smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2CCO[C@@H](C)C2)cc1 ZINC001229671732 1033630490 /nfs/dbraw/zinc/63/04/90/1033630490.db2.gz MATHPRDOCBSXBJ-LRDDRELGSA-N -2 2 398.411 3.826 20 0 GHADLL CCOC[C@@H](C)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(OC)cc1 ZINC001229670304 1033631041 /nfs/dbraw/zinc/63/10/41/1033631041.db2.gz ANWPWFIEKMXIKH-GFCCVEGCSA-N -2 2 386.400 3.684 20 0 GHADLL O=C(Nc1ccc(Cl)cc1O)c1cccc(I)c1O ZINC001295972870 1045203164 /nfs/dbraw/zinc/20/31/64/1045203164.db2.gz VCNCILNPFFAHSI-UHFFFAOYSA-N -2 2 389.576 3.608 20 0 GHADLL O=C(Nc1ccc(O)c(Cl)c1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000182876601 863388714 /nfs/dbraw/zinc/38/87/14/863388714.db2.gz LBOVOFUYQSRXDJ-UHFFFAOYSA-N -2 2 393.624 3.902 20 0 GHADLL COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2C[C@H]3C[C@H]3C2)ccc1O ZINC001229795186 1033721136 /nfs/dbraw/zinc/72/11/36/1033721136.db2.gz GJVPUKLRTAYSEE-DABQJJPHSA-N -2 2 396.395 3.763 20 0 GHADLL CC(=O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)CC(C)C)c1O ZINC001259887295 1045328520 /nfs/dbraw/zinc/32/85/20/1045328520.db2.gz VHABRWRUWGXAPK-UHFFFAOYSA-N -2 2 377.462 3.572 20 0 GHADLL CC[C@@H](COc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(OC)cc1)OC ZINC001229670341 1033630978 /nfs/dbraw/zinc/63/09/78/1033630978.db2.gz BJKCPKDKUBNLSG-AWEZNQCLSA-N -2 2 386.400 3.684 20 0 GHADLL COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC[C@H]2CCC=CO2)cc1 ZINC001229669641 1033630874 /nfs/dbraw/zinc/63/08/74/1033630874.db2.gz UQYCCMZDBCXZEB-MRXNPFEDSA-N -2 2 396.395 3.951 20 0 GHADLL COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC[C@@H]2CCO[C@@H]2C)cc1 ZINC001229669921 1033630119 /nfs/dbraw/zinc/63/01/19/1033630119.db2.gz WZMFTXZHZDWQGT-OCCSQVGLSA-N -2 2 398.411 3.684 20 0 GHADLL CCOC[C@H](C)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(OC)cc1 ZINC001229670305 1033630602 /nfs/dbraw/zinc/63/06/02/1033630602.db2.gz ANWPWFIEKMXIKH-LBPRGKRZSA-N -2 2 386.400 3.684 20 0 GHADLL O=P([O-])(O)CCCCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001225018597 1031214258 /nfs/dbraw/zinc/21/42/58/1031214258.db2.gz BRAMJWZUFFBRSU-ZDUSSCGKSA-N -2 2 382.224 3.542 20 0 GHADLL O=S(=O)(Nc1nc2c(cccc2O)s1)c1cnc(Cl)c(Cl)c1 ZINC001188034591 915725277 /nfs/dbraw/zinc/72/52/77/915725277.db2.gz OZLGVDRLHHPDES-UHFFFAOYSA-N -2 2 376.246 3.505 20 0 GHADLL COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC[C@@H]2CC[C@H](C)O2)cc1 ZINC001229669913 1033630241 /nfs/dbraw/zinc/63/02/41/1033630241.db2.gz WNVWTDZPYOVUQB-LRDDRELGSA-N -2 2 398.411 3.826 20 0 GHADLL Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2C(=O)[O-])sc1C(=O)[O-] ZINC000511721520 840569017 /nfs/dbraw/zinc/56/90/17/840569017.db2.gz HRLQYDXVRCBSEQ-UHFFFAOYSA-N -2 2 397.474 3.551 20 0 GHADLL O=P([O-])(O)CCCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001225018596 1031213538 /nfs/dbraw/zinc/21/35/38/1031213538.db2.gz BRAMJWZUFFBRSU-CYBMUJFWSA-N -2 2 382.224 3.542 20 0 GHADLL CC[C@H](COc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(OC)cc1)OC ZINC001229670342 1033630687 /nfs/dbraw/zinc/63/06/87/1033630687.db2.gz BJKCPKDKUBNLSG-CQSZACIVSA-N -2 2 386.400 3.684 20 0 GHADLL COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001229671729 1033630780 /nfs/dbraw/zinc/63/07/80/1033630780.db2.gz MATHPRDOCBSXBJ-BLLLJJGKSA-N -2 2 398.411 3.826 20 0 GHADLL COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC[C@@H]2CCC=CO2)cc1 ZINC001229669622 1033630721 /nfs/dbraw/zinc/63/07/21/1033630721.db2.gz UQYCCMZDBCXZEB-INIZCTEOSA-N -2 2 396.395 3.951 20 0 GHADLL O=S(=O)(Nc1cc(O)cc(F)c1)c1cc(Br)sc1Cl ZINC000504304090 850007053 /nfs/dbraw/zinc/00/70/53/850007053.db2.gz MAHYUQUPHPGCHY-UHFFFAOYSA-N -2 2 386.651 3.810 20 0 GHADLL O=C(NNC(=O)c1cc(Cl)ccc1O)c1sc2ccccc2c1Cl ZINC000010624002 855058271 /nfs/dbraw/zinc/05/82/71/855058271.db2.gz XMNJKPJNJKOOJI-UHFFFAOYSA-N -2 2 381.240 3.989 20 0 GHADLL CC(=O)Nc1ccc(O)c(C(=O)Nc2cc(Cl)cc(Br)c2O)c1 ZINC000530895642 878701227 /nfs/dbraw/zinc/70/12/27/878701227.db2.gz OBLPVOONIDVAFS-UHFFFAOYSA-N -2 2 399.628 3.724 20 0 GHADLL COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196436465 873085926 /nfs/dbraw/zinc/08/59/26/873085926.db2.gz LQWQURPFWWQJEI-UHFFFAOYSA-N -2 2 391.832 3.786 20 0 GHADLL