smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(Nc1cc[nH+]cc1)=[NH+]c1ccncc1 5595677 166046092 /nfs/dbraw/zinc/04/60/92/166046092.db2.gz UQRQDPRDRYGJBO-UHFFFAOYSA-N 2 2 198.229 2.249 40 30 AEEBLP C=CC[NH+](CC=C)C[C@H]([NH3+])[C@@H](C)CC 20071265 166175847 /nfs/dbraw/zinc/17/58/47/166175847.db2.gz URHPXJCBQKMYLA-RYUDHWBXSA-N 2 2 196.338 2.034 40 30 AEEBLP C=CC[NH+](CC=C)C[C@H]([NH3+])CC(C)C 20071240 166176070 /nfs/dbraw/zinc/17/60/70/166176070.db2.gz CQRYDOWCLNZNCR-GFCCVEGCSA-N 2 2 196.338 2.034 40 30 AEEBLP C=CC[NH+](CC=C)C[C@@H]([NH3+])CC(C)C 20071242 166176954 /nfs/dbraw/zinc/17/69/54/166176954.db2.gz CQRYDOWCLNZNCR-LBPRGKRZSA-N 2 2 196.338 2.034 40 30 AEEBLP C=CC[NH+](CC=C)C[C@H]([NH3+])[C@H](C)CC 20071261 166177525 /nfs/dbraw/zinc/17/75/25/166177525.db2.gz URHPXJCBQKMYLA-NEPJUHHUSA-N 2 2 196.338 2.034 40 30 AEEBLP C=CC[NH+](CC=C)C[C@@H]([NH3+])[C@@H](C)CC 20071270 166177624 /nfs/dbraw/zinc/17/76/24/166177624.db2.gz URHPXJCBQKMYLA-NWDGAFQWSA-N 2 2 196.338 2.034 40 30 AEEBLP C=CC[NH+](CC=C)C[C@@H]([NH3+])[C@H](C)CC 96319833 166177754 /nfs/dbraw/zinc/17/77/54/166177754.db2.gz URHPXJCBQKMYLA-VXGBXAGGSA-N 2 2 196.338 2.034 40 30 AEEBLP