smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC(C)C)c(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000159840068 206266474 /nfs/dbraw/zinc/26/64/74/206266474.db2.gz VSIMJJVIAXGBBG-LBPRGKRZSA-N 0 1 346.431 3.267 10 70 EGIEMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)C(=O)NCc1ccccc1 ZINC000161201313 206335076 /nfs/dbraw/zinc/33/50/76/206335076.db2.gz PFUJHWDXUZJWCI-GOEBONIOSA-N 0 1 342.487 3.302 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2cccc(Br)c2C)n[nH]1 ZINC000161218323 206335771 /nfs/dbraw/zinc/33/57/71/206335771.db2.gz YNUHLLHXSQDZIB-VIFPVBQESA-N 0 1 336.233 3.150 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)n[nH]1 ZINC000161454930 206350429 /nfs/dbraw/zinc/35/04/29/206350429.db2.gz ISFIFKHFMOMBQE-GFCCVEGCSA-N 0 1 335.835 3.115 10 70 EGIEMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCCC(C)(C)C2)CC1 ZINC000161263478 287156768 /nfs/dbraw/zinc/15/67/68/287156768.db2.gz LHJHBOLMYBMHTD-INIZCTEOSA-N 0 1 344.503 3.439 10 70 EGIEMN CCN1CCN(c2ccccc2NC(=O)c2cccc(C)c2O)CC1 ZINC000218508258 266194394 /nfs/dbraw/zinc/19/43/94/266194394.db2.gz WPCCJESQXVFCLP-UHFFFAOYSA-N 0 1 339.439 3.095 10 70 EGIEMN C[C@H](O)[C@@H]1CCCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159540415 455384025 /nfs/dbraw/zinc/38/40/25/455384025.db2.gz RMFFJFTWGNXZCB-HZMBPMFUSA-N 0 1 338.249 3.061 10 70 EGIEMN Cc1cccc2nc(CNC(=O)[C@H](C)Sc3ccccn3)[nH]c21 ZINC000160568973 455475934 /nfs/dbraw/zinc/47/59/34/455475934.db2.gz UWGHRGFXZSLWDW-LBPRGKRZSA-N 0 1 326.425 3.063 10 70 EGIEMN Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)n[nH]c3C(C)C)cn2)n1 ZINC000159895691 455413576 /nfs/dbraw/zinc/41/35/76/455413576.db2.gz MHQCBEWXKCUIGZ-UHFFFAOYSA-N 0 1 338.415 3.291 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000159905874 455414295 /nfs/dbraw/zinc/41/42/95/455414295.db2.gz QRHKGWLOPMINCK-OAHLLOKOSA-N 0 1 326.444 3.098 10 70 EGIEMN CC[C@H]1CN(Cc2ncc(-c3ccccc3)s2)CCN1C[C@@H](C)O ZINC000159914926 455415472 /nfs/dbraw/zinc/41/54/72/455415472.db2.gz HIBXGHDDXKXTGB-WBVHZDCISA-N 0 1 345.512 3.087 10 70 EGIEMN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160191961 455436202 /nfs/dbraw/zinc/43/62/02/455436202.db2.gz PFYYTIRNHWYOJS-IAGOWNOFSA-N 0 1 328.481 3.415 10 70 EGIEMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)n2)o1 ZINC000160335038 455449095 /nfs/dbraw/zinc/44/90/95/455449095.db2.gz MEJZQGVTANMLOG-WDEREUQCSA-N 0 1 344.321 3.394 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2OCC2CC2)n[nH]1 ZINC000160883379 455508536 /nfs/dbraw/zinc/50/85/36/455508536.db2.gz SLQXUYQUIRBPHM-GFCCVEGCSA-N 0 1 328.416 3.260 10 70 EGIEMN COc1ccc([C@H]2CCN(Cc3nnc(-c4ccccc4)n3C)C2)cc1 ZINC000160896297 455510903 /nfs/dbraw/zinc/51/09/03/455510903.db2.gz KXEQIDDTCIQVFY-SFHVURJKSA-N 0 1 348.450 3.480 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2ccc(-n3cccc3)c(F)c2)n[nH]1 ZINC000161426715 455569713 /nfs/dbraw/zinc/56/97/13/455569713.db2.gz AWQZEJPWDSOSCG-LBPRGKRZSA-N 0 1 326.375 3.009 10 70 EGIEMN COc1ccc(OC)c(CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000216741118 574770493 /nfs/dbraw/zinc/77/04/93/574770493.db2.gz XWAJGYSQSPQMGH-LJQANCHMSA-N 0 1 326.440 3.193 10 70 EGIEMN c1ccc(-c2noc(CCCN3CCO[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000159627965 206255932 /nfs/dbraw/zinc/25/59/32/206255932.db2.gz KFHCVEKQBHHIFS-IRXDYDNUSA-N 0 1 327.428 3.313 10 70 EGIEMN C[C@@H](N[C@@H](C)C(=O)Nc1nccs1)c1ccccc1-n1cccn1 ZINC000160811089 278362125 /nfs/dbraw/zinc/36/21/25/278362125.db2.gz MPQJWRBWJVAQHR-OLZOCXBDSA-N 0 1 341.440 3.007 10 70 EGIEMN CC(C)(O)[C@H]1CCCN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160919897 455513464 /nfs/dbraw/zinc/51/34/64/455513464.db2.gz RNXYNRIIDBABAO-CYBMUJFWSA-N 0 1 338.249 3.061 10 70 EGIEMN O=c1nc(CN2CC[C@@H]3CCCC[C@@H]32)[nH]c2sc3c(c21)CCC3 ZINC000159649511 455392440 /nfs/dbraw/zinc/39/24/40/455392440.db2.gz YWFHEGDTZLKFGH-AAEUAGOBSA-N 0 1 329.469 3.238 10 70 EGIEMN c1ccc(-c2nc([C@@H]3CCCN3c3ccnc(C4CC4)n3)n[nH]2)cc1 ZINC000160908291 455511787 /nfs/dbraw/zinc/51/17/87/455511787.db2.gz VQJRKVIKQVKAPK-HNNXBMFYSA-N 0 1 332.411 3.481 10 70 EGIEMN c1ccc(-c2n[nH]c([C@@H]3CCCN3c3ccnc(C4CC4)n3)n2)cc1 ZINC000160908291 455511792 /nfs/dbraw/zinc/51/17/92/455511792.db2.gz VQJRKVIKQVKAPK-HNNXBMFYSA-N 0 1 332.411 3.481 10 70 EGIEMN CN(Cc1nc2ccc(Br)cc2[nH]1)[C@H]1CCSC1 ZINC000161047919 455526501 /nfs/dbraw/zinc/52/65/01/455526501.db2.gz UXCLUJVHKFHBQI-JTQLQIEISA-N 0 1 326.263 3.263 10 70 EGIEMN CN(CCc1ccccn1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161142776 455538952 /nfs/dbraw/zinc/53/89/52/455538952.db2.gz BBSRTZYGFSWPGA-UHFFFAOYSA-N 0 1 345.244 3.395 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2cc(Cl)ccc2OC(F)F)n[nH]1 ZINC000161445943 455571129 /nfs/dbraw/zinc/57/11/29/455571129.db2.gz XBKPUUFQDJYNOG-QMMMGPOBSA-N 0 1 343.761 3.334 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)n[nH]1 ZINC000161458840 206349548 /nfs/dbraw/zinc/34/95/48/206349548.db2.gz AIJSWNFAAWIODV-VIFPVBQESA-N 0 1 342.226 3.151 10 70 EGIEMN C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2O)O1 ZINC000159875819 455411413 /nfs/dbraw/zinc/41/14/13/455411413.db2.gz AWIBZSXBWMNGQA-LHLIQPBNSA-N 0 1 334.597 3.314 10 70 EGIEMN COc1cccc([C@H]2C[C@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000160391046 455453747 /nfs/dbraw/zinc/45/37/47/455453747.db2.gz ZSVKCCOKIYDZQE-ZIAGYGMSSA-N 0 1 338.367 3.124 10 70 EGIEMN C[C@H](COc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000159641179 455391767 /nfs/dbraw/zinc/39/17/67/455391767.db2.gz XCVHPJOHZIUNSS-DNVCBOLYSA-N 0 1 344.430 3.260 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000159905746 455414283 /nfs/dbraw/zinc/41/42/83/455414283.db2.gz QRHKGWLOPMINCK-HNNXBMFYSA-N 0 1 326.444 3.098 10 70 EGIEMN Cc1cccc2nc(CCC(=O)N[C@@H]3CCOC4(CCCC4)C3)[nH]c21 ZINC000160149761 455432869 /nfs/dbraw/zinc/43/28/69/455432869.db2.gz QOTMGKXAABVWRX-OAHLLOKOSA-N 0 1 341.455 3.412 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000160317299 455447418 /nfs/dbraw/zinc/44/74/18/455447418.db2.gz OPUGKPJRXWQZFS-HNNXBMFYSA-N 0 1 344.434 3.379 10 70 EGIEMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)o1 ZINC000160334788 455448969 /nfs/dbraw/zinc/44/89/69/455448969.db2.gz MEJZQGVTANMLOG-GHMZBOCLSA-N 0 1 344.321 3.394 10 70 EGIEMN Cc1c([C@H](C)NC[C@@H]2CCCC[C@@H]2O)nnn1-c1cccc(Cl)c1 ZINC000160451160 455460311 /nfs/dbraw/zinc/46/03/11/455460311.db2.gz KOWIOOWFRMGGDB-JDFRZJQESA-N 0 1 348.878 3.431 10 70 EGIEMN Cc1nc(C[C@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)no1 ZINC000161048008 455527229 /nfs/dbraw/zinc/52/72/29/455527229.db2.gz AEVJVWKQAMNKIU-MRXNPFEDSA-N 0 1 337.427 3.018 10 70 EGIEMN O[C@@]12CCCC[C@@H]1CN(Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000161152049 455541209 /nfs/dbraw/zinc/54/12/09/455541209.db2.gz RKIFXFKVTMINHF-DNVCBOLYSA-N 0 1 329.419 3.138 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)n[nH]1 ZINC000161193720 455546438 /nfs/dbraw/zinc/54/64/38/455546438.db2.gz WWODOHAQBLUPDE-SNVBAGLBSA-N 0 1 343.818 3.123 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2occc2COc2ccccc2)n[nH]1 ZINC000161194262 455547005 /nfs/dbraw/zinc/54/70/05/455547005.db2.gz QVJDEOKMGONNIC-CYBMUJFWSA-N 