smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)CCC#N ZINC000602431921 567979651 /nfs/dbraw/zinc/97/96/51/567979651.db2.gz GNWDBBINDLWFKS-GJZGRUSLSA-N 0 1 369.431 4.684 20 30 FJEDMN Cc1ccc2nc([C@H]3CCCN(c4cc(C#N)c5ccccc5n4)C3)[nH]c2c1 ZINC000568458106 568040089 /nfs/dbraw/zinc/04/00/89/568040089.db2.gz TWYNLBBRYXCZGU-INIZCTEOSA-N 0 1 367.456 4.675 20 30 FJEDMN Cc1nc2cccc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)c2[nH]1 ZINC000568605633 568085110 /nfs/dbraw/zinc/08/51/10/568085110.db2.gz AAPQTIFDTQHBMS-UHFFFAOYSA-N 0 1 368.396 4.788 20 30 FJEDMN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1sccc1Br ZINC000481677231 568085141 /nfs/dbraw/zinc/08/51/41/568085141.db2.gz YREZUWOZXRDTEY-MRXNPFEDSA-N 0 1 361.308 4.940 20 30 FJEDMN C=CCOc1ccc(CN[C@@H]2CCOc3c(OC)cccc32)cc1Cl ZINC000603518979 568109152 /nfs/dbraw/zinc/10/91/52/568109152.db2.gz STCLGBZSHNSFAL-QGZVFWFLSA-N 0 1 359.853 4.527 20 30 FJEDMN N#Cc1ccc(CN[C@H](c2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000569106649 568277635 /nfs/dbraw/zinc/27/76/35/568277635.db2.gz MIXRQPMZTFDJIF-FQEVSTJZSA-N 0 1 353.397 4.627 20 30 FJEDMN CCCC[C@@](C)(NCc1ccc(C#N)cn1)c1cccc(Br)c1 ZINC000569469206 568399469 /nfs/dbraw/zinc/39/94/69/568399469.db2.gz QAGLJHVADISVBY-LJQANCHMSA-N 0 1 372.310 4.911 20 30 FJEDMN N#Cc1ccccc1COc1cccc(CN(Cc2ccccn2)C2CC2)c1 ZINC000569410629 568401180 /nfs/dbraw/zinc/40/11/80/568401180.db2.gz CLDOVAJPCASSHC-UHFFFAOYSA-N 0 1 369.468 4.697 20 30 FJEDMN Fc1ccc(SCCN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000605026538 568531413 /nfs/dbraw/zinc/53/14/13/568531413.db2.gz ADADHAAVTVGHMJ-UHFFFAOYSA-N 0 1 361.326 4.735 20 30 FJEDMN N#Cc1ccc(OCCN2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000015572198 211132562 /nfs/dbraw/zinc/13/25/62/211132562.db2.gz SFMZEVPAGNGKEQ-FQEVSTJZSA-N 0 1 366.511 4.708 20 30 FJEDMN N#Cc1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cc1 ZINC000108484020 222418024 /nfs/dbraw/zinc/41/80/24/222418024.db2.gz CPRHWJHWOIWTIP-UHFFFAOYSA-N 0 1 374.350 4.632 20 30 FJEDMN CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)CCC#N ZINC000602431922 567979680 /nfs/dbraw/zinc/97/96/80/567979680.db2.gz GNWDBBINDLWFKS-HUUCEWRRSA-N 0 1 369.431 4.684 20 30 FJEDMN Cc1nc(C(C)C)ccc1CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000568301105 568031287 /nfs/dbraw/zinc/03/12/87/568031287.db2.gz UVLDSBZPPOGIEU-UHFFFAOYSA-N 0 1 367.468 4.568 20 30 FJEDMN Cn1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)c2ccccc21 ZINC000051533481 568066089 /nfs/dbraw/zinc/06/60/89/568066089.db2.gz PWZCSAUMBGNPKU-MRXNPFEDSA-N 0 1 357.438 4.792 20 30 FJEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1c(F)cccc1OC(F)F ZINC000481669299 568080899 /nfs/dbraw/zinc/08/08/99/568080899.db2.gz MNNLCTGHNNASTR-SFHVURJKSA-N 0 1 360.379 4.856 20 30 FJEDMN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(Cl)c1O ZINC000481739965 