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+](CC)(CC)CCCCCc1ccc([N+](CC)(CC)CC)cc1 ZINC000005688340 717100987 /nfs/dbraw/zinc/10/09/87/717100987.db2.gz NVUCKKUQKSASBU-UHFFFAOYSA-N 2 0 348.619 5.643 10 5 EKBERP C[N+]1(CCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1 ZINC000013679890 717109215 /nfs/dbraw/zinc/10/92/15/717109215.db2.gz NKXQMWYFXAHFAC-UHFFFAOYSA-N 2 0 338.624 5.368 10 5 EKBERP C[N+]1(CCCCCCCCCC[N+]2(C)CCCCC2)CCCCC1 ZINC000033852366 717122049 /nfs/dbraw/zinc/12/20/49/717122049.db2.gz FVRLPRFLAPVBSW-UHFFFAOYSA-N 2 0 338.624 5.368 10 5 EKBERP C[N+]1(CC[NH+](CC2CCCCC2)CC2CCCCC2)CCCCC1 ZINC000033878763 717123124 /nfs/dbraw/zinc/12/31/24/717123124.db2.gz UUULKOZLPGKLJV-UHFFFAOYSA-N 2 0 335.600 5.080 10 5 EKBERP C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CC2)CC1 ZINC000205143749 717159310 /nfs/dbraw/zinc/15/93/10/717159310.db2.gz SSFFASMGPNLFHI-UHFFFAOYSA-N 2 0 338.624 5.368 10 5 EKBERP