0 1 339.395 3.251 10 70 EGIEMN Brc1ccc2nc(CN3CCOC4(CCC4)C3)[nH]c2c1 ZINC000161311850 455558512 /nfs/dbraw/zinc/55/85/12/455558512.db2.gz NDERRFWRNPLMLZ-UHFFFAOYSA-N 0 1 336.233 3.080 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 ZINC000161393692 455565798 /nfs/dbraw/zinc/56/57/98/455565798.db2.gz XDVOQPNKZBVBEW-LBPRGKRZSA-N 0 1 335.835 3.278 10 70 EGIEMN CCn1cnnc1[C@@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000161427994 455569411 /nfs/dbraw/zinc/56/94/11/455569411.db2.gz HVINJIAAXCCZRW-CQSZACIVSA-N 0 1 349.276 3.440 10 70 EGIEMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000160136026 206280655 /nfs/dbraw/zinc/28/06/55/206280655.db2.gz CLOWWWNUOWJKHJ-WFASDCNBSA-N 0 1 328.378 3.094 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 ZINC000161081860 206326428 /nfs/dbraw/zinc/32/64/28/206326428.db2.gz IDQSARBFXCATAT-MRVPVSSYSA-N 0 1 329.297 3.237 10 70 EGIEMN C[C@H](N[C@@H]1CCOc2ccc(Br)cc21)c1cnn(C)c1 ZINC000161224397 290024184 /nfs/dbraw/zinc/02/41/84/290024184.db2.gz SZAMMEZPRODHGJ-IINYFYTJSA-N 0 1 336.233 3.357 10 70 EGIEMN COc1ccc([C@@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000160262066 455442851 /nfs/dbraw/zinc/44/28/51/455442851.db2.gz GERVVHGRDUGYDC-LLVKDONJSA-N 0 1 326.356 3.124 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000159480881 455379602 /nfs/dbraw/zinc/37/96/02/455379602.db2.gz FHWXEWHOSXFNNF-UHFFFAOYSA-N 0 1 326.400 3.442 10 70 EGIEMN CCOCCC1(C(=O)NCc2nc3cccc(C)c3[nH]2)CCCC1 ZINC000160500311 455467024 /nfs/dbraw/zinc/46/70/24/455467024.db2.gz MVFKRCYIVUVJRL-UHFFFAOYSA-N 0 1 329.444 3.475 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2cnc(-c3ccccc3F)s2)n[nH]1 ZINC000161404087 455567056 /nfs/dbraw/zinc/56/70/56/455567056.db2.gz KYCUVKFQBJUHRM-JTQLQIEISA-N 0 1 344.415 3.342 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 ZINC000161096011 206327792 /nfs/dbraw/zinc/32/77/92/206327792.db2.gz CNWCRTXLUGQWEB-QMMMGPOBSA-N 0 1 329.297 3.237 10 70 EGIEMN CC(C)C[C@H](C)N(C)C(=O)CN(CCc1nccs1)C(C)C ZINC000159746733 455400241 /nfs/dbraw/zinc/40/02/41/455400241.db2.gz FJXBQHQOVBMFKX-HNNXBMFYSA-N 0 1 325.522 3.289 10 70 EGIEMN C[C@@H](O)[C@H]1CCCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159540833 455383911 /nfs/dbraw/zinc/38/39/11/455383911.db2.gz RMFFJFTWGNXZCB-QMTHXVAHSA-N 0 1 338.249 3.061 10 70 EGIEMN Cc1cccc2nc(CNC(=O)[C@@](C)(O)[C@H](C)c3ccccc3)[nH]c21 ZINC000160240007 455441214 /nfs/dbraw/zinc/44/12/14/455441214.db2.gz TYINRNHKCSIVIV-VLIAUNLRSA-N 0 1 337.423 3.042 10 70 EGIEMN COc1ccc(C(C)(C)C(=O)NCc2nc3cccc(C)c3[nH]2)cc1 ZINC000160475203 455463942 /nfs/dbraw/zinc/46/39/42/455463942.db2.gz SDOTYKQILXICCG-UHFFFAOYSA-N 0 1 337.423 3.474 10 70 EGIEMN O=C1[C@H](N2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1cccc(Cl)c1 ZINC000160921828 455514172 /nfs/dbraw/zinc/51/41/72/455514172.db2.gz KDKOMXLCPXNADS-LSBZLQRGSA-N 0 1 348.874 3.072 10 70 EGIEMN CCn1cnnc1[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000161338476 455560897 /nfs/dbraw/zinc/56/08/97/455560897.db2.gz FYDNXDRCOUDZJR-CQSZACIVSA-N 0 1 349.276 3.440 10 70 EGIEMN COc1ccccc1C[C@H](C)CC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161161613 206333382 /nfs/dbraw/zinc/33/33/82/206333382.db2.gz IEROLWNELDSUEU-UONOGXRCSA-N 0 1 329.444 3.043 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C(F)(F)F)ccc2F)n[nH]1 ZINC000161227674 206335560 /nfs/dbraw/zinc/33/55/60/206335560.db2.gz ISFFYGNKHKIRST-MRVPVSSYSA-N 0 1 329.297 3.237 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)n[nH]1 ZINC000161377379 206345344 /nfs/dbraw/zinc/34/53/44/206345344.db2.gz LFWDUDBYLPJGJJ-AAEUAGOBSA-N 0 1 335.835 3.195 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)COc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000161442142 206347740 /nfs/dbraw/zinc/34/77/40/206347740.db2.gz ZADZTVDZNFVUET-VIFPVBQESA-N 0 1 342.226 3.151 10 70 EGIEMN C[C@H](N[C@H]1CCOc2ccc(Br)cc21)c1cnn(C)c1 ZINC000161224632 279545827 /nfs/dbraw/zinc/54/58/27/279545827.db2.gz SZAMMEZPRODHGJ-HZMBPMFUSA-N 0 1 336.233 3.357 10 70 EGIEMN Cc1ccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2Cl)cn1 ZINC000161302007 307901181 /nfs/dbraw/zinc/90/11/81/307901181.db2.gz OQWUNGJPWNTFQP-ZDUSSCGKSA-N 0 1 327.819 3.475 10 70 EGIEMN Cc1c([C@H](C)NC[C@@H]2CCCC[C@@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000160565200 455474629 /nfs/dbraw/zinc/47/46/29/455474629.db2.gz LGQZZCKOODAUAL-JDFRZJQESA-N 0 1 348.878 3.431 10 70 EGIEMN CC1=NN(c2ccc(C(=O)NCc3nc4cccc(C)c4[nH]3)cc2)CC1 ZINC000160251805 455441497 /nfs/dbraw/zinc/44/14/97/455441497.db2.gz OXVCZRORJREPID-UHFFFAOYSA-N 0 1 347.422 3.387 10 70 EGIEMN Cc1cccc2nc(CNC(=O)Cc3cn(C)c4ccccc34)[nH]c21 ZINC000160461264 455461113 /nfs/dbraw/zinc/46/11/13/455461113.db2.gz IUCYYFQJVHPWGG-UHFFFAOYSA-N 0 1 332.407 3.222 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)n[nH]1 ZINC000161446343 455571471 /nfs/dbraw/zinc/57/14/71/455571471.db2.gz OJEHOLSFKLUELM-GFCCVEGCSA-N 0 1 325.368 3.464 10 70 EGIEMN C[C@H](NCC(=O)NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000160613044 206306522 /nfs/dbraw/zinc/30/65/22/206306522.db2.gz HRMQCFIVGLVDOK-ZETCQYMHSA-N 0 1 329.149 3.323 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)NCCCc1ccccc1 ZINC000159877618 455412379 /nfs/dbraw/zinc/41/23/79/455412379.db2.gz NJQDRSFRVNWOCE-UHFFFAOYSA-N 0 1 345.512 3.145 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000159878226 455412504 /nfs/dbraw/zinc/41/25/04/455412504.db2.gz YSXJRSXRHRRBCR-CVEARBPZSA-N 0 1 337.533 3.433 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000160000802 455421305 /nfs/dbraw/zinc/42/13/05/455421305.db2.gz PSUJXEBZELXXDM-UHFFFAOYSA-N 0 1 342.443 3.488 10 70 EGIEMN O=C(c1csc(-c2ccccc2Cl)n1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160254048 455441516 /nfs/dbraw/zinc/44/15/16/455441516.db2.gz NFBZPKSFOOZVRW-TXEJJXNPSA-N 0 1 347.871 3.430 10 70 EGIEMN CCN(C(=O)NCCCCSC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160302284 455446546 /nfs/dbraw/zinc/44/65/46/455446546.db2.gz BKJCZRUSNAKXML-GOSISDBHSA-N 0 1 349.544 3.436 10 70 EGIEMN CCc1ccc(-c2noc(CN3CC[C@]4(O)CCCC[C@@H]4C3)n2)cc1 ZINC000161075277 546953293 /nfs/dbraw/zinc/95/32/93/546953293.db2.gz NWMKURUGMQXAPI-YLJYHZDGSA-N 0 1 341.455 3.426 10 70 EGIEMN Cc1ccc(NC(=O)[C@H](C)N2CC[C@]3(O)CCCC[C@@H]3C2)c(C)c1 ZINC000160948517 206319692 /nfs/dbraw/zinc/31/96/92/206319692.db2.gz SYPDVSKFGCHBHI-SQGPQFPESA-N 0 1 330.472 3.257 10 70 EGIEMN CC(C)=CCOc1cccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161171159 206332222 /nfs/dbraw/zinc/33/22/22/206332222.db2.gz ULLUNDTWSZBSOC-AWEZNQCLSA-N 0 1 327.428 3.424 10 70 EGIEMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000161201017 206334868 /nfs/dbraw/zinc/33/48/68/206334868.db2.gz PFUJHWDXUZJWCI-ZBFHGGJFSA-N 0 1 342.487 3.302 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cccc(Br)c2C)n[nH]1 ZINC000161218211 206336649 /nfs/dbraw/zinc/33/66/49/206336649.db2.gz YNUHLLHXSQDZIB-SECBINFHSA-N 0 1 336.233 3.150 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)n[nH]1 ZINC000161458711 206349161 /nfs/dbraw/zinc/34/91/61/206349161.db2.gz AIJSWNFAAWIODV-SECBINFHSA-N 0 1 342.226 3.151 10 70 EGIEMN 