568099901 /nfs/dbraw/zinc/09/99/01/568099901.db2.gz ILMCCXQYCWDICC-UHFFFAOYSA-N 0 1 364.788 4.962 20 30 FJEDMN Cc1ccc([C@H](C)N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000603849714 568164391 /nfs/dbraw/zinc/16/43/91/568164391.db2.gz AVLNTPKDIJXKFX-FQEVSTJZSA-N 0 1 363.505 4.552 20 30 FJEDMN Cc1nc(-c2ccc(CN[C@H](C)c3ccc(C#N)cc3F)cc2)cs1 ZINC000541904509 568208248 /nfs/dbraw/zinc/20/82/48/568208248.db2.gz CJGJEAFIKRDKQU-CYBMUJFWSA-N 0 1 351.450 4.980 20 30 FJEDMN N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(O)c(Cl)c3)cc2)c1 ZINC000436695812 568376531 /nfs/dbraw/zinc/37/65/31/568376531.db2.gz GIRARRNOZHHDGF-UHFFFAOYSA-N 0 1 364.788 4.962 20 30 FJEDMN CCCC[C@](C)(NCc1ccc(C#N)cn1)c1cccc(Br)c1 ZINC000569469205 568399461 /nfs/dbraw/zinc/39/94/61/568399461.db2.gz QAGLJHVADISVBY-IBGZPJMESA-N 0 1 372.310 4.911 20 30 FJEDMN C[C@@H](NCc1nc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569494694 568403735 /nfs/dbraw/zinc/40/37/35/568403735.db2.gz JXBMIQVJXTXAPP-MRXNPFEDSA-N 0 1 352.441 4.952 20 30 FJEDMN N#Cc1ccc(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)nc1 ZINC000569937355 568435137 /nfs/dbraw/zinc/43/51/37/568435137.db2.gz KHAZIXLMGJQIEC-UHFFFAOYSA-N 0 1 368.893 4.596 20 30 FJEDMN CCOc1ccccc1CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000236944244 567937721 /nfs/dbraw/zinc/93/77/21/567937721.db2.gz NFTCEUMFLMEEAW-UHFFFAOYSA-N 0 1 372.468 4.826 20 30 FJEDMN CCOc1ccccc1CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000236944289 567937799 /nfs/dbraw/zinc/93/77/99/567937799.db2.gz PWGSRNPMSSSXFA-UHFFFAOYSA-N 0 1 372.468 4.826 20 30 FJEDMN Cc1ccc2nc([C@@H]3CCCN(c4c(C#N)cnc5ccccc54)C3)[nH]c2c1 ZINC000568692579 568123805 /nfs/dbraw/zinc/12/38/05/568123805.db2.gz ZPMMBXSSQAZUAR-MRXNPFEDSA-N 0 1 367.456 4.675 20 30 FJEDMN C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008118531 568140932 /nfs/dbraw/zinc/14/09/32/568140932.db2.gz MHVBMZBHGKWSRG-GJZGRUSLSA-N 0 1 367.518 4.566 20 30 FJEDMN CSC[C@H](NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000541916556 568233234 /nfs/dbraw/zinc/23/32/34/568233234.db2.gz KYSJSHBBUVCLOC-KRWDZBQOSA-N 0 1 350.409 4.771 20 30 FJEDMN CCc1cccc2c1OCC[C@H]2NCc1ccc(C#N)cc1C(F)(F)F ZINC000569057923 568293663 /nfs/dbraw/zinc/29/36/63/568293663.db2.gz HKCHWSRHHQMAKR-GOSISDBHSA-N 0 1 360.379 4.753 20 30 FJEDMN COc1ccc([C@@H](Cc2ccccc2)NCc2ccc(C#N)cc2F)cc1 ZINC000569395600 568400500 /nfs/dbraw/zinc/40/05/00/568400500.db2.gz CCZGNZMAYFNANT-HSZRJFAPSA-N 0 1 360.432 4.780 20 30 FJEDMN C[C@@H](NCc1cn2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542013617 568543297 /nfs/dbraw/zinc/54/32/97/568543297.db2.gz IHYNVSFEPFCGSO-QGZVFWFLSA-N 0 1 352.441 4.724 20 30 FJEDMN C[C@@H](NCC(=O)N(C)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542012949 568573889 /nfs/dbraw/zinc/57/38/89/568573889.db2.gz ZDYVAOMSMMECBC-GOSISDBHSA-N 0 1 369.468 4.539 20 30 FJEDMN