smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc2c(cccc2S(=O)(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000159426987 508840627 /nfs/dbraw/zinc/84/06/27/508840627.db2.gz FKSGCXNMPCDPOU-UHFFFAOYSA-N 0 0 370.478 2.841 10 70 FFIERN COCC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1)C(C)C ZINC000159600581 508863476 /nfs/dbraw/zinc/86/34/76/508863476.db2.gz KPFUSNKPMLHVJF-BEFAXECRSA-N 0 0 364.486 2.686 10 70 FFIERN Cn1cnc2cc(C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)cnc21 ZINC000159687312 508875888 /nfs/dbraw/zinc/87/58/88/508875888.db2.gz ZHEIZFFLVVWEDS-UHFFFAOYSA-N 0 0 369.388 2.955 10 70 FFIERN COc1cc(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)ccc1O ZINC000159693098 508876486 /nfs/dbraw/zinc/87/64/86/508876486.db2.gz QZFIEUKAIIZAKD-JTQLQIEISA-N 0 0 369.343 2.564 10 70 FFIERN CC(C)COc1ccc([C@H](C)NC(=O)CCSc2nnnn2C)cc1 ZINC000159811833 508894782 /nfs/dbraw/zinc/89/47/82/508894782.db2.gz NMXZZEKTPWVKGZ-ZDUSSCGKSA-N 0 0 363.487 2.605 10 70 FFIERN Cc1ccccc1[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)[C@@H](C)CO1 ZINC000159902684 508909265 /nfs/dbraw/zinc/90/92/65/508909265.db2.gz QKVMJCNZXGEPIT-KBXCAEBGSA-N 0 0 350.422 2.879 10 70 FFIERN Cc1nc(CN2CCCN(Cc3noc(C4CCCCC4)n3)CC2)no1 ZINC000159953627 508916543 /nfs/dbraw/zinc/91/65/43/508916543.db2.gz CZIQBGXHUYCWSL-UHFFFAOYSA-N 0 0 360.462 2.517 10 70 FFIERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCCC(=O)OC(C)C ZINC000160081605 508935654 /nfs/dbraw/zinc/93/56/54/508935654.db2.gz JIUIOJVIJBGXSQ-OAHLLOKOSA-N 0 0 350.463 2.615 10 70 FFIERN CCOc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1OC ZINC000160185739 508951453 /nfs/dbraw/zinc/95/14/53/508951453.db2.gz PVVZSOGLKMANQT-UZLBHIALSA-N 0 0 362.470 2.931 10 70 FFIERN Cn1cc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c(-c2cccs2)n1 ZINC000160230060 508957761 /nfs/dbraw/zinc/95/77/61/508957761.db2.gz OQPHXMAXWZUGOK-CQSZACIVSA-N 0 0 354.435 2.837 10 70 FFIERN Cn1cnnc1[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccccc1F ZINC000160425446 508985396 /nfs/dbraw/zinc/98/53/96/508985396.db2.gz QZVGRWQYHRYOHF-OAHLLOKOSA-N 0 0 369.404 2.568 10 70 FFIERN CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1Br ZINC000160444398 508987904 /nfs/dbraw/zinc/98/79/04/508987904.db2.gz GCPXIIIRUJQLHQ-QWRGUYRKSA-N 0 0 356.264 2.722 10 70 FFIERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000160557498 509003110 /nfs/dbraw/zinc/00/31/10/509003110.db2.gz GQVMTGRNURTRAY-ZUZCIYMTSA-N 0 0 369.799 2.938 10 70 FFIERN COC(=O)CCCc1nnc(NC(=O)N[C@H](C)c2ccc(C)o2)s1 ZINC000160737094 509026835 /nfs/dbraw/zinc/02/68/35/509026835.db2.gz IPGBXOBYHZJHOA-SNVBAGLBSA-N 0 0 352.416 2.818 10 70 FFIERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000160814874 509036547 /nfs/dbraw/zinc/03/65/47/509036547.db2.gz QBWIRKWNSKEBHB-QRVBRYPASA-N 0 0 