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ZINC000160491738 455465927 /nfs/dbraw/zinc/46/59/27/455465927.db2.gz GBTWGQJXIYABJC-UHFFFAOYSA-N 0 1 343.818 3.368 10 70 EGIEMN Cc1cccc2nc(CNC(=O)[C@@H](C)Sc3ccccn3)[nH]c21 ZINC000160568852 455475703 /nfs/dbraw/zinc/47/57/03/455475703.db2.gz UWGHRGFXZSLWDW-GFCCVEGCSA-N 0 1 326.425 3.063 10 70 EGIEMN CCCOc1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1OCC ZINC000161223150 455549600 /nfs/dbraw/zinc/54/96/00/455549600.db2.gz UPNZCPJKYLQVBU-CYBMUJFWSA-N 0 1 345.443 3.267 10 70 EGIEMN CC[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)c1c(C)noc1C ZINC000160714069 546950092 /nfs/dbraw/zinc/95/00/92/546950092.db2.gz XLCGJDBIDJQBJC-DLBZAZTESA-N 0 1 329.444 3.032 10 70 EGIEMN CN(C)Cc1cc(CNC(=O)c2ccnc(Cl)c2F)ccc1F ZINC000159634822 225252208 /nfs/dbraw/zinc/25/22/08/225252208.db2.gz OYKSCNKOKNCSBW-UHFFFAOYSA-N 0 1 339.773 3.005 10 70 EGIEMN C[C@@H]1CN(C2CCN(C(=O)CC/C=C/c3ccccc3)CC2)CCO1 ZINC000159540228 455384671 /nfs/dbraw/zinc/38/46/71/455384671.db2.gz AAHCNMJKZZBMGH-QKYXPGDISA-N 0 1 342.483 3.192 10 70 EGIEMN 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ZINC000218508356 266194355 /nfs/dbraw/zinc/19/43/55/266194355.db2.gz AXQOOZIBNARVPN-UHFFFAOYSA-N 0 1 339.439 3.095 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N(C1CC1)C1CCCC1 ZINC000159828636 455407983 /nfs/dbraw/zinc/40/79/83/455407983.db2.gz NRELNEDSKOFYJX-UHFFFAOYSA-N 0 1 335.517 3.330 10 70 EGIEMN Cc1csc(-c2cccc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)c2)n1 ZINC000159603635 455388145 /nfs/dbraw/zinc/38/81/45/455388145.db2.gz ZNBYSQMDUYCOPM-IYBDPMFKSA-N 0 1 327.453 3.085 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N(C)CC1CCCCC1 ZINC000159806131 455405573 /nfs/dbraw/zinc/40/55/73/455405573.db2.gz NWGKQZZTHGQZPO-UHFFFAOYSA-N 0 1 337.533 3.435 10 70 EGIEMN CCCn1nc(C)c(C(=O)NCc2nc3cccc(C)c3[nH]2)c1C ZINC000160241191 455440403 /nfs/dbraw/zinc/44/04/03/455440403.db2.gz KHSTYPCRQXNRKV-UHFFFAOYSA-N 0 1 325.416 3.025 10 70 EGIEMN CC(C)N(CCc1nccs1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160606673 455479288 /nfs/dbraw/zinc/47/92/88/455479288.db2.gz MWAYSTVACSCFIR-UHFFFAOYSA-N 0 1 341.440 3.022 10 70 EGIEMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160942403 455516101 /nfs/dbraw/zinc/51/61/01/455516101.db2.gz FCHLTYRKLNTXNQ-VQTJNVASSA-N 0 1 341.499 3.379 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)n[nH]1 ZINC000161068721 455529661 /nfs/dbraw/zinc/52/96/61/455529661.db2.gz LASSMLUNBMQPRT-SECBINFHSA-N 0 1 326.227 3.315 10 70 EGIEMN Cc1ccc(NC(=O)[C@H](C)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000161173983 455544183 /nfs/dbraw/zinc/54/41/83/455544183.db2.gz XBZSJFBEJCYBLR-QMTMVMCOSA-N 0 1 334.435 3.088 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)CCCOc2ccc(C)c(C)c2)n[nH]1 ZINC000161184160 455545259 /nfs/dbraw/zinc/54/52/59/455545259.db2.gz DYCUJOZWOMAHTO-OAHLLOKOSA-N 0 1 329.444 3.241 10 70 EGIEMN CCC(C)(CC)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000161197687 455546821 /nfs/dbraw/zinc/54/68/21/455546821.db2.gz HZZNDBQLNXDJGW-OAHLLOKOSA-N 0 1 332.492 3.485 10 70 EGIEMN CCn1cnnc1[C@@H]1CCCN(Cc2ccccc2Br)C1 ZINC000161332421 455559993 /nfs/dbraw/zinc/55/99/93/455559993.db2.gz 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/nfs/dbraw/zinc/55/62/45/455556245.db2.gz JHLDCWZYGOGHAH-CYBMUJFWSA-N 0 1 334.851 3.340 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Br)cc2C)n[nH]1 ZINC000161480462 455573532 /nfs/dbraw/zinc/57/35/32/455573532.db2.gz IWUHWDSVSBTFLB-SNVBAGLBSA-N 0 1 336.233 3.150 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)COc2cc(C(C)C)ccc2C)n[nH]1 ZINC000161480715 455574091 /nfs/dbraw/zinc/57/40/91/455574091.db2.gz SFHCDSJTORMTCO-CQSZACIVSA-N 0 1 329.444 3.276 10 70 EGIEMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCO[C@H](c2cccs2)C1 ZINC000161505852 140974348 /nfs/dbraw/zinc/97/43/48/140974348.db2.gz NQHPBQKBFUMWNB-INIZCTEOSA-N 0 1 339.420 3.352 10 70 EGIEMN C[C@H](O)[C@H]1CCCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159540696 455384237 /nfs/dbraw/zinc/38/42/37/455384237.db2.gz RMFFJFTWGNXZCB-IINYFYTJSA-N 0 1 338.249 3.061 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000159754520 455400525 /nfs/dbraw/zinc/40/05/25/455400525.db2.gz IUAQTYVUNIHQKD-UHFFFAOYSA-N 0 1 349.475 3.194 10 70 EGIEMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@](C)(O)CC ZINC000160425188 455457007 /nfs/dbraw/zinc/45/70/07/455457007.db2.gz HFKICODRBNSYKJ-OAHLLOKOSA-N 0 1 333.259 3.415 10 70 EGIEMN Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)nc2)c(Cl)cc1F ZINC000159598856 455387889 /nfs/dbraw/zinc/38/78/89/455387889.db2.gz HZKFTGVEBPCSJO-UHFFFAOYSA-N 0 1 343.811 3.049 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000160317200 455447167 /nfs/dbraw/zinc/44/71/67/455447167.db2.gz OPUGKPJRXWQZFS-OAHLLOKOSA-N 0 1 344.434 3.379 10 70 EGIEMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN(C)Cc1ccc(F)cc1 ZINC000161147090 455540149 /nfs/dbraw/zinc/54/01/49/455540149.db2.gz GPUJEWODJQEMMH-UHFFFAOYSA-N 0 1 347.434 3.223 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)Cc2csc(-c3cccs3)n2)n[nH]1 ZINC000161260249 455553343 /nfs/dbraw/zinc/55/33/43/455553343.db2.gz IKNOVFUOKNSODR-SNVBAGLBSA-N 0 1 346.481 3.193 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cc3c(cccc3OC(F)F)[nH]2)n[nH]1 ZINC000161358237 455563268 /nfs/dbraw/zinc/56/32/68/455563268.db2.gz BNVOVWINEVWSOW-SECBINFHSA-N 0 1 348.353 3.162 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)n[nH]1 ZINC000161377797 455565190 /nfs/dbraw/zinc/56/51/90/455565190.db2.gz LFWDUDBYLPJGJJ-DGCLKSJQSA-N 0 1 335.835 3.195 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)Cc2csc(-c3ccc(C)o3)n2)n[nH]1 ZINC000161395711 455565932 /nfs/dbraw/zinc/56/59/32/455565932.db2.gz KOYCLJRTJKBVTM-JTQLQIEISA-N 0 1 344.440 3.033 10 70 EGIEMN CCOCCN(CC)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159554631 455385555 /nfs/dbraw/zinc/38/55/55/455385555.db2.gz LSILWPMBTVYEHX-UHFFFAOYSA-N 0 1 326.238 3.184 10 70 EGIEMN CN(CCOCC1CC1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160124344 455430980 /nfs/dbraw/zinc/43/09/80/455430980.db2.gz PFBCHANWPIFAKK-UHFFFAOYSA-N 0 1 338.249 3.184 10 70 EGIEMN C[C@@H]1CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000160885832 455508394 /nfs/dbraw/zinc/50/83/94/455508394.db2.gz LYTMVXKNGDJNDN-APWZRJJASA-N 0 1 330.451 3.037 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)CCc2nc3ccccc3s2)n[nH]1 ZINC000161073996 455529908 /nfs/dbraw/zinc/52/99/08/455529908.db2.gz FDVZSSKJLCHQGC-NSHDSACASA-N 0 1 328.441 3.008 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)Cc2csc(-c3cccs3)n2)n[nH]1 ZINC000161260362 455553298 /nfs/dbraw/zinc/55/32/98/455553298.db2.gz IKNOVFUOKNSODR-JTQLQIEISA-N 0 1 346.481 3.193 10 70 EGIEMN CCn1cnnc1[C@@H]1CCCN(CCOc2ccccc2Cl)C1 ZINC000161327295 455559181 /nfs/dbraw/zinc/55/91/81/455559181.db2.gz UPBFIXFYAIIIGS-CQSZACIVSA-N 0 1 334.851 3.210 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)n[nH]1 ZINC000161370228 455563818 /nfs/dbraw/zinc/56/38/18/455563818.db2.gz SUXJBLHSUVSHBE-DZGCQCFKSA-N 0 1 329.444 3.356 10 70 EGIEMN Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)[nH]1 ZINC000159782125 225277043 /nfs/dbraw/zinc/27/70/43/225277043.db2.gz AKQFSMVZYDBPJV-LBPRGKRZSA-N 0 1 348.472 3.117 10 70 EGIEMN Cc1n[nH]c(SCC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000159782125 225277047 /nfs/dbraw/zinc/27/70/47/225277047.db2.gz AKQFSMVZYDBPJV-LBPRGKRZSA-N 0 1 348.472 3.117 10 70 EGIEMN CCC[C@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)CCO1 ZINC000161137621 455538847 /nfs/dbraw/zinc/53/88/47/455538847.db2.gz GZUCDXHXEBJJJW-LBPRGKRZSA-N 0 1 338.249 3.326 10 70 EGIEMN Cc1cccc2nc(CCC(=O)N[C@H]3CCOC4(CCCC4)C3)[nH]c21 ZINC000160149887 455432703 /nfs/dbraw/zinc/43/27/03/455432703.db2.gz QOTMGKXAABVWRX-HNNXBMFYSA-N 0 1 341.455 3.412 10 70 EGIEMN Cc1noc(-c2ccccc2C(=O)NCc2nc3cccc(C)c3[nH]2)n1 ZINC000160468754 455462569 /nfs/dbraw/zinc/46/25/69/455462569.db2.gz FJNDTFHLYNFUSM-UHFFFAOYSA-N 0 1 347.378 3.160 10 70 EGIEMN Cc1nnc(-c2ccccc2C(=O)NCc2nc3cccc(C)c3[nH]2)o1 ZINC000160583591 455477304 /nfs/dbraw/zinc/47/73/04/455477304.db2.gz GWHNNZCESGDHDG-UHFFFAOYSA-N 0 1 347.378 3.160 10 70 EGIEMN c1ccc(-c2nc([C@H]3CCCN3c3ccnc(C4CC4)n3)n[nH]2)cc1 ZINC000160908408 455511488 /nfs/dbraw/zinc/51/14/88/455511488.db2.gz VQJRKVIKQVKAPK-OAHLLOKOSA-N 0 1 332.411 3.481 10 70 EGIEMN c1ccc(-c2n[nH]c([C@H]3CCCN3c3ccnc(C4CC4)n3)n2)cc1 ZINC000160908408 455511490 /nfs/dbraw/zinc/51/14/90/455511490.db2.gz VQJRKVIKQVKAPK-OAHLLOKOSA-N 0 1 332.411 3.481 10 70 EGIEMN CC(C)(O)[C@@H]1CCCN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160919769 455512868 /nfs/dbraw/zinc/51/28/68/455512868.db2.gz RNXYNRIIDBABAO-ZDUSSCGKSA-N 0 1 338.249 3.061 10 70 EGIEMN CN(Cc1nc2ccc(Br)cc2[nH]1)[C@@H]1CCSC1 ZINC000161047781 455526811 /nfs/dbraw/zinc/52/68/11/455526811.db2.gz UXCLUJVHKFHBQI-SNVBAGLBSA-N 0 1 326.263 3.263 10 70 EGIEMN C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cncc(F)c1 ZINC000161073515 455529896 /nfs/dbraw/zinc/52/98/96/455529896.db2.gz MYCCIJPCLOVECG-HNNXBMFYSA-N 0 1 337.398 3.282 10 70 EGIEMN CC(C)(C)OC(=O)c1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000160007477 526527499 /nfs/dbraw/zinc/52/74/99/526527499.db2.gz HNLBKUMVQWUGNY-QGZVFWFLSA-N 0 1 342.443 3.071 10 70 EGIEMN Cc1noc(Cl)c1CCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160233416 455440909 /nfs/dbraw/zinc/44/09/09/455440909.db2.gz MZTXBSYSGVKUBZ-UHFFFAOYSA-N 0 1 332.791 3.070 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(F)cc2OCC2CC2)n[nH]1 ZINC000160856196 455505394 /nfs/dbraw/zinc/50/53/94/455505394.db2.gz YZKQYURXPHLXHN-NSHDSACASA-N 0 1 346.406 3.399 10 70 EGIEMN O=C1[C@H](N2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccc(Cl)cc1 ZINC000160947363 455516957 /nfs/dbraw/zinc/51/69/57/455516957.db2.gz XXUQLJQVMZHGAQ-LSBZLQRGSA-N 0 1 348.874 3.072 10 70 EGIEMN Cc1cccc(-c2noc(CN3CC[C@@]4(O)CCCC[C@@H]4C3)n2)c1 ZINC000160771153 546949934 /nfs/dbraw/zinc/94/99/34/546949934.db2.gz YPULJQGNFWZQIT-APWZRJJASA-N 0 1 327.428 3.172 10 70 EGIEMN CC(C)OCCN1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159790960 140946661 /nfs/dbraw/zinc/94/66/61/140946661.db2.gz ZHZOGNHSKACLLM-UHFFFAOYSA-N 0 1 335.398 3.060 10 70 EGIEMN COCC1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000159642264 455392870 /nfs/dbraw/zinc/39/28/70/455392870.db2.gz NGUCBCDWZZXQAM-UHFFFAOYSA-N 0 1 338.249 3.184 10 70 EGIEMN Cc1ccccc1CCNC(=O)CN(CCc1nccs1)C(C)C ZINC000159792298 455404682 /nfs/dbraw/zinc/40/46/82/455404682.db2.gz YXQUVHWYOKJDPI-UHFFFAOYSA-N 0 1 345.512 3.063 10 70 EGIEMN O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCN(C2CCCC2)CC1 ZINC000160008243 455422454 /nfs/dbraw/zinc/42/24/54/455422454.db2.gz YQWTXCLPBXAHGD-DOTOQJQBSA-N 0 1 334.410 3.155 10 70 EGIEMN O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CCN(C2CCCC2)CC1 ZINC000160008104 455422492 /nfs/dbraw/zinc/42/24/92/455422492.db2.gz YQWTXCLPBXAHGD-WBVHZDCISA-N 0 1 334.410 3.155 10 70 EGIEMN CCC(CC)n1nccc1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160349900 455450977 /nfs/dbraw/zinc/45/09/77/455450977.db2.gz QYTALFQSQKUBLA-UHFFFAOYSA-N 0 1 325.416 3.359 10 70 EGIEMN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161170538 455543128 /nfs/dbraw/zinc/54/31/28/455543128.db2.gz RVZGFHZSMVRMPH-QMTMVMCOSA-N 0 1 334.435 3.088 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)n[nH]1 ZINC000161370113 455563653 /nfs/dbraw/zinc/56/36/53/455563653.db2.gz SUXJBLHSUVSHBE-UKRRQHHQSA-N 0 1 329.444 3.356 10 70 EGIEMN CCOC(=O)CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)C1CC1 ZINC000160341301 455449774 /nfs/dbraw/zinc/44/97/74/455449774.db2.gz CFJACDJLABCGBA-UHFFFAOYSA-N 0 1 333.432 3.015 10 70 EGIEMN Cc1cccc2nc(CNC(=O)c3sccc3OC(F)F)[nH]c21 ZINC000160517063 455468708 /nfs/dbraw/zinc/46/87/08/455468708.db2.gz YUFYUTFZIVJVCR-UHFFFAOYSA-N 0 1 337.351 3.464 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000159732331 455399861 /nfs/dbraw/zinc/39/98/61/455399861.db2.gz UZIOOQCCMBEDST-BZUAXINKSA-N 0 1 337.533 3.337 10 70 EGIEMN Cc1ccccc1CN(C)C(=O)CN(CCc1nccs1)C(C)C ZINC000159815051 455406533 /nfs/dbraw/zinc/40/65/33/455406533.db2.gz UXKRCPRTNAKPEI-UHFFFAOYSA-N 0 1 345.512 3.363 10 70 EGIEMN O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160942142 455515762 /nfs/dbraw/zinc/51/57/62/455515762.db2.gz FCHLTYRKLNTXNQ-WOJBJXKFSA-N 0 1 341.499 3.379 10 70 EGIEMN Cc1ccc(CN[C@H](C)c2ccc(-n3cncn3)cc2Cl)cn1 ZINC000161302109 455557745 /nfs/dbraw/zinc/55/77/45/455557745.db2.gz OQWUNGJPWNTFQP-CYBMUJFWSA-N 0 1 327.819 3.475 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)n[nH]1 ZINC000161393554 455566174 /nfs/dbraw/zinc/56/61/74/455566174.db2.gz XDVOQPNKZBVBEW-GFCCVEGCSA-N 0 1 335.835 3.278 10 70 EGIEMN Cc1nnc(-c2ccc(C(=O)NCc3nc4cccc(C)c4[nH]3)cc2)o1 ZINC000160263370 455442899 /nfs/dbraw/zinc/44/28/99/455442899.db2.gz HSVVCCDVNJBTLW-UHFFFAOYSA-N 0 1 347.378 3.160 10 70 EGIEMN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161143096 455539390 /nfs/dbraw/zinc/53/93/90/455539390.db2.gz DPBIARCASKJOKN-XJKSGUPXSA-N 0 1 341.455 3.284 10 70 EGIEMN Cc1ccc(-c2n[nH]c(NC(=O)c3nc(C)ncc3Cl)c2C)o1 ZINC000161482498 455573944 /nfs/dbraw/zinc/57/39/44/455573944.db2.gz VPRVNQWKBMLFIZ-UHFFFAOYSA-N 0 1 331.763 3.291 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)NCCC1CCCCC1 ZINC000159769203 546941638 /nfs/dbraw/zinc/94/16/38/546941638.db2.gz UJTNBSAHGGJUOU-UHFFFAOYSA-N 0 1 337.533 3.483 10 70 EGIEMN CCc1c(NS(=O)(=O)c2ccc(F)cc2C)cnn1CC(C)C ZINC000160412649 546946621 /nfs/dbraw/zinc/94/66/21/546946621.db2.gz SVTIZGFKMPVZBJ-UHFFFAOYSA-N 0 1 339.436 3.350 10 70 EGIEMN 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XLCGJDBIDJQBJC-IRXDYDNUSA-N 0 1 329.444 3.032 10 70 EGIEMN C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000160127714 206280389 /nfs/dbraw/zinc/28/03/89/206280389.db2.gz WXRSHGZQJIEGSE-DOMZBBRYSA-N 0 1 328.378 3.409 10 70 EGIEMN C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161049532 206325610 /nfs/dbraw/zinc/32/56/10/206325610.db2.gz RUSPQZLKMLDKMW-IDHHARJASA-N 0 1 327.428 3.425 10 70 EGIEMN COc1ccc2cccc(CC(=O)N[C@H](C)Cc3cc(C)[nH]n3)c2c1 ZINC000160587450 206304790 /nfs/dbraw/zinc/30/47/90/206304790.db2.gz KRQBUAHSSYRXMI-CYBMUJFWSA-N 0 1 337.423 3.170 10 70 EGIEMN C[C@@H](N[C@H]1CCOc2ccc(Br)cc21)c1cnn(C)c1 ZINC000161224742 278385890 /nfs/dbraw/zinc/38/58/90/278385890.db2.gz