smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1/C(=C/c2ccccc2F)N=C(c2ccccc2)N1c1ccccc1 ZINC000004577833 210225058 /nfs/dbraw/zinc/22/50/58/210225058.db2.gz CBAINSDDWHHXCC-HKWRFOASSA-N 0 0 342.373 4.660 40 10 EJCBRN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000100479039 219100718 /nfs/dbraw/zinc/10/07/18/219100718.db2.gz DHIUFRQKHIZKHW-MHWRWJLKSA-N 0 0 331.202 4.800 40 10 EJCBRN Nc1ccc(/N=N/c2cccc(/N=N\c3ccc(N)cc3N)c2)c(N)c1 ZINC000004365610 210180841 /nfs/dbraw/zinc/18/08/41/210180841.db2.gz BDFZFGDTHFGWRQ-MJPLYFDISA-N 0 0 346.398 4.846 40 10 EJCBRN COc1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004320916 210170008 /nfs/dbraw/zinc/17/00/08/210170008.db2.gz JLGXPLMOEUEIGL-VEVIJQCQSA-N 0 0 340.354 4.569 40 10 EJCBRN CCc1c2c(C)nn(-c3ccccc3)c2nc2c1C(=O)c1ccccc1-2 ZINC000044138270 213609982 /nfs/dbraw/zinc/60/99/82/213609982.db2.gz OTBMHQMTSAJJRG-UHFFFAOYSA-N 0 0 339.398 4.503 40 10 EJCBRN O=C1c2ccccc2C(=O)c2c(O)cc3sc4ccccc4c3c21 ZINC000035323597 213022314 /nfs/dbraw/zinc/02/23/14/213022314.db2.gz DUQRDBOFNUXCQS-UHFFFAOYSA-N 0 0 330.364 4.536 40 10 EJCBRN Cc1cc(CO)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000034772884 212986250 /nfs/dbraw/zinc/98/62/50/212986250.db2.gz WKRDHRRQKRSBBR-UHFFFAOYSA-N 0 0 341.838 4.819 40 10 EJCBRN O=C1c2ccccc2-c2nnc(-c3cc(Cl)sc3Cl)cc21 ZINC000000049014 209389311 /nfs/dbraw/zinc/38/93/11/209389311.db2.gz DWDIWBGEEYFBQC-UHFFFAOYSA-N 0 0 333.199 4.723 40 10 EJCBRN CCSc1ccccc1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000224763623 241778770 /nfs/dbraw/zinc/77/87/70/241778770.db2.gz LLWYLMXTHSEDLW-UHFFFAOYSA-N 0 0 342.508 4.575 40 10 EJCBRN CCN(CC)c1ccc(CNc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000226242168 242091472 /nfs/dbraw/zinc/09/14/72/242091472.db2.gz KSSOIELWFOWWMT-UHFFFAOYSA-N 0 0 327.428 4.670 40 10 EJCBRN CCN(CC)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1 ZINC000012405033 211368987 /nfs/dbraw/zinc/36/89/87/211368987.db2.gz HNVCXDAVEHOIBP-HNENSFHCSA-N 0 0 349.232 4.811 40 10 EJCBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc2ccccc21 ZINC000012436612 207143602 /nfs/dbraw/zinc/14/36/02/207143602.db2.gz OQWPWNSZSGVLIW-RGEXLXHISA-N 0 0 327.387 4.558 40 10 EJCBRN CCOc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000013389349 207384052 /nfs/dbraw/zinc/38/40/52/207384052.db2.gz MMFVALGIYAVNPU-GPMSIDNRSA-N 0 0 336.391 4.820 40 10 EJCBRN COc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004959516 210340362 /nfs/dbraw/zinc/34/03/62/210340362.db2.gz SKNIDMSHTWWSCS-AVYPCKFXSA-N 0 0 336.391 4.738 40 10 EJCBRN COc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004959518 210340221 /nfs/dbraw/zinc/34/02/21/210340221.db2.gz SKNIDMSHTWWSCS-MDOVXXIYSA-N 0 0 336.391 4.738 40 10 EJCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2F)N1c1ccccc1 ZINC000408763237 257888798 /nfs/dbraw/zinc/88/87/98/257888798.db2.gz