smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccc(O)c(O)c2oc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000004832287 206180773 /nfs/dbraw/zinc/18/07/73/206180773.db2.gz UIYMWPJZXGOSCE-UHFFFAOYSA-N 0 2 356.683 4.543 40 10 FJCBLN O=S(=O)(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1 ZINC000033793013 263397144 /nfs/dbraw/zinc/39/71/44/263397144.db2.gz WZPUFGKWFFGKGH-UHFFFAOYSA-N 0 2 366.467 4.764 40 10 FJCBLN CC(=Nc1ncccc1C)c1c(=O)n(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000103920760 570772710 /nfs/dbraw/zinc/77/27/10/570772710.db2.gz FCZYPSYVHYVHEQ-JZJYNLBNSA-N 0 2 368.440 4.527 40 10 FJCBLN CC(=Nc1cccc(C)n1)c1c(=O)n(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000103920307 570772729 /nfs/dbraw/zinc/77/27/29/570772729.db2.gz BIBMUZWTTDCZEU-FXBPSFAMSA-N 0 2 368.440 4.527 40 10 FJCBLN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1C=Nc1ccc(F)cc1F ZINC000408527810 570506881 /nfs/dbraw/zinc/50/68/81/570506881.db2.gz GMSZGEJYFXGNIA-ZROIWOOFSA-N 0 2 361.779 4.645 40 10 FJCBLN COc1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000104290113 570521280 /nfs/dbraw/zinc/52/12/80/570521280.db2.gz WVAAOZMKRUBFAQ-VHXPQNKSSA-N 0 2 358.397 4.913 40 10 FJCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1 ZINC000001201084 132381070 /nfs/dbraw/zinc/38/10/70/132381070.db2.gz XDITWUFHWLJCQZ-XYOKQWHBSA-N 0 2 361.184 4.500 40 10 FJCBLN CCN1C(=O)/C(=C\c2c(Cl)cc(Cl)c(O)c2Cl)SC1=S ZINC000113830630 570825704 /nfs/dbraw/zinc/82/57/04/570825704.db2.gz QHYSJJWAXJFEEG-FPYGCLRLSA-N 0 2 368.694 4.574 40 10 FJCBLN CC(C)CN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC1=S ZINC000409037844 570715170 /nfs/dbraw/zinc/71/51/70/570715170.db2.gz NYGYMTMSUBMUOJ-WZUFQYTHSA-N 0 2 362.303 4.556 40 10 FJCBLN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000013776369 570791081 /nfs/dbraw/zinc/79/10/81/570791081.db2.gz NHZJRACGGVBOLR-UHFFFAOYSA-N 0 2 364.879 4.573 40 10 FJCBLN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccccc1OCC ZINC000112116894 570810404 /nfs/dbraw/zinc/81/04/04/570810404.db2.gz CKCMQJRIGOTMGM-PGMHBOJBSA-N 0 2 363.461 4.974 40 10 FJCBLN CCCc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1OCC ZINC000112116894 570810407 /nfs/dbraw/zinc/81/04/07/570810407.db2.gz CKCMQJRIGOTMGM-PGMHBOJBSA-N 0 2 363.461 4.974 40 10 FJCBLN CCCC1=NN(c2ccccc2)C(=O)C1C(C)=Nc1ccccc1OCC ZINC000112116894 570810409 /nfs/dbraw/zinc/81/04/09/570810409.db2.gz CKCMQJRIGOTMGM-PGMHBOJBSA-N 0 2 363.461 4.974 40 10 FJCBLN O=S(=O)(Nc1nc(-c2cccc3ccccc32)cs1)c1ccccc1 ZINC000058704801 571086447 /nfs/dbraw/zinc/08/64/47/571086447.db2.gz UJSOPSFFWLSTKV-UHFFFAOYSA-N 0 2 366.467 4.764 40 10 FJCBLN COc1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000102915825 222313295 /nfs/dbraw/zinc/31/32/95/222313295.db2.gz WVAAOZMKRUBFAQ-WCWDXBQESA-N 0 2 358.397 4.913 40 10 FJCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccccc1Cl ZINC000035129154 571075439 /nfs/dbraw/zinc/07/54/39/571075439.db2.gz YOBKJZUSCMWPMN-LCYFTJDESA-N 0 2 361.184 4.500 40 10 FJCBLN Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1-c1cc(C)c2ccccc2n1 ZINC000012406695 207372112 /nfs/dbraw/zinc/37/21/12/207372112.db2.gz MHGOEPVHLIMGPJ-ZPHPHTNESA-N 0 2 372.453 4.802 40 10 FJCBLN