SZAMMEZPRODHGJ-YGRLFVJLSA-N 0 1 336.233 3.357 10 70 EGIEMN CC[C@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)C[C@H](C)O1 ZINC000159616263 455389330 /nfs/dbraw/zinc/38/93/30/455389330.db2.gz JOFXQIHTKZBFGQ-JQWIXIFHSA-N 0 1 338.249 3.325 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N[C@@H](C)c1cccs1 ZINC000159760047 455401758 /nfs/dbraw/zinc/40/17/58/455401758.db2.gz OLPPBOHNBJYDBB-ZDUSSCGKSA-N 0 1 337.514 3.335 10 70 EGIEMN O=C(c1ccc(Br)cc1Cl)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160032196 455422823 /nfs/dbraw/zinc/42/28/23/455422823.db2.gz QTURZAQRPSHQJN-PHIMTYICSA-N 0 1 343.652 3.069 10 70 EGIEMN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000160391160 455453776 /nfs/dbraw/zinc/45/37/76/455453776.db2.gz ZSVKCCOKIYDZQE-KGLIPLIRSA-N 0 1 338.367 3.124 10 70 EGIEMN CCCCCN(CCO)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159641959 455391265 /nfs/dbraw/zinc/39/12/65/455391265.db2.gz JHZBEMXCYWLCAG-UHFFFAOYSA-N 0 1 340.265 3.310 10 70 EGIEMN CCCCCN(CCO)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159641959 455391276 /nfs/dbraw/zinc/39/12/76/455391276.db2.gz JHZBEMXCYWLCAG-UHFFFAOYSA-N 0 1 340.265 3.310 10 70 EGIEMN O=C(c1ccc(COc2ccccc2)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160107262 455429747 /nfs/dbraw/zinc/42/97/47/455429747.db2.gz RKSCSJOOMJRXHW-KDURUIRLSA-N 0 1 336.435 3.232 10 70 EGIEMN Cc1c(C(=O)NCc2nc3cccc(C)c3[nH]2)cnn1C(C)(C)C ZINC000160431867 455458015 /nfs/dbraw/zinc/45/80/15/455458015.db2.gz YYGVRSFJZIHZTJ-UHFFFAOYSA-N 0 1 325.416 3.061 10 70 EGIEMN CC[C@@H](O)c1cc2n(n1)CCCN(CCc1c[nH]c3ccccc13)C2 ZINC000217159182 241239373 /nfs/dbraw/zinc/23/93/73/241239373.db2.gz KULDHTMGCYYQNH-HXUWFJFHSA-N 0 1 338.455 3.256 10 70 EGIEMN CC(C)(C)OC(=O)c1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000160007332 206274374 /nfs/dbraw/zinc/27/43/74/206274374.db2.gz HNLBKUMVQWUGNY-KRWDZBQOSA-N 0 1 342.443 3.071 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)C(C)(C)Oc2cccc(Cl)c2)n[nH]1 ZINC000161168651 206333086 /nfs/dbraw/zinc/33/30/86/206333086.db2.gz TUBJYJLSBZBGDQ-LLVKDONJSA-N 0 1 335.835 3.276 10 70 EGIEMN CCC[C@@H](C(=O)Nc1ccc(Sc2nccn2C)cc1)N(C)C ZINC000161418168 206347924 /nfs/dbraw/zinc/34/79/24/206347924.db2.gz HYRZWYBOTOOPPU-HNNXBMFYSA-N 0 1 332.473 3.240 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCCCc1nc2ccccc2n1C ZINC000160187079 455436782 /nfs/dbraw/zinc/43/67/82/455436782.db2.gz NTMNLRMQJSGNLQ-UHFFFAOYSA-N 0 1 339.443 3.091 10 70 EGIEMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)n2)o1 ZINC000160415144 455455967 /nfs/dbraw/zinc/45/59/67/455455967.db2.gz CLJAVYWQMDEBSM-STQMWFEESA-N 0 1 326.331 3.254 10 70 EGIEMN CCn1cnnc1[C@@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000161332951 455559750 /nfs/dbraw/zinc/55/97/50/455559750.db2.gz XSSZTRGMNBGZID-MRXNPFEDSA-N 0 1 337.427 3.333 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)[C@H](OC2CCCC2)c2ccccc2)n[nH]1 ZINC000161421170 455568516 /nfs/dbraw/zinc/56/85/16/455568516.db2.gz SVVWNAIAZVTIDF-AUUYWEPGSA-N 0 1 341.455 3.466 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)[C@@H](OC2CCCC2)c2ccccc2)n[nH]1 ZINC000161421560 455568674 /nfs/dbraw/zinc/56/86/74/455568674.db2.gz SVVWNAIAZVTIDF-LIRRHRJNSA-N 0 1 341.455 3.466 10 70 EGIEMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@](C)(O)CC ZINC000160461104 206298402 /nfs/dbraw/zinc/29/84/02/206298402.db2.gz AYDIYMFRDQBHGU-HNNXBMFYSA-N 0 1 332.366 3.127 10 70 EGIEMN CCC[C@H](C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)N(C)C 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/nfs/dbraw/zinc/54/64/09/455546409.db2.gz UXMCETLWGWKHGV-GFCCVEGCSA-N 0 1 340.452 3.106 10 70 EGIEMN CCC1(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCC1 ZINC000161298641 455556624 /nfs/dbraw/zinc/55/66/24/455556624.db2.gz SKUDZFAFPJDALE-HNNXBMFYSA-N 0 1 330.476 3.239 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000161333217 455559638 /nfs/dbraw/zinc/55/96/38/455559638.db2.gz FMHXKAUWPOWOKY-JTQLQIEISA-N 0 1 325.334 3.027 10 70 EGIEMN CCn1cnnc1[C@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000161338597 455561247 /nfs/dbraw/zinc/56/12/47/455561247.db2.gz FYDNXDRCOUDZJR-AWEZNQCLSA-N 0 1 349.276 3.440 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Oc2cccc(C(C)C)c2)n[nH]1 ZINC000161370372 455563573 /nfs/dbraw/zinc/56/35/73/455563573.db2.gz SUXJBLHSUVSHBE-HIFRSBDPSA-N 0 1 329.444 3.356 10 70 EGIEMN Cc1ccc(CCC2CCN(CCCCS(C)(=O)=O)CC2)cc1 ZINC000161311830 546954621 /nfs/dbraw/zinc/95/46/21/546954621.db2.gz OWSQMHOQJQIXCZ-UHFFFAOYSA-N 0 1 337.529 3.464 10 70 EGIEMN 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ZINC000159633919 225252402 /nfs/dbraw/zinc/25/24/02/225252402.db2.gz GXSUQXOPUOULOR-LBPRGKRZSA-N 0 1 346.450 3.037 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000160579327 455476966 /nfs/dbraw/zinc/47/69/66/455476966.db2.gz SMSIFCIKIRVYNR-UHFFFAOYSA-N 0 1 328.391 3.434 10 70 EGIEMN CCc1nc(C2(NCC[N@@H+](C)Cc3ccc(F)cc3)CCCC2)no1 ZINC000159894941 455413959 /nfs/dbraw/zinc/41/39/59/455413959.db2.gz XFXIVZYCBWNLTG-UHFFFAOYSA-N 0 1 346.450 3.262 10 70 EGIEMN CCc1nc(C2(NCCN(C)Cc3ccc(F)cc3)CCCC2)no1 ZINC000159894941 455413964 /nfs/dbraw/zinc/41/39/64/455413964.db2.gz XFXIVZYCBWNLTG-UHFFFAOYSA-N 0 1 346.450 3.262 10 70 EGIEMN Cc1ccsc1CNC(=O)CN(CCc1nccs1)C(C)C ZINC000159903166 455414588 /nfs/dbraw/zinc/41/45/88/455414588.db2.gz KDJMQATYEPMOIB-UHFFFAOYSA-N 0 1 337.514 3.082 10 70 EGIEMN CCOc1c(F)cccc1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160598121 455479233 /nfs/dbraw/zinc/47/92/33/455479233.db2.gz GQWKBIIHIMVPRW-UHFFFAOYSA-N 0 1 327.359 3.339 10 70 EGIEMN COC(=O)CCn1nc(C)c(CN(C)Cc2ccc(Cl)cc2)c1C ZINC000160809049 455500781 /nfs/dbraw/zinc/50/07/81/455500781.db2.gz LJOWXIUUSNLIRB-UHFFFAOYSA-N 0 1 349.862 3.348 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)[C@H](OC2CCCC2)c2ccccc2)n[nH]1 ZINC000161421297 455568688 /nfs/dbraw/zinc/56/86/88/455568688.db2.gz SVVWNAIAZVTIDF-IFXJQAMLSA-N 0 1 341.455 3.466 10 70 EGIEMN COc1ccc(CCCCCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000159456272 140938661 /nfs/dbraw/zinc/93/86/61/140938661.db2.gz FHPYNAGVIBGRTR-HDICACEKSA-N 0 1 330.472 3.151 10 70 EGIEMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCC1=CCCC1 ZINC000160237072 307886815 /nfs/dbraw/zinc/88/68/15/307886815.db2.gz NFKNAJUPMRFGEG-UHFFFAOYSA-N 0 1 342.487 3.369 10 70 EGIEMN C[C@@H](O)[C@@H]1CCCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159540560 455384176 /nfs/dbraw/zinc/38/41/76/455384176.db2.gz RMFFJFTWGNXZCB-YGRLFVJLSA-N 0 1 338.249 3.061 10 70 EGIEMN O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCN(C2CCCC2)CC1 ZINC000160008363 455422585 /nfs/dbraw/zinc/42/25/85/455422585.db2.gz 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ZINC000159500073 455380306 /nfs/dbraw/zinc/38/03/06/455380306.db2.gz GPWHBQLEPKZZJF-BETUJISGSA-N 0 1 349.228 3.162 10 70 EGIEMN COc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c(C)n1 ZINC000159890397 455413661 /nfs/dbraw/zinc/41/36/61/455413661.db2.gz DMWFCMBJXDNXKO-UHFFFAOYSA-N 0 1 344.795 3.300 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000160016196 455422057 /nfs/dbraw/zinc/42/20/57/455422057.db2.gz