smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCc1cccnc1)Nc1ncccc1Br ZINC000081764208 192321464 /nfs/dbraw/zinc/32/14/64/192321464.db2.gz MMFKCKNTAHAAHA-UHFFFAOYSA-N 0 0 306.163 2.810 40 0 DFABRN CC(C)N1N[C@](C)(c2cccc(Br)c2)NC1=S ZINC000225342854 201694714 /nfs/dbraw/zinc/69/47/14/201694714.db2.gz HVJSFCQFHBKJGS-GFCCVEGCSA-N 0 0 314.252 2.725 40 0 DFABRN COCCNC(=O)c1ccc(NCCC2=CCCCC2)c(N)c1 ZINC000225410633 201703156 /nfs/dbraw/zinc/70/31/56/201703156.db2.gz KXTQWSKBFKQWAZ-UHFFFAOYSA-N 0 0 317.433 2.947 40 0 DFABRN CCOCCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000225410334 201703496 /nfs/dbraw/zinc/70/34/96/201703496.db2.gz XABKEMWELBKHSU-AWEZNQCLSA-N 0 0 305.418 2.876 40 0 DFABRN Cc1cc(C(=O)NC[C@](C)(O)c2ccco2)c(C)n1C1CC1 ZINC000081835327 192330996 /nfs/dbraw/zinc/33/09/96/192330996.db2.gz YSWRNXILLSZBDZ-KRWDZBQOSA-N 0 0 302.374 2.670 40 0 DFABRN Nc1[nH]c(=O)nc(-c2ccccc2)c1C(=S)Nc1ccccc1 ZINC000095619078 185382788 /nfs/dbraw/zinc/38/27/88/185382788.db2.gz IHJXKOHOBJCVFT-UHFFFAOYSA-N 0 0 322.393 2.807 40 0 DFABRN c1ccc(N2CCN(C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000095696735 185383138 /nfs/dbraw/zinc/38/31/38/185383138.db2.gz IQNPJIIGYJNFJB-QGZVFWFLSA-N 0 0 310.397 2.649 40 0 DFABRN O=c1[nH]c(NCc2cccc(-n3cccn3)c2)nc2ccccc21 ZINC000078814731 185114088 /nfs/dbraw/zinc/11/40/88/185114088.db2.gz LIIWGULFQMHXTK-UHFFFAOYSA-N 0 0 317.352 2.721 40 0 DFABRN COc1c(C)cnc(CSc2nc(=O)ccn2C2CC2)c1C ZINC000078818083 185114891 /nfs/dbraw/zinc/11/48/91/185114891.db2.gz XLIACBFGLXWOMM-UHFFFAOYSA-N 0 0 317.414 2.891 40 0 DFABRN CC(C)N(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C1CC1 ZINC000078822567 185115365 /nfs/dbraw/zinc/11/53/65/185115365.db2.gz SDZRGXYOZSLQFN-UHFFFAOYSA-N 0 0 313.401 2.564 40 0 DFABRN CSC1(CNC(=O)C2(c3ccccc3)CC2)CCOCC1 ZINC000078877492 185121678 /nfs/dbraw/zinc/12/16/78/185121678.db2.gz NSXRTERJKAOTJR-UHFFFAOYSA-N 0 0 305.443 2.747 40 0 DFABRN COc1ccccc1CC(=O)N1CCC[C@@H](c2cc(C)n[nH]2)C1 ZINC000078902480 185126287 /nfs/dbraw/zinc/12/62/87/185126287.db2.gz CBASFBPKCZLEKU-OAHLLOKOSA-N 0 0 313.401 2.675 40 0 DFABRN COc1c(Cl)cccc1NC(=O)NC[C@](C)(O)c1ccco1 ZINC000078936802 185131490 /nfs/dbraw/zinc/13/14/90/185131490.db2.gz IYDLEOZZMWQBQU-HNNXBMFYSA-N 0 0 324.764 2.971 40 0 DFABRN CCC(CC)C(=O)N1CCCC[C@H]1c1ncc(C(N)=O)s1 ZINC000257293777 282146457 /nfs/dbraw/zinc/14/64/57/282146457.db2.gz QRDWMVRCKMHPRM-NSHDSACASA-N 0 0 309.435 2.732 40 0 DFABRN CCOc1cc(CNc2cncc(-n3nc(C)cc3C)n2)ccn1 ZINC000078979704 185139691 /nfs/dbraw/zinc/13/96/91/185139691.db2.gz ZZUXVERXSRWTFO-UHFFFAOYSA-N 0 0 324.388 2.685 40 0 DFABRN