MFEQKEMSBNOTAF-QGOAFFKASA-N 0 0 348.402 4.722 40 10 EJCBRN CCCC1(c2ccc(Br)cc2)C(=O)c2ccccc2C1=O ZINC000059370519 257850584 /nfs/dbraw/zinc/85/05/84/257850584.db2.gz RYLOPYFDJILIEK-UHFFFAOYSA-N 0 0 343.220 4.566 40 10 EJCBRN Brc1cccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 ZINC000020750850 257855950 /nfs/dbraw/zinc/85/59/50/257855950.db2.gz YGOZJLHOLQQZEC-XJKCOSOUSA-N 0 0 327.225 4.671 40 10 EJCBRN Cc1cccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)n1 ZINC000002747021 563448380 /nfs/dbraw/zinc/44/83/80/563448380.db2.gz MVVZVJGMTSSYNJ-FQEVSTJZSA-N 0 0 341.414 4.845 40 10 EJCBRN O=c1ccc2cc(/N=N/c3ccc(Br)cc3)ccc2o1 ZINC000004109575 563494757 /nfs/dbraw/zinc/49/47/57/563494757.db2.gz NBCALFBSXDQDOI-ISLYRVAYSA-N 0 0 329.153 4.971 40 10 EJCBRN CCc1ccccc1N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000005371780 563529136 /nfs/dbraw/zinc/52/91/36/563529136.db2.gz SNLBQWFPMAZYAA-WJDWOHSUSA-N 0 0 343.448 4.794 40 10 EJCBRN Cc1cccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c1C ZINC000005602909 563542245 /nfs/dbraw/zinc/54/22/45/563542245.db2.gz DJZKLUGEMSPGRV-YBEGLDIGSA-N 0 0 343.448 4.848 40 10 EJCBRN Cc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1 ZINC000006131384 563559262 /nfs/dbraw/zinc/55/92/62/563559262.db2.gz LFCOWLKXFDUELZ-XNTDXEJSSA-N 0 0 329.421 4.540 40 10 EJCBRN CCOC(=O)c1sc2nc3c(cc2c1N)[C@@H](C)CC[C@@H]3C(C)C ZINC000006392456 563566970 /nfs/dbraw/zinc/56/69/70/563566970.db2.gz TVHMBCNJVKIENZ-WDEREUQCSA-N 0 0 332.469 4.692 40 10 EJCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1C ZINC000006858445 563589003 /nfs/dbraw/zinc/58/90/03/563589003.db2.gz KQNCWILYJKQQDP-LFIBNONCSA-N 0 0 325.458 4.709 40 10 EJCBRN COc1ccc2cc(C3=C/C(=C/c4ccccc4F)C(=O)O3)ccc2c1 ZINC000408722085 563618586 /nfs/dbraw/zinc/61/85/86/563618586.db2.gz DFFPIFJYTHLPCA-WQRHYEAKSA-N 0 0 346.357 4.969 40 10 EJCBRN O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000408723401 563622773 /nfs/dbraw/zinc/62/27/73/563622773.db2.gz UBFYTLKYIAARCF-WQRHYEAKSA-N 0 0 343.338 4.729 40 10 EJCBRN Cc1ccccc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O ZINC000408740642 563639468 /nfs/dbraw/zinc/63/94/68/563639468.db2.gz CTGYBHLRFITBNS-XNTDXEJSSA-N 0 0 341.204 4.739 40 10 EJCBRN Cc1c(/N=N/c2cccc(C)c2C)c(-c2ccccc2)nn1C(N)=S ZINC000017130653 563838113 /nfs/dbraw/zinc/83/81/13/563838113.db2.gz PIJDBTOUFQIYRJ-QURGRASLSA-N 0 0 349.463 4.982 40 10 EJCBRN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1cccc(Cl)c1 ZINC000018153316 563849672 /nfs/dbraw/zinc/84/96/72/563849672.db2.gz LGAGMXCJMMKHFX-QZQOTICOSA-N 0 0 339.786 4.652 40 10 EJCBRN Cc1cccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccccc2)c1 ZINC000408757900 563920040 /nfs/dbraw/zinc/92/00/40/563920040.db2.gz DOJCDZZNAQRMTR-LTGZKZEYSA-N 0 0 338.410 4.830 40 10 EJCBRN CCOC(=O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 