smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000031047540 259085294 /nfs/dbraw/zinc/08/52/94/259085294.db2.gz PULLJCXOTXYUGE-QGZVFWFLSA-N 0 0 432.484 2.398 20 30 IEEDRN CN(C)C(=O)COCc1noc2c1CN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164659433 719341389 /nfs/dbraw/zinc/34/13/89/719341389.db2.gz CYRBBBIXMPEQAH-UHFFFAOYSA-N 0 0 425.823 2.307 20 30 IEEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(F)(F)c4cnnc(Cl)c4)C3)OCC2=O)cc1 ZINC001164690442 719782271 /nfs/dbraw/zinc/78/22/71/719782271.db2.gz CEBXVQVBLMQWED-IBGZPJMESA-N 0 0 449.845 2.185 20 30 IEEDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1ccnc(Cl)c1C#N ZINC001164704777 719842412 /nfs/dbraw/zinc/84/24/12/719842412.db2.gz SPLBBRAGMUUVIC-SCLBCKFNSA-N 0 0 428.867 2.384 20 30 IEEDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1c(C#N)cnc2cnc(Cl)cc21 ZINC001164700410 719843732 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722093227 /nfs/dbraw/zinc/09/32/27/722093227.db2.gz MIKMVGITIDLLSU-FMKPAKJESA-N 0 0 436.850 2.051 20 30 IEEDRN COC(=O)c1cc(C#N)cnc1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164992307 722186245 /nfs/dbraw/zinc/18/62/45/722186245.db2.gz VTOZYCLSMDAMPC-MOPGFXCFSA-N 0 0 427.530 2.375 20 30 IEEDRN CN1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc(Cl)nc2C#N)CC3)CC1 ZINC001164998195 722231619 /nfs/dbraw/zinc/23/16/19/722231619.db2.gz ZMZHVKYFFARBKT-UHFFFAOYSA-N 0 0 433.894 2.299 20 30 IEEDRN Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@H]2C1 ZINC001165004649 722242180 /nfs/dbraw/zinc/24/21/80/722242180.db2.gz PLBLMVBTWSXJDW-ZBFHGGJFSA-N 0 0 435.862 2.467 20 30 IEEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)c1 ZINC001165003765 722246686 /nfs/dbraw/zinc/24/66/86/722246686.db2.gz LTEDMUYPCFDYCY-GOSISDBHSA-N 0 0 436.850 2.054 20 30 IEEDRN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000008684874 562962286 /nfs/dbraw/zinc/96/22/86/562962286.db2.gz QMOWYONZPQBOTH-HNNXBMFYSA-N 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