smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000192973177 1197249083 /nfs/dbraw/zinc/24/90/83/1197249083.db2.gz NCBRBBACFICLPC-GOSISDBHSA-N 1 0 388.512 0.940 10 10 GCCERO COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000768717829 1202028731 /nfs/dbraw/zinc/02/87/31/1202028731.db2.gz CXAZNYFGCWJZKR-GFCCVEGCSA-N 1 0 375.429 0.975 10 10 GCCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000192973164 1197249119 /nfs/dbraw/zinc/24/91/19/1197249119.db2.gz NCBRBBACFICLPC-SFHVURJKSA-N 1 0 388.512 0.940 10 10 GCCERO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000785294147 1192177512 /nfs/dbraw/zinc/17/75/12/1192177512.db2.gz LIZSUXKCKHRHIV-LBPRGKRZSA-N 1 0 375.429 0.542 10 10 GCCERO COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000768717856 1202028421 /nfs/dbraw/zinc/02/84/21/1202028421.db2.gz CXAZNYFGCWJZKR-LBPRGKRZSA-N 1 0 375.429 0.975 10 10 GCCERO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000789800291 1205448127 /nfs/dbraw/zinc/44/81/27/1205448127.db2.gz SRYMBJKZMRLMJZ-UHFFFAOYSA-N 1 0 380.464 0.689 10 10 GCCERO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000785294145 1192177458 /nfs/dbraw/zinc/17/74/58/1192177458.db2.gz LIZSUXKCKHRHIV-GFCCVEGCSA-N 1 0 375.429 0.542 10 10 GCCERO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000789835164 1205448895 /nfs/dbraw/zinc/44/88/95/1205448895.db2.gz PCQYRECELNQGMZ-UHFFFAOYSA-N 1 0 394.491 0.813 10 10 GCCERO