373.497 2.997 10 70 FFIERN CCC[C@@H](C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1)C(C)C ZINC000160934392 509050680 /nfs/dbraw/zinc/05/06/80/509050680.db2.gz DYUIXKASHVUOCU-AZUAARDMSA-N 0 0 362.514 2.643 10 70 FFIERN COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1OC ZINC000161019152 509060478 /nfs/dbraw/zinc/06/04/78/509060478.db2.gz PHOVTPLPRHBYQL-STQMWFEESA-N 0 0 373.457 2.753 10 70 FFIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161063145 509066420 /nfs/dbraw/zinc/06/64/20/509066420.db2.gz DGLYPKFKWHFMFE-AWEZNQCLSA-N 0 0 357.410 2.903 10 70 FFIERN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)cc1N ZINC000161165265 509079572 /nfs/dbraw/zinc/07/95/72/509079572.db2.gz ITMNHZKDMCTRAJ-SNVBAGLBSA-N 0 0 361.348 2.547 10 70 FFIERN CC1CCN(c2ccc(NC(=O)N[C@H]3CCc4ncnn4C3)cc2)CC1 ZINC000161225706 509088981 /nfs/dbraw/zinc/08/89/81/509088981.db2.gz GYKAYUURJCAVKH-INIZCTEOSA-N 0 0 354.458 2.651 10 70 FFIERN COc1ccccc1N1CC[C@H](NC(=O)[C@]2(C)CC2(Cl)Cl)C1=O ZINC000161269421 509094916 /nfs/dbraw/zinc/09/49/16/509094916.db2.gz PCGXRJUFIYMUSV-BONVTDFDSA-N 0 0 357.237 2.501 10 70 FFIERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(C(=O)NC(C)C)cc3)CCO2)o1 ZINC000161329631 509102829 /nfs/dbraw/zinc/10/28/29/509102829.db2.gz ODOQWZLLFXQSHQ-SFHVURJKSA-N 0 0 356.422 2.940 10 70 FFIERN COCCCNC(=O)C1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000161367025 509107723 /nfs/dbraw/zinc/10/77/23/509107723.db2.gz PKWOBMQRQFRDDT-MSOLQXFVSA-N 0 0 350.503 2.594 10 70 FFIERN CCCN(C[C@@H]1CCCCO1)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161409276 509112117 /nfs/dbraw/zinc/11/21/17/509112117.db2.gz RPORIXYHFBTXMW-HOTGVXAUSA-N 0 0 363.506 2.707 10 70 FFIERN CCc1noc([C@@H](C)N2CCN(CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000159383283 508834279 /nfs/dbraw/zinc/83/42/79/508834279.db2.gz GFJWYNPMUHAWRE-MRXNPFEDSA-N 0 0 356.470 2.892 10 70 FFIERN CCS(=O)(=O)N(C)C1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159402147 508837459 /nfs/dbraw/zinc/83/74/59/508837459.db2.gz GZIJZWKIQRZGCK-UHFFFAOYSA-N 0 0 369.437 2.763 10 70 FFIERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1(Cc2ccccc2)CC1 ZINC000159405333 508837639 /nfs/dbraw/zinc/83/76/39/508837639.db2.gz XOQVMMHMZNKJOS-INIZCTEOSA-N 0 0 369.469 2.582 10 70 FFIERN CN(C)c1nccc(N2CCN(c3ccnc4c(F)cc(F)cc34)CC2)n1 ZINC000159586696 508862452 /nfs/dbraw/zinc/86/24/52/508862452.db2.gz CNHLHNANKJPPNI-UHFFFAOYSA-N 0 0 370.407 2.696 10 70 FFIERN CCc1nc([C@H](C)NC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cs1 ZINC000159669796 508873650 /nfs/dbraw/zinc/87/36/50/508873650.db2.gz PAHOERWYAYPRES-RYUDHWBXSA-N 0 0 362.503 2.796 10 70 FFIERN C[S@](=O)c1ccc(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000159700710 508877152 /nfs/dbraw/zinc/87/71/52/508877152.db2.gz RBOPDIYLHLVIPE-OLUQVHSISA-N 0 0 371.384 