smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(=O)n2nc(N[C@@H](C(=O)N3CCOCC3)C(C)C)sc2n1 ZINC000159595391 173683096 /nfs/dbraw/zinc/68/30/96/173683096.db2.gz SVPUDIWZCIOYNM-CYBMUJFWSA-N 0 0 365.459 1.009 10 70 FDIERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)cc1F)CC2 ZINC000159391467 524659827 /nfs/dbraw/zinc/65/98/27/524659827.db2.gz KZYFFKXNXXFTIW-LLVKDONJSA-N 0 0 356.398 1.973 10 70 FDIERN O=S(=O)(c1cccc2c1OCCO2)N1CCC(Cn2cccn2)CC1 ZINC000159423018 524666539 /nfs/dbraw/zinc/66/65/39/524666539.db2.gz YJYSTJJXSQCTIQ-UHFFFAOYSA-N 0 0 363.439 1.755 10 70 FDIERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCOCc1ccccc1 ZINC000159483718 524680707 /nfs/dbraw/zinc/68/07/07/524680707.db2.gz XSTWDSLHRGWNLS-QGZVFWFLSA-N 0 0 368.499 1.866 10 70 FDIERN Cc1nnc([C@@H]2CN(C(=O)NCc3cn(C)nc3C(F)(F)F)CCO2)[nH]1 ZINC000160802814 524972656 /nfs/dbraw/zinc/97/26/56/524972656.db2.gz AFGLTBIAGFYMBY-JTQLQIEISA-N 0 0 373.339 1.149 10 70 FDIERN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCC(c2ccnn2CCO)CC1 ZINC000160913456 524996463 /nfs/dbraw/zinc/99/64/63/524996463.db2.gz NZSWIWPXCVWFGT-NXHRZFHOSA-N 0 0 374.485 1.722 10 70 FDIERN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160943009 525000543 /nfs/dbraw/zinc/00/05/43/525000543.db2.gz IEXDSVATJKICPT-DZGCQCFKSA-N 0 0 366.429 1.576 10 70 FDIERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000161152760 525044104 /nfs/dbraw/zinc/04/41/04/525044104.db2.gz CUIVWJORRMWMEF-ZFWWWQNUSA-N 0 0 362.478 1.175 10 70 FDIERN COc1cccc(-c2cc(C(=O)N3CCN(C[C@@H](C)O)[C@H](C)C3)[nH]n2)c1 ZINC000161200720 525054579 /nfs/dbraw/zinc/05/45/79/525054579.db2.gz KCTYEWXZAQXBNF-ZIAGYGMSSA-N 0 0 358.442 1.612 10 70 FDIERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC(c2nnc3ccccn32)CC1 ZINC000161340299 525084024 /nfs/dbraw/zinc/08/40/24/525084024.db2.gz BJOUWUWEXVGNHM-CQSZACIVSA-N 0 0 366.429 1.225 10 70 FDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC2 ZINC000161465298 525113905 /nfs/dbraw/zinc/11/39/05/525113905.db2.gz YXFKGHCYGZXBSS-YNEHKIRRSA-N 0 0 371.507 1.179 10 70 FDIERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)CC2 ZINC000159375129 173675872 /nfs/dbraw/zinc/67/58/72/173675872.db2.gz MECYHPGGAOHYNI-GFCCVEGCSA-N 0 0 369.878 1.884 10 70 FDIERN Cn1cnc(-c2ccc(NC(=O)N3CCO[C@H](Cn4cccn4)C3)cc2)n1 ZINC000160888891 173724499 /nfs/dbraw/zinc/72/44/99/173724499.db2.gz CYJSCTOWXYXHLG-INIZCTEOSA-N 0 0 367.413 1.612 10 70 FDIERN C[C@@H]1CC[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)c2ccccc21 ZINC000159744749 524731670 /nfs/dbraw/zinc/73/16/70/524731670.db2.gz LXIFKCGLTUXERQ-WBMJQRKESA-N 0 0 362.455 1.675 10 70 FDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ncn(-c3ccccc3)n1)CC2 ZINC000159787783 524738548 /nfs/dbraw/zinc/73/85/48/524738548.db2.gz CBAFYJSPZUUOMU-CYBMUJFWSA-N 0 0 351.414 1.727 10 70 FDIERN COc1cc(CCNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)ccc1O ZINC000160012988 524790507 /nfs/dbraw/zinc/79/05/07/524790507.db2.gz YIUOFFHBZBUDDN-CQSZACIVSA-N 0 0 373.457 1.972 10 70 FDIERN O[C@@H](COc1ccccc1)CN1CCN(Cc2cnc3ccccn23)CC1 ZINC000160099608 524808202 /nfs/dbraw/zinc/80/82/02/524808202.db2.gz LYJKOMWJZCUZKN-LJQANCHMSA-N 0 0 366.465 1.892 10 70 FDIERN Cc1ccc(-c2nc(SCC(=O)N3CCC[C@@H]3C(=O)N(C)C)n[nH]2)cc1 ZINC000160322704 524858856 /nfs/dbraw/zinc/85/88/56/524858856.db2.gz FVHURJMZUOSCPK-CQSZACIVSA-N 0 0 373.482 1.951 10 70 FDIERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(N3CCNC3=O)ccc1F)CC2 ZINC000160701607 524951387 /nfs/dbraw/zinc/95/13/87/524951387.db2.gz BSOFBDATGKEQIM-NSHDSACASA-N 0 0 372.404 1.254 10 70 FDIERN CCS(=O)(=O)NCc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000160966271 525006665 /nfs/dbraw/zinc/00/66/65/525006665.db2.gz SJXMYRXRBJORCR-DLBZAZTESA-N 0 0 366.483 1.910 10 70 FDIERN CC(C)(C)c1ccc([C@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161000260 525012582 /nfs/dbraw/zinc/01/25/82/525012582.db2.gz GXRLSRVFDPWGQN-HZPDHXFCSA-N 0 0 357.458 1.923 10 70 FDIERN Nc1nc(N)nc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161059251 525025171 /nfs/dbraw/zinc/02/51/71/525025171.db2.gz IXJMEVKODQWERJ-QWRGUYRKSA-N 0 0 354.336 1.363 10 70 FDIERN COCCN1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C[C@H]1C ZINC000161060348 525025596 /nfs/dbraw/zinc/02/55/96/525025596.db2.gz VJZUEKCRJNKLFN-CQSZACIVSA-N 0 0 358.446 1.667 10 70 FDIERN COC(=O)CNC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161067822 525025987 /nfs/dbraw/zinc/02/59/87/525025987.db2.gz KTXOCHYXBHQJRH-QWHCGFSZSA-N 0 0 360.332 1.102 10 70 FDIERN CC1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)CC1 ZINC000161067940 525026765 /nfs/dbraw/zinc/02/67/65/525026765.db2.gz DAGAUWAIAWNDRX-INIZCTEOSA-N 0 0 374.489 1.273 10 70 FDIERN O=C(CC1CCCCC1)N1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000161314932 525078723 /nfs/dbraw/zinc/07/87/23/525078723.db2.gz GJDGVMOBJIIEMU-MRXNPFEDSA-N 0 0 374.489 1.417 10 70 FDIERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000161086083 173730359 /nfs/dbraw/zinc/73/03/59/173730359.db2.gz LWPXZHNSJOUAAJ-HNNXBMFYSA-N 0 0 352.394 1.424 10 70 FDIERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(CC)(CC)C(=O)OC ZINC000160132638 524816069 /nfs/dbraw/zinc/81/60/69/524816069.db2.gz FEQRPVGLOHBJGG-GFCCVEGCSA-N 0 0 351.451 1.954 10 70 FDIERN COCc1csc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000160186488 524827550 /nfs/dbraw/zinc/82/75/50/524827550.db2.gz AJECQCCTIYSRPC-UHFFFAOYSA-N 0 0 364.475 1.763 10 70 FDIERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](CO)CC(C)C)C(C)C ZINC000160661197 524940914 /nfs/dbraw/zinc/94/09/14/524940914.db2.gz QMSQQUWCJYEPSY-WMLDXEAASA-N 0 0 350.459 1.973 10 70 FDIERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC(OCc2ccccc2)CC1 ZINC000161034674 525020971 /nfs/dbraw/zinc/02/09/71/525020971.db2.gz SOXWOOGORHFHTI-INIZCTEOSA-N 0 0 355.442 1.984 10 70 FDIERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000161082942 