C[C@@H](NCc1ccc(F)c(C#N)c1Cl)c1ccc(-c2cncnc2)cc1 ZINC000365429182 568662230 /nfs/dbraw/zinc/66/22/30/568662230.db2.gz RFAXHXRMWOMVJF-CYBMUJFWSA-N 0 1 366.827 4.659 20 30 FJEDMN C=CCOc1ccc(CN[C@H]2CCOc3c(OC)cccc32)cc1Cl ZINC000603518978 568109062 /nfs/dbraw/zinc/10/90/62/568109062.db2.gz STCLGBZSHNSFAL-KRWDZBQOSA-N 0 1 359.853 4.527 20 30 FJEDMN Cc1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1NC([O-])=[NH+]c1ccccc1 ZINC000330304902 568208257 /nfs/dbraw/zinc/20/82/57/568208257.db2.gz KRGVBUVYONBYLD-OXJNMPFZSA-N 0 1 363.461 4.667 20 30 FJEDMN N#Cc1ccc(CN[C@H]2CCOc3c(Cl)cccc32)c(C(F)(F)F)c1 ZINC000568938075 568253902 /nfs/dbraw/zinc/25/39/02/568253902.db2.gz SVJQALZXZJWKIN-INIZCTEOSA-N 0 1 366.770 4.844 20 30 FJEDMN Cn1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)c2ccccc21 ZINC000051533482 568066106 /nfs/dbraw/zinc/06/61/06/568066106.db2.gz PWZCSAUMBGNPKU-INIZCTEOSA-N 0 1 357.438 4.792 20 30 FJEDMN COc1ccc(CNC2(c3ccc(Cl)cc3)CC2)cc1OCCCC#N ZINC000069878414 568098065 /nfs/dbraw/zinc/09/80/65/568098065.db2.gz SKSBZNKWGCJZLD-UHFFFAOYSA-N 0 1 370.880 4.810 20 30 FJEDMN CCOc1cc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000603627379 568127452 /nfs/dbraw/zinc/12/74/52/568127452.db2.gz BJAIYZTWNAXYPW-AWEZNQCLSA-N 0 1 354.406 4.633 20 30 FJEDMN Cc1nc(-c2ccc(CN[C@@H](C)c3ccc(C#N)cc3F)cc2)cs1 ZINC000541904510 568212324 /nfs/dbraw/zinc/21/23/24/568212324.db2.gz CJGJEAFIKRDKQU-ZDUSSCGKSA-N 0 1 351.450 4.980 20 30 FJEDMN COCC[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000569247253 568319006 /nfs/dbraw/zinc/31/90/06/568319006.db2.gz FLFGQPWXIQHNOG-SFHVURJKSA-N 0 1 367.251 4.872 20 30 FJEDMN N#CC(C(=O)c1cccc(Oc2nccs2)c1)c1nc2ccccc2o1 ZINC000606144939 568670154 /nfs/dbraw/zinc/67/01/54/568670154.db2.gz FUBHOFRCTDMWGB-CQSZACIVSA-N 0 1 361.382 4.567 20 30 FJEDMN N#C[C@H](C(=O)c1cc2occc2s1)c1nc2ccccc2n1C(F)F ZINC000606147531 568684358 /nfs/dbraw/zinc/68/43/58/568684358.db2.gz YLKUAERSCSNECQ-SECBINFHSA-N 0 1 357.341 4.729 20 30 FJEDMN N#CC(C(=O)c1cc2occc2s1)c1nc2ccccc2n1C(F)F ZINC000606147531 568684360 /nfs/dbraw/zinc/68/43/60/568684360.db2.gz YLKUAERSCSNECQ-SECBINFHSA-N 0 1 357.341 4.729 20 30 FJEDMN N#CC(C(=O)c1cnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000048829720 205165270 /nfs/dbraw/zinc/16/52/70/205165270.db2.gz HMNYXAKJHDVETA-ZDUSSCGKSA-N 0 1 373.359 4.714 20 30 FJEDMN N#C[C@H](C(=O)c1cnc(-c2ccccc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000048829720 205165272 /nfs/dbraw/zinc/16/52/72/205165272.db2.gz HMNYXAKJHDVETA-ZDUSSCGKSA-N 0 1 373.359 4.714 20 30 FJEDMN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1c(F)cccc1OC(F)F ZINC000481669298 568083543 /nfs/dbraw/zinc/08/35/43/568083543.db2.gz MNNLCTGHNNASTR-GOSISDBHSA-N 0 1 360.379 4.856 20 30 FJEDMN COC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000481667798 568083793 /nfs/dbraw/zinc/08/37/93/568083793.db2.gz HRUVYGSLNFAAOO-RTWAWAEBSA-N 