smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c2[nH]c(Cc3cccc(Br)c3)nc2c(=O)[nH]c1=O ZINC000159785750 201410098 /nfs/dbraw/zinc/41/00/98/201410098.db2.gz JGJOKRVRYAVZOD-UHFFFAOYSA-N 0 0 349.188 1.786 10 70 EDIERN CC(C)([C@H](NN)c1sccc1Br)S(C)(=O)=O ZINC000160144568 201412225 /nfs/dbraw/zinc/41/22/25/201412225.db2.gz SYBQGPBOFVMARG-MRVPVSSYSA-N 0 0 327.269 1.838 10 70 EDIERN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccc(NC(N)=O)cc1 ZINC000161308541 206340302 /nfs/dbraw/zinc/34/03/02/206340302.db2.gz DHGRBNDTCSBQPB-GXFFZTMASA-N 0 0 343.391 1.144 10 70 EDIERN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N[C@@H]1CCc2ncnn2C1 ZINC000159713733 279903004 /nfs/dbraw/zinc/90/30/04/279903004.db2.gz GIVORDXECYFQAN-BZUAXINKSA-N 0 0 341.415 1.812 10 70 EDIERN C[C@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)C(=O)N1CCCCC1 ZINC000159646037 441825607 /nfs/dbraw/zinc/82/56/07/441825607.db2.gz HJPTVAZAMPSGOG-KBPBESRZSA-N 0 0 349.435 1.442 10 70 EDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000160721753 441913045 /nfs/dbraw/zinc/91/30/45/441913045.db2.gz HGYZKFSKFKEUGX-UHFFFAOYSA-N 0 0 345.403 1.619 10 70 EDIERN Cn1cc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C(F)(F)F)n1 ZINC000160858052 441928743 /nfs/dbraw/zinc/92/87/43/441928743.db2.gz ZWRRALXMKKJDRW-MWLCHTKSSA-N 0 0 334.342 1.789 10 70 EDIERN CCC(CC)[C@H](O)CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161469014 442003088 /nfs/dbraw/zinc/00/30/88/442003088.db2.gz URTWTHJBFNCBNQ-UONOGXRCSA-N 0 0 337.468 1.813 10 70 EDIERN CN(C)c1nc(CN2CCC(N(C)c3cccnn3)CC2)ns1 ZINC000159893135 318421384 /nfs/dbraw/zinc/42/13/84/318421384.db2.gz QLQVWWHOOQAXDK-UHFFFAOYSA-N 0 0 333.465 1.495 10 70 EDIERN NC(=S)c1ccc(Cl)c(S(=O)(=O)NCc2cscn2)c1 ZINC000160885586 202224761 /nfs/dbraw/zinc/22/47/61/202224761.db2.gz VXSSEOSMPQZWDU-UHFFFAOYSA-N 0 0 347.874 1.909 10 70 EDIERN NN[C@H](c1cscc1Br)[C@@H]1CCCCS1(=O)=O ZINC000159391807 201409253 /nfs/dbraw/zinc/40/92/53/201409253.db2.gz DSBCBZFTFOPEHF-VHSXEESVSA-N 0 0 339.280 1.982 10 70 EDIERN C[C@H]1COCCN1S(=O)(=O)c1cc(C(N)=S)ccc1Cl ZINC000160852980 201413509 /nfs/dbraw/zinc/41/35/09/201413509.db2.gz WEDGTZAZYIXJDW-QMMMGPOBSA-N 0 0 334.850 1.384 10 70 EDIERN Nc1cccc(-c2nnnn2C2CCS(=O)(=O)CC2)c1Cl ZINC000161379331 205574351 /nfs/dbraw/zinc/57/43/51/205574351.db2.gz RXQYZCGLRQJYSP-UHFFFAOYSA-N 0 0 327.797 1.325 10 70 EDIERN Cc1cnn(Cc2cc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)no2)c1 ZINC000159753943 206262933 /nfs/dbraw/zinc/26/29/33/206262933.db2.gz TXVZZAOEECQMSM-KDOFPFPSSA-N 0 0 344.415 1.995 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCC(N(C)c2cccnn2)CC1 ZINC000159892665 206268106 /nfs/dbraw/zinc/26/81/06/206268106.db2.gz MWYMUAVVMJKHOW-KRWDZBQOSA-N 0 0 341.415 1.687 10 70 EDIERN Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000161046942 206324670 /nfs/dbraw/zinc/32/46/70/206324670.db2.gz XGVYUGNHJNIAOM-OAHLLOKOSA-N 0 0 340.431 1.433 10 70 EDIERN C[C@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)C(=O)N1CCCCC1 ZINC000160360854 225396380 /nfs/dbraw/zinc/39/63/80/225396380.db2.gz FZUUELMELRFGQP-ZDUSSCGKSA-N 0 0 333.436 1.700 10 70 EDIERN O=C(c1ncn(-c2ccccc2)n1)N1CC[C@H](Oc2cccnc2)C1 ZINC000160230208 441865865 /nfs/dbraw/zinc/86/58/65/441865865.db2.gz VIQDBMXENDCDRQ-INIZCTEOSA-N 0 0 335.367 1.956 10 70 EDIERN COc1ccccc1OCCN(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161026491 441948070 /nfs/dbraw/zinc/94/80/70/441948070.db2.gz GGJYAUPMBQKPMC-CYBMUJFWSA-N 0 0 345.403 1.322 10 70 EDIERN Cc1noc([C@@H]2COCCN2CC(=O)N(C2CC2)C2CCCC2)n1 ZINC000161044577 441949772 /nfs/dbraw/zinc/94/97/72/441949772.db2.gz NWKZSHQNSJVUDG-HNNXBMFYSA-N 0 0 334.420 1.685 10 70 EDIERN CSC[C@](C)(O)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161479913 442004882 /nfs/dbraw/zinc/00/48/82/442004882.db2.gz OSPBYJOLKULGPN-IAQYHMDHSA-N 0 0 341.481 1.130 10 70 EDIERN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)s2)o1 ZINC000159483018 201409676 /nfs/dbraw/zinc/40/96/76/201409676.db2.gz LYZGUVUJNOOJFO-LURJTMIESA-N 0 0 329.403 1.491 10 70 EDIERN CS(=O)(=O)[C@H]1CSCCN1CCC(=O)c1ccc(F)cn1 ZINC000161197440 205568485 /nfs/dbraw/zinc/56/84/85/205568485.db2.gz BLVFHVMWHKVDPZ-ZDUSSCGKSA-N 0 0 332.422 1.213 10 70 EDIERN CN1C(=O)C[C@@H](C(=O)NCCn2cccn2)[C@@H]1c1ccc(F)cc1 ZINC000159732858 206260623 /nfs/dbraw/zinc/26/06/23/206260623.db2.gz BQWLBMOEQDILFP-ZBFHGGJFSA-N 0 0 330.363 1.358 10 70 EDIERN COC(=O)[C@@H]1CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000160763185 206313362 /nfs/dbraw/zinc/31/33/62/206313362.db2.gz FDIQCHPRWKMROC-SECBINFHSA-N 0 0 348.325 1.534 10 70 EDIERN Cn1cc(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)c(C(F)(F)F)n1 ZINC000160819043 206313715 /nfs/dbraw/zinc/31/37/15/206313715.db2.gz KFYZOAVWSUFCIF-ONGXEEELSA-N 0 0 334.342 1.789 10 70 EDIERN COCCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160966106 206321620 /nfs/dbraw/zinc/32/16/20/206321620.db2.gz MQJPWBLUZRVEEO-OAHLLOKOSA-N 0 0 329.404 1.451 10 70 EDIERN NC(=O)NC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161139211 206329790 /nfs/dbraw/zinc/32/97/90/206329790.db2.gz CFLTWCDRFUOUCZ-GHMZBOCLSA-N 0 0 331.294 1.008 10 70 EDIERN CCC[C@@H](NC(=O)c1nc2nccc(C)n2n1)C(=O)OC(C)(C)C ZINC000161357102 206342970 /nfs/dbraw/zinc/34/29/70/206342970.db2.gz JDPCBCBTPSJWDY-LLVKDONJSA-N 0 0 333.392 1.673 10 70 EDIERN CN(C[C@H](O)CN1CCOCC1)c1ccnc2c(F)cc(F)cc12 ZINC000159884221 441844580 /nfs/dbraw/zinc/84/45/80/441844580.db2.gz HHUITDDEKBRUDR-ZDUSSCGKSA-N 0 0 337.370 1.642 10 70 EDIERN COCCN1CCN(C(=O)[C@@H](C)Oc2cccc(CO)c2)C[C@@H]1C ZINC000160893111 441932791 /nfs/dbraw/zinc/93/27/91/441932791.db2.gz SNWAJJHOWONVDG-LSDHHAIUSA-N 0 0 336.432 1.125 10 70 EDIERN Cc1noc([C@H]2COCCN2CCn2cnc3ccccc3c2=O)n1 ZINC000160967187 441941464 /nfs/dbraw/zinc/94/14/64/441941464.db2.gz GMAIRUIJBAGSGL-OAHLLOKOSA-N 0 0 341.371 1.161 10 70 EDIERN Cc1cnn(Cc2cc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)no2)c1 ZINC000159754191 206261970 /nfs/dbraw/zinc/26/19/70/206261970.db2.gz TXVZZAOEECQMSM-KSSFIOAISA-N 0 0 344.415 1.995 10 70 EDIERN CC(C)N1CC[C@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1=O ZINC000160028491 206276879 /nfs/dbraw/zinc/27/68/79/206276879.db2.gz RQEYNQDGTNPGAT-AWEZNQCLSA-N 0 0 333.436 1.318 10 70 EDIERN COc1ccc2c(c1)CN(C(=O)N[C@@H]1CCc3ncnn3C1)CC2 ZINC000160918236 206318895 /nfs/dbraw/zinc/31/88/95/206318895.db2.gz NOQRHOXKLGCNTF-CQSZACIVSA-N 0 0 327.388 1.369 10 70 EDIERN CCn1cc(C2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)cn1 ZINC000161113946 206330228 /nfs/dbraw/zinc/33/02/28/206330228.db2.gz IJJWWMNGTPYLOL-HNNXBMFYSA-N 0 0 343.435 1.399 10 70 EDIERN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000161170554 206332802 /nfs/dbraw/zinc/33/28/02/206332802.db2.gz PEEQSOWNTCUPIX-PBHICJAKSA-N 0 0 341.411 1.724 10 70 EDIERN CCC[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)OC(C)(C)C ZINC000161328832 206342039 /nfs/dbraw/zinc/34/20/39/206342039.db2.gz CPVNVFBXBMXRIM-CYBMUJFWSA-N 0 0 345.403 1.903 10 70 EDIERN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C[C@H](O)C(C)C)cc1 ZINC000161375150 206344490 /nfs/dbraw/zinc/34/44/90/206344490.db2.gz AUCDXUXIGXGDRW-HNNXBMFYSA-N 0 0 342.461 1.139 10 70 EDIERN O=C(Nc1cc2c(cc1Cl)OCCO2)N[C@@H]1CCc2ncnn2C1 ZINC000160984838 280010894 /nfs/dbraw/zinc/01/08/94/280010894.db2.gz LLSRBGKBPDLARP-SECBINFHSA-N 0 0 349.778 1.839 10 70 EDIERN NC(=O)c1cnn2c1nccc2C(=O)N1CCC[C@@H]1c1ccco1 ZINC000160218450 441866025 /nfs/dbraw/zinc/86/60/25/441866025.db2.gz CPGPACQLQMEKIZ-LLVKDONJSA-N 0 0 325.328 1.399 10 70 EDIERN CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1 ZINC000160967877 441941103 /nfs/dbraw/zinc/94/11/03/441941103.db2.gz DBQRWFWONZMNGW-CYBMUJFWSA-N 0 0 342.403 1.473 10 70 EDIERN CCO[C@@H](CCNC(=O)N1CCC[C@H]1C(=O)NC)C1CCCC1 ZINC000159430686 540009544 /nfs/dbraw/zinc/00/95/44/540009544.db2.gz LETDURHZMIHJBT-GJZGRUSLSA-N 0 0 325.453 1.892 10 70 EDIERN Nc1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1Cl ZINC000160226271 201411935 /nfs/dbraw/zinc/41/19/35/201411935.db2.gz VXRDRTKEDVNXIQ-UHFFFAOYSA-N 0 0 325.777 1.822 10 70 EDIERN COCCCN(Cc1ccncc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161013499 206323160 /nfs/dbraw/zinc/32/31/60/206323160.db2.gz DQURAQKYCQDHIT-OAHLLOKOSA-N 0 0 344.419 1.236 10 70 EDIERN CCC[C@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)OC(C)(C)C ZINC000161378167 206344616 /nfs/dbraw/zinc/34/46/16/206344616.db2.gz JEOXRWMMRNDIMY-LBPRGKRZSA-N 0 0 337.420 1.846 10 70 EDIERN COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)nn1 ZINC000159999592 441853122 /nfs/dbraw/zinc/85/31/22/441853122.db2.gz OQFOLTDGLVGZDA-OAHLLOKOSA-N 0 0 346.435 1.181 10 70 EDIERN CS(=O)(=O)Cc1nc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 ZINC000160913622 441935193 /nfs/dbraw/zinc/93/51/93/441935193.db2.gz HJVZPTCHNKGDLS-DOMZBBRYSA-N 0 0 344.502 1.815 10 70 EDIERN Cc1ccn2c(CN3CCN(C(=O)[C@H]4CCCO4)CC3)cnc2c1 ZINC000160991860 441943909 /nfs/dbraw/zinc/94/39/09/441943909.db2.gz SKCQMOJGIBJYHB-MRXNPFEDSA-N 0 0 328.416 1.466 10 70 EDIERN CCc1nn(C)cc1CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000161103376 441958008 /nfs/dbraw/zinc/95/80/08/441958008.db2.gz WDPQEALIKLKQEK-UHFFFAOYSA-N 0 0 342.447 1.405 10 70 EDIERN O=C(CCN1C(=O)CCc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000159976087 205543823 /nfs/dbraw/zinc/54/38/23/205543823.db2.gz HHQYSIRAVFQINU-AWEZNQCLSA-N 0 0 339.399 1.079 10 70 EDIERN CNC(=O)[C@H]1CCCN1C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000159860263 206266428 /nfs/dbraw/zinc/26/64/28/206266428.db2.gz IVPPLIAULGNXGO-GFCCVEGCSA-N 0 0 345.428 1.625 10 70 EDIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(-c2ccco2)on1 ZINC000159960688 206272968 /nfs/dbraw/zinc/27/29/68/206272968.db2.gz LUYVISVCDIXYSE-SNVBAGLBSA-N 0 0 343.343 1.937 10 70 EDIERN CC(C)[C@H](O)CC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000160815416 206314698 /nfs/dbraw/zinc/31/46/98/206314698.db2.gz BWMLBRQXAZVIFF-GOEBONIOSA-N 0 0 334.416 1.190 10 70 EDIERN COC[C@@H](O)CCNC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000160939473 206320281 /nfs/dbraw/zinc/32/02/81/206320281.db2.gz AHLCLLIGHZQZRY-GOEBONIOSA-N 0 0 336.432 1.263 10 70 EDIERN CC(C)[C@H](O)CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000161383165 206344284 /nfs/dbraw/zinc/34/42/84/206344284.db2.gz AXTKPUARZWMLTD-GOSISDBHSA-N 0 0 349.475 1.658 10 70 EDIERN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000159766932 206261905 /nfs/dbraw/zinc/26/19/05/206261905.db2.gz LJCJFMNPLPSYHL-GFCCVEGCSA-N 0 0 334.420 1.326 10 70 EDIERN Cn1cc([C@H]2[C@@H](C(=O)NCCC3=CCCC3)CCC(=O)N2C)cn1 ZINC000160293293 206287830 /nfs/dbraw/zinc/28/78/30/206287830.db2.gz NHNPXONSDYMPHI-RDJZCZTQSA-N 0 0 330.432 1.946 10 70 EDIERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccccc1N1CCC(CO)CC1 ZINC000160344765 206291997 /nfs/dbraw/zinc/29/19/97/206291997.db2.gz GCULYIKZJUHCQP-KGLIPLIRSA-N 0 0 332.400 1.643 10 70 EDIERN CS(=O)(=O)c1csc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000160926650 206319957 /nfs/dbraw/zinc/31/99/57/206319957.db2.gz NKZPLVQLXKWYCK-NEPJUHHUSA-N 0 0 329.443 1.935 10 70 EDIERN CCC[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)OC(C)(C)C ZINC000161402499 206347027 /nfs/dbraw/zinc/34/70/27/206347027.db2.gz DCZUUFYXMRTHDG-AWEZNQCLSA-N 0 0 345.403 1.903 10 70 EDIERN Cc1cccc2[nH]c(CCC(=O)N3C[C@H]4OCCN(C)[C@@H]4C3)nc21 ZINC000159702890 441830256 /nfs/dbraw/zinc/83/02/56/441830256.db2.gz ITNQBUZRWSQNHE-HUUCEWRRSA-N 0 0 328.416 1.345 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCCN(c2ccc(C)nn2)CC1 ZINC000159882220 441844725 /nfs/dbraw/zinc/84/47/25/441844725.db2.gz AWZQFWWIYFGUPS-KRWDZBQOSA-N 0 0 341.415 1.606 10 70 EDIERN Cc1cccc([C@H]2CCCN2C(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000159898472 441846102 /nfs/dbraw/zinc/84/61/02/441846102.db2.gz QMYMWMJROCEACW-DOTOQJQBSA-N 0 0 332.448 1.957 10 70 EDIERN CCc1nnc([C@H]2CN(c3nc(C(C)C)nc(N(C)C)n3)CCO2)[nH]1 ZINC000160605795 441900896 /nfs/dbraw/zinc/90/08/96/441900896.db2.gz JRXQGXSWOYGRMB-LLVKDONJSA-N 0 0 346.439 1.319 10 70 EDIERN CS(=O)(=O)Cc1nc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cs1 ZINC000160913494 441935675 /nfs/dbraw/zinc/93/56/75/441935675.db2.gz HJVZPTCHNKGDLS-IUODEOHRSA-N 0 0 344.502 1.815 10 70 EDIERN COCCOc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000161021260 441947999 /nfs/dbraw/zinc/94/79/99/441947999.db2.gz UNEJEGGNNVROLR-LBPRGKRZSA-N 0 0 331.376 1.440 10 70 EDIERN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161090241 441955235 /nfs/dbraw/zinc/95/52/35/441955235.db2.gz SEHLEHRKWLJZQF-SJKOYZFVSA-N 0 0 335.404 1.638 10 70 EDIERN COc1cccc(OCCCNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000161114400 441959435 /nfs/dbraw/zinc/95/94/35/441959435.db2.gz RTRFUPGUZOARHR-ZDUSSCGKSA-N 0 0 345.403 1.370 10 70 EDIERN CNC(=O)[C@H]1COCCN1CC(=O)c1cccc(Br)c1 ZINC000160130196 529929258 /nfs/dbraw/zinc/92/92/58/529929258.db2.gz UOOBGWPYBHQDLK-GFCCVEGCSA-N 0 0 341.205 1.079 10 70 EDIERN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@@H](O)C(C)C)CC2 ZINC000160902870 206317576 /nfs/dbraw/zinc/31/75/76/206317576.db2.gz ZOWCZUUPUMPPIN-OAHLLOKOSA-N 0 0 340.445 1.281 10 70 EDIERN COC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1C ZINC000160932695 206320271 /nfs/dbraw/zinc/32/02/71/206320271.db2.gz CZYOCKYXWPQWPJ-GFCCVEGCSA-N 0 0 330.388 1.781 10 70 EDIERN COC[C@H](O)CCNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000160939609 206320323 /nfs/dbraw/zinc/32/03/23/206320323.db2.gz AHLCLLIGHZQZRY-ZBFHGGJFSA-N 0 0 336.432 1.263 10 70 EDIERN O=C(Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000160980287 206320940 /nfs/dbraw/zinc/32/09/40/206320940.db2.gz LZPPWJPVPHVOBC-CQSZACIVSA-N 0 0 340.387 1.763 10 70 EDIERN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000161170663 206333211 /nfs/dbraw/zinc/33/32/11/206333211.db2.gz PEEQSOWNTCUPIX-YOEHRIQHSA-N 0 0 341.411 1.724 10 70 EDIERN NC(=O)c1cnn2c1nccc2C(=O)N1CCC[C@H]1c1ccco1 ZINC000160218310 441866382 /nfs/dbraw/zinc/86/63/82/441866382.db2.gz CPGPACQLQMEKIZ-NSHDSACASA-N 0 0 325.328 1.399 10 70 EDIERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N1CCc2ccccc21 ZINC000161215478 441973343 /nfs/dbraw/zinc/97/33/43/441973343.db2.gz KZPKYXWNHJAGEL-UHFFFAOYSA-N 0 0 347.440 1.968 10 70 EDIERN CCNC(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000161221949 441973547 /nfs/dbraw/zinc/97/35/47/441973547.db2.gz OFYXNHJBKYONOV-CYBMUJFWSA-N 0 0 342.403 1.473 10 70 EDIERN CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2cc(C)nn2C)C1 ZINC000161286509 441980578 /nfs/dbraw/zinc/98/05/78/441980578.db2.gz RFDFRNSHHMDNBA-ZDUSSCGKSA-N 0 0 331.424 1.158 10 70 EDIERN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000160552784 491019314 /nfs/dbraw/zinc/01/93/14/491019314.db2.gz JJKYIRRQXBCHDX-VIFPVBQESA-N 0 0 347.341 1.366 10 70 EDIERN COC(=O)[C@H](NCCn1cc(C)cn1)c1cc(OC)cc(OC)c1 ZINC000159605812 533336375 /nfs/dbraw/zinc/33/63/75/533336375.db2.gz NAQNLQDWEKNKHP-MRXNPFEDSA-N 0 0 333.388 1.713 10 70 EDIERN COC(=O)[C@@H](c1cccnc1)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000159941838 225307160 /nfs/dbraw/zinc/30/71/60/225307160.db2.gz QEKAVRKEXPXQIU-IUODEOHRSA-N 0 0 345.403 1.366 10 70 EDIERN O=C1CC[C@@H]2CN(S(=O)(=O)c3cnc(Cl)s3)CC[C@H]2N1 ZINC000160181015 225357480 /nfs/dbraw/zinc/35/74/80/225357480.db2.gz RGMMWCQYQJIMKP-HTQZYQBOSA-N 0 0 335.838 1.086 10 70 EDIERN CCCC[C@@H](NC(=O)Cn1nnnc1C(C)C)C(=O)OC(C)(C)C ZINC000161264546 441978357 /nfs/dbraw/zinc/97/83/57/441978357.db2.gz XIEBPYRWRLSPPN-GFCCVEGCSA-N 0 0 339.440 1.813 10 70 EDIERN Cn1cc(CN2CCCN(C(=O)Nc3ccc(F)nc3)CC2)cn1 ZINC000161264583 441978723 /nfs/dbraw/zinc/97/87/23/441978723.db2.gz UHUJTJCSWRMIRT-UHFFFAOYSA-N 0 0 332.383 1.694 10 70 EDIERN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000161090456 441955305 /nfs/dbraw/zinc/95/53/05/441955305.db2.gz SEHLEHRKWLJZQF-YVEFUNNKSA-N 0 0 335.404 1.638 10 70 EDIERN CC(C)NC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161166558 441965255 /nfs/dbraw/zinc/96/52/55/441965255.db2.gz SMIJDAIGMPWDJD-CQSZACIVSA-N 0 0 342.403 1.553 10 70 EDIERN CCn1cnnc1[C@@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 ZINC000161329767 441985966 /nfs/dbraw/zinc/98/59/66/441985966.db2.gz DDYIWFPTKUNALK-OAHLLOKOSA-N 0 0 348.472 1.951 10 70 EDIERN COCCOc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000161331421 441986579 /nfs/dbraw/zinc/98/65/79/441986579.db2.gz GYNYLFPOBXWNNE-ZDUSSCGKSA-N 0 0 331.376 1.440 10 70 EDIERN C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)c1cc(C(N)=S)ccc1Cl ZINC000159442865 534174128 /nfs/dbraw/zinc/17/41/28/534174128.db2.gz UKWIFEICYDYLPB-KWQFWETISA-N 0 0 348.877 1.772 10 70 EDIERN O=C(c1cc(Cl)nnc1Cl)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160650373 534661128 /nfs/dbraw/zinc/66/11/28/534661128.db2.gz QXAIDUCMHVBFRP-VXNVDRBHSA-N 0 0 329.187 1.524 10 70 EDIERN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)n1 ZINC000161378376 527882832 /nfs/dbraw/zinc/88/28/32/527882832.db2.gz HLRPODRRUSRLLE-ZIAGYGMSSA-N 0 0 336.436 1.535 10 70 EDIERN CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)c1CC ZINC000160347058 529697540 /nfs/dbraw/zinc/69/75/40/529697540.db2.gz QGAQISAHZOZBLB-IAQYHMDHSA-N 0 0 336.436 1.245 10 70 EDIERN