2.910 10 70 FFIERN CC(C)CCn1ccc(NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000159706881 508877924 /nfs/dbraw/zinc/87/79/24/508877924.db2.gz NKARLZJBEUHRQT-MRXNPFEDSA-N 0 0 371.489 2.852 10 70 FFIERN C[C@H]1CN(c2ccccc2NC(=O)c2cnc3c(c2)ncn3C)C[C@H](C)O1 ZINC000159709137 508879176 /nfs/dbraw/zinc/87/91/76/508879176.db2.gz ZYKWLAVUIJKFQE-KBPBESRZSA-N 0 0 365.437 2.834 10 70 FFIERN CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C(=O)OC)cs2)cc1 ZINC000159791737 508892202 /nfs/dbraw/zinc/89/22/02/508892202.db2.gz RFRPNVNDMPHYOV-LLVKDONJSA-N 0 0 360.435 2.913 10 70 FFIERN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1ccnc2c(F)cc(F)cc12 ZINC000159942751 508915207 /nfs/dbraw/zinc/91/52/07/508915207.db2.gz NRDHMBODXZCUMY-IINYFYTJSA-N 0 0 355.410 2.643 10 70 FFIERN FC(F)(F)Oc1cccc(CCN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000159986949 508920980 /nfs/dbraw/zinc/92/09/80/508920980.db2.gz RXIQEOBUIDULFY-MRXNPFEDSA-N 0 0 355.360 2.725 10 70 FFIERN Cn1cc([C@@H]2CCCN2C(=O)NCCc2nnc(-c3ccccc3)o2)cn1 ZINC000160059786 508932317 /nfs/dbraw/zinc/93/23/17/508932317.db2.gz BXDPSOYELJMARZ-INIZCTEOSA-N 0 0 366.425 2.559 10 70 FFIERN Cc1ccc(-c2nc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)n[nH]2)o1 ZINC000160164419 508948260 /nfs/dbraw/zinc/94/82/60/508948260.db2.gz AIAHYZNUFGPDCJ-CYBMUJFWSA-N 0 0 369.406 2.815 10 70 FFIERN CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)cc1 ZINC000160173099 508949174 /nfs/dbraw/zinc/94/91/74/508949174.db2.gz FOVUUDJMQNRCFN-YRYLYKBFSA-N 0 0 365.433 2.524 10 70 FFIERN CCOc1ccc(CNC(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1OC ZINC000160187901 508951242 /nfs/dbraw/zinc/95/12/42/508951242.db2.gz LXZHHBRHGACEGO-ZDUSSCGKSA-N 0 0 373.457 2.582 10 70 FFIERN CC(C)CC(=O)N[C@H](C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1)C(C)C ZINC000160190937 508952213 /nfs/dbraw/zinc/95/22/13/508952213.db2.gz FNACMSVWMWERIO-POAQFYNOSA-N 0 0 362.514 2.844 10 70 FFIERN O=C(c1ncn(-c2ccccc2)n1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000160299613 508966658 /nfs/dbraw/zinc/96/66/58/508966658.db2.gz FOAJNNNWKZSKMF-RTBURBONSA-N 0 0 362.433 2.996 10 70 FFIERN CC(C)COc1ccc([C@@H](C)NC(=O)N[C@H](C)CN2CCOCC2)cc1 ZINC000160312940 508969243 /nfs/dbraw/zinc/96/92/43/508969243.db2.gz QNGJPCIPOXTWCX-IAGOWNOFSA-N 0 0 363.502 2.802 10 70 FFIERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)C2)n1 ZINC000160441114 508987464 /nfs/dbraw/zinc/98/74/64/508987464.db2.gz BUJKXPUJXUBANK-SJCJKPOMSA-N 0 0 358.490 2.667 10 70 FFIERN CCn1cc(C2CCN([C@H](C)c3nnnn3-c3ccccc3)CC2)cn1 ZINC000160470716 508991345 /nfs/dbraw/zinc/99/13/45/508991345.db2.gz RHNYBMIIJUGIDD-OAHLLOKOSA-N 0 0 351.458 2.819 10 70 FFIERN O=C(Nc1ccnn1Cc1ccccc1F)N[C@@H]1c2ccccc2C[C@H]1O ZINC000160475428 508992563 /nfs/dbraw/zinc/99/25/63/508992563.db2.gz GJLKBVCAGLBXHC-IEBWSBKVSA-N 0 0 