smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[PH+](CCC)c1ccccc1 ZINC000001606008 167022459 /nfs/dbraw/zinc/02/24/59/167022459.db2.gz OSRKWUXYLYWDOH-UHFFFAOYSA-N 1 2 194.258 3.614 50 0 AHAALO CC[NH+](CC)c1cccc2ccccc21 ZINC000001693413 167177174 /nfs/dbraw/zinc/17/71/74/167177174.db2.gz XLEMRIJDZGESRG-UHFFFAOYSA-N 1 2 199.297 3.686 50 0 AHAALO CCCCc1cccc(CCCC)[nH+]1 ZINC000003107432 342980520 /nfs/dbraw/zinc/98/05/20/342980520.db2.gz RGEOFKQEGVQSBX-UHFFFAOYSA-N 1 2 191.318 3.767 50 0 AHAALO Cc1cccc([NH+](C(C)C)C(C)C)c1 ZINC000057217740 168867512 /nfs/dbraw/zinc/86/75/12/168867512.db2.gz SFTBLNXWRAQUHE-UHFFFAOYSA-N 1 2 191.318 3.618 50 0 AHAALO Cc1ccccc1[NH+](C(C)C)C(C)C ZINC000068677290 171105143 /nfs/dbraw/zinc/10/51/43/171105143.db2.gz KOHUKOHDWGCOAT-UHFFFAOYSA-N 1 2 191.318 3.618 50 0 AHAALO