CNS(=O)(=O)c1ccc(Sc2nnc(N(C)C)s2)cc1N ZINC000159680386 530031900 /nfs/dbraw/zinc/03/19/00/530031900.db2.gz OYNWNMTZKAQSDW-UHFFFAOYSA-N 0 0 345.475 1.246 10 70 EDIERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000159506359 540010320 /nfs/dbraw/zinc/01/03/20/540010320.db2.gz GUCMOBMEWGXEPV-ZIAGYGMSSA-N 0 0 343.435 1.874 10 70 EDIERN CC(C)COc1ccc([C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O)cc1 ZINC000159553037 540010787 /nfs/dbraw/zinc/01/07/87/540010787.db2.gz ACQLIHGFUXDGQA-CHWSQXEVSA-N 0 0 342.461 1.836 10 70 EDIERN CO[C@]1(CNS(=O)(=O)c2cc(C)c(Cl)c(N)c2)CCOC1 ZINC000159899191 533382282 /nfs/dbraw/zinc/38/22/82/533382282.db2.gz SNFALYGKYNBFRT-ZDUSSCGKSA-N 0 0 334.825 1.314 10 70 EDIERN O=C(NC1CC1)[C@H]1COCCN1C(=O)c1ccc(Br)o1 ZINC000159842995 225288563 /nfs/dbraw/zinc/28/85/63/225288563.db2.gz ADEROENZEYFVCV-SECBINFHSA-N 0 0 343.177 1.162 10 70 EDIERN COc1c(C(=O)NC[C@H]2C[C@H]2C)cc(Cl)cc1S(N)(=O)=O ZINC000160343366 225391937 /nfs/dbraw/zinc/39/19/37/225391937.db2.gz MCWCIVFKMWHQIA-HTQZYQBOSA-N 0 0 332.809 1.382 10 70 EDIERN O=C(NC1CC1)[C@H]1COCCN1Cc1ccc(Br)cc1 ZINC000160360918 225395820 /nfs/dbraw/zinc/39/58/20/225395820.db2.gz KLIYKUFRWDAKIN-CQSZACIVSA-N 0 0 339.233 1.929 10 70 EDIERN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000160226984 225364848 /nfs/dbraw/zinc/36/48/48/225364848.db2.gz HUFJBJFWNXHZMB-BFYDXBDKSA-N 0 0 335.448 1.519 10 70 EDIERN CCCCN(C)S(=O)(=O)NCc1ccc(OCC2CC2)nc1 ZINC000159766149 302918400 /nfs/dbraw/zinc/91/84/00/302918400.db2.gz BVIOTHRQUHDUBV-UHFFFAOYSA-N 0 0 327.450 1.937 10 70 EDIERN C[C@@H]1CN(c2nnc(Cc3ccccc3F)s2)CCS1(=O)=O ZINC000160755430 441917145 /nfs/dbraw/zinc/91/71/45/441917145.db2.gz BVORKNZNGBNSSL-SNVBAGLBSA-N 0 0 341.433 1.891 10 70 EDIERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1nccn1C ZINC000161193158 441969819 /nfs/dbraw/zinc/96/98/19/441969819.db2.gz FBEXGABKQISTCS-QWHCGFSZSA-N 0 0 335.429 1.601 10 70 EDIERN COc1ccccc1CN(C(=O)N[C@H]1CCc2ncnn2C1)C1CC1 ZINC000161090268 441955348 /nfs/dbraw/zinc/95/53/48/441955348.db2.gz HWADVPNGBANTPI-AWEZNQCLSA-N 0 0 341.415 1.976 10 70 EDIERN CC(=O)c1ccc(NC(=O)CN2CCOC[C@@H]2c2nc(C)no2)cc1 ZINC000161156298 441964722 /nfs/dbraw/zinc/96/47/22/441964722.db2.gz XZCMNHYRLIFTPB-OAHLLOKOSA-N 0 0 344.371 1.593 10 70 EDIERN CCC[C@@H](NC(=O)C1CCN(C(C)=O)CC1)C(=O)OC(C)(C)C ZINC000161294884 441981944 /nfs/dbraw/zinc/98/19/44/441981944.db2.gz NZRWNLMOSXYPOR-CQSZACIVSA-N 0 0 326.437 1.872 10 70 EDIERN CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161339932 441987558 /nfs/dbraw/zinc/98/75/58/441987558.db2.gz GMMNXZWTWUMHGZ-LBPRGKRZSA-N 0 0 329.360 1.163 10 70 EDIERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000160167634 290611936 /nfs/dbraw/zinc/61/19/36/290611936.db2.gz ONHIIDZYCPZNGL-HZPDHXFCSA-N 0 0 347.459 1.709 10 70 EDIERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000160167762 290560035 /nfs/dbraw/zinc/56/00/35/290560035.db2.gz ONHIIDZYCPZNGL-HOTGVXAUSA-N 0 0 347.459 1.709 10 70 EDIERN COc1ccc(CN(C(=O)N[C@H]2CCc3ncnn3C2)C2CC2)cc1 ZINC000160943931 533516653 /nfs/dbraw/zinc/51/66/53/533516653.db2.gz AVCFYMWVLFNOPP-AWEZNQCLSA-N 0 0 341.415 1.976 10 70 EDIERN CN(C)C(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000160986578 225521161 /nfs/dbraw/zinc/52/11/61/225521161.db2.gz HNQGCZMYJKMTMM-ZDUSSCGKSA-N 0 0 328.376 1.116 10 70 EDIERN CC1(C)C[C@@H](NC(=O)c2nccnc2C(N)=O)c2ccccc2O1 ZINC000159850384 278368739 /nfs/dbraw/zinc/36/87/39/278368739.db2.gz VGIOLFIPJFJEHP-LLVKDONJSA-N 0 0 326.356 1.608 10 70 EDIERN Cc1noc([C@H](C)N2CCN(Cc3nsc(N(C)C)n3)CC2)n1 ZINC000159942500 441849592 /nfs/dbraw/zinc/84/95/92/441849592.db2.gz JLJNAONNURQABV-JTQLQIEISA-N 0 0 337.453 1.174 10 70 EDIERN CCCC(O)(CCC)CNC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000160067635 441856736 /nfs/dbraw/zinc/85/67/36/441856736.db2.gz JEISTFWUTCNJIY-ZDUSSCGKSA-N 0 0 337.468 1.786 10 70 EDIERN COC(CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1)OC ZINC000160958272 441941732 /nfs/dbraw/zinc/94/17/32/441941732.db2.gz AHUBLHOUZKJCRY-UHFFFAOYSA-N 0 0 330.432 1.609 10 70 EDIERN CNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000161168078 441966158 /nfs/dbraw/zinc/96/61/58/441966158.db2.gz PGFSGHZNKPRPOJ-SNVBAGLBSA-N 0 0 348.794 1.428 10 70 EDIERN COc1ccc(OCCN(C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161339413 441987619 /nfs/dbraw/zinc/98/76/19/441987619.db2.gz SSENSWHRUHWERB-CYBMUJFWSA-N 0 0 345.403 1.322 10 70 EDIERN CSC[C@@](C)(O)CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161479802 442004906 /nfs/dbraw/zinc/00/49/06/442004906.db2.gz OSPBYJOLKULGPN-NHYWBVRUSA-N 0 0 341.481 1.130 10 70 EDIERN COc1ccc(C[C@@H](C)CNC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000159664076 533747749 /nfs/dbraw/zinc/74/77/49/533747749.db2.gz MASKWUZKTGDBPC-HZPDHXFCSA-N 0 0 349.475 1.894 10 70 EDIERN CCCCOCCCNS(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000160328625 528587722 /nfs/dbraw/zinc/58/77/22/528587722.db2.gz YPSPVHRXGBPIHT-UHFFFAOYSA-N 0 0 330.475 1.806 10 70 EDIERN CC[C@@H](CNC(=O)N1CCC[C@H]1C(=O)NC)Oc1cccc(F)c1 ZINC000159645412 529479235 /nfs/dbraw/zinc/47/92/35/529479235.db2.gz ZYVRNSQDFNRMIU-ZFWWWQNUSA-N 0 0 337.395 1.903 10 70 EDIERN CC(C)COc1ccc([C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O)cc1 ZINC000159553425 540010763 /nfs/dbraw/zinc/01/07/63/540010763.db2.gz ACQLIHGFUXDGQA-STQMWFEESA-N 0 0 342.461 1.836 10 70 EDIERN O=C(NCc1ccc(F)cc1)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161410746 138643368 /nfs/dbraw/zinc/64/33/68/138643368.db2.gz ZKKWIIAQTFJPRK-MRXNPFEDSA-N 0 0 343.358 1.517 10 70 EDIERN CO[C@]1(CNC(=O)c2cc(N)c(F)cc2Br)CCOC1 ZINC000159857963 225292923 /nfs/dbraw/zinc/29/29/23/225292923.db2.gz JPFJNLDABJBOPV-ZDUSSCGKSA-N 0 0 347.184 1.706 10 70 EDIERN COC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl ZINC000161483437 225635683 /nfs/dbraw/zinc/63/56/83/225635683.db2.gz IHJMYGDSBZMWIW-UHFFFAOYSA-N 0 0 338.788 1.281 10 70 EDIERN CCCCN(Cc1c(C)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000160778118 441920565 /nfs/dbraw/zinc/92/05/65/441920565.db2.gz OEADSQMRFPPILS-CYBMUJFWSA-N 0 0 329.466 1.526 10 70 EDIERN CC(C)[C@@H](O)CC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000161052689 441950938 /nfs/dbraw/zinc/95/09/38/441950938.db2.gz NEEMVNGGPHZMRX-HNNXBMFYSA-N 0 0 340.445 1.720 10 70 EDIERN Cc1cnn(CCNC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000161129182 441960296 /nfs/dbraw/zinc/96/02/96/441960296.db2.gz RDPXBLQYPLGXJR-AWEZNQCLSA-N 0 0 339.403 1.833 10 70 EDIERN NC(=O)NC(=O)CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161138875 441961856 /nfs/dbraw/zinc/96/18/56/441961856.db2.gz CFLTWCDRFUOUCZ-QWRGUYRKSA-N 0 0 331.294 1.008 10 70 EDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)c1ccccc1)CC2 ZINC000161428616 441999180 /nfs/dbraw/zinc/99/91/80/441999180.db2.gz XCBMYZKPJSHUNW-HUUCEWRRSA-N 0 0 343.431 1.749 10 70 EDIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)nc1)CC2 ZINC000161237921 528334060 /nfs/dbraw/zinc/33/40/60/528334060.db2.gz WIVDQVLKJIPNFI-NSHDSACASA-N 0 0 346.366 1.005 10 70 EDIERN CCOC(=O)c1nnn(CCS(C)(=O)=O)c1-c1cccs1 ZINC000159698542 528381007 /nfs/dbraw/zinc/38/10/07/528381007.db2.gz SQKXJMYQSTXBPH-UHFFFAOYSA-N 0 0 329.403 1.228 10 70 EDIERN CCCNC(=O)c1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000161221433 528467428 /nfs/dbraw/zinc/46/74/28/528467428.db2.gz KIQWDZJKWCIBHS-CQSZACIVSA-N 0 0 342.403 1.554 10 70 EDIERN CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000160388377 441876385 /nfs/dbraw/zinc/87/63/85/441876385.db2.gz SERKUKHBWWWRDS-DOMZBBRYSA-N 0 0 340.445 1.423 10 70 EDIERN CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2cccs2)C1 ZINC000161313397 441984171 /nfs/dbraw/zinc/98/41/71/441984171.db2.gz USZLOLYDTFNEDE-ZDUSSCGKSA-N 0 0 333.461 1.855 10 70 EDIERN CC(C)COc1ccc([C@@H](C)NC(=O)CN(C)S(C)(=O)=O)cc1 ZINC000159530468 528159790 /nfs/dbraw/zinc/15/97/90/528159790.db2.gz LDZYVLSJEGICPX-CYBMUJFWSA-N 0 0 342.461 1.790 10 70 EDIERN C[C@H](CNC(=O)NC[C@](C)(O)c1ccc(F)cc1)N1CCOCC1 ZINC000159660419 225257099 /nfs/dbraw/zinc/25/70/99/225257099.db2.gz PZSDFJOTAVNPIJ-DYVFJYSZSA-N 0 0 339.411 1.053 10 70 EDIERN COCCN(C1CC1)S(=O)(=O)c1cc(C(N)=S)ccc1Cl ZINC000160863174 225492679 /nfs/dbraw/zinc/49/26/79/225492679.db2.gz XAFAGWQMLGJMHJ-UHFFFAOYSA-N 0 0 348.877 1.774 10 70 EDIERN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159980290 289990033 /nfs/dbraw/zinc/99/00/33/289990033.db2.gz UESWCHHXYKZOFK-JQWIXIFHSA-N 0 0 326.418 1.343 10 70 EDIERN Cc1noc([C@@H]2COCCN2C[C@H](O)c2c(F)cccc2F)n1 ZINC000160915411 441935779 /nfs/dbraw/zinc/93/57/79/441935779.db2.gz ZWFJWGRPISRUID-STQMWFEESA-N 0 0 325.315 1.763 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1C(=O)c1ccccc1Br ZINC000159824401 528214478 /nfs/dbraw/zinc/21/44/78/528214478.db2.gz WRCUJAALOSRUHU-LBPRGKRZSA-N 0 0 341.205 1.426 10 70 EDIERN COc1cc(NC(=O)C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)ncn1 ZINC000159442134 532968171 /nfs/dbraw/zinc/96/81/71/532968171.db2.gz NJLDCJVWEJDZNZ-ZBEGNZNMSA-N 0 0 340.383 1.782 10 70 EDIERN CS(=O)(=O)c1csc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000160926516 533468246 /nfs/dbraw/zinc/46/82/46/533468246.db2.gz NKZPLVQLXKWYCK-NWDGAFQWSA-N 0 0 329.443 1.935 10 70 EDIERN C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)Cc1ccc(C(N)=S)cc1 ZINC000159442167 225218387 /nfs/dbraw/zinc/21/83/87/225218387.db2.gz BMUIWTDXGXQGFJ-GXFFZTMASA-N 0 0 328.459 1.260 10 70 EDIERN C[C@H]([C@@H](NN)c1cc(Br)ccc1F)S(C)(=O)=O ZINC000159468173 225223928 /nfs/dbraw/zinc/22/39/28/225223928.db2.gz GQCVYTFZBMMSEJ-LHLIQPBNSA-N 0 0 325.203 1.526 10 70 EDIERN COc1ccccc1[C@H](NC(=O)C[C@H](O)C(C)C)c1noc(C)n1 ZINC000160105993 441860146 /nfs/dbraw/zinc/86/01/46/441860146.db2.gz LROLOUSONVHGEG-BBRMVZONSA-N 0 0 333.388 1.999 10 70 EDIERN CCOc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)ccc1OC ZINC000160937948 441938379 /nfs/dbraw/zinc/93/83/79/441938379.db2.gz JOUFBBDCCKAKPI-LBPRGKRZSA-N 0 0 331.376 1.822 10 70 EDIERN COCCOc1cc(C)ccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161090933 441955341 /nfs/dbraw/zinc/95/53/41/441955341.db2.gz XNNFAMRSMFEOGN-CYBMUJFWSA-N 0 0 345.403 1.748 10 70 EDIERN O=C(Nc1cccc(N2CCCC2=O)c1)N[C@H]1CCc2ncnn2C1 ZINC000161177189 534354851 /nfs/dbraw/zinc/35/48/51/534354851.db2.gz SWODDCWGRMSPLC-ZDUSSCGKSA-N 0 0 340.387 1.541 10 70 EDIERN CCN(CCCNC(=O)c1cccc(N)c1Cl)S(C)(=O)=O ZINC000160288810 528458606 /nfs/dbraw/zinc/45/86/06/528458606.db2.gz NBEYETKAZFLGJB-UHFFFAOYSA-N 0 0 333.841 1.324 10 70 EDIERN CCCCOCCCNS(=O)(=O)c1cccc(C(N)=S)c1 ZINC000160328210 528587065 /nfs/dbraw/zinc/58/70/65/528587065.db2.gz SLSFUAOGFKQZPB-UHFFFAOYSA-N 0 0 330.475 1.806 10 70 EDIERN CN([C@@H]1CCOC1)S(=O)(=O)c1cc(C(N)=S)ccc1Cl ZINC000159446326 530033583 /nfs/dbraw/zinc/03/35/83/530033583.db2.gz KKLFVQNGQFLNCI-SECBINFHSA-N 0 0 334.850 1.384 10 70 EDIERN CO[C@@]1(CNS(=O)(=O)c2cc(N)c(Cl)cc2C)CCOC1 ZINC000159912937 533034161 /nfs/dbraw/zinc/03/41/61/533034161.db2.gz JOLGFQATQLGVJY-CYBMUJFWSA-N 0 0 334.825 1.314 10 70 EDIERN CO[C@@]1(CNC(=O)c2cc(N)ccc2Br)CCOC1 ZINC000159839035 225288485 /nfs/dbraw/zinc/28/84/85/225288485.db2.gz XRMMRQDQSLFGRK-CYBMUJFWSA-N 0 0 329.194 1.567 10 70 EDIERN C[C@H](CNC(=O)c1cccc(NC(=O)N(C)C)c1)N1CCOCC1 ZINC000159648959 225254672 /nfs/dbraw/zinc/25/46/72/225254672.db2.gz PLODBHJSYXCGSC-CYBMUJFWSA-N 0 0 334.420 1.231 10 70 EDIERN C[C@H](CNC(=O)CCc1nc(-c2ccoc2)no1)N1CCOCC1 ZINC000159643646 441825976 /nfs/dbraw/zinc/82/59/76/441825976.db2.gz JOLGDKDEYSVAAU-GFCCVEGCSA-N 0 0 334.376 1.099 10 70 EDIERN Cn1cc(CNC(=O)NC[C@H]2CCCC[C@H]2O)c(C(F)(F)F)n1 ZINC000160819426 441925443 /nfs/dbraw/zinc/92/54/43/441925443.db2.gz KFYZOAVWSUFCIF-MWLCHTKSSA-N 0 0 334.342 1.789 10 70 EDIERN CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000160895211 441933726 /nfs/dbraw/zinc/93/37/26/441933726.db2.gz KXSVJJHFPAFQSF-CQSZACIVSA-N 0 0 348.428 1.266 10 70 EDIERN CS(=O)(=O)c1csc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000160926389 441936683 /nfs/dbraw/zinc/93/66/83/441936683.db2.gz NKZPLVQLXKWYCK-RYUDHWBXSA-N 0 0 329.443 1.935 10 70 EDIERN CCN(Cc1c(C)nn(C)c1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159901821 528755384 /nfs/dbraw/zinc/75/53/84/528755384.db2.gz KRTPVKHPLJXOHQ-UHFFFAOYSA-N 0 0 341.415 1.996 10 70 EDIERN CNC(=O)[C@H]1COCCN1CC(=O)c1cc(Cl)sc1Cl ZINC000160124540 529929074 /nfs/dbraw/zinc/92/90/74/529929074.db2.gz HAPISAAJRDSYHJ-MRVPVSSYSA-N 0 0 337.228 1.684 10 70 EDIERN Cc1noc([C@H]2COCCN2CC(=O)NCCC2CCCCC2)n1 ZINC000160935226 138641894 /nfs/dbraw/zinc/64/18/94/138641894.db2.gz SUDXCGCDCXKDFT-OAHLLOKOSA-N 0 0 336.436 1.838 10 70 EDIERN Cc1noc([C@@H]2COCCN2C[C@H](O)c2ccc(F)cc2F)n1 ZINC000160915150 138641778 /nfs/dbraw/zinc/64/17/78/138641778.db2.gz QJHYVEYHSIMGQR-KBPBESRZSA-N 0 0 325.315 1.763 10 70 EDIERN Cn1ccnc1C[C@H](NN)c1cccc(I)c1 ZINC000159413238 225211549 /nfs/dbraw/zinc/21/15/49/225211549.db2.gz YMWVHKAQNVYWDU-NSHDSACASA-N 0 0 342.184 1.772 10 70 EDIERN Cn1ccnc1C[C@H](NN)c1csc(I)c1 ZINC000159448304 225220371 /nfs/dbraw/zinc/22/03/71/225220371.db2.gz YXSWCRIPORYFKR-QMMMGPOBSA-N 0 0 348.213 1.833 10 70 EDIERN COCCc1c(C(=O)OC)nnn1Cc1ccc(Br)o1 ZINC000159861914 225292308 /nfs/dbraw/zinc/29/23/08/225292308.db2.gz ZRXFGKLKOLIOHC-UHFFFAOYSA-N 0 0 344.165 1.657 10 70 EDIERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCOc1ccccc1F ZINC000159992194 225315672 /nfs/dbraw/zinc/31/56/72/225315672.db2.gz WGIJIKXWTNRAGS-ZDUSSCGKSA-N 0 0 348.378 1.984 10 70 EDIERN Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000159898207 441845646 /nfs/dbraw/zinc/84/56/46/441845646.db2.gz QMYMWMJROCEACW-NVXWUHKLSA-N 0 0 332.448 1.957 10 70 EDIERN Cc1nnc([C@H]2CN(c3nc(C(C)C)nc(N(C)C)n3)CCO2)[nH]1 ZINC000160403041 441877461 /nfs/dbraw/zinc/87/74/61/441877461.db2.gz GQYBJEUEHIISDK-LLVKDONJSA-N 0 0 332.412 1.065 10 70 EDIERN Cc1onc(-c2ccccn2)c1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000161212631 441973649 /nfs/dbraw/zinc/97/36/49/441973649.db2.gz MDZHEYLVKLMPCK-QWHCGFSZSA-N 0 0 344.415 1.572 10 70 EDIERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000161014876 441946769 /nfs/dbraw/zinc/94/67/69/441946769.db2.gz OPQAHCUYKSOHNW-HNNXBMFYSA-N 0 0 342.403 1.615 10 70 EDIERN CCCN(CCc1ccccn1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161309037 441983196 /nfs/dbraw/zinc/98/31/96/441983196.db2.gz ACNYKRFNEYWMON-OAHLLOKOSA-N 0 0 328.420 1.652 10 70 EDIERN CCn1cnnc1[C@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 ZINC000161329893 441985909 /nfs/dbraw/zinc/98/59/09/441985909.db2.gz DDYIWFPTKUNALK-HNNXBMFYSA-N 0 0 348.472 1.951 10 70 EDIERN CCC[C@H](NC(=O)c1ccnc(-n2cncn2)c1)C(=O)OC(C)(C)C ZINC000161328709 441986106 /nfs/dbraw/zinc/98/61/06/441986106.db2.gz CPVNVFBXBMXRIM-ZDUSSCGKSA-N 0 0 345.403 1.903 10 70 EDIERN COc1cc(CNC(=O)N[C@@H](C)c2nnc3n2CCCC3)ccn1 ZINC000159414079 533853953 /nfs/dbraw/zinc/85/39/53/533853953.db2.gz WENNQOFDFTZYPJ-NSHDSACASA-N 0 0 330.392 1.578 10 70 EDIERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([S@](C)=O)cc1 ZINC000159944985 533284982 /nfs/dbraw/zinc/28/49/82/533284982.db2.gz FETNWOBRHKDUQI-RKNYENMMSA-N 0 0 348.428 1.427 10 70 EDIERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160809217 441923804 /nfs/dbraw/zinc/92/38/04/441923804.db2.gz FLPTYNUKJSXXCL-SECBINFHSA-N 0 0 333.314 1.530 10 70 EDIERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000161224152 441975082 /nfs/dbraw/zinc/97/50/82/441975082.db2.gz TZTAMRJRSRYAIQ-UHFFFAOYSA-N 0 0 331.351 1.299 10 70 EDIERN Cc1noc([C@H]2COCCN2C[C@H](O)c2c(F)cccc2F)n1 ZINC000160915492 441935751 /nfs/dbraw/zinc/93/57/51/441935751.db2.gz ZWFJWGRPISRUID-OLZOCXBDSA-N 0 0 325.315 1.763 10 70 EDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000160975513 441942217 /nfs/dbraw/zinc/94/22/17/441942217.db2.gz CRSRIFLGCUVDPB-ZDUSSCGKSA-N 0 0 345.403 1.680 10 70 EDIERN NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CCCc2ccccc21 ZINC000160365696 534514166 /nfs/dbraw/zinc/51/41/66/534514166.db2.gz LFKLSNBKNHJNQF-CQSZACIVSA-N 0 0 335.367 1.636 10 70 EDIERN CCNc1ncc(S(=O)(=O)N(C)[C@@H]2CCO[C@@H]2C)cc1Cl ZINC000160995758 528448522 /nfs/dbraw/zinc/44/85/22/528448522.db2.gz PVFDSFSWHMJGRB-BXKDBHETSA-N 0 0 333.841 1.965 10 70 EDIERN CNC(=O)[C@H]1COCCN1CC(=O)c1ccc(Br)cc1 ZINC000160115549 529929111 /nfs/dbraw/zinc/92/91/11/529929111.db2.gz YQTRSFRTDCZAPQ-GFCCVEGCSA-N 0 0 341.205 1.079 10 70 EDIERN NN[C@H](C[C@H]1CCS(=O)(=O)C1)c1cscc1Br ZINC000159370865 225203819 /nfs/dbraw/zinc/20/38/19/225203819.db2.gz ZKMRTAOQHAHBLL-GMSGAONNSA-N 0 0 339.280 1.840 10 70 EDIERN CNC(=O)CCCN(C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000159412313 290380463 /nfs/dbraw/zinc/38/04/63/290380463.db2.gz XSYKAPZGUWOWHK-LRDDRELGSA-N 0 0 344.477 1.170 10 70 EDIERN CCCC(O)(CCC)CNC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000160067523 441857071 /nfs/dbraw/zinc/85/70/71/441857071.db2.gz JEISTFWUTCNJIY-CYBMUJFWSA-N 0 0 337.468 1.786 10 70 EDIERN CCn1cc(C2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)cn1 ZINC000161113852 441958894 /nfs/dbraw/zinc/95/88/94/441958894.db2.gz IJJWWMNGTPYLOL-OAHLLOKOSA-N 0 0 343.435 1.399 10 70 EDIERN CCCN(CCc1ccccn1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161309120 528109523 /nfs/dbraw/zinc/10/95/23/528109523.db2.gz ACNYKRFNEYWMON-HNNXBMFYSA-N 0 0 328.420 1.652 10 70 EDIERN