525031178 /nfs/dbraw/zinc/03/11/78/525031178.db2.gz RPSOQIJWSYCVKA-OAHLLOKOSA-N 0 0 360.462 1.027 10 70 FDIERN COCCCNC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161113780 525036714 /nfs/dbraw/zinc/03/67/14/525036714.db2.gz YOXTWHXPELRZCQ-HUUCEWRRSA-N 0 0 360.376 1.966 10 70 FDIERN CCOCCNC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161158315 525045195 /nfs/dbraw/zinc/04/51/95/525045195.db2.gz IXUIGWUPUIGWLB-HUUCEWRRSA-N 0 0 360.376 1.966 10 70 FDIERN CCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1COCCN1 ZINC000161225836 525060731 /nfs/dbraw/zinc/06/07/31/525060731.db2.gz HSRFVLPWEAJKNU-AWEZNQCLSA-N 0 0 357.248 1.665 10 70 FDIERN O=C(Nc1ccc(CCN2CCOCC2)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000161321886 525081363 /nfs/dbraw/zinc/08/13/63/525081363.db2.gz MYYSSIFHLYBFMS-QGZVFWFLSA-N 0 0 370.457 1.289 10 70 FDIERN O=C(c1cc(N2CCNC2=O)ccc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000159826784 173688977 /nfs/dbraw/zinc/68/89/77/173688977.db2.gz OGYHIAGZGNRIPS-CQSZACIVSA-N 0 0 373.388 1.093 10 70 FDIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000159932130 524771632 /nfs/dbraw/zinc/77/16/32/524771632.db2.gz VYXIOWHCFOIXLU-OAHLLOKOSA-N 0 0 371.441 1.422 10 70 FDIERN COC(=O)[C@H](c1cccnc1)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000159949993 524774607 /nfs/dbraw/zinc/77/46/07/524774607.db2.gz DDJBSOHDUSJHCR-SFHVURJKSA-N 0 0 357.458 1.464 10 70 FDIERN Cc1noc([C@@H]2COCCN2CC(=O)NCCOc2c(C)cccc2C)n1 ZINC000160799939 524973725 /nfs/dbraw/zinc/97/37/25/524973725.db2.gz UMXVNVAKWLCEIN-INIZCTEOSA-N 0 0 374.441 1.563 10 70 FDIERN Cn1cnc2cc(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)cnc21 ZINC000160927231 524998345 /nfs/dbraw/zinc/99/83/45/524998345.db2.gz YRFBZXALJGBGDT-JTQLQIEISA-N 0 0 355.320 1.251 10 70 FDIERN Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160930879 524998547 /nfs/dbraw/zinc/99/85/47/524998547.db2.gz XQXAMQLBKCRINQ-CQSZACIVSA-N 0 0 356.430 1.560 10 70 FDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000160948970 525001562 /nfs/dbraw/zinc/00/15/62/525001562.db2.gz UGFMWUSFPRJPPD-LBPRGKRZSA-N 0 0 361.402 1.657 10 70 FDIERN CCC[C@@H](NC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)OC(C)(C)C ZINC000161327041 525081933 /nfs/dbraw/zinc/08/19/33/525081933.db2.gz XXLOZYDWEMQEIA-CYBMUJFWSA-N 0 0 362.430 1.500 10 70 FDIERN O=C(CCC1CCCC1)N1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000161333345 525082304 /nfs/dbraw/zinc/08/23/04/525082304.db2.gz YTPVFVZZGGQEDD-MRXNPFEDSA-N 0 0 374.489 1.417 10 70 FDIERN C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161371885 525094319 /nfs/dbraw/zinc/09/43/19/525094319.db2.gz IYNOOKBOTRLNDW-DGCLKSJQSA-N 0 0 353.825 1.995 10 70 FDIERN O=C([C@@H]1CCn2ccnc2C1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000161447892 525110943 /nfs/dbraw/zinc/11/09/43/525110943.db2.gz TZDJBEVAOAJOAU-QZTJIDSGSA-N 0 0 354.454 1.323 10 70 FDIERN