CO[C@@H]1CCC[C@H]1OC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000078985475 185140087 /nfs/dbraw/zinc/14/00/87/185140087.db2.gz QUXWGBOFXLZBBY-HUUCEWRRSA-N 0 0 303.358 2.759 40 0 DFABRN Cc1ccccc1N(C(=O)CC1(CS(C)(=O)=O)CC1)C(C)C ZINC000078985635 185140148 /nfs/dbraw/zinc/14/01/48/185140148.db2.gz YKKSIDCBYHVTLM-UHFFFAOYSA-N 0 0 323.458 2.951 40 0 DFABRN CC(=O)N1CCC(C(=O)OCCc2cccc(Cl)c2)CC1 ZINC000078986247 185140936 /nfs/dbraw/zinc/14/09/36/185140936.db2.gz NVZRWOKTGGTFFE-UHFFFAOYSA-N 0 0 309.793 2.684 40 0 DFABRN Cc1cc(CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)no1 ZINC000078965283 185136589 /nfs/dbraw/zinc/13/65/89/185136589.db2.gz SIAVRLLRLGAWSA-UHFFFAOYSA-N 0 0 316.361 2.694 40 0 DFABRN O=C(CCc1ccc(F)cc1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000079000024 185144229 /nfs/dbraw/zinc/14/42/29/185144229.db2.gz PYRJFSUJNOXYJA-KRWDZBQOSA-N 0 0 321.392 2.555 40 0 DFABRN Cc1cc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)ccn1 ZINC000079001767 185144651 /nfs/dbraw/zinc/14/46/51/185144651.db2.gz XLGWJVXPZKHLPC-CQSZACIVSA-N 0 0 303.406 2.756 40 0 DFABRN CC(C)Oc1ccc(NS(=O)(=O)CCc2ccccc2)cn1 ZINC000079008510 185145282 /nfs/dbraw/zinc/14/52/82/185145282.db2.gz DLSLIDABPJDAEB-UHFFFAOYSA-N 0 0 320.414 2.853 40 0 DFABRN CC[C@@H](CNC(=O)c1c(C)nn(C)c1C)Oc1ccccc1F ZINC000079013665 185146260 /nfs/dbraw/zinc/14/62/60/185146260.db2.gz NHUBEBYVUBHRSP-ZDUSSCGKSA-N 0 0 319.380 2.763 40 0 DFABRN C[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1OC(F)F ZINC000079013916 185146700 /nfs/dbraw/zinc/14/67/00/185146700.db2.gz PTABWFSUFZFBTJ-MRVPVSSYSA-N 0 0 305.708 2.802 40 0 DFABRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000079018752 185146771 /nfs/dbraw/zinc/14/67/71/185146771.db2.gz XECKOYUEDOATGI-ZIAGYGMSSA-N 0 0 308.422 2.811 40 0 DFABRN Cc1cc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)o1 ZINC000079018364 185146865 /nfs/dbraw/zinc/14/68/65/185146865.db2.gz YGPFLADOTFGXLK-QWHCGFSZSA-N 0 0 324.446 2.572 40 0 DFABRN Cc1nccc(CNC(=O)N[C@@H](C)c2csc(C3CC3)n2)n1 ZINC000079036119 185147754 /nfs/dbraw/zinc/14/77/54/185147754.db2.gz DRYCJBPTLNHUOV-VIFPVBQESA-N 0 0 317.418 2.679 40 0 DFABRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCC[C@H]1CCCO1 ZINC000079043344 185148123 /nfs/dbraw/zinc/14/81/23/185148123.db2.gz BFVHEKFYLTUQHC-CMPLNLGQSA-N 0 0 315.772 2.932 40 0 DFABRN CSc1nc(=O)[nH]c(C)c1C(=O)N1CCC(C(C)C)CC1 ZINC000081957362 192345267 /nfs/dbraw/zinc/34/52/67/192345267.db2.gz IYVVNGKMBPOPRG-UHFFFAOYSA-N 0 0 309.435 2.721 40 0 DFABRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCC[C@@H]1CCCO1 