CC(C)COc1ccc([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000159798439 528162054 /nfs/dbraw/zinc/16/20/54/528162054.db2.gz QYDBQTOTFIPHCW-CYBMUJFWSA-N 0 0 345.399 1.449 10 70 EDIERN CCNC(=O)[C@H]1COCCN1C(=O)c1cccc(Br)c1 ZINC000159824259 528222321 /nfs/dbraw/zinc/22/23/21/528222321.db2.gz FHKBBIQITAQLEM-GFCCVEGCSA-N 0 0 341.205 1.426 10 70 EDIERN CNC(=O)[C@@H]1COCCN1CC(=O)c1ccc(Br)cc1 ZINC000160115461 529910891 /nfs/dbraw/zinc/91/08/91/529910891.db2.gz YQTRSFRTDCZAPQ-LBPRGKRZSA-N 0 0 341.205 1.079 10 70 EDIERN CNC(=O)[C@@H]1COCCN1Cc1cc(OC)ccc1Br ZINC000160355710 529910987 /nfs/dbraw/zinc/91/09/87/529910987.db2.gz IWVSDCZBIMDWRW-ZDUSSCGKSA-N 0 0 343.221 1.405 10 70 EDIERN CNC(=O)[C@@H]1COCCN1CC(=O)c1ccccc1Br ZINC000160118728 529911154 /nfs/dbraw/zinc/91/11/54/529911154.db2.gz PTFFYUWIXSTKTO-LBPRGKRZSA-N 0 0 341.205 1.079 10 70 EDIERN CNC(=O)[C@H]1CCCN1C(=O)NCCOc1ccc(Cl)cn1 ZINC000159902617 529923477 /nfs/dbraw/zinc/92/34/77/529923477.db2.gz RGYYRODBOWRPBR-LLVKDONJSA-N 0 0 326.784 1.034 10 70 EDIERN CN([C@H]1CCOC1)S(=O)(=O)c1cc(C(N)=S)ccc1Cl ZINC000159446499 530034328 /nfs/dbraw/zinc/03/43/28/530034328.db2.gz KKLFVQNGQFLNCI-VIFPVBQESA-N 0 0 334.850 1.384 10 70 EDIERN O=C1CC[C@@H]2CN(S(=O)(=O)c3ccnc(Cl)c3)CC[C@H]2N1 ZINC000160179856 225355678 /nfs/dbraw/zinc/35/56/78/225355678.db2.gz NLQSPJCGANJVEL-MWLCHTKSSA-N 0 0 329.809 1.024 10 70 EDIERN Cc1ccc(NC(=O)C[C@@H](O)C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000160726054 225461047 /nfs/dbraw/zinc/46/10/47/225461047.db2.gz OVNDAIMQACACBY-CQSZACIVSA-N 0 0 340.445 1.781 10 70 EDIERN COc1ncccc1CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000159560812 441820506 /nfs/dbraw/zinc/82/05/06/441820506.db2.gz IGDLYNFJBPGVSO-NSHDSACASA-N 0 0 330.392 1.578 10 70 EDIERN CNc1ncc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)s1 ZINC000160442851 441882871 /nfs/dbraw/zinc/88/28/71/441882871.db2.gz WXYRVIULXZRBQY-LBPRGKRZSA-N 0 0 334.449 1.946 10 70 EDIERN CCC[C@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)OC(C)(C)C ZINC000161278713 441979489 /nfs/dbraw/zinc/97/94/89/441979489.db2.gz MRIVLZJLJIFZNU-NSHDSACASA-N 0 0 333.392 1.604 10 70 EDIERN CC(C)n1ccnc1CS(=O)(=O)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000161219429 441973844 /nfs/dbraw/zinc/97/38/44/441973844.db2.gz GKBXYOCUABPXPX-CHWSQXEVSA-N 0 0 343.449 1.063 10 70 EDIERN CCCCNC(=O)NC(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000161293653 441982336 /nfs/dbraw/zinc/98/23/36/441982336.db2.gz BLMBVJAMPHOVMU-CYBMUJFWSA-N 0 0 336.440 1.103 10 70 EDIERN O=C(CCN1C(=O)CCc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000159975953 534395866 /nfs/dbraw/zinc/39/58/66/534395866.db2.gz HHQYSIRAVFQINU-CQSZACIVSA-N 0 0 339.399 1.079 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)cc1 ZINC000159826084 528214745 /nfs/dbraw/zinc/21/47/45/528214745.db2.gz FYPYPAKHCDRCAI-LBPRGKRZSA-N 0 0 341.205 1.426 10 70 EDIERN CC(C)[C@@H](O)CC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000159730076 528615259 /nfs/dbraw/zinc/61/52/59/528615259.db2.gz ILOOWZNHZKUQDD-MSOLQXFVSA-N 0 0 334.460 1.453 10 70 EDIERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H]1C[C@@H]1C ZINC000160022166 533065330 /nfs/dbraw/zinc/06/53/30/533065330.db2.gz HZWQLUXHLVMTHV-UWVGGRQHSA-N 0 0 332.447 1.066 10 70 EDIERN CCn1c2[nH]c(-c3cncc(Br)c3)nc2c(=O)[nH]c1=O ZINC000159785182 225276390 /nfs/dbraw/zinc/27/63/90/225276390.db2.gz RUEFMAMCGVEIHN-UHFFFAOYSA-N 0 0 336.149 1.257 10 70 EDIERN CCN(CCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1)S(C)(=O)=O ZINC000161266768 441979299 /nfs/dbraw/zinc/97/92/99/441979299.db2.gz NUFOSILNEAXGRG-HUUCEWRRSA-N 0 0 330.494 1.991 10 70 EDIERN O=C(Nc1ccc(F)nc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000161239620 441976067 /nfs/dbraw/zinc/97/60/67/441976067.db2.gz GPEPZYWTFNKAMI-UHFFFAOYSA-N 0 0 331.351 1.295 10 70 EDIERN Cc1cc(N)cc(S(=O)(=O)NCCOCC(F)(F)F)c1F ZINC000159526127 533887236 /nfs/dbraw/zinc/88/72/36/533887236.db2.gz SLJKFYOVIPAXLM-UHFFFAOYSA-N 0 0 330.303 1.574 10 70 EDIERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccccc1F)CC2 ZINC000159377146 528338802 /nfs/dbraw/zinc/33/88/02/528338802.db2.gz JBOZWRFWPWJZED-LLVKDONJSA-N 0 0 338.408 1.834 10 70 EDIERN CCCNC(=O)[C@H]1COCCN1c1cc(Cl)nc(SC)n1 ZINC000160272750 528442471 /nfs/dbraw/zinc/44/24/71/528442471.db2.gz SOPCDUSXDNEWPF-SECBINFHSA-N 0 0 330.841 1.583 10 70 EDIERN CC[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC)Oc1ccccc1F ZINC000159492684 529478938 /nfs/dbraw/zinc/47/89/38/529478938.db2.gz PGKQARHFYPKABW-GXTWGEPZSA-N 0 0 337.395 1.903 10 70 EDIERN CN(C)c1ncccc1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160245308 529814128 /nfs/dbraw/zinc/81/41/28/529814128.db2.gz YULHLUCQBOSEOU-CRAIPNDOSA-N 0 0 332.448 1.984 10 70 EDIERN COCCN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@@H](C)C(N)=O ZINC000159812494 225282554 /nfs/dbraw/zinc/28/25/54/225282554.db2.gz KLGCEZCKGFOUTM-FZMZJTMJSA-N 0 0 339.823 1.655 10 70 EDIERN CCS(=O)(=O)[C@H]1CSCCN1Cc1nc(C)cc(NC)n1 ZINC000159847033 225287817 /nfs/dbraw/zinc/28/78/17/225287817.db2.gz UJDRJZPSSVVHKG-ZDUSSCGKSA-N 0 0 330.479 1.136 10 70 EDIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(N)=S)cc1 ZINC000159928131 225304902 /nfs/dbraw/zinc/30/49/02/225304902.db2.gz RHOLHTJXUOSRET-GFCCVEGCSA-N 0 0 345.428 1.324 10 70 EDIERN O=C(Nc1ccn(Cc2ccccc2)n1)N[C@H]1CCc2ncnn2C1 ZINC000161159289 225560943 /nfs/dbraw/zinc/56/09/43/225560943.db2.gz DYURLDIIFRFHBG-AWEZNQCLSA-N 0 0 337.387 1.659 10 70 EDIERN CC[C@H](O)CN1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1 ZINC000160632264 441903359 /nfs/dbraw/zinc/90/33/59/441903359.db2.gz AQBPFOUPDIVAJS-NSHDSACASA-N 0 0 332.326 1.024 10 70 EDIERN Cc1noc([C@H]2COCCN2C[C@H](O)COc2c(C)cccc2C)n1 ZINC000161139746 441961797 /nfs/dbraw/zinc/96/17/97/441961797.db2.gz FZVJQLUUPMQHNT-JKSUJKDBSA-N 0 0 347.415 1.808 10 70 EDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N(C)Cc2ccco2)C1 ZINC000161420804 441998459 /nfs/dbraw/zinc/99/84/59/441998459.db2.gz FBLKLLGYGAYXDB-CQSZACIVSA-N 0 0 331.420 1.729 10 70 EDIERN CCNc1cc(C)nc(CN2CCSC[C@@H]2S(C)(=O)=O)n1 ZINC000159846243 528427597 /nfs/dbraw/zinc/42/75/97/528427597.db2.gz FDARVFBJVXHQJZ-ZDUSSCGKSA-N 0 0 330.479 1.136 10 70 EDIERN CC(C)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000160042390 528971220 /nfs/dbraw/zinc/97/12/20/528971220.db2.gz WCNQCNXRZYCWJJ-VIFPVBQESA-N 0 0 334.825 1.527 10 70 EDIERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159877620 290612058 /nfs/dbraw/zinc/61/20/58/290612058.db2.gz MQIJXPXXTUGPJR-XJKSGUPXSA-N 0 0 341.415 1.853 10 70 EDIERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ncn(-c2ccccc2)n1 ZINC000159476360 529750633 /nfs/dbraw/zinc/75/06/33/529750633.db2.gz NYMXDUVPQQLYPK-CYBMUJFWSA-N 0 0 337.387 1.686 10 70 EDIERN CN(C)c1ncccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160245444 529814238 /nfs/dbraw/zinc/81/42/38/529814238.db2.gz YULHLUCQBOSEOU-QAPCUYQASA-N 0 0 332.448 1.984 10 70 EDIERN CNC(=O)[C@@H]1COCCN1c1ccc([C@H](C)O)cc1Br ZINC000160082891 529911067 /nfs/dbraw/zinc/91/10/67/529911067.db2.gz ZGSJOCJUCYYPEF-ZANVPECISA-N 0 0 343.221 1.454 10 70 EDIERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000159438681 225216852 /nfs/dbraw/zinc/21/68/52/225216852.db2.gz JMRQBEJEZNOLCE-PRHODGIISA-N 0 0 332.422 1.258 10 70 EDIERN CCn1c2[nH]c(Cc3ccc(Br)cc3)nc2c(=O)[nH]c1=O ZINC000159801068 225279534 /nfs/dbraw/zinc/27/95/34/225279534.db2.gz LWTNREKVPKHWTH-UHFFFAOYSA-N 0 0 349.188 1.786 10 70 EDIERN Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C(=O)Nc2cc(C)nn2C)n(C)n1 ZINC000159837248 225286921 /nfs/dbraw/zinc/28/69/21/225286921.db2.gz ZVHAIACRNWHXGX-STQMWFEESA-N 0 0 344.419 1.764 10 70 EDIERN Cc1cc(C)n2nc(CC(=O)N[C@@H]3CCOC4(CCCC4)C3)nc2n1 ZINC000160222488 225365389 /nfs/dbraw/zinc/36/53/89/225365389.db2.gz PNXOIZBIODOHQU-CQSZACIVSA-N 0 0 343.431 1.892 10 70 EDIERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(Cc2ccccn2)CC1 ZINC000160622650 441903129 /nfs/dbraw/zinc/90/31/29/441903129.db2.gz ORFYFBLUAOVDNH-OAHLLOKOSA-N 0 0 341.419 1.035 10 70 EDIERN O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161479550 442004749 /nfs/dbraw/zinc/00/47/49/442004749.db2.gz RAFUAOJWFKLSNL-MRXNPFEDSA-N 0 0 335.367 1.956 10 70 EDIERN CCNC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)cc1 ZINC000159826198 528222082 /nfs/dbraw/zinc/22/20/82/528222082.db2.gz FYPYPAKHCDRCAI-GFCCVEGCSA-N 0 0 341.205 1.426 10 70 EDIERN CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161332547 528256235 /nfs/dbraw/zinc/25/62/35/528256235.db2.gz UOERUWRIAWCORC-CYBMUJFWSA-N 0 0 328.376 1.164 10 70 EDIERN CCSCC[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1N ZINC000159872606 529194992 /nfs/dbraw/zinc/19/49/92/529194992.db2.gz BQAOTLLUKOGYEO-VIFPVBQESA-N 0 0 331.463 1.178 10 70 EDIERN CS(=O)(=O)C[C@H](Cc1cccc(F)c1Br)NN ZINC000160062297 533368610 /nfs/dbraw/zinc/36/86/10/533368610.db2.gz OWEOTDLNZNRKOB-QMMMGPOBSA-N 0 0 325.203 1.007 10 70 EDIERN O=C(NC1CC1)[C@H]1COCCN1Cc1ccccc1Br ZINC000160362002 225395885 /nfs/dbraw/zinc/39/58/85/225395885.db2.gz YZVBJNSJMSYOGX-CQSZACIVSA-N 0 0 339.233 1.929 10 70 EDIERN CCc1nnc([C@@H]2CN(C(=O)NCC3(CCOC)CC3)CCO2)[nH]1 ZINC000161095151 441956834 /nfs/dbraw/zinc/95/68/34/441956834.db2.gz XEHSLZJHOSNEEG-LBPRGKRZSA-N 0 0 337.424 1.267 10 70 EDIERN C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1cccc(Br)c1 ZINC000217557045 491012464 /nfs/dbraw/zinc/01/24/64/491012464.db2.gz HASZVJRRXRXVPR-XVKPBYJWSA-N 0 0 340.177 1.224 10 70 EDIERN C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1cccc(Br)c1 ZINC000217557125 491012492 /nfs/dbraw/zinc/01/24/92/491012492.db2.gz HASZVJRRXRXVPR-XCBNKYQSSA-N 0 0 340.177 1.224 10 70 EDIERN CCC(=O)Nc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000161169730 528434826 /nfs/dbraw/zinc/43/48/26/528434826.db2.gz IWLWRUIOPDOGBZ-ZDUSSCGKSA-N 0 0 328.376 1.763 10 70 EDIERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H]1C[C@H]1C ZINC000160022039 533064931 /nfs/dbraw/zinc/06/49/31/533064931.db2.gz HZWQLUXHLVMTHV-ZJUUUORDSA-N 0 0 332.447 1.066 10 70 EDIERN Cn1cc([C@@H]2[C@@H](C(=O)NCCC3=CCCC3)CCC(=O)N2C)cn1 ZINC000160293166 225380744 /nfs/dbraw/zinc/38/07/44/225380744.db2.gz NHNPXONSDYMPHI-DOTOQJQBSA-N 0 0 330.432 1.946 10 70 EDIERN O=C(NC1CC1)[C@@H]1COCCN1Cc1ccccc1Br ZINC000160362175 225396616 /nfs/dbraw/zinc/39/66/16/225396616.db2.gz YZVBJNSJMSYOGX-AWEZNQCLSA-N 0 0 339.233 1.929 10 70 EDIERN C[C@@H](NC(=O)c1ncn(-c2ccccc2)n1)c1nnc2n1CCCC2 ZINC000160420574 441880659 /nfs/dbraw/zinc/88/06/59/441880659.db2.gz RZPNPNOQIDVLKX-GFCCVEGCSA-N 0 0 337.387 1.686 10 70 EDIERN COc1ccc(CN(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1O ZINC000160970472 441943217 /nfs/dbraw/zinc/94/32/17/441943217.db2.gz ASBDOKSSKXMJRA-LBPRGKRZSA-N 0 0 331.376 1.149 10 70 EDIERN CCCCNC(=O)NC(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000161293498 441982104 /nfs/dbraw/zinc/98/21/04/441982104.db2.gz BLMBVJAMPHOVMU-ZDUSSCGKSA-N 0 0 336.440 1.103 10 70 EDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000161327030 441986382 /nfs/dbraw/zinc/98/63/82/441986382.db2.gz ZTCNZMXXQCSJRG-GFCCVEGCSA-N 0 0 336.440 1.102 10 70 EDIERN CCc1ccc(NC(=O)CN2CCOC[C@@H]2c2nc(C)no2)cc1 ZINC000161009439 138641959 /nfs/dbraw/zinc/64/19/59/138641959.db2.gz NAGPRNXPTNAWNA-OAHLLOKOSA-N 0 0 330.388 1.952 10 70 EDIERN Cc1noc([C@H]2COCCN2C[C@H](O)c2ccc(F)cc2F)n1 ZINC000160915247 138641694 /nfs/dbraw/zinc/64/16/94/138641694.db2.gz QJHYVEYHSIMGQR-KGLIPLIRSA-N 0 0 325.315 1.763 10 70 EDIERN COc1ccc(CN(C(=O)N[C@@H]2CCc3ncnn3C2)C2CC2)cc1 ZINC000160943773 533515157 /nfs/dbraw/zinc/51/51/57/533515157.db2.gz AVCFYMWVLFNOPP-CQSZACIVSA-N 0 0 341.415 1.976 10 70 EDIERN COCc1c(C(=O)OC)nnn1Cc1cncc(Br)c1 ZINC000159364503 225203312 /nfs/dbraw/zinc/20/33/12/225203312.db2.gz YAIDNRKQLUGQHZ-UHFFFAOYSA-N 0 0 341.165 1.417 10 70 EDIERN Cn1ccnc1C[C@H](NN)c1ccc(I)cc1 ZINC000159453909 225220261 /nfs/dbraw/zinc/22/02/61/225220261.db2.gz WZXJZUUBAOADPO-NSHDSACASA-N 0 0 342.184 1.772 10 70 EDIERN CCn1cnnc1C1CCN([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000160016758 225320137 /nfs/dbraw/zinc/32/01/37/225320137.db2.gz FBLCSIBQJXCLOI-HNNXBMFYSA-N 0 0 329.404 1.787 10 70 EDIERN CCn1cnnc1[C@H]1CCCN(CC(=O)N(C)CC(F)(F)F)C1 ZINC000161346417 441988508 /nfs/dbraw/zinc/98/85/08/441988508.db2.gz KUCQKDRRQORNBF-NSHDSACASA-N 0 0 333.358 1.498 10 70 EDIERN CCCNC(=O)[C@@H]1COCCN1CC(=O)c1ccc(Cl)s1 ZINC000160134681 528433475 /nfs/dbraw/zinc/43/34/75/528433475.db2.gz PBJOAPFAYGZUOK-JTQLQIEISA-N 0 0 330.837 1.811 10 70 EDIERN CN(C)c1nc(CN(C)[C@H]2CCCN(c3cccnn3)C2)ns1 ZINC000159885932 529801903 /nfs/dbraw/zinc/80/19/03/529801903.db2.gz WHUSZRFJXOVXSH-LBPRGKRZSA-N 0 0 333.465 1.495 10 70 EDIERN NN[C@@H](c1cscc1Br)[C@H]1CCCCS1(=O)=O ZINC000159391942 225208371 /nfs/dbraw/zinc/20/83/71/225208371.db2.gz DSBCBZFTFOPEHF-ZJUUUORDSA-N 0 0 339.280 1.982 10 70 EDIERN C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)Cc1ccccc1C(N)=S ZINC000159443192 225218209 /nfs/dbraw/zinc/21/82/09/225218209.db2.gz BRPNUVVGWDVFAK-GXFFZTMASA-N 0 0 328.459 1.260 10 70 EDIERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000160323137 441872830 /nfs/dbraw/zinc/87/28/30/441872830.db2.gz VJKZGNOIGQRDFA-LLVKDONJSA-N 0 0 347.806 1.732 10 70 EDIERN O=S(=O)(Cc1c(F)cccc1F)N1CCN2CCCC[C@@H]2C1 ZINC000160639566 441904814 /nfs/dbraw/zinc/90/48/14/441904814.db2.gz VPQPNFKUCWLJLY-GFCCVEGCSA-N 0 0 330.400 1.965 10 70 EDIERN COCCC1(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000161031895 441949092 /nfs/dbraw/zinc/94/90/92/441949092.db2.gz ZOTODDOLEVPIDE-GJZGRUSLSA-N 0 0 325.453 1.165 10 70 EDIERN CCc1nnc([C@H]2CN(C(=O)Nc3cnc(CC)nc3)CCO2)[nH]1 ZINC000161149252 441964080 /nfs/dbraw/zinc/96/40/80/441964080.db2.gz CSAHIFVWTDJKAT-LLVKDONJSA-N 0 0 331.380 1.325 10 70 EDIERN O=C(Nc1cc2c(cc1Cl)OCO2)N[C@@H]1CCc2ncnn2C1 ZINC000161178806 441967259 /nfs/dbraw/zinc/96/72/59/441967259.db2.gz XZYTWXJTDQUAFF-MRVPVSSYSA-N 0 0 335.751 1.797 10 70 EDIERN CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2ccccc2)C1 ZINC000161316985 441984925 /nfs/dbraw/zinc/98/49/25/441984925.db2.gz NUMZOFBLLHJMOZ-INIZCTEOSA-N 0 0 327.432 1.794 10 70 EDIERN CCNC(=O)[C@H]1COCCN1C(=O)c1ccccc1Br ZINC000159824515 528222699 /nfs/dbraw/zinc/22/26/99/528222699.db2.gz WRCUJAALOSRUHU-GFCCVEGCSA-N 0 0 341.205 1.426 10 70 EDIERN CCOCCN1CCN(c2nc(C(C)C)nc(N(C)C)n2)C[C@@H]1C ZINC000159406614 528754962 /nfs/dbraw/zinc/75/49/62/528754962.db2.gz KIBPIDGJWFPGCK-AWEZNQCLSA-N 0 0 336.484 1.608 10 70 EDIERN CC[C@H]1CN(S(=O)(=O)c2cc(C(N)=S)ccc2Cl)CCO1 ZINC000160854310 529299924 /nfs/dbraw/zinc/29/99/24/529299924.db2.gz BTGVNADVRWCTEU-JTQLQIEISA-N 0 0 348.877 1.774 10 70 EDIERN CNC(=O)[C@@H]1COCCN1Cc1cc(Br)ccc1OC ZINC000160355414 529911112 /nfs/dbraw/zinc/91/11/12/529911112.db2.gz SGXXTJFEYVGMRY-LBPRGKRZSA-N 0 0 343.221 1.405 10 70 EDIERN CNC(=O)[C@@H]1COCCN1CCOc1cccc(Br)c1 ZINC000160354236 529911133 /nfs/dbraw/zinc/91/11/33/529911133.db2.gz WOEYUOJEFFOQFY-ZDUSSCGKSA-N 0 0 343.221 1.275 10 70 EDIERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@H]1C[C@@H]1C ZINC000160021901 533065357 /nfs/dbraw/zinc/06/53/57/533065357.db2.gz HZWQLUXHLVMTHV-VHSXEESVSA-N 0 0 332.447 1.066 10 70 EDIERN COCCN(CC(=O)OC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159824182 225285033 /nfs/dbraw/zinc/28/50/33/225285033.db2.gz YTUUJUUPUWZVFR-AWEZNQCLSA-N 0 0 340.807 1.954 10 70 EDIERN CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000160388249 441876646 /nfs/dbraw/zinc/87/66/46/441876646.db2.gz SERKUKHBWWWRDS-WFASDCNBSA-N 0 0 340.445 1.423 10 70 EDIERN CCc1n[nH]c(=O)c(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1CC ZINC000161443917 442000823 /nfs/dbraw/zinc/00/08/23/442000823.db2.gz UBUKOVYKDCGYDX-CYBMUJFWSA-N 0 0 342.399 1.583 10 70 EDIERN CC(C)([C@@H](NN)c1sccc1Br)S(C)(=O)=O ZINC000160144707 527376239 /nfs/dbraw/zinc/37/62/39/527376239.db2.gz SYBQGPBOFVMARG-QMMMGPOBSA-N 0 0 327.269 1.838 10 70 EDIERN CCC1(CC)[C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C[C@@H]1OC ZINC000159895095 529101314 /nfs/dbraw/zinc/10/13/14/529101314.db2.gz YFIOMFLGUNPGAZ-KFWWJZLASA-N 0 0 327.469 1.600 10 70 EDIERN CNC(=O)[C@@H]1CCCN1C(=O)NCCOc1ncccc1Cl ZINC000159900560 529902243 /nfs/dbraw/zinc/90/22/43/529902243.db2.gz MBVILGDUTXRBSY-NSHDSACASA-N 0 0 326.784 1.034 10 70 EDIERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000160172502 540021335 /nfs/dbraw/zinc/02/13/35/540021335.db2.gz UVGPUFCBKHKNTP-ZDUSSCGKSA-N 0 0 343.387 1.199 10 70 EDIERN COC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159747226 225270962 /nfs/dbraw/zinc/27/09/62/225270962.db2.gz HZSSOUCEVAQSRX-NOZJJQNGSA-N 0 0 328.771 1.983 10 70 EDIERN CCOc1ncccc1CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000159572353 441820716 /nfs/dbraw/zinc/82/07/16/441820716.db2.gz AJQVMOZACNPTRO-LBPRGKRZSA-N 0 0 344.419 1.969 10 70 EDIERN O=S(=O)(/C=C/c1ccccc1)N1CCC(Cn2ccnn2)CC1 ZINC000159456677 441814494 /nfs/dbraw/zinc/81/44/94/441814494.db2.gz HSCGEOVNQNUNMN-MDWZMJQESA-N 0 0 332.429 1.991 10 70 EDIERN COc1ccc(CCCN(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000161085144 441955498 /nfs/dbraw/zinc/95/54/98/441955498.db2.gz DXRFGFWFCWJYFX-HNNXBMFYSA-N 0 0 343.431 1.876 10 70 EDIERN C[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000161166911 441964704 /nfs/dbraw/zinc/96/47/04/441964704.db2.gz GGEFMCYNXLQBTA-BXUZGUMPSA-N 0 0 341.249 1.999 10 70 EDIERN O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2ccccc2)CC1 ZINC000161290428 441980564 /nfs/dbraw/zinc/98/05/64/441980564.db2.gz BRJSNPYGJWZGPO-AWEZNQCLSA-N 0 0 326.404 1.125 10 70 EDIERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccs1)CC2 ZINC000159391313 528335506 /nfs/dbraw/zinc/33/55/06/528335506.db2.gz LGSQERNWQSJLME-JTQLQIEISA-N 0 0 326.447 1.756 10 70 EDIERN CCSCC[C@@H](C)NC(=O)c1cc(N)cc(S(C)(=O)=O)c1 ZINC000159839766 529188366 /nfs/dbraw/zinc/18/83/66/529188366.db2.gz CNQOJPZNSSTLNV-SNVBAGLBSA-N 0 0 330.475 1.934 10 70 EDIERN CC[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC)Oc1cccc(F)c1 ZINC000159645149 529478667 /nfs/dbraw/zinc/47/86/67/529478667.db2.gz ZYVRNSQDFNRMIU-DZGCQCFKSA-N 0 0 337.395 1.903 10 70 EDIERN CNC(=O)[C@H]1COCCN1C(=O)c1cc(Br)ccc1F ZINC000159832074 529929243 /nfs/dbraw/zinc/92/92/43/529929243.db2.gz UZZBWVNBPXYBAY-LLVKDONJSA-N 0 0 345.168 1.175 10 70 EDIERN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N[C@@H]1CCc2ncnn2C1 ZINC000159713607 295771504 /nfs/dbraw/zinc/77/15/04/295771504.db2.gz GIVORDXECYFQAN-OAGGEKHMSA-N 0 0 341.415 1.812 10 70 EDIERN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)C1CC1 ZINC000159844058 225287545 /nfs/dbraw/zinc/28/75/45/225287545.db2.gz DOYLBWXKSJIKKB-LLVKDONJSA-N 0 0 332.404 1.080 10 70 EDIERN COC(=O)[C@@H](c1cccnc1)N1CCC(N(C)c2cccnn2)CC1 ZINC000159892797 225297119 /nfs/dbraw/zinc/29/71/19/225297119.db2.gz MWYMUAVVMJKHOW-QGZVFWFLSA-N 0 0 341.415 1.687 10 70 EDIERN NC(=O)c1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000159652369 225255405 /nfs/dbraw/zinc/25/54/05/225255405.db2.gz PBVMJOOOWMDALZ-QAPCUYQASA-N 0 0 331.416 1.622 10 70 EDIERN CC(C)c1noc(CCCNC(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000161184294 441968356 /nfs/dbraw/zinc/96/83/56/441968356.db2.gz RBAASJADDXEICR-CYBMUJFWSA-N 0 0 339.440 1.146 10 70 EDIERN Cc1onc(-c2ccccn2)c1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000161212505 441973499 /nfs/dbraw/zinc/97/34/99/441973499.db2.gz MDZHEYLVKLMPCK-CHWSQXEVSA-N 0 0 344.415 1.572 10 70 EDIERN CCNC(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)c(C)c1 ZINC000160967998 441941262 /nfs/dbraw/zinc/94/12/62/441941262.db2.gz DBQRWFWONZMNGW-ZDUSSCGKSA-N 0 0 342.403 1.473 10 70 EDIERN CNC(=O)NC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161034051 441948670 /nfs/dbraw/zinc/94/86/70/441948670.db2.gz ZNRDABHMCCAQBQ-NWDGAFQWSA-N 0 0 345.321 1.269 10 70 EDIERN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@H](O)C(C)C)CC2 ZINC000160902742 528385594 /nfs/dbraw/zinc/38/55/94/528385594.db2.gz ZOWCZUUPUMPPIN-HNNXBMFYSA-N 0 0 340.445 1.281 10 70 EDIERN CCSCC[C@H](C)NC(=O)c1cc(N)cc(S(C)(=O)=O)c1 ZINC000159839912 529194740 /nfs/dbraw/zinc/19/47/40/529194740.db2.gz CNQOJPZNSSTLNV-JTQLQIEISA-N 0 0 330.475 1.934 10 70 EDIERN COc1ccc(NC(=O)CCN2CCOC[C@@H]2c2nc(C)no2)cc1 ZINC000160894268 536759980 /nfs/dbraw/zinc/75/99/80/536759980.db2.gz CHLVUQBMONHDNG-OAHLLOKOSA-N 0 0 346.387 1.789 10 70 EDIERN O=C(Nc1c(F)cccc1F)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161017640 138642065 /nfs/dbraw/zinc/64/20/65/138642065.db2.gz LTQNDCVLKKSZEP-GFCCVEGCSA-N 0 0 347.321 1.978 10 70 EDIERN CS(=O)(=O)c1ccc(S(=O)(=O)CC(=O)C2CCCC2)cc1 ZINC000159503128 533451413 /nfs/dbraw/zinc/45/14/13/533451413.db2.gz UZEKAHORBQEUHU-UHFFFAOYSA-N 0 0 330.427 1.623 10 70 EDIERN NN[C@@H](c1cscc1Br)[C@@H]1CCCCS1(=O)=O ZINC000159391668 225208327 /nfs/dbraw/zinc/20/83/27/225208327.db2.gz DSBCBZFTFOPEHF-UWVGGRQHSA-N 0 0 339.280 1.982 10 70 EDIERN O=C(NC1CC1)[C@@H]1COCCN1Cc1ccc(Br)cc1 ZINC000160361032 225396524 /nfs/dbraw/zinc/39/65/24/225396524.db2.gz KLIYKUFRWDAKIN-AWEZNQCLSA-N 0 0 339.233 1.929 10 70 EDIERN O=C1CC[C@@H]2CN(S(=O)(=O)c3cnccc3Cl)CC[C@H]2N1 ZINC000160180137 225354766 /nfs/dbraw/zinc/35/47/66/225354766.db2.gz CWZCCMYUWVEAGH-MWLCHTKSSA-N 0 0 329.809 1.024 10 70 EDIERN O=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000161272951 225590628 /nfs/dbraw/zinc/59/06/28/225590628.db2.gz HGEAKHSGKZZDGB-OLZOCXBDSA-N 0 0 335.795 1.279 10 70 EDIERN O=S(=O)(C[C@@H]1CCCCO1)N1CCC(Cn2cccn2)CC1 ZINC000159407712 441810158 /nfs/dbraw/zinc/81/01/58/441810158.db2.gz XSGYIWWEUDIVBQ-HNNXBMFYSA-N 0 0 327.450 1.494 10 70 EDIERN CCc1ccc(NC(=O)CN2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000161009568 441946676 /nfs/dbraw/zinc/94/66/76/441946676.db2.gz NAGPRNXPTNAWNA-HNNXBMFYSA-N 0 0 330.388 1.952 10 70 EDIERN O=C(Nc1ccn(Cc2ccccc2)n1)N[C@@H]1CCc2ncnn2C1 ZINC000161159199 441964965 /nfs/dbraw/zinc/96/49/65/441964965.db2.gz DYURLDIIFRFHBG-CQSZACIVSA-N 0 0 337.387 1.659 10 70 EDIERN CC1CCC([NH+]2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)CC1 ZINC000161353371 441989992 /nfs/dbraw/zinc/98/99/92/441989992.db2.gz HLIYKGQIDZTBOB-PCKAHOCUSA-N 0 0 346.479 1.499 10 70 EDIERN CCNC(=O)[C@H]1COCCN1Cc1ccc(Br)cc1F ZINC000160350778 528223358 /nfs/dbraw/zinc/22/33/58/528223358.db2.gz OSRJMUFBORPNDI-CYBMUJFWSA-N 0 0 345.212 1.925 10 70 EDIERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)CCc1ccccc1)CC2 ZINC000159366898 528337957 /nfs/dbraw/zinc/33/79/57/528337957.db2.gz XFINKNURJKOQIX-OAHLLOKOSA-N 0 0 348.472 1.878 10 70 EDIERN CC(C)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000160042239 528421512 /nfs/dbraw/zinc/42/15/12/528421512.db2.gz WCNQCNXRZYCWJJ-SECBINFHSA-N 0 0 334.825 1.527 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000159885201 533371474 /nfs/dbraw/zinc/37/14/74/533371474.db2.gz GZSLCYRSSZKBQN-WBVHZDCISA-N 0 0 341.415 1.687 10 70 EDIERN CS(=O)(=O)N1CCC(NC(=O)c2cccc(N)c2Cl)CC1 ZINC000160243986 533382326 /nfs/dbraw/zinc/38/23/26/533382326.db2.gz WORUIGFVDFGLGI-UHFFFAOYSA-N 0 0 331.825 1.076 10 70 EDIERN COC(=O)[C@@H](c1cccnc1)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000159941980 225307026 /nfs/dbraw/zinc/30/70/26/225307026.db2.gz QEKAVRKEXPXQIU-SWLSCSKDSA-N 0 0 345.403 1.366 10 70 EDIERN NC(=O)c1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000159652511 225255431 /nfs/dbraw/zinc/25/54/31/225255431.db2.gz PBVMJOOOWMDALZ-MAUKXSAKSA-N 0 0 331.416 1.622 10 70 EDIERN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C[C@@H](O)C(C)C)cc1 ZINC000161375258 225616089 /nfs/dbraw/zinc/61/60/89/225616089.db2.gz AUCDXUXIGXGDRW-OAHLLOKOSA-N 0 0 342.461 1.139 10 70 EDIERN COC(=O)CCCc1nc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)no1 ZINC000160738891 441915446 /nfs/dbraw/zinc/91/54/46/441915446.db2.gz FEQMXSZFWOMIOU-DYVFJYSZSA-N 0 0 337.420 1.692 10 70 EDIERN Cn1cc(CNC(=O)N[C@H]2CCCC[C@H]2CO)c(C(F)(F)F)n1 ZINC000160858431 441928922 /nfs/dbraw/zinc/92/89/22/441928922.db2.gz ZWRRALXMKKJDRW-ONGXEEELSA-N 0 0 334.342 1.789 10 70 EDIERN CC(C)(C)OC(=O)NC[C@@H]1CN(c2[nH]nc3cnccc32)CCO1 ZINC000217460792 443057467 /nfs/dbraw/zinc/05/74/67/443057467.db2.gz JRJRZZKLBQZKBQ-LLVKDONJSA-N 0 0 333.392 1.688 10 70 EDIERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cccs1)CC2 ZINC000159391168 528337780 /nfs/dbraw/zinc/33/77/80/528337780.db2.gz LGSQERNWQSJLME-SNVBAGLBSA-N 0 0 326.447 1.756 10 70 EDIERN Cc1cnn(CCNC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000161129301 138642403 /nfs/dbraw/zinc/64/24/03/138642403.db2.gz RDPXBLQYPLGXJR-CQSZACIVSA-N 0 0 339.403 1.833 10 70 EDIERN Cn1c2[nH]c(-c3ccc(F)cc3Br)nc2c(=O)[nH]c1=O ZINC000159824227 201410208 /nfs/dbraw/zinc/41/02/08/201410208.db2.gz RYRUWENBTGABKV-UHFFFAOYSA-N 0 0 339.124 1.519 10 70 EDIERN CCOc1ccnc(N2CCN(Cc3nsc(N(C)C)n3)CC2)n1 ZINC000159956939 201410316 /nfs/dbraw/zinc/41/03/16/201410316.db2.gz IKOBWTHRSFDRCC-UHFFFAOYSA-N 0 0 349.464 1.115 10 70 EDIERN COc1cc(Br)ccc1C(=O)NCCn1cc(N)cn1 ZINC000160583351 201413772 /nfs/dbraw/zinc/41/37/72/201413772.db2.gz QYCHVCRTDMXIQV-UHFFFAOYSA-N 0 0 339.193 1.666 10 70 EDIERN CN(C)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC000160441853 201411799 /nfs/dbraw/zinc/41/17/99/201411799.db2.gz DUCWZXYDOJGIRZ-UHFFFAOYSA-N 0 0 341.614 1.452 10 70 EDIERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000160322972 206289119 /nfs/dbraw/zinc/28/91/19/206289119.db2.gz VJKZGNOIGQRDFA-NSHDSACASA-N 0 0 347.806 1.732 10 70 EDIERN CCc1nnc([C@@H]2CN(C(=O)Nc3cnc(CC)nc3)CCO2)[nH]1 ZINC000161149123 206330806 /nfs/dbraw/zinc/33/08/06/206330806.db2.gz CSAHIFVWTDJKAT-NSHDSACASA-N 0 0 331.380 1.325 10 70 EDIERN CC1(C)Oc2ccc(NC(=O)N[C@H]3CCc4ncnn4C3)cc2O1 ZINC000161319114 206340032 /nfs/dbraw/zinc/34/00/32/206340032.db2.gz BHXSJRNXGYZOEA-NSHDSACASA-N 0 0 329.360 1.922 10 70 EDIERN CC(C)c1nc(N(C)C)nc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000160416075 441879535 /nfs/dbraw/zinc/87/95/35/441879535.db2.gz QVPAGZSJENSLOK-KBPBESRZSA-N 0 0 334.468 1.218 10 70 EDIERN COC(=O)c1ccc(CN2CCOC[C@H]2c2nc(C)no2)c(F)c1 ZINC000160889168 441932006 /nfs/dbraw/zinc/93/20/06/441932006.db2.gz JYZLFAOZFHACTC-AWEZNQCLSA-N 0 0 335.335 1.877 10 70 EDIERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1ccc(OC)cc1Cl ZINC000159895341 540016301 /nfs/dbraw/zinc/01/63/01/540016301.db2.gz DFOHGHCRNMTTNW-AWEZNQCLSA-N 0 0 339.823 1.811 10 70 EDIERN C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2Br)C1 ZINC000161494363 205632314 /nfs/dbraw/zinc/63/23/14/205632314.db2.gz HMZYWYPBGVPNBU-BDAKNGLRSA-N 0 0 349.250 1.423 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000159973815 206272783 /nfs/dbraw/zinc/27/27/83/206272783.db2.gz HVAJOBQBMKKCMV-RDJZCZTQSA-N 0 0 343.431 1.916 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000159958910 206273562 /nfs/dbraw/zinc/27/35/62/206273562.db2.gz GYPKADBIDDNHFU-KRWDZBQOSA-N 0 0 343.431 1.237 10 70 EDIERN O=C(NCCCCNc1ccccn1)N[C@@H]1CCc2ncnn2C1 ZINC000161013238 206323165 /nfs/dbraw/zinc/32/31/65/206323165.db2.gz WXYRIKANYLZCDK-CYBMUJFWSA-N 0 0 329.408 1.179 10 70 EDIERN CC(C)(C)c1nsc(N2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000160060550 526907158 /nfs/dbraw/zinc/90/71/58/526907158.db2.gz XVXGPISNOMOLJC-UHFFFAOYSA-N 0 0 332.495 1.002 10 70 EDIERN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1noc3c1CCCC3)C2 ZINC000217845514 241280060 /nfs/dbraw/zinc/28/00/60/241280060.db2.gz UIASARGHWYJFSG-CQSZACIVSA-N 0 0 330.388 1.849 10 70 EDIERN CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000160426304 206297806 /nfs/dbraw/zinc/29/78/06/206297806.db2.gz LIZXFRXULZWYKC-KFWWJZLASA-N 0 0 328.478 1.743 10 70 EDIERN CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000160919844 206317808 /nfs/dbraw/zinc/31/78/08/206317808.db2.gz IAVHBTKEDPLJJQ-GFCCVEGCSA-N 0 0 349.416 1.208 10 70 EDIERN COc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c2cccnc12 ZINC000160964166 206320515 /nfs/dbraw/zinc/32/05/15/206320515.db2.gz AGKBLRJQXUVMDY-LLVKDONJSA-N 0 0 338.371 1.971 10 70 EDIERN CC(C)COc1ccc([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000159831818 302918673 /nfs/dbraw/zinc/91/86/73/302918673.db2.gz IAEWSHRZYXJJAI-LBPRGKRZSA-N 0 0 345.403 1.289 10 70 EDIERN C[C@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)N1CCOCC1 ZINC000160214810 441865915 /nfs/dbraw/zinc/86/59/15/441865915.db2.gz ASSHWOALLKKTAQ-LLVKDONJSA-N 0 0 347.337 1.473 10 70 EDIERN Cc1noc([C@@H]2COCCN2CC(=O)NCCC2CCCCC2)n1 ZINC000160935077 441938484 /nfs/dbraw/zinc/93/84/84/441938484.db2.gz SUDXCGCDCXKDFT-HNNXBMFYSA-N 0 0 336.436 1.838 10 70 EDIERN COCCC1(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000161032142 441948757 /nfs/dbraw/zinc/94/87/57/441948757.db2.gz ZOTODDOLEVPIDE-LSDHHAIUSA-N 0 0 325.453 1.165 10 70 EDIERN CS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000159701609 205494377 /nfs/dbraw/zinc/49/43/77/205494377.db2.gz MCJNADBSOKCMOV-LSDHHAIUSA-N 0 0 328.478 1.743 10 70 EDIERN Cc1cnn(Cc2cc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)no2)c1 ZINC000159754070 206261792 /nfs/dbraw/zinc/26/17/92/206261792.db2.gz TXVZZAOEECQMSM-KBXCAEBGSA-N 0 0 344.415 1.995 10 70 EDIERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccccc1F)CC2 ZINC000159377276 441807738 /nfs/dbraw/zinc/80/77/38/441807738.db2.gz JBOZWRFWPWJZED-NSHDSACASA-N 0 0 338.408 1.834 10 70 EDIERN CCn1cc(CN(C)C(=O)Cc2ccc(S(C)(=O)=O)cc2)c(C)n1 ZINC000218750337 536044627 /nfs/dbraw/zinc/04/46/27/536044627.db2.gz JCNKOUDHWICOQX-UHFFFAOYSA-N 0 0 349.456 1.816 10 70 EDIERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2cccnc2Cl)n1 ZINC000160870138 138641595 /nfs/dbraw/zinc/64/15/95/138641595.db2.gz SWMOHYREKWSSHU-NSHDSACASA-N 0 0 337.767 1.438 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1c1cccc(Cl)c1C(N)=S ZINC000159788800 201410467 /nfs/dbraw/zinc/41/04/67/201410467.db2.gz UFXSTHXRXVYAOH-NSHDSACASA-N 0 0 327.837 1.316 10 70 EDIERN COCCOCCCCNS(=O)(=O)c1cnc(N)c(Cl)c1 ZINC000160013591 201410729 /nfs/dbraw/zinc/41/07/29/201410729.db2.gz CEUILMYOUZEGEK-UHFFFAOYSA-N 0 0 337.829 1.039 10 70 EDIERN Cn1cnc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)c1Cl ZINC000159414758 206244224 /nfs/dbraw/zinc/24/42/24/206244224.db2.gz UDFHAUMYIBZUQI-UHFFFAOYSA-N 0 0 343.840 1.371 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCC(Nc2cccnn2)CC1 ZINC000159890164 206269191 /nfs/dbraw/zinc/26/91/91/206269191.db2.gz SGAPWHWAOWQHGL-INIZCTEOSA-N 0 0 327.388 1.662 10 70 EDIERN COc1cccc(C(C)(C)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000160176169 206283928 /nfs/dbraw/zinc/28/39/28/206283928.db2.gz HCLASQDHUBNLPH-CQSZACIVSA-N 0 0 343.431 1.879 10 70 EDIERN CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c1CC ZINC000160347205 206290710 /nfs/dbraw/zinc/29/07/10/206290710.db2.gz QGAQISAHZOZBLB-ABAIWWIYSA-N 0 0 336.436 1.245 10 70 EDIERN C[C@H](NC(=O)N1CCC(Cn2cccn2)CC1)C(=O)N1CCCCC1 ZINC000160358183 225395378 /nfs/dbraw/zinc/39/53/78/225395378.db2.gz ITDYFLQEGRBCFJ-HNNXBMFYSA-N 0 0 347.463 1.706 10 70 EDIERN CC(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000160674180 277487072 /nfs/dbraw/zinc/48/70/72/277487072.db2.gz ANTGVCIUDKDXAU-HLLBOEOZSA-N 0 0 336.407 1.868 10 70 EDIERN Cc1noc(C)c1CCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159365493 441806001 /nfs/dbraw/zinc/80/60/01/441806001.db2.gz PYLSGYZFZRBLFS-ZDUSSCGKSA-N 0 0 346.435 1.863 10 70 EDIERN CCc1nnc([C@H]2CN(C(=O)NCCc3cscn3)CCO2)[nH]1 ZINC000159387055 441808693 /nfs/dbraw/zinc/80/86/93/441808693.db2.gz XTWPYPBHQFPPMO-LLVKDONJSA-N 0 0 336.421 1.149 10 70 EDIERN O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCCN1c1ccccc1F ZINC000159683246 441830109 /nfs/dbraw/zinc/83/01/09/441830109.db2.gz FOXICEVPTMVYRZ-MAUKXSAKSA-N 0 0 347.434 1.728 10 70 EDIERN CCC1(CC)[C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C[C@H]1OC ZINC000159895360 441844026 /nfs/dbraw/zinc/84/40/26/441844026.db2.gz YFIOMFLGUNPGAZ-RBSFLKMASA-N 0 0 327.469 1.600 10 70 EDIERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000159957911 441849085 /nfs/dbraw/zinc/84/90/85/441849085.db2.gz AMPKJWIMAXJJSW-GFCCVEGCSA-N 0 0 345.451 1.568 10 70 EDIERN O=C(CCN1CCCC[C@@H]1c1nnc2n1CCCC2)N1CCOCC1 ZINC000160612045 441902411 /nfs/dbraw/zinc/90/24/11/441902411.db2.gz IPGSIBVBQXYJBY-OAHLLOKOSA-N 0 0 347.463 1.390 10 70 EDIERN Cc1nnc([C@@H]2CN(c3nc(C(C)C)nc(N(C)C)n3)CCO2)[nH]1 ZINC000160402914 441877585 /nfs/dbraw/zinc/87/75/85/441877585.db2.gz GQYBJEUEHIISDK-NSHDSACASA-N 0 0 332.412 1.065 10 70 EDIERN CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000161220526 441973987 /nfs/dbraw/zinc/97/39/87/441973987.db2.gz VDCWMCBFRUKFLS-ZDUSSCGKSA-N 0 0 328.376 1.681 10 70 EDIERN Cc1noc([C@@H]2COCCN2CCn2cnc3ccccc3c2=O)n1 ZINC000160967067 441941391 /nfs/dbraw/zinc/94/13/91/441941391.db2.gz GMAIRUIJBAGSGL-HNNXBMFYSA-N 0 0 341.371 1.161 10 70 EDIERN Cc1nc(Cl)sc1S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160181876 201411558 /nfs/dbraw/zinc/41/15/58/201411558.db2.gz JYZJHARXDONNAR-RKDXNWHRSA-N 0 0 349.865 1.394 10 70 EDIERN CNC(=O)NC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161033924 206324872 /nfs/dbraw/zinc/32/48/72/206324872.db2.gz ZNRDABHMCCAQBQ-VXGBXAGGSA-N 0 0 345.321 1.269 10 70 EDIERN NN[C@@H](c1sccc1Br)[C@H]1CCCCS1(=O)=O ZINC000160130887 225344633 /nfs/dbraw/zinc/34/46/33/225344633.db2.gz ZIKRMBWKEYBQEK-RKDXNWHRSA-N 0 0 339.280 1.982 10 70 EDIERN CN(CCN1CCS(=O)(=O)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000160133864 441861899 /nfs/dbraw/zinc/86/18/99/441861899.db2.gz YCUIRZMFCCSZIC-UHFFFAOYSA-N 0 0 328.453 1.767 10 70 EDIERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000160040557 540018413 /nfs/dbraw/zinc/01/84/13/540018413.db2.gz AQCKCWINOJAZAO-INIZCTEOSA-N 0 0 341.415 1.601 10 70 EDIERN CCCCN(Cc1c(C)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 ZINC000160778239 206312788 /nfs/dbraw/zinc/31/27/88/206312788.db2.gz OEADSQMRFPPILS-ZDUSSCGKSA-N 0 0 329.466 1.526 10 70 EDIERN COCCC1(CNC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000160956820 206319787 /nfs/dbraw/zinc/31/97/87/206319787.db2.gz TZCAVWUCPCOWPM-OAHLLOKOSA-N 0 0 347.463 1.904 10 70 EDIERN COc1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cc1Cl ZINC000159896280 441845672 /nfs/dbraw/zinc/84/56/72/441845672.db2.gz QNHLGIRXEBPJGO-GFCCVEGCSA-N 0 0 341.839 1.869 10 70 EDIERN O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000160827398 441925747 /nfs/dbraw/zinc/92/57/47/441925747.db2.gz RGIAAPBHZLSZDR-NSHDSACASA-N 0 0 347.341 1.384 10 70 EDIERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000159909317 206269734 /nfs/dbraw/zinc/26/97/34/206269734.db2.gz QJIWWJAQLQAPCJ-CYBMUJFWSA-N 0 0 342.465 1.128 10 70 EDIERN