COc1cc(CN(C(=O)N[C@@H]2CCc3ncnn3C2)C2CC2)ccc1O ZINC000161153804 258263549 /nfs/dbraw/zinc/26/35/49/258263549.db2.gz XXRPXGMGNOUGSD-CYBMUJFWSA-N 0 0 357.414 1.681 10 70 FDIERN CC(C)COc1ccc([C@@H](C)NC(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000159594617 173682684 /nfs/dbraw/zinc/68/26/84/173682684.db2.gz UHBRVWODSQNZKY-CQSZACIVSA-N 0 0 369.425 1.803 10 70 FDIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC(c3nncn3C)CC1)CC2 ZINC000161387120 173740247 /nfs/dbraw/zinc/74/02/47/173740247.db2.gz KISCUXIIDCTKPK-AWEZNQCLSA-N 0 0 372.477 1.434 10 70 FDIERN C[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)c1ccc(S(N)(=O)=O)cc1 ZINC000159652513 524714691 /nfs/dbraw/zinc/71/46/91/524714691.db2.gz IFICWOBFXILUJR-QMMMGPOBSA-N 0 0 374.344 1.634 10 70 FDIERN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)CC[C@@H](C)O ZINC000159914535 524766261 /nfs/dbraw/zinc/76/62/61/524766261.db2.gz VZSIYMRUCOVLIB-LLVKDONJSA-N 0 0 371.393 1.423 10 70 FDIERN O=C(c1cnc(C(F)(F)F)nc1)N1CCCN(c2cccnn2)CC1 ZINC000160620872 524931360 /nfs/dbraw/zinc/93/13/60/524931360.db2.gz ISLMFRXRNVQKRX-UHFFFAOYSA-N 0 0 352.320 1.638 10 70 FDIERN O=C(NC1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1)c1ccccc1 ZINC000160947076 525003215 /nfs/dbraw/zinc/00/32/15/525003215.db2.gz OUOZARBMQNIWFH-INIZCTEOSA-N 0 0 368.441 1.197 10 70 FDIERN O=C(N[C@H]1CCc2ncnn2C1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000161027433 525018265 /nfs/dbraw/zinc/01/82/65/525018265.db2.gz CZZDRQICQWEGCF-AWEZNQCLSA-N 0 0 374.470 1.212 10 70 FDIERN CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161030718 525019578 /nfs/dbraw/zinc/01/95/78/525019578.db2.gz HPNAKMUEDHIXOJ-OAHLLOKOSA-N 0 0 356.430 1.800 10 70 FDIERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCNc1ccc(C)cn1 ZINC000161032795 525020574 /nfs/dbraw/zinc/02/05/74/525020574.db2.gz APRNBOYTDGAYJQ-AWEZNQCLSA-N 0 0 373.461 1.764 10 70 FDIERN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000161267423 525068236 /nfs/dbraw/zinc/06/82/36/525068236.db2.gz ZBUCWWVGOOEOJZ-GFCCVEGCSA-N 0 0 374.832 1.960 10 70 FDIERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1c(CC)nn(C)c1CC)CC2 ZINC000161279499 525071701 /nfs/dbraw/zinc/07/17/01/525071701.db2.gz YYAWHUYNNFMGFE-LBPRGKRZSA-N 0 0 359.478 1.513 10 70 FDIERN O=C(N[C@H]1CCc2ncnn2C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000161343163 525084776 /nfs/dbraw/zinc/08/47/76/525084776.db2.gz NDMVFZVOTYVCOO-UKTKYZJWSA-N 0 0 366.469 1.634 10 70 FDIERN Cc1ccn2c(c1)ncc(C(=O)N1CC[C@H](Oc3cccnc3)C1)c2=O ZINC000161430805 525107074 /nfs/dbraw/zinc/10/70/74/525107074.db2.gz JCTRXOPLWILQQO-HNNXBMFYSA-N 0 0 350.378 1.691 10 70 FDIERN COc1ccc(Br)c(CC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000160333190 524860959 /nfs/dbraw/zinc/86/09/59/524860959.db2.gz NBBHIUIJXCSYIV-NSHDSACASA-N 0 0 365.231 1.723 10 70 FDIERN COCCN1CCN(C(=O)C(=O)Nc2cnc(Cl)cc2C)C[C@H]1C ZINC000160362917 524868195 /nfs/dbraw/zinc/86/81/95/524868195.db2.gz