366.396 2.850 10 70 FFIERN CC(C)C[C@@H](C)S(=O)(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000160504222 508995687 /nfs/dbraw/zinc/99/56/87/508995687.db2.gz BLFRIQHDYUMNRP-MRXNPFEDSA-N 0 0 366.527 2.893 10 70 FFIERN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccnn1Cc1cccs1 ZINC000160531008 508999628 /nfs/dbraw/zinc/99/96/28/508999628.db2.gz QHMKBXBTTOLUAF-BEFAXECRSA-N 0 0 374.510 2.558 10 70 FFIERN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2cnc3c(c2)ncn3C)o1 ZINC000160568862 509004316 /nfs/dbraw/zinc/00/43/16/509004316.db2.gz LHBREHLLGLVREV-QGZVFWFLSA-N 0 0 374.404 2.600 10 70 FFIERN Cc1cc(N2CCOCC2)ccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160842638 509039100 /nfs/dbraw/zinc/03/91/00/509039100.db2.gz OCWKBKSQQGDKIR-UTKZUKDTSA-N 0 0 373.497 2.991 10 70 FFIERN O[C@@]12CCCC[C@@H]1CN(Cc1nc(COc3ccc(F)cc3)no1)CC2 ZINC000160857192 509040518 /nfs/dbraw/zinc/04/05/18/509040518.db2.gz FQQCALAVTFDQOR-AUUYWEPGSA-N 0 0 361.417 2.915 10 70 FFIERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160869470 509041703 /nfs/dbraw/zinc/04/17/03/509041703.db2.gz NZSKAJPIWHFCLY-FHWLQOOXSA-N 0 0 373.497 2.949 10 70 FFIERN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC(n2cncn2)CC1 ZINC000160900343 509045664 /nfs/dbraw/zinc/04/56/64/509045664.db2.gz MQKADWQBFPJSIQ-AEFFLSMTSA-N 0 0 355.442 2.545 10 70 FFIERN C[C@H](CNC(=O)c1cnc2c(c1)ncn2C)c1nc(-c2ccccc2)no1 ZINC000161012478 509060205 /nfs/dbraw/zinc/06/02/05/509060205.db2.gz RXFYRQKBUJPNEP-GFCCVEGCSA-N 0 0 362.393 2.552 10 70 FFIERN Cc1noc([C@H]2COCCN2CCOc2ccccc2C(F)(F)F)n1 ZINC000161038849 509063149 /nfs/dbraw/zinc/06/31/49/509063149.db2.gz WVEMFXMRBASAPG-CYBMUJFWSA-N 0 0 357.332 2.849 10 70 FFIERN Cc1noc([C@@H]2COCCN2CCOc2ccc(C(F)(F)F)cc2)n1 ZINC000161042335 509063844 /nfs/dbraw/zinc/06/38/44/509063844.db2.gz YUMLYDXQEMNBKF-AWEZNQCLSA-N 0 0 357.332 2.849 10 70 FFIERN CC(C)[C@@H](O)CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000161072240 509067468 /nfs/dbraw/zinc/06/74/68/509067468.db2.gz KGTRHBNHHFJPLX-CVEARBPZSA-N 0 0 350.459 2.776 10 70 FFIERN COc1ccc(NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1N ZINC000161199804 509085030 /nfs/dbraw/zinc/08/50/30/509085030.db2.gz PFJCNJSKQBKKPH-CQSZACIVSA-N 0 0 359.813 2.922 10 70 FFIERN O=C(Nc1ccccc1COc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000161265697 509093867 /nfs/dbraw/zinc/09/38/67/509093867.db2.gz HUABYLKWGFXKKW-INIZCTEOSA-N 0 0 363.421 2.994 10 70 FFIERN CCCC[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C(=O)OC(C)(C)C ZINC000161268423 509094765 /nfs/dbraw/zinc/09/47/65/509094765.db2.gz JJASNIHIJGOQPY-ZBFHGGJFSA-N 0 0 354.491 2.650 10 70 FFIERN CCC[C@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1)C(=O)OC(C)(C)C ZINC000161407798 509112468 /nfs/dbraw/zinc/11/24/68/509112468.db2.gz TUVODQNCJIWDOM-STQMWFEESA-N 0 0 366.424 2.887 