O=C(Nc1cnn(Cc2ccccc2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000161025692 206324184 /nfs/dbraw/zinc/32/41/84/206324184.db2.gz LWDDYSUJPJPPQR-CQSZACIVSA-N 0 0 337.387 1.659 10 70 EDIERN COCCOc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161331309 206341725 /nfs/dbraw/zinc/34/17/25/206341725.db2.gz GYNYLFPOBXWNNE-CYBMUJFWSA-N 0 0 331.376 1.440 10 70 EDIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCCSC ZINC000161056155 225537680 /nfs/dbraw/zinc/53/76/80/225537680.db2.gz ROKFRYDMJMIZLV-LLVKDONJSA-N 0 0 327.454 1.702 10 70 EDIERN CNC(=O)[C@H]1CCCN1C(=O)NCCc1ccc(OC)cc1Cl ZINC000159895482 540016292 /nfs/dbraw/zinc/01/62/92/540016292.db2.gz DFOHGHCRNMTTNW-CQSZACIVSA-N 0 0 339.823 1.811 10 70 EDIERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(N(C)C)n1)CC2 ZINC000161278235 138642941 /nfs/dbraw/zinc/64/29/41/138642941.db2.gz RDDCZQAKQPHHGY-ZDUSSCGKSA-N 0 0 343.435 1.116 10 70 EDIERN CO[C@@]1(CNS(=O)(=O)c2cc(N)c(F)cc2Cl)CCOC1 ZINC000159911646 533034322 /nfs/dbraw/zinc/03/43/22/533034322.db2.gz GOJQIBRWGILDEU-GFCCVEGCSA-N 0 0 338.788 1.145 10 70 EDIERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000159909470 225300384 /nfs/dbraw/zinc/30/03/84/225300384.db2.gz QJIWWJAQLQAPCJ-ZDUSSCGKSA-N 0 0 342.465 1.128 10 70 EDIERN NN[C@H](C[C@H]1CCS(=O)(=O)C1)c1sccc1Br ZINC000160112859 225340716 /nfs/dbraw/zinc/34/07/16/225340716.db2.gz RGFJXWMDKMBIPL-VXNVDRBHSA-N 0 0 339.280 1.840 10 70 EDIERN CC(C)n1ccnc1CS(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000161219201 441973331 /nfs/dbraw/zinc/97/33/31/441973331.db2.gz GKBXYOCUABPXPX-OLZOCXBDSA-N 0 0 343.449 1.063 10 70 EDIERN CCOc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1OC ZINC000161047519 441950066 /nfs/dbraw/zinc/95/00/66/441950066.db2.gz JBBGDBLRYBXXIX-GFCCVEGCSA-N 0 0 331.376 1.822 10 70 EDIERN Cc1cccc(N2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)c1 ZINC000161043963 441950256 /nfs/dbraw/zinc/95/02/56/441950256.db2.gz KUIWLOQUZUFARP-HNNXBMFYSA-N 0 0 340.431 1.433 10 70 EDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)C1CCCCC1)CC2 ZINC000161472264 442002999 /nfs/dbraw/zinc/00/29/99/442002999.db2.gz POZKWRWBAXDROP-HUUCEWRRSA-N 0 0 349.479 1.957 10 70 EDIERN COc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)c2cccnc12 ZINC000160964283 534139169 /nfs/dbraw/zinc/13/91/69/534139169.db2.gz AGKBLRJQXUVMDY-NSHDSACASA-N 0 0 338.371 1.971 10 70 EDIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1 ZINC000159507267 528162185 /nfs/dbraw/zinc/16/21/85/528162185.db2.gz BKEOGNQGYGJDNL-SNVBAGLBSA-N 0 0 346.387 1.171 10 70 EDIERN CN(C)c1ncccc1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160245577 529814250 /nfs/dbraw/zinc/81/42/50/529814250.db2.gz YULHLUCQBOSEOU-MAUKXSAKSA-N 0 0 332.448 1.984 10 70 EDIERN Cc1ccc(OCCN(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000161227696 138642760 /nfs/dbraw/zinc/64/27/60/138642760.db2.gz JPLVXNGLSHAGGK-AWEZNQCLSA-N 0 0 329.404 1.622 10 70 EDIERN CC(=O)c1ccc(OCC(=O)N2CCn3nc([C@H](C)O)cc3C2)cc1 ZINC000218104241 241298264 /nfs/dbraw/zinc/29/82/64/241298264.db2.gz IVEMKPCFJYNGCM-ZDUSSCGKSA-N 0 0 343.383 1.560 10 70 EDIERN COc1c(C(=O)NC[C@@H]2C[C@@H]2C)cc(Cl)cc1S(N)(=O)=O ZINC000160343751 533389826 /nfs/dbraw/zinc/38/98/26/533389826.db2.gz MCWCIVFKMWHQIA-YUMQZZPRSA-N 0 0 332.809 1.382 10 70 EDIERN CCn1cc(C2CCN(C(=O)C(=O)Nc3ccc(F)nc3)CC2)cn1 ZINC000161218764 225578355 /nfs/dbraw/zinc/57/83/55/225578355.db2.gz HCJBOTBMBHVAHN-UHFFFAOYSA-N 0 0 345.378 1.782 10 70 EDIERN C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(N)cc2Br)C1 ZINC000161494123 225637370 /nfs/dbraw/zinc/63/73/70/225637370.db2.gz HMZYWYPBGVPNBU-RKDXNWHRSA-N 0 0 349.250 1.423 10 70 EDIERN Cc1ncc(CN2CCN(Cc3nsc(N(C)C)n3)CC2)s1 ZINC000159900551 267497367 /nfs/dbraw/zinc/49/73/67/267497367.db2.gz HDASZJWKYXNCCW-UHFFFAOYSA-N 0 0 338.506 1.687 10 70 EDIERN Cc1noc([C@@H]2COCCN2CC(=O)N(CC(C)C)CC(C)C)n1 ZINC000161025896 302925530 /nfs/dbraw/zinc/92/55/30/302925530.db2.gz XYVYBRQUBTUVOI-HNNXBMFYSA-N 0 0 338.452 1.892 10 70 EDIERN COCCOc1cccc(CC(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000161179183 302925793 /nfs/dbraw/zinc/92/57/93/302925793.db2.gz UWQPPRUOMRTMDO-MRXNPFEDSA-N 0 0 334.416 1.334 10 70 EDIERN CCCCCc1nnc(NC(=O)N[C@H]2CCc3ncnn3C2)s1 ZINC000161215155 441973328 /nfs/dbraw/zinc/97/33/28/441973328.db2.gz BUTMZHQONZSYBC-JTQLQIEISA-N 0 0 335.437 1.999 10 70 EDIERN O=C(CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)N1CCCCC1 ZINC000161117020 441959129 /nfs/dbraw/zinc/95/91/29/441959129.db2.gz DWWJAEAIDRERJE-MAUKXSAKSA-N 0 0 337.464 1.726 10 70 EDIERN C[C@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccc(Br)cc1 ZINC000161167001 441965405 /nfs/dbraw/zinc/96/54/05/441965405.db2.gz GGEFMCYNXLQBTA-FZMZJTMJSA-N 0 0 341.249 1.999 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000159501848 528214891 /nfs/dbraw/zinc/21/48/91/528214891.db2.gz RBHHJNQDRXENSK-VIFPVBQESA-N 0 0 332.187 1.366 10 70 EDIERN CNS(=O)(=O)c1ccc(N(CC(F)(F)F)C(C)C)cc1N ZINC000159603900 530030314 /nfs/dbraw/zinc/03/03/14/530030314.db2.gz FAESUIGXXIFTLU-UHFFFAOYSA-N 0 0 325.356 1.954 10 70 EDIERN CC(C)COc1ccc([C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O)cc1 ZINC000159553292 540010722 /nfs/dbraw/zinc/01/07/22/540010722.db2.gz ACQLIHGFUXDGQA-OLZOCXBDSA-N 0 0 342.461 1.836 10 70 EDIERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCC(C)(C)CO ZINC000160384552 138640066 /nfs/dbraw/zinc/64/00/66/138640066.db2.gz OHKZQMAKFJPPKS-CYBMUJFWSA-N 0 0 334.482 1.106 10 70 EDIERN Cc1noc([C@H]2COCCN2CC(=O)Nc2cccnc2Cl)n1 ZINC000160870297 138641652 /nfs/dbraw/zinc/64/16/52/138641652.db2.gz SWMOHYREKWSSHU-LLVKDONJSA-N 0 0 337.767 1.438 10 70 EDIERN COCCN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@H](C)C(N)=O ZINC000159812622 225283791 /nfs/dbraw/zinc/28/37/91/225283791.db2.gz KLGCEZCKGFOUTM-RISCZKNCSA-N 0 0 339.823 1.655 10 70 EDIERN Cc1cc(C)c(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c(Br)c1 ZINC000159997126 225316626 /nfs/dbraw/zinc/31/66/26/225316626.db2.gz JZRQJPMKQICUBK-UHFFFAOYSA-N 0 0 338.161 1.695 10 70 EDIERN Cc1noc([C@H]2COCCN2Cc2cc(=O)n3c(C)cccc3n2)n1 ZINC000160991552 225522405 /nfs/dbraw/zinc/52/24/05/225522405.db2.gz WGTFSXOTXVVXTG-CQSZACIVSA-N 0 0 341.371 1.268 10 70 EDIERN O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@H]1CCc2ncnn2C1 ZINC000160982810 441944793 /nfs/dbraw/zinc/94/47/93/441944793.db2.gz SWQCGTWCAFWESR-AWEZNQCLSA-N 0 0 340.387 1.763 10 70 EDIERN O=C(Nc1cnn(Cc2ccccc2)c1)N[C@H]1CCc2ncnn2C1 ZINC000161025835 441947982 /nfs/dbraw/zinc/94/79/82/441947982.db2.gz LWDDYSUJPJPPQR-AWEZNQCLSA-N 0 0 337.387 1.659 10 70 EDIERN C[C@@H](CNC(=O)Cc1cccc(OC(F)(F)F)c1)N1CCOCC1 ZINC000161272899 441979188 /nfs/dbraw/zinc/97/91/88/441979188.db2.gz RWYKXFAFEKWCNR-LBPRGKRZSA-N 0 0 346.349 1.965 10 70 EDIERN COC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1C ZINC000161424487 441998302 /nfs/dbraw/zinc/99/83/02/441998302.db2.gz FDCXRYBEQFOYBA-CYBMUJFWSA-N 0 0 345.403 1.562 10 70 EDIERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2ccccc2F)CC1 ZINC000161290834 441981260 /nfs/dbraw/zinc/98/12/60/441981260.db2.gz JPWKDZSIRZHNFC-CYBMUJFWSA-N 0 0 344.394 1.264 10 70 EDIERN COC(=O)N[C@@H](C(=O)Nc1cccn(CC(F)(F)F)c1=O)C(C)C ZINC000159443310 534140364 /nfs/dbraw/zinc/14/03/64/534140364.db2.gz SMAAKXFSWCULFF-SNVBAGLBSA-N 0 0 349.309 1.730 10 70 EDIERN CC(C)[C@H](O)CC(=O)NCCCCN1C(=O)c2ccccc2C1=O ZINC000159692890 527718853 /nfs/dbraw/zinc/71/88/53/527718853.db2.gz CYWWJJLQRYFIET-OAHLLOKOSA-N 0 0 332.400 1.586 10 70 EDIERN CC1(C)CC[C@@H](Cn2cncc(I)c2=O)O1 ZINC000160769866 529024753 /nfs/dbraw/zinc/02/47/53/529024753.db2.gz HWJLGRGJUHMNHC-QMMMGPOBSA-N 0 0 334.157 1.806 10 70 EDIERN CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCCC[C@H]2CO)c1CC ZINC000160347353 529697086 /nfs/dbraw/zinc/69/70/86/529697086.db2.gz QGAQISAHZOZBLB-XHDPSFHLSA-N 0 0 336.436 1.245 10 70 EDIERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CCO2)[nH]1 ZINC000160538309 138640545 /nfs/dbraw/zinc/64/05/45/138640545.db2.gz LGLFPXICJVZDGT-RDBSUJKOSA-N 0 0 349.435 1.408 10 70 EDIERN C[C@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1Cl ZINC000159712627 225264954 /nfs/dbraw/zinc/26/49/54/225264954.db2.gz UJLSJZIOGSSCKM-BZNIZROVSA-N 0 0 349.822 1.453 10 70 EDIERN COC[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159747088 225271397 /nfs/dbraw/zinc/27/13/97/225271397.db2.gz HZSSOUCEVAQSRX-TVQRCGJNSA-N 0 0 328.771 1.983 10 70 EDIERN Cc1noc([C@@H]2COCCN2CC(=O)N(C)CC2CCCCC2)n1 ZINC000161150992 441964012 /nfs/dbraw/zinc/96/40/12/441964012.db2.gz XTCAKOHUPRKZIU-HNNXBMFYSA-N 0 0 336.436 1.790 10 70 EDIERN Cc1noc([C@H]2COCCN2CCC(=O)OCc2ccccc2)n1 ZINC000161173640 441967082 /nfs/dbraw/zinc/96/70/82/441967082.db2.gz SYOXJMWJFVJJQU-OAHLLOKOSA-N 0 0 331.372 1.885 10 70 EDIERN Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000161380194 441992120 /nfs/dbraw/zinc/99/21/20/441992120.db2.gz PAPQUFFSVVUIPM-JQWIXIFHSA-N 0 0 325.796 1.649 10 70 EDIERN CCNC(=O)[C@H]1COCCN1c1ccc(Cl)cc1C(N)=S ZINC000159792533 528223317 /nfs/dbraw/zinc/22/33/17/528223317.db2.gz FZHWBJNGUZQYSA-GFCCVEGCSA-N 0 0 327.837 1.316 10 70 EDIERN CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000159831671 529910984 /nfs/dbraw/zinc/91/09/84/529910984.db2.gz CCRSWDAROMTVEQ-NSHDSACASA-N 0 0 345.168 1.175 10 70 EDIERN CNC(=O)[C@H]1COCCN1C(=O)c1cccc(F)c1Br ZINC000159834984 529929125 /nfs/dbraw/zinc/92/91/25/529929125.db2.gz IZLGDGVUJLTNPH-SNVBAGLBSA-N 0 0 345.168 1.175 10 70 EDIERN CNC(=O)[C@H]1COCCN1C(=O)c1cccc(Br)c1C ZINC000159832829 529929148 /nfs/dbraw/zinc/92/91/48/529929148.db2.gz QETXWQYJIATZGC-GFCCVEGCSA-N 0 0 341.205 1.345 10 70 EDIERN NC(=O)N1CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159793174 283299089 /nfs/dbraw/zinc/29/90/89/283299089.db2.gz OTRVMXJBPIDXIZ-CQSZACIVSA-N 0 0 336.823 1.919 10 70 EDIERN Cc1noc([C@H]2COCCN2CCN2C(=O)c3ccccc3C2=O)n1 ZINC000160988387 138641912 /nfs/dbraw/zinc/64/19/12/138641912.db2.gz ROGCVDONIGCZST-CQSZACIVSA-N 0 0 342.355 1.048 10 70 EDIERN CS(=O)(=O)[C@@H]1CSCCN1c1ccc(C(N)=S)c(F)c1 ZINC000160567003 533431452 /nfs/dbraw/zinc/43/14/52/533431452.db2.gz ADTZBEIZKAORIQ-LLVKDONJSA-N 0 0 334.463 1.384 10 70 EDIERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCC(CO)CC1 ZINC000160344534 533547305 /nfs/dbraw/zinc/54/73/05/533547305.db2.gz GCULYIKZJUHCQP-KBPBESRZSA-N 0 0 332.400 1.643 10 70 EDIERN Cc1cc(C)c(NC(=O)c2c[nH]c(=O)[nH]c2=O)c(Br)c1 ZINC000160018789 225320805 /nfs/dbraw/zinc/32/08/05/225320805.db2.gz VPDVEWMTYWMFFR-UHFFFAOYSA-N 0 0 338.161 1.695 10 70 EDIERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(C(=O)OC)cs1)CC2 ZINC000160653102 441905331 /nfs/dbraw/zinc/90/53/31/441905331.db2.gz SUHSUOBUFXRAES-SNVBAGLBSA-N 0 0 349.416 1.825 10 70 EDIERN CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000160388620 441876736 /nfs/dbraw/zinc/87/67/36/441876736.db2.gz SERKUKHBWWWRDS-IUODEOHRSA-N 0 0 340.445 1.423 10 70 EDIERN C[C@H](O)C1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000160869784 441930037 /nfs/dbraw/zinc/93/00/37/441930037.db2.gz ZUDKUABXALRLBM-VIFPVBQESA-N 0 0 334.342 1.741 10 70 EDIERN O=C(Nc1ccc2c(c1)CCC(=O)N2)N[C@H]1CCc2ncnn2C1 ZINC000161042652 441950230 /nfs/dbraw/zinc/95/02/30/441950230.db2.gz JYNFVLFBBSCPQY-LBPRGKRZSA-N 0 0 326.360 1.299 10 70 EDIERN CC(C)NC(=O)c1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000159975836 527720546 /nfs/dbraw/zinc/72/05/46/527720546.db2.gz LAVPYTKKOPDDOS-CQSZACIVSA-N 0 0 333.432 1.275 10 70 EDIERN Cc1[nH]c(=O)c(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)c(C)c1C ZINC000218561218 241330488 /nfs/dbraw/zinc/33/04/88/241330488.db2.gz USRUEBZVSOXVCD-LDZOIKDWSA-N 0 0 344.415 1.276 10 70 EDIERN CO[C@]1(CNS(=O)(=O)c2cc(N)c(C)c(Cl)c2)CCOC1 ZINC000159913332 533382106 /nfs/dbraw/zinc/38/21/06/533382106.db2.gz MBFKHAQQGSKREF-ZDUSSCGKSA-N 0 0 334.825 1.314 10 70 EDIERN Cc1nc(Cl)sc1S(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160182009 225356797 /nfs/dbraw/zinc/35/67/97/225356797.db2.gz JYZJHARXDONNAR-BDAKNGLRSA-N 0 0 349.865 1.394 10 70 EDIERN O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000160702762 441912228 /nfs/dbraw/zinc/91/22/28/441912228.db2.gz OGAPPSRQUHAKSV-LLVKDONJSA-N 0 0 330.310 1.042 10 70 EDIERN CN1CCCc2cc(NC(=O)N[C@@H]3CCc4ncnn4C3)ccc21 ZINC000161210950 441972351 /nfs/dbraw/zinc/97/23/51/441972351.db2.gz BGFYKJWPUKLAHM-CQSZACIVSA-N 0 0 326.404 1.797 10 70 EDIERN COCCC1(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1 ZINC000161031771 441948788 /nfs/dbraw/zinc/94/87/88/441948788.db2.gz ZOTODDOLEVPIDE-CABCVRRESA-N 0 0 325.453 1.165 10 70 EDIERN CN(CCOc1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161288119 441981096 /nfs/dbraw/zinc/98/10/96/441981096.db2.gz CCZAUIDOHOBOHP-CYBMUJFWSA-N 0 0 349.822 1.967 10 70 EDIERN CC(C)(CO)CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000160351292 527205106 /nfs/dbraw/zinc/20/51/06/527205106.db2.gz KBOWQKFPRDDIDM-UHFFFAOYSA-N 0 0 332.809 1.131 10 70 EDIERN Cc1[nH]c(=O)c(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c(C)c1C ZINC000218561311 241330950 /nfs/dbraw/zinc/33/09/50/241330950.db2.gz USRUEBZVSOXVCD-PXCJXSSVSA-N 0 0 344.415 1.276 10 70 EDIERN Cc1ccc(NC(=O)C[C@H](O)C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000160725913 441914589 /nfs/dbraw/zinc/91/45/89/441914589.db2.gz OVNDAIMQACACBY-AWEZNQCLSA-N 0 0 340.445 1.781 10 70 EDIERN CC(C)[C@@H](O)CC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000161207795 441972731 /nfs/dbraw/zinc/97/27/31/441972731.db2.gz IQBPWFOEFFFDDC-INIZCTEOSA-N 0 0 332.400 1.935 10 70 EDIERN CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161180362 441967595 /nfs/dbraw/zinc/96/75/95/441967595.db2.gz JHIWLSAKDCCVFQ-CYBMUJFWSA-N 0 0 343.387 1.553 10 70 EDIERN CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161339832 441987664 /nfs/dbraw/zinc/98/76/64/441987664.db2.gz GMMNXZWTWUMHGZ-GFCCVEGCSA-N 0 0 329.360 1.163 10 70 EDIERN C[C@@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)N1CCOCC1 ZINC000159649107 534032415 /nfs/dbraw/zinc/03/24/15/534032415.db2.gz UHKXWUZCVVHRPQ-NSHDSACASA-N 0 0 333.363 1.118 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1Cc1ccc(F)cc1Br ZINC000160349789 528216441 /nfs/dbraw/zinc/21/64/41/528216441.db2.gz GKGWHFJJIDMTLX-ZDUSSCGKSA-N 0 0 345.212 1.925 10 70 EDIERN CCNC(=O)[C@H]1COCCN1c1ccc(C(N)=S)cc1Cl ZINC000159792245 528224209 /nfs/dbraw/zinc/22/42/09/528224209.db2.gz FBQFWOCAYPHKHJ-GFCCVEGCSA-N 0 0 327.837 1.316 10 70 EDIERN Cc1noc([C@H]2COCCN2Cc2nc3ccccc3c(=O)n2C)n1 ZINC000161053634 282414014 /nfs/dbraw/zinc/41/40/14/282414014.db2.gz ISBRIKLXIMCPDA-CQSZACIVSA-N 0 0 341.371 1.198 10 70 EDIERN CS(=O)(=O)C[C@@H](Cc1cccc(F)c1Br)NN ZINC000160062161 533363599 /nfs/dbraw/zinc/36/35/99/533363599.db2.gz OWEOTDLNZNRKOB-MRVPVSSYSA-N 0 0 325.203 1.007 10 70 EDIERN Cc1ccc(Br)cc1-c1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000159812529 225283525 /nfs/dbraw/zinc/28/35/25/225283525.db2.gz VSTJRDSNWQTYCX-UHFFFAOYSA-N 0 0 335.161 1.688 10 70 EDIERN Cc1cccc(-n2cc(C(=O)NC[C@@H](C)N3CCOCC3)nn2)c1 ZINC000159988171 302919717 /nfs/dbraw/zinc/91/97/17/302919717.db2.gz YCWXTHHXNBSALF-CQSZACIVSA-N 0 0 329.404 1.026 10 70 EDIERN CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159970219 441851738 /nfs/dbraw/zinc/85/17/38/441851738.db2.gz OKGOPKVZHSZNCK-GFCCVEGCSA-N 0 0 340.445 1.733 10 70 EDIERN Cc1noc([C@@H]2COCCN2CC(=O)NCc2sccc2C)n1 ZINC000160797834 441922184 /nfs/dbraw/zinc/92/21/84/441922184.db2.gz ATKOWJSRJULMQQ-LBPRGKRZSA-N 0 0 336.417 1.438 10 70 EDIERN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000161228065 441974951 /nfs/dbraw/zinc/97/49/51/441974951.db2.gz PHULTRFSLMSDDR-GFCCVEGCSA-N 0 0 330.450 1.530 10 70 EDIERN CCC[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)C(=O)OC(C)(C)C ZINC000161402595 441997247 /nfs/dbraw/zinc/99/72/47/441997247.db2.gz DCZUUFYXMRTHDG-CQSZACIVSA-N 0 0 345.403 1.903 10 70 EDIERN O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000161292331 441981595 /nfs/dbraw/zinc/98/15/95/441981595.db2.gz PAYWVHHIOHBERB-AWEZNQCLSA-N 0 0 344.394 1.264 10 70 EDIERN Cc1nc(SCCC(=O)N2CC[C@H](Oc3cccnc3)C2)n[nH]1 ZINC000161500479 442006245 /nfs/dbraw/zinc/00/62/45/442006245.db2.gz ACYKXVGDFMPPSF-ZDUSSCGKSA-N 0 0 333.417 1.670 10 70 EDIERN CN(C)c1ncccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160245695 529814272 /nfs/dbraw/zinc/81/42/72/529814272.db2.gz YULHLUCQBOSEOU-YJBOKZPZSA-N 0 0 332.448 1.984 10 70 EDIERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000160167892 529902604 /nfs/dbraw/zinc/90/26/04/529902604.db2.gz ONHIIDZYCPZNGL-CVEARBPZSA-N 0 0 347.459 1.709 10 70 EDIERN CNC(=O)[C@H]1COCCN1c1ccc([C@@H](C)O)cc1Br ZINC000160079854 529929083 /nfs/dbraw/zinc/92/90/83/529929083.db2.gz ZGSJOCJUCYYPEF-NOZJJQNGSA-N 0 0 343.221 1.454 10 70 EDIERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000159439759 225217962 /nfs/dbraw/zinc/21/79/62/225217962.db2.gz NJXYYHFDXJTVDT-ZWNOBZJWSA-N 0 0 328.459 1.260 10 70 EDIERN Cc1ncoc1C(=O)Nc1c(C)cc(S(N)(=O)=O)cc1Cl ZINC000159486370 225226340 /nfs/dbraw/zinc/22/63/40/225226340.db2.gz WVCDAFJPGHDPRZ-UHFFFAOYSA-N 0 0 329.765 1.845 10 70 EDIERN C[C@@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1Cl ZINC000159712516 225265032 /nfs/dbraw/zinc/26/50/32/225265032.db2.gz UJLSJZIOGSSCKM-BDJLRTHQSA-N 0 0 349.822 1.453 10 70 