smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1=C(COc2ccccc2)CC1 217792700 166071546 /nfs/dbraw/zinc/07/15/46/166071546.db2.gz ZSICDAYZHWQNPK-UHFFFAOYSA-N 0 0 160.216 2.786 40 70 AFIBRN C=CC[SiH](CC=C)CC=C 195803289 166206811 /nfs/dbraw/zinc/20/68/11/166206811.db2.gz HKILWKSIMZSWQX-UHFFFAOYSA-N 0 0 152.313 2.772 40 70 AFIBRN FC(F)(F)[C@H]1CC[C@@H]2CCO[C@@H]2C1 217652177 169073080 /nfs/dbraw/zinc/07/30/80/169073080.db2.gz KGYQVWICQSMRJJ-GJMOJQLCSA-N 0 0 194.196 2.754 40 70 AFIBRN FC(F)(F)[C@H]1CC[C@H]2CCO[C@@H]2C1 217652331 169073107 /nfs/dbraw/zinc/07/31/07/169073107.db2.gz KGYQVWICQSMRJJ-BIIVOSGPSA-N 0 0 194.196 2.754 40 70 AFIBRN Fc1cccc(Cc2ccc[nH]2)c1 217657819 169086264 /nfs/dbraw/zinc/08/62/64/169086264.db2.gz KQHKTWXDTMXSMF-UHFFFAOYSA-N 0 0 175.206 2.745 40 70 AFIBRN Fc1nc2c(s1)CCCCC2 217717364 169090137 /nfs/dbraw/zinc/09/01/37/169090137.db2.gz DCSXZGJKVXQFEK-UHFFFAOYSA-N 0 0 171.240 2.551 40 70 AFIBRN Fc1nc2c(s1)CCCCCC2 217717752 169090225 /nfs/dbraw/zinc/09/02/25/169090225.db2.gz XEWRLQUEOMGPPS-UHFFFAOYSA-N 0 0 185.267 2.941 40 70 AFIBRN C[SiH2]C12CC3CC(CC(C3)C1)C2 169993503 171165847 /nfs/dbraw/zinc/16/58/47/171165847.db2.gz AESDPSCOOXPMHW-UHFFFAOYSA-N 0 0 180.367 2.592 40 70 AFIBRN FC(F)(F)[C@@H]1CC[C@H]2CCO[C@@H]2C1 217652248 171181481 /nfs/dbraw/zinc/18/14/81/171181481.db2.gz KGYQVWICQSMRJJ-XLPZGREQSA-N 0 0 194.196 2.754 40 70 AFIBRN FC(F)(F)[C@@H]1CC[C@@H]2CCO[C@@H]2C1 217652083 171181686 /nfs/dbraw/zinc/18/16/86/171181686.db2.gz KGYQVWICQSMRJJ-BWZBUEFSSA-N 0 0 194.196 2.754 40 70 AFIBRN CC[SiH](CC)C(C)C 195794785 171199900 /nfs/dbraw/zinc/19/99/00/171199900.db2.gz OAQARESYTGJQSI-UHFFFAOYSA-N 0 0 130.307 2.663 40 70 AFIBRN Fc1cnc(NCC2CCC2)c(F)c1 160370986 344163833 /nfs/dbraw/zinc/16/38/33/344163833.db2.gz CITLXPFPPKSBJP-UHFFFAOYSA-N 0 0 198.216 2.572 40 70 AFIBRN CCCCNc1ncc(F)cc1F 160369851 344163930 /nfs/dbraw/zinc/16/39/30/344163930.db2.gz ROMIPTRSIQCIBP-UHFFFAOYSA-N 0 0 186.205 2.572 40 70 AFIBRN Fc1cnc(NC2CCCC2)c(F)c1 160368611 344164089 /nfs/dbraw/zinc/16/40/89/344164089.db2.gz KUIMVNYUMLOVLO-UHFFFAOYSA-N 0 0 198.216 2.714 40 70 AFIBRN CC(C)CC(=S)OC(C)C 216887312 344399812 /nfs/dbraw/zinc/39/98/12/344399812.db2.gz VKZPBOCVMCIXBL-UHFFFAOYSA-N 0 0 160.282 2.785 40 70 AFIBRN Cc1cccn1C(C)(C)C 217480859 344401980 /nfs/dbraw/zinc/40/19/80/344401980.db2.gz QPPTZOUZQMBORR-UHFFFAOYSA-N 0 0 137.226 2.552 40 70 AFIBRN Cc1ccoc1C(F)F 217645102 344404279 /nfs/dbraw/zinc/40/42/79/344404279.db2.gz HYOGDRMUXHBGFE-UHFFFAOYSA-N 0 0 132.109 2.526 40 70 AFIBRN Cc1cccc(Cc2ccc[nH]2)c1 217657716 344404648 /nfs/dbraw/zinc/40/46/48/344404648.db2.gz MNHCFEVTCQXEIU-UHFFFAOYSA-N 0 0 171.243 2.914 40 70 AFIBRN Cc1cc(C)c(C(=O)OC(C)C)s1 218310642 344411403 /nfs/dbraw/zinc/41/14/03/344411403.db2.gz RKJVCTHYPQFQNS-UHFFFAOYSA-N 0 0 198.287 2.930 40 70 AFIBRN