ZINC000006630694 563992825 /nfs/dbraw/zinc/99/28/25/563992825.db2.gz FJUWJLUUFQYWSX-NJSLBKSFSA-N 0 0 337.394 4.829 40 10 EJCBRN O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1c1ccc(F)cc1 ZINC000000969644 564002201 /nfs/dbraw/zinc/00/22/01/564002201.db2.gz DUMQGMKAAFARJF-LHQXNBGVSA-N 0 0 341.432 4.788 40 10 EJCBRN Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408767462 564006380 /nfs/dbraw/zinc/00/63/80/564006380.db2.gz XYYRCZZNRDEPEI-CPNJWEJPSA-N 0 0 346.361 4.562 40 10 EJCBRN CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)c[nH]c21 ZINC000409123717 564010231 /nfs/dbraw/zinc/01/02/31/564010231.db2.gz HRBLECGGKODXBZ-NVNXTCNLSA-N 0 0 344.505 4.588 40 10 EJCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 ZINC000409153833 564010597 /nfs/dbraw/zinc/01/05/97/564010597.db2.gz NNAORMWTAAEXKP-FMTVUPSXSA-N 0 0 340.354 4.569 40 10 EJCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000409160973 564010598 /nfs/dbraw/zinc/01/05/98/564010598.db2.gz RVKIQDOPJLIWSS-FUHIMQAGSA-N 0 0 337.394 4.747 40 10 EJCBRN COc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409157025 564010606 /nfs/dbraw/zinc/01/06/06/564010606.db2.gz VDVRSWYDWHYIFQ-FHSNZYRGSA-N 0 0 325.383 4.669 40 10 EJCBRN COc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409157041 564010630 /nfs/dbraw/zinc/01/06/30/564010630.db2.gz VDVRSWYDWHYIFQ-SNUQEOBHSA-N 0 0 325.383 4.669 40 10 EJCBRN Fc1cc(Br)cc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 ZINC000409170397 564010643 /nfs/dbraw/zinc/01/06/43/564010643.db2.gz VCSPPGIVPDDFJD-XJKCOSOUSA-N 0 0 345.215 4.810 40 10 EJCBRN Fc1cc(Br)cc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21 ZINC000409170396 564010646 /nfs/dbraw/zinc/01/06/46/564010646.db2.gz VCSPPGIVPDDFJD-DVOMOZLQSA-N 0 0 345.215 4.810 40 10 EJCBRN CSc1cccc(N2C(=O)/C(=C\c3cccs3)SC2=S)c1 ZINC000409343331 564011784 /nfs/dbraw/zinc/01/17/84/564011784.db2.gz GRDCORUMTXKDQO-UKTHLTGXSA-N 0 0 349.527 4.876 40 10 EJCBRN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccc(F)cc1 ZINC000001859948 564013145 /nfs/dbraw/zinc/01/31/45/564013145.db2.gz KGNIXPQERDWBPH-NTEUORMPSA-N 0 0 332.787 4.562 40 10 EJCBRN O=C1/C(=C\c2cccnc2)SC(=S)N1c1cccc2ccccc21 ZINC000005741284 564014199 /nfs/dbraw/zinc/01/41/99/564014199.db2.gz LZNIEZYWWCUDOS-GZTJUZNOSA-N 0 0 348.452 4.641 40 10 EJCBRN O=C1/C(=C\c2ccncc2)SC(=S)N1c1cccc2ccccc21 ZINC000009310680 564016858 /nfs/dbraw/zinc/01/68/58/564016858.db2.gz KSXCTRDVCSXSSI-SFQUDFHCSA-N 0 0 348.452 4.641 40 10 EJCBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S ZINC000113836707 564019711 /nfs/dbraw/zinc/01/97/11/564019711.db2.gz JOLSMVHQAFFNTB-RVDMUPIBSA-N 0 0 329.446 4.558 40 10 EJCBRN CCOc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@@H]21 ZINC000013389490 564019794 /nfs/dbraw/zinc/01/97/94/564019794.db2.gz OUPOBTJOBQFJHU-MBOZVWFJSA-N 0 0 349.430 4.698 40 10 EJCBRN