10 70 FFIERN C[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000161455729 509117146 /nfs/dbraw/zinc/11/71/46/509117146.db2.gz MMZHZGIZWXXATJ-SJORKVTESA-N 0 0 374.481 2.568 10 70 FFIERN COc1ccc([C@@H](C)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)cc1 ZINC000161477630 509119884 /nfs/dbraw/zinc/11/98/84/509119884.db2.gz MNAOYSMDFXKHHZ-CYBMUJFWSA-N 0 0 362.451 2.833 10 70 FFIERN CCCOc1cccc(NC(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)c1 ZINC000159423107 508839859 /nfs/dbraw/zinc/83/98/59/508839859.db2.gz MUEIBAPTWVXPHR-HNNXBMFYSA-N 0 0 359.430 2.761 10 70 FFIERN NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000159448002 508843496 /nfs/dbraw/zinc/84/34/96/508843496.db2.gz ANVWIXNKQZORIY-AABGKKOBSA-N 0 0 369.509 2.574 10 70 FFIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1CCc3ccccc31)CC2 ZINC000159602568 508864389 /nfs/dbraw/zinc/86/43/89/508864389.db2.gz BDBIWTGAEJLGAW-CVEARBPZSA-N 0 0 353.470 2.746 10 70 FFIERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159645592 508870172 /nfs/dbraw/zinc/87/01/72/508870172.db2.gz BJEXRZKWZGCSCI-KZULUSFZSA-N 0 0 364.449 2.937 10 70 FFIERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159850971 508900123 /nfs/dbraw/zinc/90/01/23/508900123.db2.gz FOFSUWNRRDFCDR-HOTGVXAUSA-N 0 0 359.470 2.987 10 70 FFIERN O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000159918548 508911129 /nfs/dbraw/zinc/91/11/29/508911129.db2.gz HXRXZVFZOYAFNZ-OXJNMPFZSA-N 0 0 370.453 2.616 10 70 FFIERN COC(=O)c1nccc2c1cccc2S(=O)(=O)N[C@@H](C)c1ccc(C)o1 ZINC000160181211 508950775 /nfs/dbraw/zinc/95/07/75/508950775.db2.gz NHMYFZIELSDRRP-LBPRGKRZSA-N 0 0 374.418 2.962 10 70 FFIERN Cc1nc(NC(=O)c2cccc(C(=O)N3CCCC3)n2)cc(C2CC2)n1 ZINC000160205745 508954296 /nfs/dbraw/zinc/95/42/96/508954296.db2.gz HFFQKKGUOIUJMT-UHFFFAOYSA-N 0 0 351.410 2.546 10 70 FFIERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)C2)n1 ZINC000160441372 508987680 /nfs/dbraw/zinc/98/76/80/508987680.db2.gz BUJKXPUJXUBANK-YVEFUNNKSA-N 0 0 358.490 2.667 10 70 FFIERN CC(=O)Nc1ccc(CCNC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000160759562 509029799 /nfs/dbraw/zinc/02/97/99/509029799.db2.gz HUJIBSBPFOTELW-LJQANCHMSA-N 0 0 371.437 2.872 10 70 FFIERN C[C@H](CC(=O)NC[C@H](C)N1CCOCC1)c1ccc(Br)cc1 ZINC000160831802 509038031 /nfs/dbraw/zinc/03/80/31/509038031.db2.gz OGKJJWSAIFUKIE-KGLIPLIRSA-N 0 0 369.303 2.780 10 70 FFIERN COC(=O)c1csc(NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000160899353 509044844 /nfs/dbraw/zinc/04/48/44/509044844.db2.gz SQRIXQGHJKWRHW-AWEZNQCLSA-N 0 0 371.422 2.872 10 70 FFIERN CCn1cc(C2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cn1 ZINC000161055520 509065257 /nfs/dbraw/zinc/06/52/57/509065257.db2.gz GIPRYZKQVVMENE-KSZLIROESA-N 0 0 358.486 2.750 10 70 FFIERN CCn1cc(C2CCN(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cn1 