smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCCOc2ccc(N)cc2)c1 ZINC000001701929 570267086 /nfs/dbraw/zinc/26/70/86/570267086.db2.gz NTPROZRRLDVEFJ-UHFFFAOYSA-N 2 1 382.468 2.302 40 10 GECBMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709211 207151298 /nfs/dbraw/zinc/15/12/98/207151298.db2.gz RKRXBZGXUPHRNO-IBGZPJMESA-N 2 1 380.540 2.404 40 10 GECBMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709210 210283084 /nfs/dbraw/zinc/28/30/84/210283084.db2.gz RKRXBZGXUPHRNO-LJQANCHMSA-N 2 1 380.540 2.404 40 10 GECBMP COc1ccc(N2CCC[N@@H+](CC3CC[NH+](CC(=O)N(C)C)CC3)CC2)cc1 ZINC000072338583 222229948 /nfs/dbraw/zinc/22/99/48/222229948.db2.gz FETHWLKCACORFR-UHFFFAOYSA-N 2 1 388.556 2.008 40 10 GECBMP