0 1 356.416 4.581 20 30 FJEDMN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1nc2ccccc2n1C(F)F ZINC000603425224 568096447 /nfs/dbraw/zinc/09/64/47/568096447.db2.gz SEFQUDMTIFEKDY-CQSZACIVSA-N 0 1 366.415 4.837 20 30 FJEDMN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1nc2ccccc2n1C(F)F ZINC000603425220 568096449 /nfs/dbraw/zinc/09/64/49/568096449.db2.gz SEFQUDMTIFEKDY-AWEZNQCLSA-N 0 1 366.415 4.837 20 30 FJEDMN Fc1ccc2c(c1)nccc2N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000603493321 568107737 /nfs/dbraw/zinc/10/77/37/568107737.db2.gz BJMOEMNMBKWDCV-AOOOYVTPSA-N 0 1 366.280 4.941 20 30 FJEDMN C=CCc1cc(CNCc2cccc(Cl)c2Cl)cc(OC)c1O ZINC000603513506 568111207 /nfs/dbraw/zinc/11/12/07/568111207.db2.gz CGSILRNNJRONPF-UHFFFAOYSA-N 0 1 352.261 4.726 20 30 FJEDMN Cc1ccc2nc([C@H]3CCCN(c4c(C#N)cnc5ccccc54)C3)[nH]c2c1 ZINC000568692578 568123791 /nfs/dbraw/zinc/12/37/91/568123791.db2.gz ZPMMBXSSQAZUAR-INIZCTEOSA-N 0 1 367.456 4.675 20 30 FJEDMN CCOc1cc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000603627380 568127435 /nfs/dbraw/zinc/12/74/35/568127435.db2.gz BJAIYZTWNAXYPW-CQSZACIVSA-N 0 1 354.406 4.633 20 30 FJEDMN Cc1ccc([C@@H](C)N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000603684846 568135302 /nfs/dbraw/zinc/13/53/02/568135302.db2.gz BRQLZVDNSXPQAA-HXUWFJFHSA-N 0 1 363.505 4.552 20 30 FJEDMN Cc1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc1NC([O-])=[NH+]c1ccccc1 ZINC000330304901 568208224 /nfs/dbraw/zinc/20/82/24/568208224.db2.gz KRGVBUVYONBYLD-JXFKEZNVSA-N 0 1 363.461 4.667 20 30 FJEDMN Cc1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1NC([O-])=[NH+]c1ccccc1 ZINC000330304903 568208238 /nfs/dbraw/zinc/20/82/38/568208238.db2.gz KRGVBUVYONBYLD-OXQOHEQNSA-N 0 1 363.461 4.667 20 30 FJEDMN COc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1OC1CCCC1 ZINC000569534135 568406321 /nfs/dbraw/zinc/40/63/21/568406321.db2.gz VQEDWYAOJVSEIW-OAQYLSRUSA-N 0 1 362.473 4.665 20 30 FJEDMN COc1cc(CNCc2c(OC(C)C)ccc3ccccc32)ccc1C#N ZINC000569746359 568414639 /nfs/dbraw/zinc/41/46/39/568414639.db2.gz KVNXIBUGXCNHDG-UHFFFAOYSA-N 0 1 360.457 4.797 20 30 FJEDMN C=CCOc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000062420900 567951731 /nfs/dbraw/zinc/95/17/31/567951731.db2.gz IBSMVAKNWYMJFL-INIZCTEOSA-N 0 1 365.452 4.735 20 30 FJEDMN COc1cc(F)c([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000481659556 568082122 /nfs/dbraw/zinc/08/21/22/568082122.db2.gz QJHVXCAXFCKJHU-XOBRGWDASA-N 0 1 368.452 4.833 20 30 FJEDMN COC[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000481667797 568083590 /nfs/dbraw/zinc/08/35/90/568083590.db2.gz HRUVYGSLNFAAOO-NHCUHLMSSA-N 0 1 356.416 4.581 20 30 FJEDMN Cc1ccc([C@H](C)N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000603684845 568135315 /nfs/dbraw/zinc/13/53/15/568135315.db2.gz BRQLZVDNSXPQAA-FQEVSTJZSA-N 0 1 363.505 4.552 20 30 