PVPMLPVAPMCYMV-UHFFFAOYSA-N 0 1 341.455 3.320 10 70 EGIEMN Cc1onc(-c2ccncc2)c1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160569119 455475803 /nfs/dbraw/zinc/47/58/03/455475803.db2.gz MDTTXCPJSIEDGB-UHFFFAOYSA-N 0 1 347.378 3.160 10 70 EGIEMN CCC[C@@H](C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)N(C)C ZINC000160608042 455480211 /nfs/dbraw/zinc/48/02/11/455480211.db2.gz QZUGKHFQHLIJIG-SFHVURJKSA-N 0 1 333.476 3.112 10 70 EGIEMN CCn1cnnc1[C@H]1CCCN(CCOc2ccccc2Cl)C1 ZINC000161327398 455559394 /nfs/dbraw/zinc/55/93/94/455559394.db2.gz UPBFIXFYAIIIGS-AWEZNQCLSA-N 0 1 334.851 3.210 10 70 EGIEMN CCN(C)[C@H](C(=O)NCc1nc2c(cccc2C)[nH]1)c1ccccc1 ZINC000160389961 455453855 /nfs/dbraw/zinc/45/38/55/455453855.db2.gz VEBBPZKNPNWJPD-IBGZPJMESA-N 0 1 336.439 3.181 10 70 EGIEMN O=C([C@@H]1CCCc2[nH]ncc21)N1CC=C(c2ccccc2F)CC1 ZINC000159680027 455395860 /nfs/dbraw/zinc/39/58/60/455395860.db2.gz VHSXUDMJKWAVGP-OAHLLOKOSA-N 0 1 325.387 3.285 10 70 EGIEMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)n2)o1 ZINC000160414921 455456286 /nfs/dbraw/zinc/45/62/86/455456286.db2.gz CLJAVYWQMDEBSM-OLZOCXBDSA-N 0 1 326.331 3.254 10 70 EGIEMN Cc1nnc(-c2cccc(C(=O)NCc3nc4cccc(C)c4[nH]3)c2)o1 ZINC000160469954 455463717 /nfs/dbraw/zinc/46/37/17/455463717.db2.gz UJTVKAYJDLCOMZ-UHFFFAOYSA-N 0 1 347.378 3.160 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)Nc2cc(Cl)ccc2N(C)C)n[nH]1 ZINC000160549286 455472619 /nfs/dbraw/zinc/47/26/19/455472619.db2.gz AZSRHGSOPZEQTO-JTQLQIEISA-N 0 1 335.839 3.190 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2ccc(F)cc2C(F)(F)F)n[nH]1 ZINC000161081967 455530761 /nfs/dbraw/zinc/53/07/61/455530761.db2.gz IDQSARBFXCATAT-QMMMGPOBSA-N 0 1 329.297 3.237 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000161202729 455547392 /nfs/dbraw/zinc/54/73/92/455547392.db2.gz UZCVCGYFYADACZ-SECBINFHSA-N 0 1 326.227 3.315 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n[nH]1 ZINC000161266178 455553596 /nfs/dbraw/zinc/55/35/96/455553596.db2.gz YAWCAXMNTSAHHZ-GFCCVEGCSA-N 0 1 331.464 3.154 10 70 EGIEMN C[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)C[C@@H](c2ccccc2)O1 ZINC000217112510 241236512 /nfs/dbraw/zinc/23/65/12/241236512.db2.gz VAQUTDYMSRBPDG-YWZLYKJASA-N 0 1 334.419 3.490 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C)c(OC(F)F)c2)n[nH]1 ZINC000160378548 225398892 /nfs/dbraw/zinc/39/88/92/225398892.db2.gz LYIPXUPWJYVLRH-JTQLQIEISA-N 0 1 338.358 3.381 10 70 EGIEMN O=C(c1ccc(SC(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159801675 455405263 /nfs/dbraw/zinc/40/52/63/455405263.db2.gz DDUNOWCIMDHOBL-TXEJJXNPSA-N 0 1 330.375 3.265 10 70 EGIEMN CCCCn1ncc(NS(=O)(=O)c2ccc(F)cc2C)c1C ZINC000160143858 455432160 /nfs/dbraw/zinc/43/21/60/455432160.db2.gz MARZQBPULVWVDX-UHFFFAOYSA-N 0 1 325.409 3.240 10 70 EGIEMN O=C(c1cc(-c2ccc(Cl)s2)on1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159490461 455380629 /nfs/dbraw/zinc/38/06/29/455380629.db2.gz VKPIUQWCPCRYJI-AOOOYVTPSA-N 0 1 337.832 3.023 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCCCn1c(C)nc2ccccc21 ZINC000159551906 455385663 /nfs/dbraw/zinc/38/56/63/455385663.db2.gz CKXFGVOPUQAKQK-UHFFFAOYSA-N 0 1 339.443 3.320 10 70 EGIEMN Cc1c(C(=O)NCc2nc3cccc(C)c3[nH]2)cnn1CCC(C)C ZINC000160324671 455449024 /nfs/dbraw/zinc/44/90/24/455449024.db2.gz ILTINZWHEPTPNG-UHFFFAOYSA-N 0 1 339.443 3.352 10 70 EGIEMN Cc1cccc2[nH]c(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)nc21 ZINC000160412870 455455985 /nfs/dbraw/zinc/45/59/85/455455985.db2.gz LRMJOHASWZNLOK-SFHVURJKSA-N 0 1 348.450 3.152 10 70 EGIEMN Cc1cccc2[nH]c(CNC(=O)[C@@H]3CCCN3Cc3ccccc3)nc21 ZINC000160412870 455455994 /nfs/dbraw/zinc/45/59/94/455455994.db2.gz LRMJOHASWZNLOK-SFHVURJKSA-N 0 1 348.450 3.152 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)C(C)(C)Oc2cccc(Cl)c2)n[nH]1 ZINC000161168758 455543221 /nfs/dbraw/zinc/54/32/21/455543221.db2.gz TUBJYJLSBZBGDQ-NSHDSACASA-N 0 1 335.835 3.276 10 70 EGIEMN CS(=O)(=O)CCCCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000161487239 546956183 /nfs/dbraw/zinc/95/61/83/546956183.db2.gz MANOOCIFGRYOAW-UHFFFAOYSA-N 0 1 349.418 3.495 10 70 EGIEMN Cc1cccc([C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)c2ccccn2)c1 ZINC000160219607 225363594 /nfs/dbraw/zinc/36/35/94/225363594.db2.gz HXUCWUNPGIJGFL-UZLBHIALSA-N 0 1 346.434 3.439 10 70 EGIEMN C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2O)O1 ZINC000159875949 455411020 /nfs/dbraw/zinc/41/10/20/455411020.db2.gz AWIBZSXBWMNGQA-QUBYGPBYSA-N 0 1 334.597 3.314 10 70 EGIEMN c1nc(N2CCOCC2)sc1CN1CC=C(c2ccccc2)CC1 ZINC000159750938 455400673 /nfs/dbraw/zinc/40/06/73/455400673.db2.gz VXRUEAQNBCNUAQ-UHFFFAOYSA-N 0 1 341.480 3.269 10 70 EGIEMN Cc1cc(-c2noc(CN3CC[C@]4(O)CCCC[C@@H]4C3)n2)ccc1F ZINC000160683314 455488103 /nfs/dbraw/zinc/48/81/03/455488103.db2.gz KDWASNMHLQNBNO-DNVCBOLYSA-N 0 1 345.418 3.311 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N(C)Cc1ccccc1 ZINC000159819338 455407054 /nfs/dbraw/zinc/40/70/54/455407054.db2.gz ODMZWFICYMQJKK-UHFFFAOYSA-N 0 1 331.485 3.055 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000159878646 455412641 /nfs/dbraw/zinc/41/26/41/455412641.db2.gz YSXJRSXRHRRBCR-JKSUJKDBSA-N 0 1 337.533 3.433 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)n[nH]1 ZINC000160585916 455477222 /nfs/dbraw/zinc/47/72/22/455477222.db2.gz WSKBXXAEQBLPCQ-GUYCJALGSA-N 0 1 329.444 3.322 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2nc(-c3ccco3)sc2C)n[nH]1 ZINC000161495829 455575514 /nfs/dbraw/zinc/57/55/14/455575514.db2.gz YHSVSNJKDYUSAH-VIFPVBQESA-N 0 1 330.413 3.104 10 70 EGIEMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCO[C@@H](c2cccs2)C1 ZINC000161505947 455576698 /nfs/dbraw/zinc/57/66/98/455576698.db2.gz NQHPBQKBFUMWNB-MRXNPFEDSA-N 0 1 339.420 3.352 10 70 EGIEMN CC[C@@H](NC(=O)[C@H](Cc1ccccc1)N(C)C)c1c(C)noc1C ZINC000160714431 546950147 /nfs/dbraw/zinc/95/01/47/546950147.db2.gz XLCGJDBIDJQBJC-SJORKVTESA-N 0 1 329.444 3.032 10 70 EGIEMN Cc1cccc2nc(CNC(=O)c3cnc(-c4ccccc4)nc3)[nH]c21 ZINC000160256522 455442720 /nfs/dbraw/zinc/44/27/20/455442720.db2.gz GSXDHVSDYYTOFA-UHFFFAOYSA-N 0 1 343.390 3.258 10 70 EGIEMN CC[C@H](C(=O)NCc1nc2cccc(C)c2[nH]1)c1c(C)noc1C ZINC000160341333 455449678 /nfs/dbraw/zinc/44/96/78/455449678.db2.gz IANBFGYCAJFCFL-ZDUSSCGKSA-N 0 1 326.400 3.286 10 70 EGIEMN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000160391359 455453986 /nfs/dbraw/zinc/45/39/86/455453986.db2.gz ZSVKCCOKIYDZQE-KBPBESRZSA-N 0 1 338.367 3.124 10 70 EGIEMN C[C@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1nccs1 ZINC000160810939 455501296 /nfs/dbraw/zinc/50/12/96/455501296.db2.gz MPQJWRBWJVAQHR-STQMWFEESA-N 0 1 341.440 3.007 10 70 EGIEMN O=C(c1cnc(-c2ccccc2Cl)s1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159449791 455377221 /nfs/dbraw/zinc/37/72/21/455377221.db2.gz YYSASTXPBKVPQL-TXEJJXNPSA-N 0 1 347.871 3.430 10 70 EGIEMN Cc1ccc(-c2n[nH]c(NC(=O)CSc3ccccc3C)n2)o1 ZINC000160242992 455442008 /nfs/dbraw/zinc/44/20/08/455442008.db2.gz LRYVEKDGDCALJU-UHFFFAOYSA-N 0 1 328.397 3.412 10 70 EGIEMN CCN1CCN(c2ccccc2NC(=O)NCCC2=CCCC2)CC1 ZINC000160322797 455448901 /nfs/dbraw/zinc/44/89/01/455448901.db2.gz