smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1c2[nH]c3ccc([O-])cc3c2cc2[nH]c3ccc(O)cc3c21 ZINC000077291732 563816553 /nfs/dbraw/zinc/81/65/53/563816553.db2.gz ASRXEXWTTPEQEV-UHFFFAOYSA-N -1 3 316.316 4.179 40 5 in-vitro DIBBHM CSc1ccccc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000008169654 563947001 /nfs/dbraw/zinc/94/70/01/563947001.db2.gz JTJRBBFSLBWHLI-UHFFFAOYSA-N -1 3 322.773 4.222 40 5 DIBBHM O=c1oc2cc3ccccc3cc2cc1-c1nc2ccccc2[n-]1 ZINC000005532855 181254314 /nfs/dbraw/zinc/25/43/14/181254314.db2.gz XWSBVLKVVRVLJC-UHFFFAOYSA-N -1 3 312.328 4.490 40 5 DIBBHM O=Cc1c2[nH]c3ccc([O-])cc3c2cc2[nH]c3ccccc3c21 ZINC000077291765 563816572 /nfs/dbraw/zinc/81/65/72/563816572.db2.gz HGKLUBYTXRQWNO-UHFFFAOYSA-N -1 3 300.317 4.474 40 5 in-vitro DIBBHM CC(C)c1c(=O)c2c(cccc2[N+](=O)[O-])[n-]c1-c1ccccc1 ZINC000685937919 563927016 /nfs/dbraw/zinc/92/70/16/563927016.db2.gz AZARFCOJQQCNHU-UHFFFAOYSA-N -1 3 308.337 4.227 40 5 DIBBHM O=c1[n-]c(=O)c2ccc3c4cccc5cccc(c6ccc1c2c63)c54 ZINC000036415879 563455479 /nfs/dbraw/zinc/45/54/79/563455479.db2.gz LBOJSACZVLWUHN-UHFFFAOYSA-N -1 3 321.335 4.377 40 5 DIBBHM CCCCCCC(=O)Sc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC000006160050 181317068 /nfs/dbraw/zinc/31/70/68/181317068.db2.gz CLHGWMQTHUTSQG-UHFFFAOYSA-N -1 3 307.375 4.060 40 5 DIBBHM CCCCCCC(=O)Sc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC000006160050 181317070 /nfs/dbraw/zinc/31/70/70/181317070.db2.gz CLHGWMQTHUTSQG-UHFFFAOYSA-N -1 3 307.375 4.060 40 5 DIBBHM CN(c1ccccc1)c1cc2nc3ccccc3[n-]c-2cc1=O ZINC000104190232 563563466 /nfs/dbraw/zinc/56/34/66/563563466.db2.gz PDIZCOVXAZERKQ-UHFFFAOYSA-N -1 3 301.349 4.257 40 5 DIBBHM O=Cc1c2[nH]c3ccc([O-])cc3c2cc2[nH]c3c(cccc3O)c21 ZINC000077291734 563816685 /nfs/dbraw/zinc/81/66/85/563816685.db2.gz VVEGFSNSOSMIJB-UHFFFAOYSA-N -1 3 316.316 4.179 40 5 in-vitro DIBBHM