FJEDMN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008118533 568140959 /nfs/dbraw/zinc/14/09/59/568140959.db2.gz MHVBMZBHGKWSRG-LSDHHAIUSA-N 0 1 367.518 4.566 20 30 FJEDMN COc1ccc([C@H](Cc2ccccc2)NCc2cc(C#N)ccc2F)cc1 ZINC000569040080 568278258 /nfs/dbraw/zinc/27/82/58/568278258.db2.gz UKJOUDIDRWCONI-QHCPKHFHSA-N 0 1 360.432 4.780 20 30 FJEDMN Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)[nH]c2c1 ZINC000007061200 568437836 /nfs/dbraw/zinc/43/78/36/568437836.db2.gz XFMSJWMJRVVESX-NSHDSACASA-N 0 1 370.865 4.516 20 30 FJEDMN N#CC(C(=O)c1cccc(Oc2nccs2)c1)c1nc2ccccc2o1 ZINC000606144905 568670196 /nfs/dbraw/zinc/67/01/96/568670196.db2.gz FUBHOFRCTDMWGB-AWEZNQCLSA-N 0 1 361.382 4.567 20 30 FJEDMN N#C[C@@H](C(=O)c1cc2occc2s1)c1nc2ccccc2n1C(F)F ZINC000606147533 568684378 /nfs/dbraw/zinc/68/43/78/568684378.db2.gz YLKUAERSCSNECQ-VIFPVBQESA-N 0 1 357.341 4.729 20 30 FJEDMN N#CC(C(=O)c1cc2occc2s1)c1nc2ccccc2n1C(F)F ZINC000606147533 568684381 /nfs/dbraw/zinc/68/43/81/568684381.db2.gz YLKUAERSCSNECQ-VIFPVBQESA-N 0 1 357.341 4.729 20 30 FJEDMN COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000568558409 568051409 /nfs/dbraw/zinc/05/14/09/568051409.db2.gz SYTLYCZYLJTINN-INIZCTEOSA-N 0 1 359.429 4.605 20 30 FJEDMN COc1cc(C#N)ccc1CN[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000568558410 568051434 /nfs/dbraw/zinc/05/14/34/568051434.db2.gz SYTLYCZYLJTINN-MRXNPFEDSA-N 0 1 359.429 4.605 20 30 FJEDMN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccccc1Br ZINC000481645993 568080091 /nfs/dbraw/zinc/08/00/91/568080091.db2.gz PNIMNBQXAXESBN-IBGZPJMESA-N 0 1 355.279 4.878 20 30 FJEDMN C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008118534 568140978 /nfs/dbraw/zinc/14/09/78/568140978.db2.gz MHVBMZBHGKWSRG-HUUCEWRRSA-N 0 1 367.518 4.566 20 30 FJEDMN N#CCc1cccc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1 ZINC000603984023 568194550 /nfs/dbraw/zinc/19/45/50/568194550.db2.gz UWVSLHMFGBTQQR-UHFFFAOYSA-N 0 1 370.387 4.687 20 30 FJEDMN C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(Br)cn1 ZINC000481995735 568218811 /nfs/dbraw/zinc/21/88/11/568218811.db2.gz XDBPCUBRASZPMF-BFUOFWGJSA-N 0 1 370.294 4.834 20 30 FJEDMN CSC[C@@H](NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000541916557 568233357 /nfs/dbraw/zinc/23/33/57/568233357.db2.gz KYSJSHBBUVCLOC-QGZVFWFLSA-N 0 1 350.409 4.771 20 30 FJEDMN C[C@H](NCc1nc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569494693 568403681 /nfs/dbraw/zinc/40/36/81/568403681.db2.gz JXBMIQVJXTXAPP-INIZCTEOSA-N 0 1 352.441 4.952 20 30 FJEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(Oc4nccs4)c3)[nH]c21 ZINC000606146332 568667422 /nfs/dbraw/zinc/66/74/22/568667422.db2.gz MYNHSKVIVGYLRG-HNNXBMFYSA-N 0 1 374.425 4.610 20 30 FJEDMN COC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000481667799 568083702 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