RTUVIABJNVMJPL-UHFFFAOYSA-N 0 1 342.487 3.450 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)n[nH]1 ZINC000161098570 455533037 /nfs/dbraw/zinc/53/30/37/455533037.db2.gz VKLDMNQFZWROMK-SNVBAGLBSA-N 0 1 343.818 3.123 10 70 EGIEMN O[C@]12CCCC[C@@H]1CN(Cc1ccn(-c3ccc(F)cc3)n1)CC2 ZINC000161152192 455541221 /nfs/dbraw/zinc/54/12/21/455541221.db2.gz RKIFXFKVTMINHF-BEFAXECRSA-N 0 1 329.419 3.138 10 70 EGIEMN CCC[C@H](C(=O)Nc1ccc(Sc2nccn2C)cc1)N(C)C ZINC000161418298 455568549 /nfs/dbraw/zinc/56/85/49/455568549.db2.gz HYRZWYBOTOOPPU-OAHLLOKOSA-N 0 1 332.473 3.240 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cc3ccc(F)cc3nc2C)n[nH]1 ZINC000161489523 455574431 /nfs/dbraw/zinc/57/44/31/455574431.db2.gz ADFDTIRJIOSOAR-SNVBAGLBSA-N 0 1 326.375 3.075 10 70 EGIEMN C[C@H](c1nnc(-c2cccs2)o1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161184459 546953658 /nfs/dbraw/zinc/95/36/58/546953658.db2.gz ZRMYFBGMEBABHV-PBFPGSCMSA-N 0 1 333.457 3.486 10 70 EGIEMN c1ccc(-c2noc(CCCN3CCO[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000159628120 275066590 /nfs/dbraw/zinc/06/65/90/275066590.db2.gz KFHCVEKQBHHIFS-DLBZAZTESA-N 0 1 327.428 3.313 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000159379848 455373415 /nfs/dbraw/zinc/37/34/15/455373415.db2.gz LABNXBGHHOLTEL-UHFFFAOYSA-N 0 1 326.400 3.221 10 70 EGIEMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@](C)(O)CC ZINC000160461245 455461669 /nfs/dbraw/zinc/46/16/69/455461669.db2.gz AYDIYMFRDQBHGU-OAHLLOKOSA-N 0 1 332.366 3.127 10 70 EGIEMN Cc1cccc2nc(CNC(=O)c3c[nH]nc3-c3ccccc3F)[nH]c21 ZINC000160320631 455447497 /nfs/dbraw/zinc/44/74/97/455447497.db2.gz SVAXCXACCSRJPO-UHFFFAOYSA-N 0 1 349.369 3.331 10 70 EGIEMN C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000160543321 455471442 /nfs/dbraw/zinc/47/14/42/455471442.db2.gz LLWMHLDQOHAIEA-LLVKDONJSA-N 0 1 343.370 3.228 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)Cc2coc3c2ccc(C)c3C)n[nH]1 ZINC000161066694 455528805 /nfs/dbraw/zinc/52/88/05/455528805.db2.gz VXPNTPGAEJWBFW-GFCCVEGCSA-N 0 1 325.412 3.371 10 70 EGIEMN CN(CCc1ccncc1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161355500 455561814 /nfs/dbraw/zinc/56/18/14/455561814.db2.gz IYBMQVDNNYDJEG-UHFFFAOYSA-N 0 1 345.244 3.395 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)Cc2csc(-c3ccc(C)o3)n2)n[nH]1 ZINC000161395854 455565674 /nfs/dbraw/zinc/56/56/74/455565674.db2.gz KOYCLJRTJKBVTM-SNVBAGLBSA-N 0 1 344.440 3.033 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)CSCc2cccc(Cl)c2)n[nH]1 ZINC000161487324 455574389 /nfs/dbraw/zinc/57/43/89/455574389.db2.gz BZSGOOVHZQFSRU-NSHDSACASA-N 0 1 337.876 3.352 10 70 EGIEMN C[C@@H]1CN(Cc2cc3ccccc3[nH]c2=O)C[C@@H](c2ccccc2)O1 ZINC000217112488 241236246 /nfs/dbraw/zinc/23/62/46/241236246.db2.gz VAQUTDYMSRBPDG-QRWLVFNGSA-N 0 1 334.419 3.490 10 70 EGIEMN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c(C)n1Cc1ccccc1 ZINC000160070584 225332632 /nfs/dbraw/zinc/33/26/32/225332632.db2.gz AVNAUUIJMFWWPJ-KDURUIRLSA-N 0 1 337.467 3.120 10 70 EGIEMN C[C@H](COc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000159640901 455391707 /nfs/dbraw/zinc/39/17/07/455391707.db2.gz XCVHPJOHZIUNSS-BEFAXECRSA-N 0 1 344.430 3.260 10 70 EGIEMN CCn1cc(C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cn1 ZINC000160459504 455461404 /nfs/dbraw/zinc/46/14/04/455461404.db2.gz UUOLQNJYNQDGLU-UHFFFAOYSA-N 0 1 335.455 3.468 10 70 EGIEMN O=C(CCCCc1nc2ccccc2s1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160613412 455480441 /nfs/dbraw/zinc/48/04/41/455480441.db2.gz MQGALGPJCGXGDK-GASCZTMLSA-N 0 1 343.496 3.362 10 70 EGIEMN CCc1cccc(CC)c1NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161178089 455544090 /nfs/dbraw/zinc/54/40/90/455544090.db2.gz IJWTVLJMOBJAQD-NQIIRXRSSA-N 0 1 344.499 3.377 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)n[nH]1 ZINC000161193842 455547078 /nfs/dbraw/zinc/54/70/78/455547078.db2.gz WWODOHAQBLUPDE-JTQLQIEISA-N 0 1 343.818 3.123 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)n[nH]1 ZINC000161377634 455565074 /nfs/dbraw/zinc/56/50/74/455565074.db2.gz LFWDUDBYLPJGJJ-YPMHNXCESA-N 0 1 335.835 3.195 10 70 EGIEMN CCCOc1ccc(CCC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161436633 455570154 /nfs/dbraw/zinc/57/01/54/455570154.db2.gz JAFTYUVRGWMGKQ-AWEZNQCLSA-N 0 1 329.444 3.187 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2ccc(Br)cc2C)n[nH]1 ZINC000161480334 455574133 /nfs/dbraw/zinc/57/41/33/455574133.db2.gz IWUHWDSVSBTFLB-JTQLQIEISA-N 0 1 336.233 3.150 10 70 EGIEMN Cc1nnc(SCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)[nH]1 ZINC000159994720 140951099 /nfs/dbraw/zinc/95/10/99/140951099.db2.gz HXJSEYPBHOYCDP-ZDUSSCGKSA-N 0 1 346.456 3.014 10 70 EGIEMN Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160565029 455475000 /nfs/dbraw/zinc/47/50/00/455475000.db2.gz DFDJCLKHUHAKKM-BETUJISGSA-N 0 1 345.830 3.270 10 70 EGIEMN Cc1nnc(SCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)[nH]1 ZINC000159994579 455421215 /nfs/dbraw/zinc/42/12/15/455421215.db2.gz HXJSEYPBHOYCDP-CYBMUJFWSA-N 0 1 346.456 3.014 10 70 EGIEMN Cc1cnn(-c2ccc(C(=O)Nc3nc(-c4ccc(C)o4)n[nH]3)cc2)c1 ZINC000160219040 455439281 /nfs/dbraw/zinc/43/92/81/455439281.db2.gz VJCQWENUYYBIJU-UHFFFAOYSA-N 0 1 348.366 3.120 10 70 EGIEMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000160608705 455479891 /nfs/dbraw/zinc/47/98/91/455479891.db2.gz IRFBZCNDYPBMIJ-AWEZNQCLSA-N 0 1 327.432 3.200 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)c2csc(-c3ccc(C)o3)n2)n[nH]1 ZINC000161136655 455538523 /nfs/dbraw/zinc/53/85/23/455538523.db2.gz ILZMVVVNAVFZLG-VIFPVBQESA-N 0 1 330.413 3.104 10 70 EGIEMN CCC1(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCC1 ZINC000161298749 455556528 /nfs/dbraw/zinc/55/65/28/455556528.db2.gz SKUDZFAFPJDALE-OAHLLOKOSA-N 0 1 330.476 3.239 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2ccccc2C(=O)c2ccccc2)n[nH]1 ZINC000161458441 455572311 /nfs/dbraw/zinc/57/23/11/455572311.db2.gz BGYRJSOETFFSJU-CQSZACIVSA-N 0 1 347.418 3.310 10 70 EGIEMN Brc1ccc(OCCN2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000217345288 266195067 /nfs/dbraw/zinc/19/50/67/266195067.db2.gz FKZMDOXRHTUKTJ-CVEARBPZSA-N 0 1 340.261 3.471 10 70 EGIEMN CC1(C)C[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)c2ccccc2O1 ZINC000159876820 278385650 /nfs/dbraw/zinc/38/56/50/278385650.db2.gz JXWFALPLTXCICR-LRDDRELGSA-N 0 1 325.412 3.248 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000159829533 455408135 /nfs/dbraw/zinc/40/81/35/455408135.db2.gz ZATRZMSECINFBI-AWEZNQCLSA-N 0 1 335.517 3.186 10 70 EGIEMN C[C@H](NC(=O)[C@H](C)N(C)Cc1cccc(N(C)C)c1)c1ccccc1 ZINC000159842275 455408844 /nfs/dbraw/zinc/40/88/44/455408844.db2.gz PCSNEEBLTFGXBA-IRXDYDNUSA-N 0 1 339.483 3.450 10 70 EGIEMN C[C@@H](N[C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1nccs1 ZINC000160811203 455500941 /nfs/dbraw/zinc/50/09/41/455500941.db2.gz MPQJWRBWJVAQHR-QWHCGFSZSA-N 0 1 341.440 3.007 10 70 EGIEMN Cc1ccc([C@@H]2CN(CC3CCN(C(=O)C(C)(C)C)CC3)CCO2)o1 ZINC000161029482 455524954 /nfs/dbraw/zinc/52/49/54/455524954.db2.gz UWLIMGHTCJXGII-SFHVURJKSA-N 0 1 348.487 3.246 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)n[nH]1 