ZINC000079043333 185148377 /nfs/dbraw/zinc/14/83/77/185148377.db2.gz BFVHEKFYLTUQHC-JQWIXIFHSA-N 0 0 315.772 2.932 40 0 DFABRN CNC(=O)c1c(C)cccc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000079040255 185148395 /nfs/dbraw/zinc/14/83/95/185148395.db2.gz VECUKXUGGJIYHB-IUODEOHRSA-N 0 0 318.417 2.888 40 0 DFABRN CCCS(=O)(=O)CC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000079048962 185148995 /nfs/dbraw/zinc/14/89/95/185148995.db2.gz NEHRQTNVDDTMCE-UHFFFAOYSA-N 0 0 321.442 2.670 40 0 DFABRN CSc1nnc(Cn2c3c(sc2=O)CCCCC3)s1 ZINC000079090094 185156527 /nfs/dbraw/zinc/15/65/27/185156527.db2.gz KLFXWBZNZCWJEV-UHFFFAOYSA-N 0 0 313.473 2.800 40 0 DFABRN Cc1ccc(C(=O)N(C)C)cc1NCc1nnc(C(C)C)o1 ZINC000079108085 185158817 /nfs/dbraw/zinc/15/88/17/185158817.db2.gz ZTSGRQMYMMTKCV-UHFFFAOYSA-N 0 0 302.378 2.815 40 0 DFABRN CC(C)(CNC(=O)NCCOCC(F)(F)F)c1cccs1 ZINC000079349310 185166016 /nfs/dbraw/zinc/16/60/16/185166016.db2.gz PETWEOQVQVYZAZ-UHFFFAOYSA-N 0 0 324.368 2.904 40 0 DFABRN COc1cccc(OCC(=O)Nc2ccc(OC(C)C)nc2)c1 ZINC000079222205 185161821 /nfs/dbraw/zinc/16/18/21/185161821.db2.gz WLYDFAXJHLCXJZ-UHFFFAOYSA-N 0 0 316.357 2.895 40 0 DFABRN Cc1nc(C(=O)N2CCn3c(ncc3-c3ccco3)C2)cs1 ZINC000306129848 231086421 /nfs/dbraw/zinc/08/64/21/231086421.db2.gz IOTVCZYATUGUEU-UHFFFAOYSA-N 0 0 314.370 2.564 40 0 DFABRN C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@@]21C ZINC000004217667 398348587 /nfs/dbraw/zinc/34/85/87/398348587.db2.gz GYRPICHNIDQFOD-RPZLJYRGSA-N 0 0 314.425 2.607 40 0 in-vitro DFABRN CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O ZINC000006949645 398357388 /nfs/dbraw/zinc/35/73/88/398357388.db2.gz AFHHMCQKXOSQKQ-FOWTUZBSSA-N 0 0 321.380 2.963 40 0 DFABRN O=S(=O)(c1ccccc1)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1CO ZINC000225659423 398349758 /nfs/dbraw/zinc/34/97/58/398349758.db2.gz RRKCNSQBLRZYAH-PMPSAXMXSA-N 0 0 322.813 2.888 40 0 DFABRN CCCSc1nnc(CN2CCOCC2)n1-c1ccccc1 ZINC000006629713 398355216 /nfs/dbraw/zinc/35/52/16/398355216.db2.gz ATONUWNFKHEOGT-UHFFFAOYSA-N 0 0 318.446 2.602 40 0 DFABRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C=O)cc3)CC2=O)cc1 ZINC000007928665 398366828 /nfs/dbraw/zinc/36/68/28/398366828.db2.gz XGALVCMYWDZHIY-OAHLLOKOSA-N 0 0 323.348 2.766 40 0 DFABRN CC1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000007881805 398367144 /nfs/dbraw/zinc/36/71/44/398367144.db2.gz GVHSPBAXYZZRQW-ARWYELJZSA-N 0 0 314.429 2.730 40 0 DFABRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C=O)cc3)CC2=O)cc1 ZINC000007928666 398367957 /nfs/dbraw/zinc/36/79/57/398367957.db2.gz XGALVCMYWDZHIY-HNNXBMFYSA-N 