Cc1ccc(N=NNc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000005362942 564032015 /nfs/dbraw/zinc/03/20/15/564032015.db2.gz JLRQMDYURNUMCJ-UHFFFAOYSA-N 0 0 341.370 4.881 40 10 EJCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21 ZINC000020692015 564033314 /nfs/dbraw/zinc/03/33/14/564033314.db2.gz ONWFKJYPEBNDEJ-ZRGWGRIASA-N 0 0 336.391 4.738 40 10 EJCBRN Brc1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000020750847 564033382 /nfs/dbraw/zinc/03/33/82/564033382.db2.gz YGOZJLHOLQQZEC-DVOMOZLQSA-N 0 0 327.225 4.671 40 10 EJCBRN Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000223326568 564039581 /nfs/dbraw/zinc/03/95/81/564039581.db2.gz VAIJXCHZGOGBHV-GOSISDBHSA-N 0 0 336.479 4.785 40 10 EJCBRN C[C@H](NC(=S)Nc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000225662332 564049170 /nfs/dbraw/zinc/04/91/70/564049170.db2.gz ZQYGYQSSHYANGR-INIZCTEOSA-N 0 0 339.508 4.725 40 10 EJCBRN CCN(CC)c1ccc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1 ZINC000059425959 564050720 /nfs/dbraw/zinc/05/07/20/564050720.db2.gz PKECQQSVTBBLCE-JXAWBTAJSA-N 0 0 349.430 4.523 40 10 EJCBRN CSc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000096505503 564051331 /nfs/dbraw/zinc/05/13/31/564051331.db2.gz AUQDWPODYWYRQO-RVDMUPIBSA-N 0 0 349.546 4.942 40 10 EJCBRN Oc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000013123139 564085085 /nfs/dbraw/zinc/08/50/85/564085085.db2.gz BCAJURJBQVGENH-OAQYLSRUSA-N 0 0 332.378 4.887 40 10 EJCBRN Cc1ccccc1NCc1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000226241547 564117148 /nfs/dbraw/zinc/11/71/48/564117148.db2.gz IHDPOELIKZLGFY-INIZCTEOSA-N 0 0 339.439 4.894 40 10 EJCBRN Cc1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000226241769 564117154 /nfs/dbraw/zinc/11/71/54/564117154.db2.gz POFSLHFZOHFCMF-UHFFFAOYSA-N 0 0 339.439 4.814 40 10 EJCBRN CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226886481 564118319 /nfs/dbraw/zinc/11/83/19/564118319.db2.gz GQBDQLVVPWRSOP-UWVAXJGDSA-N 0 0 336.391 4.820 40 10 EJCBRN Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccccc1 ZINC000006962181 564126435 /nfs/dbraw/zinc/12/64/35/564126435.db2.gz KVPVNOLNZPNCPK-FQEVSTJZSA-N 0 0 333.460 4.791 40 10 EJCBRN CC(C)Oc1ccccc1C=C1SC(Nc2ccccc2)=NC1=O ZINC000032789136 564129645 /nfs/dbraw/zinc/12/96/45/564129645.db2.gz LCNKHSXJACQUIG-ATVHPVEESA-N 0 0 338.432 4.556 40 10 EJCBRN CCCOc1cccc(C=C2SC(Nc3ccccc3)=NC2=O)c1 ZINC000034864730 564129683 /nfs/dbraw/zinc/12/96/83/564129683.db2.gz CQLLFTKSKWTUCH-LGMDPLHJSA-N 0 0 338.432 4.558 40 10 EJCBRN COc1cccc(C2Nc3cccc4cccc(c43)N2)c1OC(F)F ZINC000070453954 564136180 /nfs/dbraw/zinc/13/61/80/564136180.db2.gz SFXZFEHFKZMHRI-UHFFFAOYSA-N 0 0 342.345 4.986 40 10 EJCBRN COc1cc2cccnc2c(NN=C2C=CC(=O)c3ncccc32)c1 ZINC000100681064 568416113 /nfs/dbraw/zinc/41/61/13/568416113.db2.gz HBQZEQAVPMSYRO-GHVJWSGMSA-N 0 0 330.347 4.913 40 10 EJCBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004371920 210182510 /nfs/dbraw/zinc/18/25/10/210182510.db2.gz OQMZDIRZHMKGTG-MPGHIAIKSA-N 0 0 339.822 4.953 40 10 EJCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c1 ZINC000003071929 209960730 /nfs/dbraw/zinc/96/07/30/209960730.db2.gz JLCLKDOZRMVIEV-WJDWOHSUSA-N 0 0 325.458 4.709 40 10 EJCBRN Cc1c(/N=N\c2cccc(C)c2C)c(-c2ccccc2)nn1C(N)=S ZINC000104225576 219363637 /nfs/dbraw/zinc/36/36/37/219363637.db2.gz PIJDBTOUFQIYRJ-DQRAZIAOSA-N 0 0 349.463 4.982 40 10 EJCBRN O=C1C(=NNc2ccc(Cl)cc2)Sc2nc3ccccc3n21 ZINC000104240661 219364180 /nfs/dbraw/zinc/36/41/80/219364180.db2.gz WJMJBJYYGBQKEH-LTFJSZEESA-N 0 0 328.784 4.546 40 10 EJCBRN COc1ccc(/N=N\N=c2/sc3cc(Cl)ccc3n2C)cc1 ZINC000104265268 219367079 /nfs/dbraw/zinc/36/70/79/219367079.db2.gz MEPPQPVWKILUKS-CVCNAQRLSA-N 0 0 332.816 4.501 40 10 EJCBRN CCc1ccccc1NC1=NC(=O)C(=Cc2c[nH]c3ccccc23)S1 ZINC000027229930 202153281 /nfs/dbraw/zinc/15/32/81/202153281.db2.gz PUILQQOVOLDUKM-WQRHYEAKSA-N 0 0 347.443 4.813 40 10 EJCBRN CCc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 ZINC000035040316 213005383 /nfs/dbraw/zinc/00/53/83/213005383.db2.gz RGPLVACFFWFEPR-LFIBNONCSA-N 0 0 343.448 4.794 40 10 EJCBRN CCN(CC)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1 ZINC000242498688 243022788 /nfs/dbraw/zinc/02/27/88/243022788.db2.gz HNVCXDAVEHOIBP-UHFFFAOYSA-N 0 0 349.232 4.811 40 10 EJCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000019593897 212050340 /nfs/dbraw/zinc/05/03/40/212050340.db2.gz PIEWXXSAOWVROB-MFOYZWKCSA-N 0 0 349.821 4.936 40 10 EJCBRN O=C1C(=NNc2ccc(Cl)cc2)Sc2nc3ccccc3n21 ZINC000104240672 204102073 /nfs/dbraw/zinc/10/20/73/204102073.db2.gz WJMJBJYYGBQKEH-HVCBDAARSA-N 0 0 328.784 4.546 40 10 EJCBRN CCOC(=O)[C@H](Cc1ccccc1)n1c(C)ccc1-c1ccccc1 ZINC000095951485 218459462 /nfs/dbraw/zinc/45/94/62/218459462.db2.gz AIRGWDOKGMDBAX-NRFANRHFSA-N 0 0 333.431 4.810 40 10 EJCBRN CCOc1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@H]21 ZINC000004959570 210340755 /nfs/dbraw/zinc/34/07/55/210340755.db2.gz OUPOBTJOBQFJHU-ABSDTBQOSA-N 0 0 349.430 4.698 40 10 EJCBRN COc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000004959504 210340556 /nfs/dbraw/zinc/34/05/56/210340556.db2.gz AFDNYIMLBRXEMD-MDZRGWNJSA-N 0 0 336.391 4.738 40 10 EJCBRN Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072216759 257688166 /nfs/dbraw/zinc/68/81/66/257688166.db2.gz HSYDPAVJTCFSCH-KRWDZBQOSA-N 0 0 341.455 4.561 40 10 EJCBRN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1cccc(F)c1 ZINC000408973434 257884744 /nfs/dbraw/zinc/88/47/44/257884744.db2.gz MWHFEGKRRDKXQK-ZSOIEALJSA-N 0 0 349.839 4.885 40 10 EJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1C(F)(F)F ZINC000058854625 257853675 /nfs/dbraw/zinc/85/36/75/257853675.db2.gz RYUIPRKBBJNVFL-RVDMUPIBSA-N 0 0 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