smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(C(=O)C=C(N)N)CC1 217751631 167209743 /nfs/dbraw/zinc/20/97/43/167209743.db2.gz SLLRSVLLYWWLNM-UHFFFAOYSA-N 1 0 198.270 -0.523 40 70 ABIBRO C[C@@]12CCC[N@@H+]1CCNC2=O 217948457 344408521 /nfs/dbraw/zinc/40/85/21/344408521.db2.gz OGVXKWGEFRNFLD-QMMMGPOBSA-N 1 0 154.213 -0.029 40 70 ABIBRO CN(C)C(/C=C\[SiH3])N(C)C 204928541 344370122 /nfs/dbraw/zinc/37/01/22/344370122.db2.gz BXCKRTFSZSXWRM-WAYWQWQTSA-N 1 0 158.321 -0.685 40 70 ABIBRO C[C@]12CCC[N@@H+]1CCNC2=O 217948528 344408505 /nfs/dbraw/zinc/40/85/05/344408505.db2.gz OGVXKWGEFRNFLD-MRVPVSSYSA-N 1 0 154.213 -0.029 40 70 ABIBRO Cc1cc(=O)[nH]c(=O)n1CC[NH+](C)C 218294114 344411143 /nfs/dbraw/zinc/41/11/43/344411143.db2.gz RWYAFUWBOBFSDA-UHFFFAOYSA-N 1 0 197.238 -0.593 40 70 ABIBRO