ZINC000161055760 509065342 /nfs/dbraw/zinc/06/53/42/509065342.db2.gz GIPRYZKQVVMENE-KURKYZTESA-N 0 0 358.486 2.750 10 70 FFIERN COc1ccc(CN(C(=O)N[C@@H]2CCc3ncnn3C2)[C@H](C)C2CC2)cc1 ZINC000161146970 509077382 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Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1C ZINC000159525802 508852952 /nfs/dbraw/zinc/85/29/52/508852952.db2.gz KKSMTFYXBJQJIS-QZTJIDSGSA-N 0 0 370.449 2.741 10 70 FFIERN O=C(NCc1ccc(N2CCCC2)nc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159544399 508856476 /nfs/dbraw/zinc/85/64/76/508856476.db2.gz CSSDHTSSQGOPMP-YLJYHZDGSA-N 0 0 358.486 2.518 10 70 FFIERN Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(Br)n1 ZINC000159760266 508886301 /nfs/dbraw/zinc/88/63/01/508886301.db2.gz BYNSYAKRMAAUDU-BLLLJJGKSA-N 0 0 353.260 2.920 10 70 FFIERN Fc1cccc(F)c1-c1csc(CN2CC[C@@H](N3CCOCC3)C2)n1 ZINC000159825651 508896715 /nfs/dbraw/zinc/89/67/15/508896715.db2.gz DIVUXGYHMNKFTI-CYBMUJFWSA-N 0 0 365.449 2.995 10 70 FFIERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)Cc1ccc(C)cc1C ZINC000159884072 508906129 /nfs/dbraw/zinc/90/61/29/508906129.db2.gz YHXJSDVIVAACMR-RDJZCZTQSA-N 0 0 371.485 2.807 10 70 FFIERN C[C@@H](C(=O)N1CCCC1)N1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159933084 508913331 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2.518 10 70 FFIERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000159600512 508863894 /nfs/dbraw/zinc/86/38/94/508863894.db2.gz NYNGSYFSCBDTSR-HUUCEWRRSA-N 0 0 352.475 2.851 10 70 FFIERN C[S@@](=O)c1ccc(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000159700578 508877400 /nfs/dbraw/zinc/87/74/00/508877400.db2.gz RBOPDIYLHLVIPE-USOBGDSLSA-N 0 0 371.384 2.910 10 70 FFIERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H](C)Cc3ccccc3F)CCO2)n1 ZINC000159715097 508879915 /nfs/dbraw/zinc/87/99/15/508879915.db2.gz LDALCTAWLALERL-RDTXWAMCSA-N 0 0 359.445 2.745 10 70 FFIERN CC(C)(C)c1nc2ccc(NC(=O)C3CC4(C3)NC(=O)NC4=O)cc2s1 ZINC000159779030 508889598 /nfs/dbraw/zinc/88/95/98/508889598.db2.gz DWDXXEPCHWISFH-UHFFFAOYSA-N 0 0 372.450 2.521 10 70 FFIERN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1ccnc2c(F)cc(F)cc12 ZINC000159942604 508915034 /nfs/dbraw/zinc/91/50/34/508915034.db2.gz NRDHMBODXZCUMY-YGRLFVJLSA-N 0 0 355.410 2.643 10 70 FFIERN Cc1conc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000160029867 508927397 /nfs/dbraw/zinc/92/73/97/508927397.db2.gz MOOYMHYTNCECCS-SECBINFHSA-N 0 0 352.188 2.561 10 70 FFIERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000160045554 508929723 /nfs/dbraw/zinc/92/97/23/508929723.db2.gz IUMHXMDKRXROIY-JZXOWHBKSA-N 0 0 369.465 2.868 10 70 FFIERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2C)C1 ZINC000160146616 508945211 /nfs/dbraw/zinc/94/52/11/508945211.db2.gz PLHAJGYYVPKFQL-KRWDZBQOSA-N 0 0 366.465 