smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CSC(=O)N1C1CN(S(=O)(=O)CCc2ccccc2)C1 ZINC000217748942 241272425 /nfs/dbraw/zinc/27/24/25/241272425.db2.gz PKXNYFAAHCWMGD-UHFFFAOYSA-N 0 0 340.426 0.939 50 70 ECIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)c1[nH]c(=O)nc3ccccc31)C2 ZINC000217735485 241272554 /nfs/dbraw/zinc/27/25/54/241272554.db2.gz WZMAHVGFSMJLNY-JTQLQIEISA-N 0 0 339.355 0.829 50 70 ECIARN Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 ZINC000217779523 241275039 /nfs/dbraw/zinc/27/50/39/241275039.db2.gz DIEHDRABPPOBRS-GFCCVEGCSA-N 0 0 333.396 0.085 50 70 ECIARN COc1ncc(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)nc1OC ZINC000217179542 241239406 /nfs/dbraw/zinc/23/94/06/241239406.db2.gz CZMPDHTYLTVRSZ-JTQLQIEISA-N 0 0 347.375 0.790 50 70 ECIARN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nnc(C)o2)o1 ZINC000217401268 241247857 /nfs/dbraw/zinc/24/78/57/241247857.db2.gz JNMIBMYHTLFFSQ-ZDUSSCGKSA-N 0 0 347.375 0.286 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Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ncc[nH]c2=O)cn1 ZINC000218181291 241303138 /nfs/dbraw/zinc/30/31/38/241303138.db2.gz YYNRRWDWAVMWCH-OLZOCXBDSA-N 0 0 330.344 0.852 50 70 ECIARN Nc1nnc(CCNC(=O)c2ccccc2N2CCOCC2)s1 ZINC000218700147 241338115 /nfs/dbraw/zinc/33/81/15/241338115.db2.gz IBXQCWWMDNHAAV-UHFFFAOYSA-N 0 0 333.417 0.929 50 70 ECIARN Cn1cc(C(=O)NCCCc2nc3ccccc3o2)c(=O)[nH]c1=O ZINC000218707621 241338252 /nfs/dbraw/zinc/33/82/52/241338252.db2.gz SJWRCZCBUIELPI-UHFFFAOYSA-N 0 0 328.328 0.577 50 70 ECIARN O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccn2nnnc2c1 ZINC000218728014 241341333 /nfs/dbraw/zinc/34/13/33/241341333.db2.gz ACPKYQZZAHGRFK-BPLDGKMQSA-N 0 0 338.371 0.631 50 70 ECIARN Cc1n[nH]c(C)c1CCCN(C)C(=O)c1c[nH]nc1-n1cnnn1 ZINC000218777972 241345686 /nfs/dbraw/zinc/34/56/86/241345686.db2.gz OVKDSBHHGOCGIN-UHFFFAOYSA-N 0 0 329.368 0.430 50 70 ECIARN CC(=O)NCCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000218491241 534361995 /nfs/dbraw/zinc/36/19/95/534361995.db2.gz 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CC(C)(O)CCc1cccc(C(=O)NCc2c[nH]c(=O)[nH]c2=O)c1 ZINC000218063366 535294464 /nfs/dbraw/zinc/29/44/64/535294464.db2.gz GTRKCNIBFYFMAR-UHFFFAOYSA-N 0 0 331.372 0.697 50 70 ECIARN CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000217361187 283389583 /nfs/dbraw/zinc/38/95/83/283389583.db2.gz XNWSJABPALCJGA-CABCVRRESA-N 0 0 347.463 0.617 50 70 ECIARN Cc1cccc(S(=O)(=O)NCC(=O)N2CCc3ncncc3C2)c1 ZINC000217626840 241262567 /nfs/dbraw/zinc/26/25/67/241262567.db2.gz QUJGMAGVAYJCLE-UHFFFAOYSA-N 0 0 346.412 0.648 50 70 ECIARN COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1cnccn1 ZINC000217093938 241236428 /nfs/dbraw/zinc/23/64/28/241236428.db2.gz CJQKOBFGYMACEJ-UHFFFAOYSA-N 0 0 336.373 0.105 50 70 ECIARN Cc1cc(=O)[nH]c(CCNC(=O)c2n[nH]c(=O)c3ccccc32)n1 ZINC000217199703 241240820 /nfs/dbraw/zinc/24/08/20/241240820.db2.gz OEMUBTHIULJXCB-UHFFFAOYSA-N 0 0 325.328 0.287 50 70 ECIARN Cn1cccc1[C@H](O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000217948045 241285364 /nfs/dbraw/zinc/28/53/64/241285364.db2.gz 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