dbraw/zinc/07/44/23/323074423.db2.gz ROJDMKQFYPLTEG-UWVGGRQHSA-N 0 0 217.309 0.792 10 70 BCIERN Cc1c(CNC(=O)N[C@H]2C[C@H]2C)cnn1C ZINC000160984905 538913572 /nfs/dbraw/zinc/91/35/72/538913572.db2.gz KVZVPTDTQAYDSB-XCBNKYQSSA-N 0 0 222.292 0.936 10 70 BCIERN COC[C@@H](C)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000161347595 349427103 /nfs/dbraw/zinc/42/71/03/349427103.db2.gz ORRDPIDACDKINT-MWLCHTKSSA-N 0 0 227.304 0.906 10 70 BCIERN CCn1nccc1C(=O)c1csnn1 ZINC000160076062 353131078 /nfs/dbraw/zinc/13/10/78/353131078.db2.gz YFYWBZNAIDMIMZ-UHFFFAOYSA-N 0 0 208.246 0.986 10 70 BCIERN NC(=O)c1cc(=O)cc(C(F)(F)F)o1 ZINC000217011690 181287979 /nfs/dbraw/zinc/28/79/79/181287979.db2.gz ZPYVIYQMDDJNPV-UHFFFAOYSA-N 0 0 207.107 0.758 10 70 BCIERN c1ccc([SiH2]S[SiH2]c2ccccc2)cc1 ZINC000584615020 358279650 /nfs/dbraw/zinc/27/96/50/358279650.db2.gz OQDCGCBCCNBRAV-UHFFFAOYSA-N 0 0 246.483 0.538 10 70 BCIERN COC(C)(C)C[C@]1(C)OC(N)=NC1=O ZINC000160745983 358421478 /nfs/dbraw/zinc/42/14/78/358421478.db2.gz TURKWELATXJIJW-VIFPVBQESA-N 0 0 200.238 0.432 10 70 BCIERN CCCNS(=O)(=O)N1CCCC[C@H]1C(C)=O ZINC000160600197 361663883 /nfs/dbraw/zinc/66/38/83/361663883.db2.gz 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COC[C@H](C)C(=O)NCCSCCCO ZINC000161469524 385085466 /nfs/dbraw/zinc/08/54/66/385085466.db2.gz IMVLQFPMRROONI-VIFPVBQESA-N 0 0 235.349 0.501 10 70 BCIERN CCOC(OCC)[SiH2]CCCOC[C@@H]1CO1 ZINC000575444408 387431617 /nfs/dbraw/zinc/43/16/17/387431617.db2.gz JAPXJEHHGIVARY-SNVBAGLBSA-N 0 0 248.395 0.736 10 70 BCIERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](O)C2)O1 ZINC000217535181 134248372 /nfs/dbraw/zinc/24/83/72/134248372.db2.gz PPCJWTQAORIUIL-OPRDCNLKSA-N 0 0 213.277 0.537 10 70 BCIERN Cc1nnc(NCCn2ccnn2)s1 ZINC000159621796 134784237 /nfs/dbraw/zinc/78/42/37/134784237.db2.gz JEUIISIUAOTFNC-UHFFFAOYSA-N 0 0 210.266 0.550 10 70 BCIERN CCN(CCCO)C(=O)[C@@H]1OCC[C@@H]1C ZINC000160295712 397754933 /nfs/dbraw/zinc/75/49/33/397754933.db2.gz SVNGOUPXONLPHG-VHSXEESVSA-N 0 0 215.293 0.642 10 70 BCIERN CC1(NC(=O)N[C@H]2CCc3ncnn3C2)CCC1 ZINC000161403125 168058759 /nfs/dbraw/zinc/05/87/59/168058759.db2.gz ILZOVALUDBFTTE-VIFPVBQESA-N 0 0 249.318 0.835 10 70 BCIERN CC1=CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 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