2.973 10 70 FFIERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000160413013 508983884 /nfs/dbraw/zinc/98/38/84/508983884.db2.gz KNTOXBRKDGUQAT-NVXWUHKLSA-N 0 0 358.486 2.803 10 70 FFIERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccn(CC(F)(F)F)n3)C2)c1 ZINC000160555080 509002161 /nfs/dbraw/zinc/00/21/61/509002161.db2.gz PPRQDDHODGGOPM-LBPRGKRZSA-N 0 0 356.352 2.819 10 70 FFIERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000160557260 509003172 /nfs/dbraw/zinc/00/31/72/509003172.db2.gz GQVMTGRNURTRAY-MEBBXXQBSA-N 0 0 369.799 2.938 10 70 FFIERN Cc1c(C)c(C)c(CNC(=O)N2CCC(N3CCNC3=O)CC2)c(C)c1C ZINC000160589762 509006560 /nfs/dbraw/zinc/00/65/60/509006560.db2.gz CJZJGROIMGOSAJ-UHFFFAOYSA-N 0 0 372.513 2.928 10 70 FFIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1oc2ccccc2c1C ZINC000160762080 509029668 /nfs/dbraw/zinc/02/96/68/509029668.db2.gz COUGKXOZUBCUBT-CQSZACIVSA-N 0 0 369.425 2.813 10 70 FFIERN CC(C)[C@@H](O)CC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000160812340 509035702 /nfs/dbraw/zinc/03/57/02/509035702.db2.gz QLYJGBNNIOGEMR-NSHDSACASA-N 0 0 354.756 2.656 10 70 FFIERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000160815143 509036288 /nfs/dbraw/zinc/03/62/88/509036288.db2.gz QBWIRKWNSKEBHB-OTWHNJEPSA-N 0 0 373.497 2.997 10 70 FFIERN Cc1nc(C)n(C[C@@H]2CCCN(Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000160871810 509042238 /nfs/dbraw/zinc/04/22/38/509042238.db2.gz HJAAPLXJVFZVNI-CQSZACIVSA-N 0 0 358.471 2.919 10 70 FFIERN CCCOc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1OCCC ZINC000160952584 509052486 /nfs/dbraw/zinc/05/24/86/509052486.db2.gz SGDYKYUDOFZDIT-HNNXBMFYSA-N 0 0 373.457 2.992 10 70 FFIERN Cc1nc(-c2ccc(NC(=O)N[C@H]3CCc4ncnn4C3)cc2)cs1 ZINC000161049405 509064572 /nfs/dbraw/zinc/06/45/72/509064572.db2.gz GXEIYWVOVJULBL-AWEZNQCLSA-N 0 0 354.439 2.847 10 70 FFIERN Cc1ccc(CCC2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)cc1 ZINC000161098869 509071497 /nfs/dbraw/zinc/07/14/97/509071497.db2.gz URTGJGRFXQJBAU-LJQANCHMSA-N 0 0 367.497 2.956 10 70 FFIERN O=C(/C=C/c1c(Cl)nc2sccn12)N[C@@H]1CCN(c2ccccn2)C1 ZINC000161208457 509086149 /nfs/dbraw/zinc/08/61/49/509086149.db2.gz GMJVUHITXQVZRH-ZYOFXKKJSA-N 0 0 373.869 2.853 10 70 FFIERN Cn1cnc(-c2ccc(NC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2)n1 ZINC000161372920 509108402 /nfs/dbraw/zinc/10/84/02/509108402.db2.gz LFZCDIZWBFSXLJ-DNVCBOLYSA-N 0 0 355.442 2.641 10 70 FFIERN CCC[C@H](NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)C(=O)OC(C)(C)C ZINC000161468559 509119116 /nfs/dbraw/zinc/11/91/16/509119116.db2.gz GOSWZACFMZRDKV-HIFRSBDPSA-N 0 0 373.457 2.528 10 70 FFIERN CCN(CCc1ccccc1)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161496876 509122258 /nfs/dbraw/zinc/12/22/58/509122258.db2.gz ACFRPJKBSJMATF-KRWDZBQOSA-N 0 0 355.486 2.991 10 70 FFIERN