EDIERN Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cnn1-c1ccccc1 ZINC000160244234 225369847 /nfs/dbraw/zinc/36/98/47/225369847.db2.gz DIXLVGPWIXPBJR-WBMJQRKESA-N 0 0 342.399 1.803 10 70 EDIERN O=C(NC1CC1)[C@H]1COCCN1Cc1cccc(Br)c1 ZINC000160360642 225395520 /nfs/dbraw/zinc/39/55/20/225395520.db2.gz MJZKLDKKPYVZIJ-CQSZACIVSA-N 0 0 339.233 1.929 10 70 EDIERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C(F)(F)C3(O)CCC3)C2)n1 ZINC000160441774 441883457 /nfs/dbraw/zinc/88/34/57/441883457.db2.gz VBSUMVUBKSAQOH-ZDUSSCGKSA-N 0 0 342.390 1.684 10 70 EDIERN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000160552912 441896273 /nfs/dbraw/zinc/89/62/73/441896273.db2.gz JJKYIRRQXBCHDX-SECBINFHSA-N 0 0 347.341 1.366 10 70 EDIERN O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161355878 441989817 /nfs/dbraw/zinc/98/98/17/441989817.db2.gz NYAUTAGHZRTFEG-KRWDZBQOSA-N 0 0 335.367 1.956 10 70 EDIERN NC(=S)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCOC2)c1 ZINC000160883159 534530444 /nfs/dbraw/zinc/53/04/44/534530444.db2.gz UHAJTLAEKGJNCF-SECBINFHSA-N 0 0 334.850 1.432 10 70 EDIERN CNC(=O)[C@@H]1COCCN1C(=O)c1cccc(Br)c1C ZINC000159832965 529910922 /nfs/dbraw/zinc/91/09/22/529910922.db2.gz QETXWQYJIATZGC-LBPRGKRZSA-N 0 0 341.205 1.345 10 70 EDIERN CC(=O)c1ccc(OCC(=O)N2CCn3nc([C@@H](C)O)cc3C2)cc1 ZINC000218104172 241297395 /nfs/dbraw/zinc/29/73/95/241297395.db2.gz IVEMKPCFJYNGCM-CYBMUJFWSA-N 0 0 343.383 1.560 10 70 EDIERN NN[C@@H](C[C@H]1CCS(=O)(=O)C1)c1cscc1Br ZINC000159371009 225205827 /nfs/dbraw/zinc/20/58/27/225205827.db2.gz ZKMRTAOQHAHBLL-XCBNKYQSSA-N 0 0 339.280 1.840 10 70 EDIERN O=C(N[C@H]1CCc2ncnn2C1)N1CCN(Cc2ccccc2)CC1 ZINC000161186629 274994774 /nfs/dbraw/zinc/99/47/74/274994774.db2.gz UJVUOROUHKRKQA-INIZCTEOSA-N 0 0 340.431 1.120 10 70 EDIERN Cc1ccc(CCNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cn1 ZINC000159637941 441826230 /nfs/dbraw/zinc/82/62/30/441826230.db2.gz CENZGYGAUPGDGF-OAHLLOKOSA-N 0 0 342.447 1.962 10 70 EDIERN CN(CCCOc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161034400 441948975 /nfs/dbraw/zinc/94/89/75/441948975.db2.gz YGVQQETUBZWTRW-AWEZNQCLSA-N 0 0 329.404 1.703 10 70 EDIERN O=C(Nc1cc2c(cc1Cl)OCO2)N[C@H]1CCc2ncnn2C1 ZINC000161178922 441967384 /nfs/dbraw/zinc/96/73/84/441967384.db2.gz XZYTWXJTDQUAFF-QMMMGPOBSA-N 0 0 335.751 1.797 10 70 EDIERN CSc1nccc(-c2cc(C(=O)NO[C@@H]3CCCCO3)[nH]n2)n1 ZINC000216709317 485543344 /nfs/dbraw/zinc/54/33/44/485543344.db2.gz IIGICFJPZPXIMJ-GFCCVEGCSA-N 0 0 335.389 1.777 10 70 EDIERN CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000159841951 526312951 /nfs/dbraw/zinc/31/29/51/526312951.db2.gz HDVXSZMBNAHAEC-UHFFFAOYSA-N 0 0 337.804 1.254 10 70 EDIERN CC(C)[C@H](O)CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000160275997 527718937 /nfs/dbraw/zinc/71/89/37/527718937.db2.gz USVOVKLQGVXJQT-OAHLLOKOSA-N 0 0 340.445 1.233 10 70 EDIERN CC1(C)C[C@H](NC(=O)c2nccnc2C(N)=O)c2ccccc2O1 ZINC000159850255 527741230 /nfs/dbraw/zinc/74/12/30/527741230.db2.gz VGIOLFIPJFJEHP-NSHDSACASA-N 0 0 326.356 1.608 10 70 EDIERN CCCCN(C)S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159389357 528367131 /nfs/dbraw/zinc/36/71/31/528367131.db2.gz AQJUBAPBPRYSNR-LBPRGKRZSA-N 0 0 329.470 1.283 10 70 EDIERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000160167491 529923491 /nfs/dbraw/zinc/92/34/91/529923491.db2.gz ONHIIDZYCPZNGL-JKSUJKDBSA-N 0 0 347.459 1.709 10 70 EDIERN Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)Nc2cc(C)nn2C)n(C)n1 ZINC000159837116 225286343 /nfs/dbraw/zinc/28/63/43/225286343.db2.gz ZVHAIACRNWHXGX-BETUJISGSA-N 0 0 344.419 1.764 10 70 EDIERN O=C1CC[C@@H]2CN(S(=O)(=O)c3ccnc(Cl)c3)CC[C@@H]2N1 ZINC000160179989 225354711 /nfs/dbraw/zinc/35/47/11/225354711.db2.gz NLQSPJCGANJVEL-KOLCDFICSA-N 0 0 329.809 1.024 10 70 EDIERN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1cnc2c(c1)ncn2C ZINC000159760172 441835187 /nfs/dbraw/zinc/83/51/87/441835187.db2.gz XCYWSBMTQIEFNB-CYBMUJFWSA-N 0 0 347.444 1.256 10 70 EDIERN O=C1CCC(=O)N1CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160614594 441902461 /nfs/dbraw/zinc/90/24/61/441902461.db2.gz SPSQOPMQJYXQGX-CYBMUJFWSA-N 0 0 331.420 1.290 10 70 EDIERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCC(C)(C)CO ZINC000160384699 441875509 /nfs/dbraw/zinc/87/55/09/441875509.db2.gz OHKZQMAKFJPPKS-ZDUSSCGKSA-N 0 0 334.482 1.106 10 70 EDIERN O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@H]1CCc2ncnn2C1 ZINC000160945237 441939141 /nfs/dbraw/zinc/93/91/41/441939141.db2.gz PXVXBPAJULPHMA-AWEZNQCLSA-N 0 0 340.387 1.307 10 70 EDIERN C[C@@H](CNC(=O)c1cccc(OCC(F)(F)F)n1)N1CCOCC1 ZINC000159646017 534045930 /nfs/dbraw/zinc/04/59/30/534045930.db2.gz DWJRSSJBCQMZAG-NSHDSACASA-N 0 0 347.337 1.473 10 70 EDIERN CC[C@H](CNC(=O)N1CCC[C@@H]1C(=O)NC)Oc1cccc(F)c1 ZINC000159645298 529343217 /nfs/dbraw/zinc/34/32/17/529343217.db2.gz ZYVRNSQDFNRMIU-UKRRQHHQSA-N 0 0 337.395 1.903 10 70 EDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000160717772 535886118 /nfs/dbraw/zinc/88/61/18/535886118.db2.gz CCFWDMLYYISMMN-UHFFFAOYSA-N 0 0 331.376 1.613 10 70 EDIERN CNC(=O)[C@H]1COCCN1CCOc1cccc(Br)c1 ZINC000160354378 529929255 /nfs/dbraw/zinc/92/92/55/529929255.db2.gz WOEYUOJEFFOQFY-CYBMUJFWSA-N 0 0 343.221 1.275 10 70 EDIERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc([S@@](C)=O)cc1 ZINC000159945219 533284815 /nfs/dbraw/zinc/28/48/15/533284815.db2.gz FETNWOBRHKDUQI-RZFZLAGVSA-N 0 0 348.428 1.427 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000159973696 533370577 /nfs/dbraw/zinc/37/05/77/533370577.db2.gz HVAJOBQBMKKCMV-WBVHZDCISA-N 0 0 343.431 1.916 10 70 EDIERN COc1ccc(CN(C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1C ZINC000161255814 533528101 /nfs/dbraw/zinc/52/81/01/533528101.db2.gz DJOFBAHDRQRANZ-CQSZACIVSA-N 0 0 329.404 1.752 10 70 EDIERN Cc1nc(N)sc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160804047 225481488 /nfs/dbraw/zinc/48/14/88/225481488.db2.gz VOXCCCNHKXZKKC-MFKMUULPSA-N 0 0 331.463 1.349 10 70 EDIERN CN(C)c1nc(CN2CCCN(Cc3cnn(C)c3)CC2)ns1 ZINC000159959213 441849837 /nfs/dbraw/zinc/84/98/37/441849837.db2.gz SUJJSRZXAAMJMS-UHFFFAOYSA-N 0 0 335.481 1.046 10 70 EDIERN CCCOC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161232175 441975132 /nfs/dbraw/zinc/97/51/32/441975132.db2.gz ACCBCBBINPRHLV-CQSZACIVSA-N 0 0 343.387 1.981 10 70 EDIERN Cc1noc([C@@H]2COCCN2C[C@H](O)COCc2ccccc2)n1 ZINC000160933921 441937990 /nfs/dbraw/zinc/93/79/90/441937990.db2.gz QRIJPCGLFVFHMM-HOTGVXAUSA-N 0 0 333.388 1.329 10 70 EDIERN CCCC[C@@H](COC)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000161067757 441951955 /nfs/dbraw/zinc/95/19/55/441951955.db2.gz HTMFVEOTARVYPC-STQMWFEESA-N 0 0 339.440 1.764 10 70 EDIERN CNC(=O)c1cc(NC(=O)N[C@H]2CCc3ncnn3C2)ccc1Cl ZINC000161090798 441955191 /nfs/dbraw/zinc/95/51/91/441955191.db2.gz QVNKOQZFTULRGB-JTQLQIEISA-N 0 0 348.794 1.428 10 70 EDIERN CN(CCOc1ccc(F)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161103521 441957667 /nfs/dbraw/zinc/95/76/67/441957667.db2.gz LJGFGPPVNKIZJU-ZDUSSCGKSA-N 0 0 333.367 1.452 10 70 EDIERN O=C(Nc1cccc(N2CCCC2=O)c1)N[C@@H]1CCc2ncnn2C1 ZINC000161177062 441967416 /nfs/dbraw/zinc/96/74/16/441967416.db2.gz SWODDCWGRMSPLC-CYBMUJFWSA-N 0 0 340.387 1.541 10 70 EDIERN Cn1cc([C@@H]2CCCN2C(=O)c2csc(S(C)(=O)=O)c2)cn1 ZINC000161395373 441995480 /nfs/dbraw/zinc/99/54/80/441995480.db2.gz ZXPCNTCAQLKPRU-LBPRGKRZSA-N 0 0 339.442 1.862 10 70 EDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](CO)c1ccccc1)CC2 ZINC000161456293 442001845 /nfs/dbraw/zinc/00/18/45/442001845.db2.gz FNDJQZKZCWXJMB-HUUCEWRRSA-N 0 0 343.431 1.749 10 70 EDIERN C[C@@H](COc1cc(F)ccc1Br)CS(N)(=O)=O ZINC000160632151 534167653 /nfs/dbraw/zinc/16/76/53/534167653.db2.gz XHAPKDKIJQPFRN-ZETCQYMHSA-N 0 0 326.187 1.892 10 70 EDIERN O=C(CCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)N1CCCCC1 ZINC000161117125 534422811 /nfs/dbraw/zinc/42/28/11/534422811.db2.gz DWWJAEAIDRERJE-YJBOKZPZSA-N 0 0 337.464 1.726 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1c1ccc(C(N)=S)cc1Cl ZINC000159792101 528215781 /nfs/dbraw/zinc/21/57/81/528215781.db2.gz FBQFWOCAYPHKHJ-LBPRGKRZSA-N 0 0 327.837 1.316 10 70 EDIERN CNC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000159577141 529911145 /nfs/dbraw/zinc/91/11/45/529911145.db2.gz OXGJBUJMJPWVPY-JTQLQIEISA-N 0 0 332.187 1.163 10 70 EDIERN CS(=O)(=O)C[C@H](Cc1cc(F)cc(Br)c1)NN ZINC000159772835 533367876 /nfs/dbraw/zinc/36/78/76/533367876.db2.gz YERLMSXZYUKINH-JTQLQIEISA-N 0 0 325.203 1.007 10 70 EDIERN COC[C@H](C)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159747348 225271205 /nfs/dbraw/zinc/27/12/05/225271205.db2.gz HZSSOUCEVAQSRX-ZANVPECISA-N 0 0 328.771 1.983 10 70 EDIERN COC[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159747490 225271304 /nfs/dbraw/zinc/27/13/04/225271304.db2.gz HZSSOUCEVAQSRX-RNCFNFMXSA-N 0 0 328.771 1.983 10 70 EDIERN COCCNCc1nnnn1-c1c(C)cc(C)cc1Br ZINC000159948307 225309189 /nfs/dbraw/zinc/30/91/89/225309189.db2.gz UVCSVLSWVFEDPD-UHFFFAOYSA-N 0 0 340.225 1.778 10 70 EDIERN NC(=O)[C@@H]1COCCN1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000161375222 225615199 /nfs/dbraw/zinc/61/51/99/225615199.db2.gz NNWQFMMGSGPIMH-LBPRGKRZSA-N 0 0 339.367 1.774 10 70 EDIERN O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC(=O)NCC(F)(F)F ZINC000160673626 441907910 /nfs/dbraw/zinc/90/79/10/441907910.db2.gz YONOVBAVSKNSLL-GXFFZTMASA-N 0 0 337.342 1.002 10 70 EDIERN CCOCCO[C@H]1CCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000160870055 441930084 /nfs/dbraw/zinc/93/00/84/441930084.db2.gz VHIHTFRKGYJPAK-UONOGXRCSA-N 0 0 337.424 1.258 10 70 EDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2cc(C)nn2C)C1 ZINC000161286376 441981006 /nfs/dbraw/zinc/98/10/06/441981006.db2.gz RFDFRNSHHMDNBA-CYBMUJFWSA-N 0 0 331.424 1.158 10 70 EDIERN CCC(CC)[C@@H](O)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161468942 442003365 /nfs/dbraw/zinc/00/33/65/442003365.db2.gz URTWTHJBFNCBNQ-KGLIPLIRSA-N 0 0 337.468 1.813 10 70 EDIERN COc1ccc(C[C@@H](C)CNC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000159664330 533748146 /nfs/dbraw/zinc/74/81/46/533748146.db2.gz MASKWUZKTGDBPC-CVEARBPZSA-N 0 0 349.475 1.894 10 70 EDIERN CC1(O)CCN(S(=O)(=O)CCSc2ccc(N)cc2)CC1 ZINC000160352731 528042842 /nfs/dbraw/zinc/04/28/42/528042842.db2.gz WQXGNUHHKWVNNI-UHFFFAOYSA-N 0 0 330.475 1.538 10 70 EDIERN CCNc1cc(C)nc(Cn2c(C)ncc(Br)c2=O)n1 ZINC000159888054 528427941 /nfs/dbraw/zinc/42/79/41/528427941.db2.gz NIIYRBUDFNTXGM-UHFFFAOYSA-N 0 0 338.209 1.893 10 70 EDIERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000159957783 138638948 /nfs/dbraw/zinc/63/89/48/138638948.db2.gz AMPKJWIMAXJJSW-LBPRGKRZSA-N 0 0 345.451 1.568 10 70 EDIERN CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1noc3c1CCCC3)C2 ZINC000217845598 241278613 /nfs/dbraw/zinc/27/86/13/241278613.db2.gz UIASARGHWYJFSG-AWEZNQCLSA-N 0 0 330.388 1.849 10 70 EDIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cncc(OC(C)C)c1 ZINC000159789280 225278340 /nfs/dbraw/zinc/27/83/40/225278340.db2.gz LSCWVDHYHBUYLH-CQSZACIVSA-N 0 0 345.403 1.872 10 70 EDIERN CS(=O)(=O)c1cc(C(=O)N2CCN3CCCC[C@H]3C2)cs1 ZINC000161042931 441949706 /nfs/dbraw/zinc/94/97/06/441949706.db2.gz UYCQZJRMQWQTQN-LBPRGKRZSA-N 0 0 328.459 1.462 10 70 EDIERN CC(C)(C)c1nsc(NCC2(S(C)(=O)=O)CCOCC2)n1 ZINC000159586833 526906336 /nfs/dbraw/zinc/90/63/36/526906336.db2.gz MWFVAWGTZPLMIX-UHFFFAOYSA-N 0 0 333.479 1.841 10 70 EDIERN CCOCCC1(CNC(=O)N2CCC[C@H]2C(=O)NC)CCCC1 ZINC000159891218 540016297 /nfs/dbraw/zinc/01/62/97/540016297.db2.gz PWXOOWAZUWOGGK-AWEZNQCLSA-N 0 0 325.453 1.893 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000159987741 284308115 /nfs/dbraw/zinc/30/81/15/284308115.db2.gz MYJALBNUWPSCRS-HOTGVXAUSA-N 0 0 330.388 1.202 10 70 EDIERN COCCOc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000161163387 533258193 /nfs/dbraw/zinc/25/81/93/533258193.db2.gz DNCLFNSEZVJKLO-GFCCVEGCSA-N 0 0 349.366 1.579 10 70 EDIERN COc1cccc(C(C)(C)CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000160176283 533422810 /nfs/dbraw/zinc/42/28/10/533422810.db2.gz HCLASQDHUBNLPH-AWEZNQCLSA-N 0 0 343.431 1.879 10 70 EDIERN COC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1C ZINC000159915089 533651934 /nfs/dbraw/zinc/65/19/34/533651934.db2.gz ODKHUZGZXQLKMZ-ZDUSSCGKSA-N 0 0 346.387 1.156 10 70 EDIERN Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)cnn1-c1ccccc1 ZINC000160244102 225370144 /nfs/dbraw/zinc/37/01/44/225370144.db2.gz DIXLVGPWIXPBJR-LRDDRELGSA-N 0 0 342.399 1.803 10 70 EDIERN CCc1nnc([C@@H]2CN(c3nc(C(C)C)nc(N(C)C)n3)CCO2)[nH]1 ZINC000160605652 441900429 /nfs/dbraw/zinc/90/04/29/441900429.db2.gz JRXQGXSWOYGRMB-NSHDSACASA-N 0 0 346.439 1.319 10 70 EDIERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c(C)[nH]c(C(=O)OC)c1C)CC2 ZINC000160879356 441931131 /nfs/dbraw/zinc/93/11/31/441931131.db2.gz ADSDIMZRGMKQSK-NSHDSACASA-N 0 0 345.403 1.317 10 70 EDIERN COCCN(Cc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000160966221 441941694 /nfs/dbraw/zinc/94/16/94/441941694.db2.gz MQJPWBLUZRVEEO-HNNXBMFYSA-N 0 0 329.404 1.451 10 70 EDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000160975410 441942253 /nfs/dbraw/zinc/94/22/53/441942253.db2.gz CRSRIFLGCUVDPB-CYBMUJFWSA-N 0 0 345.403 1.680 10 70 EDIERN Cc1ccn2c(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)cnc2c1 ZINC000160991733 441943967 /nfs/dbraw/zinc/94/39/67/441943967.db2.gz SKCQMOJGIBJYHB-INIZCTEOSA-N 0 0 328.416 1.466 10 70 EDIERN COc1ccccc1CN(C(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000161090127 441955152 /nfs/dbraw/zinc/95/51/52/441955152.db2.gz HWADVPNGBANTPI-CQSZACIVSA-N 0 0 341.415 1.976 10 70 EDIERN CC(C)(C)OC(=O)NC[C@H]1CN(c2[nH]nc3cnccc32)CCO1 ZINC000217460874 443057354 /nfs/dbraw/zinc/05/73/54/443057354.db2.gz JRJRZZKLBQZKBQ-NSHDSACASA-N 0 0 333.392 1.688 10 70 EDIERN CC(C)NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)c[nH]1 ZINC000159850556 527717553 /nfs/dbraw/zinc/71/75/53/527717553.db2.gz HRYDPGTWFPWMMQ-LLVKDONJSA-N 0 0 344.209 1.143 10 70 EDIERN CNC(=O)[C@@H]1CCCN1C(=O)NCCOc1ccc(Cl)cn1 ZINC000159902484 529902355 /nfs/dbraw/zinc/90/23/55/529902355.db2.gz RGYYRODBOWRPBR-NSHDSACASA-N 0 0 326.784 1.034 10 70 EDIERN Cc1nc2c([nH]1)C[C@H](C(=O)N1CCN(c3ccccc3O)CC1)CC2 ZINC000161264469 540032336 /nfs/dbraw/zinc/03/23/36/540032336.db2.gz SLDGQFKRSBQONM-CQSZACIVSA-N 0 0 340.427 1.877 10 70 EDIERN COc1cc(NC(=O)C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)ncn1 ZINC000159441927 277828864 /nfs/dbraw/zinc/82/88/64/277828864.db2.gz NJLDCJVWEJDZNZ-BZNIZROVSA-N 0 0 340.383 1.782 10 70 EDIERN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cnc2c(c1)ncn2C ZINC000159758890 441835438 /nfs/dbraw/zinc/83/54/38/441835438.db2.gz UFGPCMLVEMZYJR-ZDUSSCGKSA-N 0 0 347.444 1.350 10 70 EDIERN O=C(Nc1cc2c(cc1Cl)OCCO2)N[C@H]1CCc2ncnn2C1 ZINC000160984968 441943925 /nfs/dbraw/zinc/94/39/25/441943925.db2.gz LLSRBGKBPDLARP-VIFPVBQESA-N 0 0 349.778 1.839 10 70 EDIERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000161014802 441946720 /nfs/dbraw/zinc/94/67/20/441946720.db2.gz OPQAHCUYKSOHNW-OAHLLOKOSA-N 0 0 342.403 1.615 10 70 EDIERN CCCC[C@H](COC)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000161067847 441952887 /nfs/dbraw/zinc/95/28/87/441952887.db2.gz HTMFVEOTARVYPC-OLZOCXBDSA-N 0 0 339.440 1.764 10 70 EDIERN Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000161380550 441992112 /nfs/dbraw/zinc/99/21/12/441992112.db2.gz PAPQUFFSVVUIPM-ZYHUDNBSSA-N 0 0 325.796 1.649 10 70 EDIERN CC1(O)CCN(S(=O)(=O)CCSc2cccc(N)c2)CC1 ZINC000160352880 528042620 /nfs/dbraw/zinc/04/26/20/528042620.db2.gz YSWIQOLGSUWBFX-UHFFFAOYSA-N 0 0 330.475 1.538 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1Cc1ccc(F)c(Br)c1 ZINC000160353153 528216732 /nfs/dbraw/zinc/21/67/32/528216732.db2.gz PAOCQFSCBSVYOW-ZDUSSCGKSA-N 0 0 345.212 1.925 10 70 EDIERN CNS(=O)(=O)c1ccc(NCCOCC(F)(F)F)cc1N ZINC000159628016 530030964 /nfs/dbraw/zinc/03/09/64/530030964.db2.gz SCIGVNOXJFKVFG-UHFFFAOYSA-N 0 0 327.328 1.168 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000159992471 533370673 /nfs/dbraw/zinc/37/06/73/533370673.db2.gz IRCDDRQQJYBQLI-IRXDYDNUSA-N 0 0 344.415 1.510 10 70 EDIERN Cc1cnn(Cc2cc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)no2)c1 ZINC000159753809 225272881 /nfs/dbraw/zinc/27/28/81/225272881.db2.gz TXVZZAOEECQMSM-RDTXWAMCSA-N 0 0 344.415 1.995 10 70 EDIERN NN[C@@H](c1sccc1Br)[C@@H]1CCCCS1(=O)=O ZINC000160130626 225345551 /nfs/dbraw/zinc/34/55/51/225345551.db2.gz ZIKRMBWKEYBQEK-DTWKUNHWSA-N 0 0 339.280 1.982 10 70 EDIERN COCCC1(CNC(=O)N2CCC(Nc3cccnn3)CC2)CC1 ZINC000161095029 225547223 /nfs/dbraw/zinc/54/72/23/225547223.db2.gz GYLKGZKBXYHUDU-UHFFFAOYSA-N 0 0 333.436 1.879 10 70 EDIERN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC1(C)CCOCC1)C(=O)C2 ZINC000161070385 281542821 /nfs/dbraw/zinc/54/28/21/281542821.db2.gz KXMPJKLTLBQOIJ-LRDDRELGSA-N 0 0 329.462 1.870 10 70 EDIERN Cn1cnc2cc(C(=O)N3CSC[C@@H]3C(=O)NC(C)(C)C)cnc21 ZINC000159767583 441837153 /nfs/dbraw/zinc/83/71/53/441837153.db2.gz YMEQMCOVFDDQHG-GFCCVEGCSA-N 0 0 347.444 1.398 10 70 EDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000160489402 441888535 /nfs/dbraw/zinc/88/85/35/441888535.db2.gz NWIQEHVCXRROED-ZDUSSCGKSA-N 0 0 331.376 1.581 10 70 