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+]1(C)C[C@H]2CC[C@@](C)(C1)C2(C)C 3644938 167712330 /nfs/dbraw/zinc/71/23/30/167712330.db2.gz ZCBWZIDLZUDXMT-LXKBMQFRSA-N 1 0 196.358 2.909 1 5 AFBFRO C[N+]1(C)CC=C(c2ccccc2)CC1 13470087 171027447 /nfs/dbraw/zinc/02/74/47/171027447.db2.gz BIRPVRWNEXULPY-UHFFFAOYSA-N 1 0 188.294 2.550 1 5 AFBFRO CC1(C)[C@@H]2CC[C@@]1(C)C[N+](C)(C)C2 2040152 717094276 /nfs/dbraw/zinc/09/42/76/717094276.db2.gz AMTHKVRAVJJVJT-PWSUYJOCSA-N 1 0 182.331 2.519 1 5 AFBFRO CCCC[N+](C)(C)CC1=CCC=C1 100441108 717143307 /nfs/dbraw/zinc/14/33/07/717143307.db2.gz PRMNQDVVZLEDKP-UHFFFAOYSA-N 1 0 179.307 2.782 1 5 AFBFRO CC[N+]1(C)C[C@@H]2CC[C@](C)(C1)C2(C)C 169692248 717157198 /nfs/dbraw/zinc/15/71/98/717157198.db2.gz ZCBWZIDLZUDXMT-MKDGSZCOSA-N 1 0 196.358 2.909 1 5 AFBFRO