smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccccc1C[n+]1cccc(C(=O)NN2Cc3ccccc3C2=[NH2+])c1 ZINC000027232476 539802790 /nfs/dbraw/zinc/80/27/90/539802790.db2.gz PVCBMTONICAXFM-UHFFFAOYSA-O 2 0 368.420 2.380 40 30 FEEBRP COc1cc2cccnc2c(NCCCCNC(=[NH2+])NC(=[NH2+])NC(C)C)c1 ZINC000001684796 204017560 /nfs/dbraw/zinc/01/75/60/204017560.db2.gz FFLJUCFYYFSJNR-UHFFFAOYSA-N 2 0 371.489 2.063 40 30 FEEBRP CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3ccc(F)c(C#N)c3)O2)C1 ZINC000306135921 210052985 /nfs/dbraw/zinc/05/29/85/210052985.db2.gz PEKIHRXHPXSDPG-UYAOXDASSA-N 2 0 361.461 2.445 40 30 FEEBRP CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(N=NC3C[NH+]4CCC3CC4)c2)CC1 ZINC000020437028 539675040 /nfs/dbraw/zinc/67/50/40/539675040.db2.gz ASUGNWVAWCGHLQ-UZYVYHOESA-N 2 0 372.473 2.230 40 30 FEEBRP