smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1c2c(cc(Cl)cc2Cl)C(=O)N1[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000071681765 203102153 /nfs/dbraw/zinc/10/21/53/203102153.db2.gz VSLDERBAXASCEW-DTWKUNHWSA-N -2 2 343.122 1.942 10 30 EDEELL N#C[C@@H]1c2c(cc(Cl)cc2Cl)C(=O)N1[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000071681765 203102157 /nfs/dbraw/zinc/10/21/57/203102157.db2.gz VSLDERBAXASCEW-DTWKUNHWSA-N -2 2 343.122 1.942 10 30 EDEELL N#CC1c2c(c(Cl)ccc2Cl)C(=O)N1[C@H](CC(=O)[O-])C(=O)[O-] ZINC000071681565 203102780 /nfs/dbraw/zinc/10/27/80/203102780.db2.gz LHEAWCJEYQXLLW-SFYZADRCSA-N -2 2 343.122 1.942 10 30 EDEELL N#C[C@H]1c2c(c(Cl)ccc2Cl)C(=O)N1[C@H](CC(=O)[O-])C(=O)[O-] ZINC000071681565 203102783 /nfs/dbraw/zinc/10/27/83/203102783.db2.gz LHEAWCJEYQXLLW-SFYZADRCSA-N -2 2 343.122 1.942 10 30 EDEELL N#CC1c2cc(F)c(F)c(F)c2C(=O)N1[C@H](CC(=O)[O-])C(=O)[O-] ZINC000071680146 215793722 /nfs/dbraw/zinc/79/37/22/215793722.db2.gz OWQGBZZLCGXXIH-RNFRBKRXSA-N -2 2 328.202 1.052 10 30 EDEELL N#CC1c2cc(F)c(F)c(F)c2C(=O)N1[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000071680145 203102310 /nfs/dbraw/zinc/10/23/10/203102310.db2.gz OWQGBZZLCGXXIH-BQBZGAKWSA-N -2 2 328.202 1.052 10 30 EDEELL N#CC1c2c(cc(Cl)cc2Cl)C(=O)N1[C@H](CC(=O)[O-])C(=O)[O-] ZINC000071681768 203102398 /nfs/dbraw/zinc/10/23/98/203102398.db2.gz VSLDERBAXASCEW-RKDXNWHRSA-N -2 2 343.122 1.942 10 30 EDEELL N#C[C@@H]1c2c(cc(Cl)cc2Cl)C(=O)N1[C@H](CC(=O)[O-])C(=O)[O-] ZINC000071681768 203102401 /nfs/dbraw/zinc/10/24/01/203102401.db2.gz VSLDERBAXASCEW-RKDXNWHRSA-N -2 2 343.122 1.942 10 30 EDEELL N#CC1c2c(cc(Cl)cc2Cl)C(=O)N1[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000071681767 203102010 /nfs/dbraw/zinc/10/20/10/203102010.db2.gz VSLDERBAXASCEW-IUCAKERBSA-N -2 2 343.122 1.942 10 30 EDEELL N#C[C@H]1c2c(cc(Cl)cc2Cl)C(=O)N1[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000071681767 203102014 /nfs/dbraw/zinc/10/20/14/203102014.db2.gz VSLDERBAXASCEW-IUCAKERBSA-N -2 2 343.122 1.942 10 30 EDEELL N#CC1c2c(c(Cl)ccc2Cl)C(=O)N1[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000071681563 203102360 /nfs/dbraw/zinc/10/23/60/203102360.db2.gz LHEAWCJEYQXLLW-JGVFFNPUSA-N -2 2 343.122 1.942 10 30 EDEELL N#C[C@@H]1c2c(c(Cl)ccc2Cl)C(=O)N1[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000071681563 203102364 /nfs/dbraw/zinc/10/23/64/203102364.db2.gz LHEAWCJEYQXLLW-JGVFFNPUSA-N -2 2 343.122 1.942 10 30 EDEELL