EDIERN C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)c1ccc(CC(N)=S)cc1 ZINC000159440659 534172377 /nfs/dbraw/zinc/17/23/77/534172377.db2.gz MYKKVIRQKYQYDJ-GWCFXTLKSA-N 0 0 328.459 1.313 10 70 EDIERN NC(=S)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000160843249 534529677 /nfs/dbraw/zinc/52/96/77/534529677.db2.gz XWWPVPJUKJJYTN-SECBINFHSA-N 0 0 334.850 1.432 10 70 EDIERN CCCN(CC(F)(F)F)c1ccc(S(=O)(=O)NC)c(N)c1 ZINC000159603751 527930472 /nfs/dbraw/zinc/93/04/72/527930472.db2.gz KVDCGSMFEXZLAE-UHFFFAOYSA-N 0 0 325.356 1.956 10 70 EDIERN CCOCCC1(CNC(=O)N2CCC[C@@H]2C(=O)NC)CCCC1 ZINC000159891075 540016303 /nfs/dbraw/zinc/01/63/03/540016303.db2.gz PWXOOWAZUWOGGK-CQSZACIVSA-N 0 0 325.453 1.893 10 70 EDIERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159980423 287044834 /nfs/dbraw/zinc/04/48/34/287044834.db2.gz UESWCHHXYKZOFK-PWSUYJOCSA-N 0 0 326.418 1.343 10 70 EDIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1[nH]nc2ccccc21 ZINC000159958449 225309883 /nfs/dbraw/zinc/30/98/83/225309883.db2.gz BAUHMJDNOPNKBL-GFCCVEGCSA-N 0 0 326.360 1.566 10 70 EDIERN Cc1cnn(C[C@H]2CN(C(=O)c3cnc4c(c3)ncn4C)CCO2)c1 ZINC000160482458 225424826 /nfs/dbraw/zinc/42/48/26/225424826.db2.gz FPGJOKUPFGRLKJ-CQSZACIVSA-N 0 0 340.387 1.014 10 70 EDIERN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000160648186 225445006 /nfs/dbraw/zinc/44/50/06/225445006.db2.gz GDGILOWNQTWAPI-LLVKDONJSA-N 0 0 331.376 1.234 10 70 EDIERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160938376 225511333 /nfs/dbraw/zinc/51/13/33/225511333.db2.gz YEKDCBRQNIACIU-CYBMUJFWSA-N 0 0 342.403 1.425 10 70 EDIERN O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2ccccc2F)CC1 ZINC000161290956 225594603 /nfs/dbraw/zinc/59/46/03/225594603.db2.gz JPWKDZSIRZHNFC-ZDUSSCGKSA-N 0 0 344.394 1.264 10 70 EDIERN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159949409 289289635 /nfs/dbraw/zinc/28/96/35/289289635.db2.gz HQCUGQKJVJOVEZ-HNNXBMFYSA-N 0 0 338.473 1.195 10 70 EDIERN CC(=O)c1ccc(NC(=O)CN2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000161156170 534859897 /nfs/dbraw/zinc/85/98/97/534859897.db2.gz XZCMNHYRLIFTPB-HNNXBMFYSA-N 0 0 344.371 1.593 10 70 EDIERN CCNc1cc(C)nc(CN2CCSC[C@H]2S(C)(=O)=O)n1 ZINC000159846392 528427918 /nfs/dbraw/zinc/42/79/18/528427918.db2.gz FDARVFBJVXHQJZ-CYBMUJFWSA-N 0 0 330.479 1.136 10 70 EDIERN CC[C@@H]1CCN(CCS(=O)(=O)c2cccc(C(N)=S)c2)C1 ZINC000159905024 529326916 /nfs/dbraw/zinc/32/69/16/529326916.db2.gz UQZNOAYZKKZOJB-GFCCVEGCSA-N 0 0 326.487 1.826 10 70 EDIERN C[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccc(NC(N)=O)cc1 ZINC000161308896 533214152 /nfs/dbraw/zinc/21/41/52/533214152.db2.gz DHGRBNDTCSBQPB-MFKMUULPSA-N 0 0 343.391 1.144 10 70 EDIERN CO[C@]1(CNS(=O)(=O)c2cc(N)c(C)cc2Cl)CCOC1 ZINC000159912489 533382575 /nfs/dbraw/zinc/38/25/75/533382575.db2.gz XNDPGXRHNRQSTB-ZDUSSCGKSA-N 0 0 334.825 1.314 10 70 EDIERN C[C@@H](O)C1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000160869903 533580445 /nfs/dbraw/zinc/58/04/45/533580445.db2.gz ZUDKUABXALRLBM-SECBINFHSA-N 0 0 334.342 1.741 10 70 EDIERN Cc1cc(Br)ccc1-c1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000159821931 225285097 /nfs/dbraw/zinc/28/50/97/225285097.db2.gz QXVFYVGADPDFHW-UHFFFAOYSA-N 0 0 335.161 1.688 10 70 EDIERN Cc1cc(Cl)c(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1N ZINC000159843889 225288366 /nfs/dbraw/zinc/28/83/66/225288366.db2.gz YBDBMYYFWAZBKA-UHFFFAOYSA-N 0 0 333.841 1.424 10 70 EDIERN Cc1cc(C)c(NS(=O)(=O)C2CCS(=O)(=O)CC2)cc1N ZINC000159640080 225253342 /nfs/dbraw/zinc/25/33/42/225253342.db2.gz IBWQMJFPPPXGFW-UHFFFAOYSA-N 0 0 332.447 1.205 10 70 EDIERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)Cc1c(C)noc1C)CC2 ZINC000160068787 441857383 /nfs/dbraw/zinc/85/73/83/441857383.db2.gz CZXLTVKJLPJJTF-ZWNOBZJWSA-N 0 0 346.435 1.691 10 70 EDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCO[C@H](C3CC3)C1)CC2 ZINC000159718080 441832253 /nfs/dbraw/zinc/83/22/53/441832253.db2.gz ROJJPAUCAKHONR-ZNMIVQPWSA-N 0 0 347.463 1.973 10 70 EDIERN Cc1noc([C@@H]2COCCN2CCC(=O)OCc2ccccc2)n1 ZINC000161173510 441967685 /nfs/dbraw/zinc/96/76/85/441967685.db2.gz SYOXJMWJFVJJQU-HNNXBMFYSA-N 0 0 331.372 1.885 10 70 EDIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](CO)c1ccccc1)CC2 ZINC000161456173 442002225 /nfs/dbraw/zinc/00/22/25/442002225.db2.gz FNDJQZKZCWXJMB-GJZGRUSLSA-N 0 0 343.431 1.749 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000160111565 528216390 /nfs/dbraw/zinc/21/63/90/528216390.db2.gz QXFIKGNRTJOYPA-UWVGGRQHSA-N 0 0 330.837 1.810 10 70 EDIERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CCc1ncc(C)s1)CC2 ZINC000161277949 536162690 /nfs/dbraw/zinc/16/26/90/536162690.db2.gz AHFHBSAAUHVUOL-GFCCVEGCSA-N 0 0 348.476 1.804 10 70 EDIERN Cc1cc(Cl)c(N)cc1S(=O)(=O)NCC(=O)NC(C)(C)C ZINC000159846633 225287822 /nfs/dbraw/zinc/28/78/22/225287822.db2.gz SXHFBVSCWFWOSO-UHFFFAOYSA-N 0 0 333.841 1.424 10 70 EDIERN CC[C@@H](O)CN1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1 ZINC000160632410 441903033 /nfs/dbraw/zinc/90/30/33/441903033.db2.gz AQBPFOUPDIVAJS-LLVKDONJSA-N 0 0 332.326 1.024 10 70 EDIERN Cc1noc([C@H]2COCCN2CC(=O)NCc2sccc2C)n1 ZINC000160797700 441921853 /nfs/dbraw/zinc/92/18/53/441921853.db2.gz ATKOWJSRJULMQQ-GFCCVEGCSA-N 0 0 336.417 1.438 10 70 EDIERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000161081722 441953190 /nfs/dbraw/zinc/95/31/90/441953190.db2.gz RWDIPDDUSIOTIF-GXSJLCMTSA-N 0 0 326.422 1.688 10 70 EDIERN CCC[C@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC000161459323 442002330 /nfs/dbraw/zinc/00/23/30/442002330.db2.gz WDJWEQMOAQCTCE-MRXNPFEDSA-N 0 0 335.423 1.840 10 70 EDIERN CCC[C@H](NC(=O)c1c(C)nn(C)c1OC)C(=O)OC(C)(C)C ZINC000161449843 442001120 /nfs/dbraw/zinc/00/11/20/442001120.db2.gz CBOAMZSMUYFOJL-NSHDSACASA-N 0 0 325.409 1.977 10 70 EDIERN O=C(NC[C@@H](O)c1ccc(Cl)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000161272818 534540047 /nfs/dbraw/zinc/54/00/47/534540047.db2.gz HGEAKHSGKZZDGB-CHWSQXEVSA-N 0 0 335.795 1.279 10 70 EDIERN CCNC(=O)[C@H]1COCCN1Cc1cc(F)cc(Br)c1 ZINC000160352687 528222906 /nfs/dbraw/zinc/22/29/06/528222906.db2.gz LBWCMGNAMWOZCH-CYBMUJFWSA-N 0 0 345.212 1.925 10 70 EDIERN CNC(=O)[C@H]1COCCN1C(=O)c1ccc(F)cc1Br ZINC000159835323 529928993 /nfs/dbraw/zinc/92/89/93/529928993.db2.gz ZNJQJGYSXJBJAA-LLVKDONJSA-N 0 0 345.168 1.175 10 70 EDIERN NC(=O)N1CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159793042 283298980 /nfs/dbraw/zinc/29/89/80/283298980.db2.gz OTRVMXJBPIDXIZ-AWEZNQCLSA-N 0 0 336.823 1.919 10 70 EDIERN CO[C@@]1(CNS(=O)(=O)c2cc(N)c(C)cc2Cl)CCOC1 ZINC000159912351 533035141 /nfs/dbraw/zinc/03/51/41/533035141.db2.gz XNDPGXRHNRQSTB-CYBMUJFWSA-N 0 0 334.825 1.314 10 70 EDIERN CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@H]1C[C@H]1C ZINC000160021770 533065772 /nfs/dbraw/zinc/06/57/72/533065772.db2.gz HZWQLUXHLVMTHV-NXEZZACHSA-N 0 0 332.447 1.066 10 70 EDIERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(-c2ccco2)on1 ZINC000159960556 533285297 /nfs/dbraw/zinc/28/52/97/533285297.db2.gz LUYVISVCDIXYSE-JTQLQIEISA-N 0 0 343.343 1.937 10 70 EDIERN C[C@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1Cl ZINC000159712890 225263717 /nfs/dbraw/zinc/26/37/17/225263717.db2.gz UJLSJZIOGSSCKM-ZBEGNZNMSA-N 0 0 349.822 1.453 10 70 EDIERN O=C(Nc1nnc(-c2ccsc2)s1)N[C@H]1CCc2ncnn2C1 ZINC000161162529 225562231 /nfs/dbraw/zinc/56/22/31/225562231.db2.gz ZPHCJXWUOUGUKH-VIFPVBQESA-N 0 0 347.429 1.995 10 70 EDIERN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)[nH]n2)cc1 ZINC000160319613 441872432 /nfs/dbraw/zinc/87/24/32/441872432.db2.gz BBCOQNYTTIWIJI-MRXNPFEDSA-N 0 0 342.399 1.778 10 70 EDIERN CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000160924251 441936923 /nfs/dbraw/zinc/93/69/23/441936923.db2.gz JOTAJBWTAVQSIH-CQSZACIVSA-N 0 0 342.403 1.554 10 70 EDIERN COC(=O)c1[nH]c(C)c(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1C ZINC000160932557 441937696 /nfs/dbraw/zinc/93/76/96/441937696.db2.gz CZYOCKYXWPQWPJ-LBPRGKRZSA-N 0 0 330.388 1.781 10 70 EDIERN Cc1ccc([C@H](C)NS(=O)(=O)N2CCC3(CC2)OCCO3)o1 ZINC000160179585 534227490 /nfs/dbraw/zinc/22/74/90/534227490.db2.gz JVNOIRHFYYWDEE-LBPRGKRZSA-N 0 0 330.406 1.322 10 70 EDIERN COC(=O)[C@@H](NCCn1cc(C)cn1)c1cc(OC)cc(OC)c1 ZINC000159605689 534278607 /nfs/dbraw/zinc/27/86/07/534278607.db2.gz NAQNLQDWEKNKHP-INIZCTEOSA-N 0 0 333.388 1.713 10 70 EDIERN O=C(c1cc(Cl)nnc1Cl)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160650494 534661867 /nfs/dbraw/zinc/66/18/67/534661867.db2.gz QXAIDUCMHVBFRP-APPZFPTMSA-N 0 0 329.187 1.524 10 70 EDIERN Nc1cccc(-c2nnnn2C[C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000161386162 534738306 /nfs/dbraw/zinc/73/83/06/534738306.db2.gz QNRMWCFCYMPVPC-QMMMGPOBSA-N 0 0 327.797 1.010 10 70 EDIERN CCOC(C)(C)CNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000159686109 528427376 /nfs/dbraw/zinc/42/73/76/528427376.db2.gz IVESHTSLCAAPIB-UHFFFAOYSA-N 0 0 334.825 1.532 10 70 EDIERN CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(C)cc1Br ZINC000159833601 529910873 /nfs/dbraw/zinc/91/08/73/529910873.db2.gz JEQSTMYPTJLDAF-LBPRGKRZSA-N 0 0 341.205 1.345 10 70 EDIERN Cc1nc2c([nH]1)C[C@@H](C(=O)N1CCN(c3ccccc3O)CC1)CC2 ZINC000161264601 540032272 /nfs/dbraw/zinc/03/22/72/540032272.db2.gz SLDGQFKRSBQONM-AWEZNQCLSA-N 0 0 340.427 1.877 10 70 EDIERN O=C(NCCn1ncc2ccccc2c1=O)c1noc2c1CCCC2 ZINC000218761678 241344168 /nfs/dbraw/zinc/34/41/68/241344168.db2.gz BVQNZUPOXYBMTD-UHFFFAOYSA-N 0 0 338.367 1.693 10 70 EDIERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)Cc1c(C)noc1C)CC2 ZINC000160068665 441857885 /nfs/dbraw/zinc/85/78/85/441857885.db2.gz CZXLTVKJLPJJTF-GWCFXTLKSA-N 0 0 346.435 1.691 10 70 EDIERN C[C@H](NC(=O)NCc1cccnc1N(C)C)c1nnc2n1CCCC2 ZINC000160246544 441867523 /nfs/dbraw/zinc/86/75/23/441867523.db2.gz JHRTUODBORVEDL-LBPRGKRZSA-N 0 0 343.435 1.636 10 70 EDIERN CN(C)C(=O)C1(CNC(=O)N2CCC(c3cc[nH]n3)CC2)CCCC1 ZINC000159901452 441846285 /nfs/dbraw/zinc/84/62/85/441846285.db2.gz HCGULMVHZFIBTF-UHFFFAOYSA-N 0 0 347.463 1.947 10 70 EDIERN CN(CCCOc1ccc(F)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160916951 441935148 /nfs/dbraw/zinc/93/51/48/441935148.db2.gz SRNMNYGMOYJDNR-CQSZACIVSA-N 0 0 347.394 1.843 10 70 EDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000160956969 441940582 /nfs/dbraw/zinc/94/05/82/441940582.db2.gz WBRMODAFFWZJEV-CYBMUJFWSA-N 0 0 345.403 1.853 10 70 EDIERN CCNC(=O)[C@H]1COCCN1Cc1cccc(F)c1Br ZINC000160353551 528224230 /nfs/dbraw/zinc/22/42/30/528224230.db2.gz NPKJQKALIGJJDP-GFCCVEGCSA-N 0 0 345.212 1.925 10 70 EDIERN CCC[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)OC(C)(C)C ZINC000161378270 528970031 /nfs/dbraw/zinc/97/00/31/528970031.db2.gz JEOXRWMMRNDIMY-GFCCVEGCSA-N 0 0 337.420 1.846 10 70 EDIERN CN(CCOc1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161288263 529925052 /nfs/dbraw/zinc/92/50/52/529925052.db2.gz CCZAUIDOHOBOHP-ZDUSSCGKSA-N 0 0 349.822 1.967 10 70 EDIERN CNC(=O)[C@H]1COCCN1Cc1cc(OC)ccc1Br ZINC000160355845 529928991 /nfs/dbraw/zinc/92/89/91/529928991.db2.gz IWVSDCZBIMDWRW-CYBMUJFWSA-N 0 0 343.221 1.405 10 70 EDIERN CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159836274 530014304 /nfs/dbraw/zinc/01/43/04/530014304.db2.gz QNLXNDQSAJKHLW-GFCCVEGCSA-N 0 0 328.434 1.448 10 70 EDIERN CN1C(=O)C[C@@H](C(=O)NCCn2cccn2)[C@H]1c1ccc(F)cc1 ZINC000159732756 530044368 /nfs/dbraw/zinc/04/43/68/530044368.db2.gz BQWLBMOEQDILFP-GDBMZVCRSA-N 0 0 330.363 1.358 10 70 EDIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([S@@](C)=O)cc1 ZINC000159945325 225307534 /nfs/dbraw/zinc/30/75/34/225307534.db2.gz FETNWOBRHKDUQI-OZAJXLCCSA-N 0 0 348.428 1.427 10 70 EDIERN Cn1cnc2cc(C(=O)N3CCN(Cc4cccs4)CC3)cnc21 ZINC000160018691 225321787 /nfs/dbraw/zinc/32/17/87/225321787.db2.gz LLLVMPXZGMJTDZ-UHFFFAOYSA-N 0 0 341.440 1.988 10 70 EDIERN Cn1cnc2cc(C(=O)N3CSC[C@H]3C(=O)N3CCCC3)cnc21 ZINC000159759353 441835503 /nfs/dbraw/zinc/83/55/03/441835503.db2.gz UFWDNECNHVWGRM-ZDUSSCGKSA-N 0 0 345.428 1.106 10 70 EDIERN CN(C)C(=O)C1(CNC(=O)c2cnc3c(c2)ncn3C)CCCC1 ZINC000159842268 441840880 /nfs/dbraw/zinc/84/08/80/441840880.db2.gz VTWKWPBWEMVHEZ-UHFFFAOYSA-N 0 0 329.404 1.347 10 70 EDIERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161383469 441993611 /nfs/dbraw/zinc/99/36/11/441993611.db2.gz NDEBDZVBLRMBFC-CVEARBPZSA-N 0 0 346.431 1.644 10 70 EDIERN CCn1cnnc1[C@H]1CCCN(CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000161327143 441986031 /nfs/dbraw/zinc/98/60/31/441986031.db2.gz ZTCNZMXXQCSJRG-LBPRGKRZSA-N 0 0 336.440 1.102 10 70 EDIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)C1CCCCC1)CC2 ZINC000161472147 442002847 /nfs/dbraw/zinc/00/28/47/442002847.db2.gz POZKWRWBAXDROP-GJZGRUSLSA-N 0 0 349.479 1.957 10 70 EDIERN C[C@@H](CNC(=O)NC[C@@](C)(O)c1ccc(F)cc1)N1CCOCC1 ZINC000159660544 533965822 /nfs/dbraw/zinc/96/58/22/533965822.db2.gz PZSDFJOTAVNPIJ-SUMWQHHRSA-N 0 0 339.411 1.053 10 70 EDIERN CC[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)C1 ZINC000159476206 529239714 /nfs/dbraw/zinc/23/97/14/529239714.db2.gz GWPDCDVTVBIAGP-JTQLQIEISA-N 0 0 335.422 1.650 10 70 EDIERN CNC(=O)[C@@H]1COCCN1c1ccc([C@@H](C)O)cc1Br ZINC000160080012 529910926 /nfs/dbraw/zinc/91/09/26/529910926.db2.gz ZGSJOCJUCYYPEF-RNCFNFMXSA-N 0 0 343.221 1.454 10 70 EDIERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1O)C(C)C ZINC000161119400 441959120 /nfs/dbraw/zinc/95/91/20/441959120.db2.gz WCBUWFBAYSLDJO-DZKIICNBSA-N 0 0 334.416 1.479 10 70 EDIERN CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161479683 442004354 /nfs/dbraw/zinc/00/43/54/442004354.db2.gz OSPBYJOLKULGPN-ABAIWWIYSA-N 0 0 341.481 1.130 10 70 EDIERN C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2N)C1 ZINC000161495780 533845696 /nfs/dbraw/zinc/84/56/96/533845696.db2.gz JRXCJKYEDBRLEY-BDAKNGLRSA-N 0 0 349.250 1.423 10 70 EDIERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC[C@H](O)COC ZINC000160983885 206322376 /nfs/dbraw/zinc/32/23/76/206322376.db2.gz SKAOXNODZDCQPE-CWRNSKLLSA-N 0 0 336.432 1.345 10 70 EDIERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000161081367 206326202 /nfs/dbraw/zinc/32/62/02/206326202.db2.gz RWDIPDDUSIOTIF-KOLCDFICSA-N 0 0 326.422 1.688 10 70 EDIERN CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161180477 206332631 /nfs/dbraw/zinc/33/26/31/206332631.db2.gz JHIWLSAKDCCVFQ-ZDUSSCGKSA-N 0 0 343.387 1.553 10 70 EDIERN O=C(NC[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCc2ncnn2C1 ZINC000161273205 206339397 /nfs/dbraw/zinc/33/93/97/206339397.db2.gz HGEAKHSGKZZDGB-STQMWFEESA-N 0 0 335.795 1.279 10 70 EDIERN Nc1cc(S(=O)(=O)NCC2(CO)CCCC2)c(Cl)cc1F ZINC000160034253 225325018 /nfs/dbraw/zinc/32/50/18/225325018.db2.gz IRVSIUPMNMRPCZ-UHFFFAOYSA-N 0 0 336.816 1.892 10 70 EDIERN N#Cc1cc(I)nc(S(=O)(=O)Cl)c1 ZINC000103604934 269954393 /nfs/dbraw/zinc/95/43/93/269954393.db2.gz RGMROEQQLYOJMG-UHFFFAOYSA-N 0 0 328.518 1.485 10 70 EDIERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159877995 441844561 /nfs/dbraw/zinc/84/45/61/441844561.db2.gz MQIJXPXXTUGPJR-CJNGLKHVSA-N 0 0 341.415 1.853 10 70 EDIERN CC(C)[C@H](O)CC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000161207676 441972521 /nfs/dbraw/zinc/97/25/21/441972521.db2.gz IQBPWFOEFFFDDC-MRXNPFEDSA-N 0 0 332.400 1.935 10 70 EDIERN Cc1cc(CN(C)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)no1 ZINC000161452875 442001928 /nfs/dbraw/zinc/00/19/28/442001928.db2.gz IIRQZWYORVBOPH-LBPRGKRZSA-N 0 0 332.408 1.854 10 70 EDIERN CSc1nccc(-c2cc(C(=O)NO[C@H]3CCCCO3)[nH]n2)n1 ZINC000216709358 485818209 /nfs/dbraw/zinc/81/82/09/485818209.db2.gz IIGICFJPZPXIMJ-LBPRGKRZSA-N 0 0 335.389 1.777 10 70 EDIERN CO[C@]1(CNS(=O)(=O)c2cc(N)c(Cl)cc2C)CCOC1 ZINC000159913074 201410847 /nfs/dbraw/zinc/41/08/47/201410847.db2.gz JOLGFQATQLGVJY-ZDUSSCGKSA-N 0 0 334.825 1.314 10 70 EDIERN CC(C)OCCNC(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl ZINC000161477648 205612018 /nfs/dbraw/zinc/61/20/18/205612018.db2.gz YSDMALCVWOVAQK-UHFFFAOYSA-N 0 0 338.788 1.281 10 70 EDIERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159916845 206270455 /nfs/dbraw/zinc/27/04/55/206270455.db2.gz HUAJUCCGBCIDEH-LBPRGKRZSA-N 0 0 342.465 1.132 10 70 EDIERN Cc1ccccc1OCCN(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161340551 206342259 /nfs/dbraw/zinc/34/22/59/206342259.db2.gz XVDQSVYLKREUSZ-CQSZACIVSA-N 0 0 329.404 1.622 10 70 EDIERN O=C(CCC(=O)NC1CCCC1)Nc1ccc(N2CCOCC2)nc1 ZINC000161318953 225601742 /nfs/dbraw/zinc/60/17/42/225601742.db2.gz YLTSUEYQSUXMRY-UHFFFAOYSA-N 0 0 346.431 1.696 10 70 EDIERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)Cc1c(C)noc1C)CC2 ZINC000160068516 441857409 /nfs/dbraw/zinc/85/74/09/441857409.db2.gz CZXLTVKJLPJJTF-GXFFZTMASA-N 0 0 346.435 1.691 10 70 EDIERN O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1noc2c1CCCC2 ZINC000218345104 443057814 /nfs/dbraw/zinc/05/78/14/443057814.db2.gz YXAMYEPSQPAYAP-UKRRQHHQSA-N 0 0 343.383 1.915 10 70 EDIERN CCOc1ccccc1NC(=O)CN1CCOC[C@H]1c1nc(C)no1 ZINC000160913701 535524528 /nfs/dbraw/zinc/52/45/28/535524528.db2.gz FYSOQIGNESLWCW-AWEZNQCLSA-N 0 0 346.387 1.789 10 70 EDIERN CCCn1cc(Br)cc1C(=O)NCCNC(=O)N(C)C ZINC000160898596 201414634 /nfs/dbraw/zinc/41/46/34/201414634.db2.gz CIUSTTLDOGKRFD-UHFFFAOYSA-N 0 0 345.241 1.662 10 70 