UBKOWQJKEIERGP-GFCCVEGCSA-N 0 0 354.838 1.161 10 70 FDIERN CCOCCNC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161158458 525045513 /nfs/dbraw/zinc/04/55/13/525045513.db2.gz IXUIGWUPUIGWLB-LSDHHAIUSA-N 0 0 360.376 1.966 10 70 FDIERN COC(=O)c1[nH]c(C)c(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1C ZINC000161174690 525048535 /nfs/dbraw/zinc/04/85/35/525048535.db2.gz CVIFLWCILXSFGG-AWEZNQCLSA-N 0 0 371.441 1.949 10 70 FDIERN Cc1noc([C@H]2COCCN2CC(=O)Nc2nnc(C(C)(C)C)s2)n1 ZINC000161168243 525048661 /nfs/dbraw/zinc/04/86/61/525048661.db2.gz YOERROUKQGZIQT-SNVBAGLBSA-N 0 0 366.447 1.539 10 70 FDIERN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161202066 525053667 /nfs/dbraw/zinc/05/36/67/525053667.db2.gz GHKVXKWSMXBBSE-INIZCTEOSA-N 0 0 370.457 1.526 10 70 FDIERN O=C(CCC1CCCC1)N1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000161333441 525082803 /nfs/dbraw/zinc/08/28/03/525082803.db2.gz YTPVFVZZGGQEDD-INIZCTEOSA-N 0 0 374.489 1.417 10 70 FDIERN Cc1c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cnn1-c1ccccc1 ZINC000161366074 525094778 /nfs/dbraw/zinc/09/47/78/525094778.db2.gz CJMTYWGXBYFPLY-RHSMWYFYSA-N 0 0 356.426 1.787 10 70 FDIERN COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000161466035 525114400 /nfs/dbraw/zinc/11/44/00/525114400.db2.gz RSRWOADTQGIPCE-GDBMZVCRSA-N 0 0 373.457 1.758 10 70 FDIERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(Cc3ccccn3)CC1)CC2 ZINC000160232500 173704021 /nfs/dbraw/zinc/70/40/21/173704021.db2.gz QJBSJYMTSWEQMM-INIZCTEOSA-N 0 0 369.473 1.078 10 70 FDIERN NC(=O)CNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000160807571 173722911 /nfs/dbraw/zinc/72/29/11/173722911.db2.gz OBISTXJFZLLLFQ-IAGOWNOFSA-N 0 0 357.454 1.734 10 70 FDIERN Cc1noc([C@H]2COCCN2CC(=O)NCCCOC2CCCCC2)n1 ZINC000160930809 173725527 /nfs/dbraw/zinc/72/55/27/173725527.db2.gz CBNCLYWJVHVEDC-MRXNPFEDSA-N 0 0 366.462 1.607 10 70 FDIERN CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000160917882 173725577 /nfs/dbraw/zinc/72/55/77/173725577.db2.gz LNFUUZVTUABBQN-SWLSCSKDSA-N 0 0 356.430 1.943 10 70 FDIERN O=C(Nc1ccccc1CN1CCOCC1)N[C@H]1CCc2ncnn2C1 ZINC000160923837 173725581 /nfs/dbraw/zinc/72/55/81/173725581.db2.gz URIRWQQKCQQNCB-HNNXBMFYSA-N 0 0 356.430 1.247 10 70 FDIERN Cc1conc1NC(=O)C(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000161177174 173732094 /nfs/dbraw/zinc/73/20/94/173732094.db2.gz OFJYEHLTRMYUDK-UHFFFAOYSA-N 0 0 369.381 1.720 10 70 FDIERN COc1cccc([C@@H](O)CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000161465908 173742815 /nfs/dbraw/zinc/74/28/15/173742815.db2.gz 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Cc1noc([C@H]2COCCN2CC(=O)NCCc2ccc(Cl)cc2)n1 ZINC000160765737 524966037 /nfs/dbraw/zinc/96/60/37/524966037.db2.gz FTQRXQYKCNTWTA-OAHLLOKOSA-N 0 0 364.833 1.764 10 70 FDIERN COc1cccc(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)c1 ZINC000160947767 525002533 /nfs/dbraw/zinc/00/25/33/525002533.db2.gz