ZINC000161068863 455530122 /nfs/dbraw/zinc/53/01/22/455530122.db2.gz LASSMLUNBMQPRT-VIFPVBQESA-N 0 1 326.227 3.315 10 70 EGIEMN COc1ccccc1C[C@@H](C)CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161161917 455541928 /nfs/dbraw/zinc/54/19/28/455541928.db2.gz IEROLWNELDSUEU-KGLIPLIRSA-N 0 1 329.444 3.043 10 70 EGIEMN COc1ccccc1C[C@H](C)CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161161730 455542149 /nfs/dbraw/zinc/54/21/49/455542149.db2.gz IEROLWNELDSUEU-KBPBESRZSA-N 0 1 329.444 3.043 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)Cc2csc(-c3ccccc3)n2)n[nH]1 ZINC000161232910 455550622 /nfs/dbraw/zinc/55/06/22/455550622.db2.gz NYTSNWKDWXBCAT-LBPRGKRZSA-N 0 1 340.452 3.132 10 70 EGIEMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCC(C)(C)C2)CC1 ZINC000161263606 455553556 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Cc1cc(C[C@@H](C)NC(=O)NCc2cccc(-c3ccccn3)c2)n[nH]1 ZINC000159764637 455401667 /nfs/dbraw/zinc/40/16/67/455401667.db2.gz CQTGKELTPKFIMN-CQSZACIVSA-N 0 1 349.438 3.211 10 70 EGIEMN O=C(c1ccc(C2SCCS2)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160341778 455449372 /nfs/dbraw/zinc/44/93/72/455449372.db2.gz CIXWSOORWRAFQU-GASCZTMLSA-N 0 1 334.510 3.132 10 70 EGIEMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CCOc4ccccc43)n2)o1 ZINC000160276278 455443513 /nfs/dbraw/zinc/44/35/13/455443513.db2.gz WPZDFAPKUIWYJZ-LBPRGKRZSA-N 0 1 338.367 3.268 10 70 EGIEMN Cc1cccc2nc(CNC(=O)c3c[nH]nc3-c3ccc(F)cc3)[nH]c21 ZINC000160549506 455472587 /nfs/dbraw/zinc/47/25/87/455472587.db2.gz XYGNDUMOOOAFRA-UHFFFAOYSA-N 0 1 349.369 3.331 10 70 EGIEMN Cc1cccc(NC(=O)[C@H](C)N2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000160780729 455497995 /nfs/dbraw/zinc/49/79/95/455497995.db2.gz PFRSLNVCTFKQII-SQGPQFPESA-N 0 1 330.472 3.257 10 70 EGIEMN Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161111812 455534605 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/nfs/dbraw/zinc/50/75/66/455507566.db2.gz ANSUFXNQVVLUCD-UHFFFAOYSA-N 0 1 331.412 3.389 10 70 EGIEMN C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cncs1 ZINC000161058573 455528754 /nfs/dbraw/zinc/52/87/54/455528754.db2.gz CKGFAXRGNHUUBF-CQSZACIVSA-N 0 1 325.437 3.204 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)CSCc2ccc(Cl)cc2)n[nH]1 ZINC000161089955 455532153 /nfs/dbraw/zinc/53/21/53/455532153.db2.gz HLPSPKCGWZVPRC-NSHDSACASA-N 0 1 337.876 3.352 10 70 EGIEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160191840 455435900 /nfs/dbraw/zinc/43/59/00/455435900.db2.gz PFYYTIRNHWYOJS-SJORKVTESA-N 0 1 328.481 3.415 10 70 EGIEMN Cc1cccc2nc(CNC(=O)c3cc(-c4ccccc4)no3)[nH]c21 ZINC000160432025 455458075 /nfs/dbraw/zinc/45/80/75/455458075.db2.gz CYTDDGGARTVUSD-UHFFFAOYSA-N 0 1 332.363 3.456 10 70 EGIEMN CCn1ccc2ccc(NC(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc21 ZINC000160671181 455486044 /nfs/dbraw/zinc/48/60/44/455486044.db2.gz VBOFVLLGLZYPCJ-GFCCVEGCSA-N 0 1 325.416 3.445 10 70 EGIEMN COc1c(CN2CCC(c3nc4ccccc4o3)CC2)c(C)nn1C ZINC000161060909 455529032 /nfs/dbraw/zinc/52/90/32/455529032.db2.gz DNNISIKABPRCCJ-UHFFFAOYSA-N 0 1 340.427 3.258 10 70 EGIEMN Cc1ccn(-c2ccccc2NC(=O)Cc2n[nH]c3ccccc32)n1 ZINC000161141500 455539171 /nfs/dbraw/zinc/53/91/71/455539171.db2.gz FQLCOYLHNRXCJM-UHFFFAOYSA-N 0 1 331.379 3.238 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)CCCOc2ccc(C)c(C)c2)n[nH]1 ZINC000161184033 225569767 /nfs/dbraw/zinc/56/97/67/225569767.db2.gz DYCUJOZWOMAHTO-HNNXBMFYSA-N 0 1 329.444 3.241 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000159389451 455374045 /nfs/dbraw/zinc/37/40/45/455374045.db2.gz BHJBQINMEPNOSK-UHFFFAOYSA-N 0 1 326.400 3.221 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000159825650 455407287 /nfs/dbraw/zinc/40/72/87/455407287.db2.gz LMYCVGZQZZTLBU-UHFFFAOYSA-N 0 1 337.427 3.016 10 70 EGIEMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C)n(-c4ccccc4)n3)n2)o1 ZINC000160430029 455458018 /nfs/dbraw/zinc/45/80/18/455458018.db2.gz FTLKFFVMTCESSU-UHFFFAOYSA-N 0 1 348.366 3.120 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)[C@H](OC(C)(C)C)c2ccccc2)n[nH]1 ZINC000160585642 455477772 /nfs/dbraw/zinc/47/77/72/455477772.db2.gz WSKBXXAEQBLPCQ-SUMWQHHRSA-N 0 1 329.444 3.322 10 70 EGIEMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000160608564 455480272 /nfs/dbraw/zinc/48/02/72/455480272.db2.gz IRFBZCNDYPBMIJ-CQSZACIVSA-N 0 1 327.432 3.200 10 70 EGIEMN Cn1nccc1C1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000160652080 455484379 /nfs/dbraw/zinc/48/43/79/455484379.db2.gz GFUPIDIQRVQYFH-UHFFFAOYSA-N 0 1 347.846 3.224 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(F)cc2OCC2CC2)n[nH]1 ZINC000160856076 455505779 /nfs/dbraw/zinc/50/57/79/455505779.db2.gz YZKQYURXPHLXHN-LLVKDONJSA-N 0 1 346.406 3.399 10 70 EGIEMN O=c1ccccn1Cc1ccc(CNCc2cc(F)cc(F)c2)cc1 ZINC000160854885 546950785 /nfs/dbraw/zinc/95/07/85/546950785.db2.gz ZBAPZOOTTVJIHD-UHFFFAOYSA-N 0 1 340.373 3.465 10 70 EGIEMN Brc1cccc(OCCN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000217346372 266194798 /nfs/dbraw/zinc/19/47/98/266194798.db2.gz MVAVUTUDNGSJEX-CVEARBPZSA-N 0 1 340.261 3.471 10 70 EGIEMN CC(C)N(CCc1nccs1)CC(=O)N(C)Cc1cccs1 ZINC000159899483 455413394 /nfs/dbraw/zinc/41/33/94/455413394.db2.gz DDOWLZVHOIOJDP-UHFFFAOYSA-N 0 1 337.514 3.116 10 70 EGIEMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@](C)(O)CC ZINC000160425047 455457460 /nfs/dbraw/zinc/45/74/60/455457460.db2.gz HFKICODRBNSYKJ-HNNXBMFYSA-N 0 1 333.259 3.415 10 70 EGIEMN Cc1cccc(CNC(=O)CN(CCc2nccs2)C(C)C)c1 ZINC000159773485 455402777 /nfs/dbraw/zinc/40/27/77/455402777.db2.gz KLTHUEKDNOWANJ-UHFFFAOYSA-N 0 1 331.485 3.021 10 70 EGIEMN Cc1cccc(-c2nc(CC(=O)N3C[C@H]4CCC[C@@H](C3)N4)cs2)c1 ZINC000159932362 455416828 /nfs/dbraw/zinc/41/68/28/455416828.db2.gz YJKOZRJGZMMJIV-IYBDPMFKSA-N 0 1 341.480 3.014 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)CCCOc2ccccc2Cl)n[nH]1 ZINC000161273371 455554868 /nfs/dbraw/zinc/55/48/68/455554868.db2.gz VGSYHBWEXTYTSY-GFCCVEGCSA-N 0 1 335.835 3.278 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(-n3cccc3)c(F)c2)n[nH]1 ZINC000161426622 455569821 /nfs/dbraw/zinc/56/98/21/455569821.db2.gz AWQZEJPWDSOSCG-GFCCVEGCSA-N 0 1 326.375 3.009 10 70 EGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cc(Cl)ccc2OC(F)F)n[nH]1 ZINC000161445811 455571149 /nfs/dbraw/zinc/57/11/49/455571149.db2.gz XBKPUUFQDJYNOG-MRVPVSSYSA-N 0 1 343.761 3.334 10 70 EGIEMN Cc1cc(C[C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)n[nH]1 ZINC000161454827 455571966 /nfs/dbraw/zinc/57/19/66/455571966.db2.gz ISFIFKHFMOMBQE-LBPRGKRZSA-N 0 1 335.835 3.115 10 70 EGIEMN O=C(Cc1coc2ccc3ccccc3c12)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159851437 307880872 /nfs/dbraw/zinc/88/08/72/307880872.db2.gz YWUXVXQKXHEZCH-CALCHBBNSA-N 0 1 334.419 3.481 10 70 EGIEMN CCc1c(C(=O)NCc2nc3cccc(C)c3[nH]2)[nH]c(C)c1C(C)=O ZINC000160576441 455476836 /nfs/dbraw/zinc/47/68/36/455476836.db2.gz QCUXLSXIRUSWPG-UHFFFAOYSA-N 0 1 338.411 3.203 10 70 EGIEMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000159575899 455386476 /nfs/dbraw/zinc/38/64/76/455386476.db2.gz 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