EDIERN CC[C@H](CNC(=O)N1CCC[C@H]1C(=O)NC)Oc1cccc(F)c1 ZINC000159645552 206256636 /nfs/dbraw/zinc/25/66/36/206256636.db2.gz ZYVRNSQDFNRMIU-HIFRSBDPSA-N 0 0 337.395 1.903 10 70 EDIERN CCCOc1cccc(CCNC(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000160117806 206281004 /nfs/dbraw/zinc/28/10/04/206281004.db2.gz DMCJAUYZWXFFOZ-INIZCTEOSA-N 0 0 333.432 1.938 10 70 EDIERN C[C@H](C[C@H](O)c1ccccc1)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000160226746 206284829 /nfs/dbraw/zinc/28/48/29/206284829.db2.gz HUFJBJFWNXHZMB-INMHGKMJSA-N 0 0 335.448 1.519 10 70 EDIERN COc1ccccc1NC(=O)CN1CCOC[C@H]1c1nc(C)no1 ZINC000161211115 441972383 /nfs/dbraw/zinc/97/23/83/441972383.db2.gz KCDALBIFEGRXCO-ZDUSSCGKSA-N 0 0 332.360 1.399 10 70 EDIERN Cc1cc(CN(C)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)no1 ZINC000161452736 442002340 /nfs/dbraw/zinc/00/23/40/442002340.db2.gz IIRQZWYORVBOPH-GFCCVEGCSA-N 0 0 332.408 1.854 10 70 EDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2ccccc2F)C1 ZINC000161302495 441982854 /nfs/dbraw/zinc/98/28/54/441982854.db2.gz NFMVWHFINMJYEG-OAHLLOKOSA-N 0 0 345.422 1.933 10 70 EDIERN CC1(O)CCN(S(=O)(=O)c2cc(C(N)=S)ccc2Cl)CC1 ZINC000160753952 202028552 /nfs/dbraw/zinc/02/85/52/202028552.db2.gz WMFRJEVNWPWFEH-UHFFFAOYSA-N 0 0 348.877 1.510 10 70 EDIERN CN(CCN(C)c1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161303477 138642931 /nfs/dbraw/zinc/64/29/31/138642931.db2.gz RHHBDZGYNDWIDI-CQSZACIVSA-N 0 0 328.420 1.371 10 70 EDIERN CNS(=O)(=O)c1ccc(OCC(F)(F)C(F)(F)F)cc1N ZINC000159673647 201409532 /nfs/dbraw/zinc/40/95/32/201409532.db2.gz SEEKYCXXQDSALO-UHFFFAOYSA-N 0 0 334.266 1.753 10 70 EDIERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161056179 206325646 /nfs/dbraw/zinc/32/56/46/206325646.db2.gz CXOHAYQOYOXQHK-CQSZACIVSA-N 0 0 342.403 1.567 10 70 EDIERN Cn1cnc2cc(C(=O)N3CCN(c4cccs4)CC3)cnc21 ZINC000160793249 441921314 /nfs/dbraw/zinc/92/13/14/441921314.db2.gz MTZHBFAXNWNJOF-UHFFFAOYSA-N 0 0 327.413 1.992 10 70 EDIERN CCc1n[nH]c(=O)c(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1CC ZINC000161443769 138643271 /nfs/dbraw/zinc/64/32/71/138643271.db2.gz UBUKOVYKDCGYDX-ZDUSSCGKSA-N 0 0 342.399 1.583 10 70 EDIERN CNC(=O)[C@H]1COCCN1CCOc1ccc(Br)cc1 ZINC000160354964 201412227 /nfs/dbraw/zinc/41/22/27/201412227.db2.gz VGQYSAYHEYBDJV-CYBMUJFWSA-N 0 0 343.221 1.275 10 70 EDIERN CN1C(=O)C[C@H](C(=O)NCCn2cccn2)[C@@H]1c1ccc(F)cc1 ZINC000159733131 206261227 /nfs/dbraw/zinc/26/12/27/206261227.db2.gz BQWLBMOEQDILFP-HOCLYGCPSA-N 0 0 330.363 1.358 10 70 EDIERN CCCNC(=O)c1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000160924389 206317865 /nfs/dbraw/zinc/31/78/65/206317865.db2.gz JOTAJBWTAVQSIH-AWEZNQCLSA-N 0 0 342.403 1.554 10 70 EDIERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(F)c1)CC2 ZINC000159361896 441806969 /nfs/dbraw/zinc/80/69/69/441806969.db2.gz DOCAMLDUDFHYGL-GFCCVEGCSA-N 0 0 338.408 1.834 10 70 EDIERN CCc1oc(C(=O)OC)cc1CN1CCOC[C@H]1c1nc(C)no1 ZINC000161205623 441972847 /nfs/dbraw/zinc/97/28/47/441972847.db2.gz RNTKTCWLQXPCLR-LBPRGKRZSA-N 0 0 335.360 1.894 10 70 EDIERN COCCN(CCOC)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161378931 441992247 /nfs/dbraw/zinc/99/22/47/441992247.db2.gz FRCZKKMEABDOGM-CYBMUJFWSA-N 0 0 339.440 1.021 10 70 EDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2ccccc2)C1 ZINC000161316843 441984369 /nfs/dbraw/zinc/98/43/69/441984369.db2.gz NUMZOFBLLHJMOZ-MRXNPFEDSA-N 0 0 327.432 1.794 10 70 EDIERN CC1CCC([NH+]2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)CC1 ZINC000161353258 441990129 /nfs/dbraw/zinc/99/01/29/441990129.db2.gz HLIYKGQIDZTBOB-HWOWSKLDSA-N 0 0 346.479 1.499 10 70 EDIERN NC(=S)c1ccc(Cl)c(S(=O)(=O)N2CCC(CO)CC2)c1 ZINC000160846940 201413963 /nfs/dbraw/zinc/41/39/63/201413963.db2.gz STGHFMKCGXYWGS-UHFFFAOYSA-N 0 0 348.877 1.367 10 70 EDIERN O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CCc2ncnn2C1 ZINC000160970900 441942455 /nfs/dbraw/zinc/94/24/55/441942455.db2.gz OKXIWFQOMGZQMS-RXMQYKEDSA-N 0 0 333.299 1.285 10 70 EDIERN Cc1c(C(F)(F)F)cccc1S(=O)(=O)N[C@@H](C)C(N)=S ZINC000160901898 201414590 /nfs/dbraw/zinc/41/45/90/201414590.db2.gz BUAMOKYDUWYABM-ZETCQYMHSA-N 0 0 326.365 1.967 10 70 EDIERN NC(=O)c1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000159652213 206257888 /nfs/dbraw/zinc/25/78/88/206257888.db2.gz PBVMJOOOWMDALZ-CRAIPNDOSA-N 0 0 331.416 1.622 10 70 EDIERN CNC(=O)COc1cccc(CC(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000159958240 206273609 /nfs/dbraw/zinc/27/36/09/206273609.db2.gz WUWDQBPHDXDJCH-GDBMZVCRSA-N 0 0 334.416 1.021 10 70 EDIERN Cn1cc([C@H]2[C@H](C(=O)NCCC3=CCCC3)CCC(=O)N2C)cn1 ZINC000160293040 206287419 /nfs/dbraw/zinc/28/74/19/206287419.db2.gz NHNPXONSDYMPHI-WBVHZDCISA-N 0 0 330.432 1.946 10 70 EDIERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](COC)C2CC2)ncn1 ZINC000160510746 206302252 /nfs/dbraw/zinc/30/22/52/206302252.db2.gz HAGAWPIUYGBTRF-KBPBESRZSA-N 0 0 348.451 1.211 10 70 EDIERN CCn1cnnc1[C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1 ZINC000161301942 441983384 /nfs/dbraw/zinc/98/33/84/441983384.db2.gz UBXQRTMBGUUGAT-CQSZACIVSA-N 0 0 338.419 1.653 10 70 EDIERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000159506661 540010302 /nfs/dbraw/zinc/01/03/02/540010302.db2.gz GUCMOBMEWGXEPV-KGLIPLIRSA-N 0 0 343.435 1.874 10 70 EDIERN Cc1noc([C@H]2COCCN2C[C@@H](O)COCc2ccccc2)n1 ZINC000160855772 138641567 /nfs/dbraw/zinc/64/15/67/138641567.db2.gz QRIJPCGLFVFHMM-HZPDHXFCSA-N 0 0 333.388 1.329 10 70 EDIERN Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)cnn1-c1ccccc1 ZINC000160244377 206286148 /nfs/dbraw/zinc/28/61/48/206286148.db2.gz DIXLVGPWIXPBJR-BLLLJJGKSA-N 0 0 342.399 1.803 10 70 EDIERN O=C(NCCCCNc1ccccn1)N[C@H]1CCc2ncnn2C1 ZINC000161013358 206323706 /nfs/dbraw/zinc/32/37/06/206323706.db2.gz WXYRIKANYLZCDK-ZDUSSCGKSA-N 0 0 329.408 1.179 10 70 EDIERN Cc1cccc(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)c1 ZINC000161043870 206325236 /nfs/dbraw/zinc/32/52/36/206325236.db2.gz KUIWLOQUZUFARP-OAHLLOKOSA-N 0 0 340.431 1.433 10 70 EDIERN COc1ccc(CCCN(C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161085019 206326244 /nfs/dbraw/zinc/32/62/44/206326244.db2.gz DXRFGFWFCWJYFX-OAHLLOKOSA-N 0 0 343.431 1.876 10 70 EDIERN C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccc(NC(N)=O)cc1 ZINC000161308790 206340418 /nfs/dbraw/zinc/34/04/18/206340418.db2.gz DHGRBNDTCSBQPB-GWCFXTLKSA-N 0 0 343.391 1.144 10 70 EDIERN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCn2nc([C@@H](C)O)cc2C1 ZINC000216906420 241220029 /nfs/dbraw/zinc/22/00/29/241220029.db2.gz BFJLNAKWLDZMAF-GFCCVEGCSA-N 0 0 345.403 1.024 10 70 EDIERN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)C1CC1 ZINC000159843915 225288189 /nfs/dbraw/zinc/28/81/89/225288189.db2.gz DOYLBWXKSJIKKB-NSHDSACASA-N 0 0 332.404 1.080 10 70 EDIERN C[C@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)N1CCOCC1 ZINC000159649261 225255245 /nfs/dbraw/zinc/25/52/45/225255245.db2.gz UHKXWUZCVVHRPQ-LLVKDONJSA-N 0 0 333.363 1.118 10 70 EDIERN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc(N)c2Cl)C1 ZINC000160271269 225376527 /nfs/dbraw/zinc/37/65/27/225376527.db2.gz CWXLUEBGGLEHEB-VIFPVBQESA-N 0 0 331.825 1.076 10 70 EDIERN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1cnc2c(c1)ncn2C ZINC000159759036 279348915 /nfs/dbraw/zinc/34/89/15/279348915.db2.gz UFGPCMLVEMZYJR-CYBMUJFWSA-N 0 0 347.444 1.350 10 70 EDIERN CC(C)Oc1cc(CNC(=O)N[C@@H]2CCCn3ncnc32)ccn1 ZINC000159538638 441819516 /nfs/dbraw/zinc/81/95/16/441819516.db2.gz WSDVAFCANKPEQQ-CYBMUJFWSA-N 0 0 330.392 1.795 10 70 EDIERN O=C(N[C@H]1CCCn2ncnc21)N1CCN(Cc2ccccn2)CC1 ZINC000160622779 441903252 /nfs/dbraw/zinc/90/32/52/441903252.db2.gz ORFYFBLUAOVDNH-HNNXBMFYSA-N 0 0 341.419 1.035 10 70 EDIERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCC1(CCOC)CC1 ZINC000161065720 441951998 /nfs/dbraw/zinc/95/19/98/441951998.db2.gz CFTYHAKDWCVQBC-AWEZNQCLSA-N 0 0 325.453 1.846 10 70 EDIERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cccc(N(C)C)n1)CC2 ZINC000161278167 441979983 /nfs/dbraw/zinc/97/99/83/441979983.db2.gz RDDCZQAKQPHHGY-CYBMUJFWSA-N 0 0 343.435 1.116 10 70 EDIERN CC(C)(Cn1nnnc1-c1cccc(N)c1Cl)S(C)(=O)=O ZINC000161396556 527238309 /nfs/dbraw/zinc/23/83/09/527238309.db2.gz QHMZCWBBCGGNMS-UHFFFAOYSA-N 0 0 329.813 1.399 10 70 EDIERN CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(F)cc1Br ZINC000159835184 529911082 /nfs/dbraw/zinc/91/10/82/529911082.db2.gz ZNJQJGYSXJBJAA-NSHDSACASA-N 0 0 345.168 1.175 10 70 EDIERN CO[C@@]1(CNS(=O)(=O)c2cc(C)c(Cl)c(N)c2)CCOC1 ZINC000159899075 533035329 /nfs/dbraw/zinc/03/53/29/533035329.db2.gz SNFALYGKYNBFRT-CYBMUJFWSA-N 0 0 334.825 1.314 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000159992592 533371634 /nfs/dbraw/zinc/37/16/34/533371634.db2.gz IRCDDRQQJYBQLI-SJORKVTESA-N 0 0 344.415 1.510 10 70 EDIERN C[C@H]1OCC[C@H]1N(C)S(=O)(=O)Cc1ccccc1C(N)=S ZINC000159443024 225218527 /nfs/dbraw/zinc/21/85/27/225218527.db2.gz BRPNUVVGWDVFAK-ZWNOBZJWSA-N 0 0 328.459 1.260 10 70 EDIERN Cc1cc(Br)cc(CO)c1OC[C@@H]1CN(C)CCO1 ZINC000160840041 225487325 /nfs/dbraw/zinc/48/73/25/225487325.db2.gz QYZKQGMJZJWBRI-ZDUSSCGKSA-N 0 0 330.222 1.959 10 70 EDIERN COCCCOc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161317423 225601758 /nfs/dbraw/zinc/60/17/58/225601758.db2.gz PGXWPLKSPSVVTA-CYBMUJFWSA-N 0 0 345.403 1.830 10 70 EDIERN CN(CCOc1ccccc1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000160945471 441939617 /nfs/dbraw/zinc/93/96/17/441939617.db2.gz RQAAUUNTOXCHRR-LBPRGKRZSA-N 0 0 333.367 1.452 10 70 EDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N(C)CC(F)(F)F)C1 ZINC000161346286 441989024 /nfs/dbraw/zinc/98/90/24/441989024.db2.gz KUCQKDRRQORNBF-LLVKDONJSA-N 0 0 333.358 1.498 10 70 EDIERN COc1ccccc1NC(=O)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000161211234 318424076 /nfs/dbraw/zinc/42/40/76/318424076.db2.gz KCDALBIFEGRXCO-CYBMUJFWSA-N 0 0 332.360 1.399 10 70 EDIERN COc1ccc(C[C@H](C)CNC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000159664189 533783089 /nfs/dbraw/zinc/78/30/89/533783089.db2.gz MASKWUZKTGDBPC-HOTGVXAUSA-N 0 0 349.475 1.894 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1C(=O)c1nc(Cl)ccc1Cl ZINC000159501009 528214651 /nfs/dbraw/zinc/21/46/51/528214651.db2.gz KBBLGPBEAVBHNF-VIFPVBQESA-N 0 0 332.187 1.366 10 70 EDIERN CCNC(=O)[C@@H]1COCCN1c1ccc(Cl)cc1C(N)=S ZINC000159792389 528216308 /nfs/dbraw/zinc/21/63/08/528216308.db2.gz FZHWBJNGUZQYSA-LBPRGKRZSA-N 0 0 327.837 1.316 10 70 EDIERN CCNC(=O)[C@H]1COCCN1c1cc(Cl)ccc1C(N)=S ZINC000159790112 528223855 /nfs/dbraw/zinc/22/38/55/528223855.db2.gz QABUPONDTKEOLD-GFCCVEGCSA-N 0 0 327.837 1.316 10 70 EDIERN CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)cc1F ZINC000159833152 529911127 /nfs/dbraw/zinc/91/11/27/529911127.db2.gz OGIMSVRFJAEYRF-NSHDSACASA-N 0 0 345.168 1.175 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000159941605 533371647 /nfs/dbraw/zinc/37/16/47/533371647.db2.gz QEKAVRKEXPXQIU-DOMZBBRYSA-N 0 0 345.403 1.366 10 70 EDIERN COc1c(C(=O)NC[C@@H]2C[C@H]2C)cc(Cl)cc1S(N)(=O)=O ZINC000160343610 533389946 /nfs/dbraw/zinc/38/99/46/533389946.db2.gz MCWCIVFKMWHQIA-SFYZADRCSA-N 0 0 332.809 1.382 10 70 EDIERN COc1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cc1Cl ZINC000159896176 441846438 /nfs/dbraw/zinc/84/64/38/441846438.db2.gz QNHLGIRXEBPJGO-LBPRGKRZSA-N 0 0 341.839 1.869 10 70 EDIERN Cn1cc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c(C(F)(F)F)n1 ZINC000160858190 441928685 /nfs/dbraw/zinc/92/86/85/441928685.db2.gz ZWRRALXMKKJDRW-KOLCDFICSA-N 0 0 334.342 1.789 10 70 EDIERN CCC[C@H](C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)[NH+](C)C ZINC000161502077 442005954 /nfs/dbraw/zinc/00/59/54/442005954.db2.gz CLGMIBMMAXGLBT-CQSZACIVSA-N 0 0 332.404 1.407 10 70 EDIERN CC(C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000159729817 528615914 /nfs/dbraw/zinc/61/59/14/528615914.db2.gz ILOOWZNHZKUQDD-ROUUACIJSA-N 0 0 334.460 1.453 10 70 EDIERN C[C@H]1CCCN(S(=O)(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000159414259 225213758 /nfs/dbraw/zinc/21/37/58/225213758.db2.gz YCKCWXFTFVWQHX-AWEZNQCLSA-N 0 0 326.466 1.572 10 70 EDIERN C[C@H](NC(=O)N1CCC(c2ccnn2C)CC1)C(=O)N1CCCCC1 ZINC000160363024 225395601 /nfs/dbraw/zinc/39/56/01/225395601.db2.gz JZWVGDITMLJZDT-AWEZNQCLSA-N 0 0 347.463 1.710 10 70 EDIERN COc1cc(NC(=O)C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)ncn1 ZINC000159441809 274097385 /nfs/dbraw/zinc/09/73/85/274097385.db2.gz NJLDCJVWEJDZNZ-BDJLRTHQSA-N 0 0 340.383 1.782 10 70 EDIERN COc1ccccc1[C@H](NC(=O)C[C@@H](O)C(C)C)c1noc(C)n1 ZINC000160106268 441860375 /nfs/dbraw/zinc/86/03/75/441860375.db2.gz LROLOUSONVHGEG-CJNGLKHVSA-N 0 0 333.388 1.999 10 70 EDIERN O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@H]1CCc2ncnn2C1 ZINC000161044739 441950097 /nfs/dbraw/zinc/95/00/97/441950097.db2.gz YVYVCBUXSAANPX-AWEZNQCLSA-N 0 0 340.387 1.307 10 70 EDIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)c1ccccc1)CC2 ZINC000161428519 441999313 /nfs/dbraw/zinc/99/93/13/441999313.db2.gz XCBMYZKPJSHUNW-GJZGRUSLSA-N 0 0 343.431 1.749 10 70 EDIERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000161475105 442002746 /nfs/dbraw/zinc/00/27/46/442002746.db2.gz XGOCTLVKMANUQP-LBPRGKRZSA-N 0 0 340.339 1.513 10 70 EDIERN CSc1nc(Cl)cc(N2CCOC[C@@H]2C(=O)NC(C)C)n1 ZINC000160283800 533077422 /nfs/dbraw/zinc/07/74/22/533077422.db2.gz MOIDIZOILOSYDJ-SECBINFHSA-N 0 0 330.841 1.582 10 70 EDIERN COC(=O)[C@H](c1cccnc1)N1CCN(Cc2cnc(C)s2)CC1 ZINC000159900182 533371669 /nfs/dbraw/zinc/37/16/69/533371669.db2.gz MBBAVJGVNVTGJC-INIZCTEOSA-N 0 0 346.456 1.878 10 70 EDIERN Cn1c2[nH]c(Cc3ccc(Br)cc3)nc2c(=O)[nH]c1=O ZINC000159820791 225282755 /nfs/dbraw/zinc/28/27/55/225282755.db2.gz JHPMTSOIUHIFEM-UHFFFAOYSA-N 0 0 335.161 1.303 10 70 EDIERN Cc1cc(C)n2nc(CC(=O)N[C@H]3CCOC4(CCCC4)C3)nc2n1 ZINC000160222564 225365830 /nfs/dbraw/zinc/36/58/30/225365830.db2.gz PNXOIZBIODOHQU-AWEZNQCLSA-N 0 0 343.431 1.892 10 70 EDIERN CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000160388492 441876884 /nfs/dbraw/zinc/87/68/84/441876884.db2.gz SERKUKHBWWWRDS-SWLSCSKDSA-N 0 0 340.445 1.423 10 70 EDIERN CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000161097310 441956331 /nfs/dbraw/zinc/95/63/31/441956331.db2.gz HTLJRHUWUQGLAZ-JTQLQIEISA-N 0 0 348.794 1.428 10 70 EDIERN NC(=O)NC(=O)CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161139101 441962664 /nfs/dbraw/zinc/96/26/64/441962664.db2.gz CFLTWCDRFUOUCZ-MNOVXSKESA-N 0 0 331.294 1.008 10 70 EDIERN COc1ccc(C[C@H](C)CNC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000159663955 533782727 /nfs/dbraw/zinc/78/27/27/533782727.db2.gz MASKWUZKTGDBPC-JKSUJKDBSA-N 0 0 349.475 1.894 10 70 EDIERN COC(=O)c1ccc(F)c(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000161040928 534176446 /nfs/dbraw/zinc/17/64/46/534176446.db2.gz GBXIENSZMVGFDA-JTQLQIEISA-N 0 0 333.323 1.340 10 70 EDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)nc1)CC2 ZINC000161237824 528336540 /nfs/dbraw/zinc/33/65/40/528336540.db2.gz WIVDQVLKJIPNFI-LLVKDONJSA-N 0 0 346.366 1.005 10 70 EDIERN CCCn1c2[nH]c(-c3ccc(Br)o3)nc2c(=O)[nH]c1=O ZINC000159764349 528824396 /nfs/dbraw/zinc/82/43/96/528824396.db2.gz PMWVNZHJVFSLDO-UHFFFAOYSA-N 0 0 339.149 1.845 10 70 EDIERN C[C@H]1OCC[C@@H]1N(C)S(=O)(=O)c1ccc(CC(N)=S)cc1 ZINC000159440572 225218755 /nfs/dbraw/zinc/21/87/55/225218755.db2.gz MYKKVIRQKYQYDJ-MFKMUULPSA-N 0 0 328.459 1.313 10 70 EDIERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159916698 225301824 /nfs/dbraw/zinc/30/18/24/225301824.db2.gz HUAJUCCGBCIDEH-GFCCVEGCSA-N 0 0 342.465 1.132 10 70 EDIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc([S@](C)=O)cc1 ZINC000159945089 225305977 /nfs/dbraw/zinc/30/59/77/225305977.db2.gz FETNWOBRHKDUQI-YEBMWUKDSA-N 0 0 348.428 1.427 10 70 EDIERN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C[C@@H](O)C(C)C ZINC000160484753 225424471 /nfs/dbraw/zinc/42/44/71/225424471.db2.gz BPQYNYPQUYQCKY-MRXNPFEDSA-N 0 0 334.416 1.813 10 70 EDIERN C[C@@H](NC(=O)NCc1cccnc1N(C)C)c1nnc2n1CCCC2 ZINC000160246682 441867912 /nfs/dbraw/zinc/86/79/12/441867912.db2.gz JHRTUODBORVEDL-GFCCVEGCSA-N 0 0 343.435 1.636 10 70 EDIERN Cn1nc2c(cc1=O)CN(CC[N@H+](C)Cc1ccc(F)cc1)CC2 ZINC000159913174 441845385 /nfs/dbraw/zinc/84/53/85/441845385.db2.gz DTMORDKQDMMSEA-UHFFFAOYSA-N 0 0 330.407 1.410 10 70 EDIERN Cc1noc([C@@H]2COCCN2C[C@@H](O)COCc2ccccc2)n1 ZINC000160855664 441928082 /nfs/dbraw/zinc/92/80/82/441928082.db2.gz QRIJPCGLFVFHMM-CVEARBPZSA-N 0 0 333.388 1.329 10 70 EDIERN O=C(Nc1c(F)cccc1F)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000161017524 441948046 /nfs/dbraw/zinc/94/80/46/441948046.db2.gz LTQNDCVLKKSZEP-LBPRGKRZSA-N 0 0 347.321 1.978 10 70 EDIERN COCCCOc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000161317557 441984721 /nfs/dbraw/zinc/98/47/21/441984721.db2.gz PGXWPLKSPSVVTA-ZDUSSCGKSA-N 0 0 345.403 1.830 10 70 EDIERN CCn1cc(C2CCN(C(=O)C(=O)Nc3nocc3C)CC2)cn1 ZINC000161314526 441985157 /nfs/dbraw/zinc/98/51/57/441985157.db2.gz MBPPQQMKSOCWQB-UHFFFAOYSA-N 0 0 331.376 1.544 10 70 EDIERN CCNC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000159502019 528222217 /nfs/dbraw/zinc/22/22/17/528222217.db2.gz RBHHJNQDRXENSK-SECBINFHSA-N 0 0 332.187 1.366 10 70 EDIERN