LJRVAXFUSIMCOG-CQSZACIVSA-N 0 0 356.430 1.133 10 70 FDIERN COC(=O)CCNC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160985772 525010662 /nfs/dbraw/zinc/01/06/62/525010662.db2.gz BXTFEDASOZTOQU-ZIAGYGMSSA-N 0 0 374.359 1.492 10 70 FDIERN CCOCc1ccc(CNC(=O)CN2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000161047821 525022347 /nfs/dbraw/zinc/02/23/47/525022347.db2.gz LZSPWYWBRFGEMZ-KRWDZBQOSA-N 0 0 374.441 1.604 10 70 FDIERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000161064263 525026720 /nfs/dbraw/zinc/02/67/20/525026720.db2.gz JAWZFBLZATWFGF-AEFFLSMTSA-N 0 0 373.432 1.887 10 70 FDIERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)CC2 ZINC000161277471 525070081 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CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000160078966 524803275 /nfs/dbraw/zinc/80/32/75/524803275.db2.gz KKNAIZCBKOXGAO-HNNXBMFYSA-N 0 0 361.467 1.772 10 70 FDIERN CNC(=O)COc1cccc(CC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000160094640 524806539 /nfs/dbraw/zinc/80/65/39/524806539.db2.gz OUKLIUSEEDVEMZ-MRXNPFEDSA-N 0 0 356.426 1.242 10 70 FDIERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)CC2 ZINC000160551096 524914586 /nfs/dbraw/zinc/91/45/86/524914586.db2.gz AHEDWGVJMJPJNE-VIFPVBQESA-N 0 0 357.340 1.736 10 70 FDIERN CC(C)C[C@@H](CO)NC(=O)C1CCC(C(=O)N[C@H](CO)CC(C)C)CC1 ZINC000160784056 524971725 /nfs/dbraw/zinc/97/17/25/524971725.db2.gz VVPIXWBEBRVTBU-FOIPXRHGSA-N 0 0 370.534 1.839 10 70 FDIERN Cn1cnc(-c2ccc(NC(=O)N3CCO[C@@H](Cn4cccn4)C3)cc2)n1 ZINC000160889014 524991184 /nfs/dbraw/zinc/99/11/84/524991184.db2.gz CYJSCTOWXYXHLG-MRXNPFEDSA-N 0 0 367.413 1.612 10 70 FDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000160973691 525005947 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O=C(NCc1cccnc1N1CCOCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000159580072 524702046 /nfs/dbraw/zinc/70/20/46/524702046.db2.gz ALLCQKPIPWSZCZ-FXAWDEMLSA-N 0 0 374.485 1.755 10 70 FDIERN COc1ccc(Br)c(CC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000159588067 524704309 /nfs/dbraw/zinc/70/43/09/524704309.db2.gz NECMGRQDELWAJV-CYBMUJFWSA-N 0 0 357.248 1.447 10 70 FDIERN Cc1nnc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)Nc2nnc(C)s2)s1 ZINC000159613986 524708412 /nfs/dbraw/zinc/70/84/12/524708412.db2.gz LVNIYYWEWZMOAC-DTORHVGOSA-N 0 0 352.445 2.000 10 70 FDIERN CC[C@@H](O)CN1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000159717965 524727397 /nfs/dbraw/zinc/72/73/97/524727397.db2.gz XQVHLUSXHRLEHC-CABCVRRESA-N 0 0 370.291 1.364 10 70 FDIERN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159747082 524730599 /nfs/dbraw/zinc/73/05/99/524730599.db2.gz SLGBKPMZJVHFBH-GFCCVEGCSA-N 0 0 359.352 1.462 10 70 FDIERN Cn1nccc1C1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000159748039 524731722 /nfs/dbraw/zinc/73/17/22/524731722.db2.gz 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