smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ccnc1NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185541950 1206482283 /nfs/dbraw/zinc/48/22/83/1206482283.db2.gz NDQFICZSEJQJMU-ZCFIWIBFSA-N -2 2 371.305 0.952 20 10 FCCDLL Cn1ccc(NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)n1 ZINC001185541947 1206482319 /nfs/dbraw/zinc/48/23/19/1206482319.db2.gz NDLYXLFXRZUKFI-LURJTMIESA-N -2 2 371.305 0.952 20 10 FCCDLL O=C(Nc1c[nH]cn1)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542121 1206482432 /nfs/dbraw/zinc/48/24/32/1206482432.db2.gz PGJXPNSTWBHYRV-RXMQYKEDSA-N -2 2 357.278 0.942 20 10 FCCDLL Cc1nonc1NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542105 1206482257 /nfs/dbraw/zinc/48/22/57/1206482257.db2.gz OUPPMYFMGCUWGG-RXMQYKEDSA-N -2 2 373.277 0.910 20 10 FCCDLL Cn1cncc1NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185541910 1206482426 /nfs/dbraw/zinc/48/24/26/1206482426.db2.gz MKVCBTXICJUXGC-LURJTMIESA-N -2 2 371.305 0.952 20 10 FCCDLL Cn1nncc1NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542349 1206482240 /nfs/dbraw/zinc/48/22/40/1206482240.db2.gz RDCRHTVCVLXFRG-RXMQYKEDSA-N -2 2 372.293 0.347 20 10 FCCDLL Cn1ccc(NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)n1 ZINC001185541948 1206482351 /nfs/dbraw/zinc/48/23/51/1206482351.db2.gz NDLYXLFXRZUKFI-ZCFIWIBFSA-N -2 2 371.305 0.952 20 10 FCCDLL Cc1nonc1NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542114 1206482381 /nfs/dbraw/zinc/48/23/81/1206482381.db2.gz OUPPMYFMGCUWGG-YFKPBYRVSA-N -2 2 373.277 0.910 20 10 FCCDLL Cn1ccnc1NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185541949 1206482250 /nfs/dbraw/zinc/48/22/50/1206482250.db2.gz NDQFICZSEJQJMU-LURJTMIESA-N -2 2 371.305 0.952 20 10 FCCDLL O=C(Nc1nnco1)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542089 1206482345 /nfs/dbraw/zinc/48/23/45/1206482345.db2.gz OPBYQEATJZTRFS-SCSAIBSYSA-N -2 2 359.250 0.602 20 10 FCCDLL O=C(Nc1c[nH]cn1)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542122 1206482363 /nfs/dbraw/zinc/48/23/63/1206482363.db2.gz PGJXPNSTWBHYRV-YFKPBYRVSA-N -2 2 357.278 0.942 20 10 FCCDLL Cn1nncc1NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542350 1206482212 /nfs/dbraw/zinc/48/22/12/1206482212.db2.gz RDCRHTVCVLXFRG-YFKPBYRVSA-N -2 2 372.293 0.347 20 10 FCCDLL Cn1cncc1NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185541911 1206482314 /nfs/dbraw/zinc/48/23/14/1206482314.db2.gz MKVCBTXICJUXGC-ZCFIWIBFSA-N -2 2 371.305 0.952 20 10 FCCDLL O=C(Nc1nnco1)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC001185542087 1206482418 /nfs/dbraw/zinc/48/24/18/1206482418.db2.gz OPBYQEATJZTRFS-BYPYZUCNSA-N -2 2 359.250 0.602 20 10 FCCDLL