0 0 323.348 2.766 40 0 DFABRN CCCCC(=O)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000575402318 398368704 /nfs/dbraw/zinc/36/87/04/398368704.db2.gz AHAOFJRLTWPCNK-HNNXBMFYSA-N 0 0 320.458 2.875 40 0 DFABRN CC(C)CC(=O)N1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000575406476 398368904 /nfs/dbraw/zinc/36/89/04/398368904.db2.gz XNPBKAFNJNPTTE-GFCCVEGCSA-N 0 0 324.421 2.732 40 0 DFABRN Fc1cccc(F)c1Nc1cc(C2CC2)nc(NC2CC2)n1 ZINC000329015480 231415981 /nfs/dbraw/zinc/41/59/81/231415981.db2.gz NBOMCFJRSCBLLN-UHFFFAOYSA-N 0 0 302.328 2.794 40 0 DFABRN O=C(c1ccc(N2C(=O)CCCC2=O)cc1)N1CCCCCC1 ZINC000008471545 398373131 /nfs/dbraw/zinc/37/31/31/398373131.db2.gz AZCRVEIPKKWSCN-UHFFFAOYSA-N 0 0 314.385 2.746 40 0 DFABRN COc1ccc(-c2nnc(NC(=O)/C=C/c3ccco3)o2)cc1 ZINC000009062286 398375155 /nfs/dbraw/zinc/37/51/55/398375155.db2.gz SQYMAWOENSWJQT-CMDGGOBGSA-N 0 0 311.297 2.990 40 0 DFABRN C=Cn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000010119613 398376775 /nfs/dbraw/zinc/37/67/75/398376775.db2.gz RWEBGLFZNZHPTN-UHFFFAOYSA-N 0 0 305.341 2.544 40 0 DFABRN Cc1ncoc1C(=O)N1C[C@@H]2CC[C@H](Oc3ccccc3)[C@@H]2C1 ZINC000257293893 282227982 /nfs/dbraw/zinc/22/79/82/282227982.db2.gz QRQCRHYLBMFSJM-IMJJTQAJSA-N 0 0 312.369 2.913 40 0 DFABRN COc1ccc2c(c1)OCCN(c1cc(OC(C)C)ncn1)C2 ZINC000413299774 295695421 /nfs/dbraw/zinc/69/54/21/295695421.db2.gz UQUAAGXNNSCKBO-UHFFFAOYSA-N 0 0 315.373 2.671 40 0 DFABRN CNc1nc(Nc2ccc(C)c(F)c2)cc(-c2ccncc2)n1 ZINC000328957650 529833526 /nfs/dbraw/zinc/83/35/26/529833526.db2.gz AKJJEHNYLIWIEB-UHFFFAOYSA-N 0 0 309.348 2.615 40 0 DFABRN CCOC(=O)c1c(N)ncn1-c1ccc(Cl)c(Cl)c1 ZINC000256051780 398427197 /nfs/dbraw/zinc/42/71/97/398427197.db2.gz KLWKUUXSOOXLRR-UHFFFAOYSA-N 0 0 300.145 2.938 40 0 DFABRN O=C(NC1CC2(C1)CCN(C(=O)c1ccsc1)CC2)C1CC1 ZINC000585103346 398431937 /nfs/dbraw/zinc/43/19/37/398431937.db2.gz BHVZXYVIHUMFTI-UHFFFAOYSA-N 0 0 318.442 2.659 40 0 DFABRN CCc1cc(CN2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)on1 ZINC000585278973 398437989 /nfs/dbraw/zinc/43/79/89/398437989.db2.gz JPQWUNIVILGUCK-KDOFPFPSSA-N 0 0 318.392 2.802 40 0 DFABRN O=C(c1cnc2ccccc2c1)N1CCC[C@]2(CCC(=O)O2)C1 ZINC000585286926 398439621 /nfs/dbraw/zinc/43/96/21/398439621.db2.gz XULAFMRSQMXPNM-SFHVURJKSA-N 0 0 310.353 2.547 40 0 DFABRN CC(C)NC(=O)c1nc2c(o1)CCN(CC1CCCCC1)C2 ZINC000585111478 398433206 /nfs/dbraw/zinc/43/32/06/398433206.db2.gz BFXBCCHYRKMCIU-UHFFFAOYSA-N 0 0 305.422 2.751 40 0 DFABRN c1coc(CN2CC3(C2)C[C@@H](OCc2cccnc2)CS3)c1 ZINC000585104304 398433288 /nfs/dbraw/zinc/43/32/88/398433288.db2.gz GZIGUKKGUFJRCQ-MRXNPFEDSA-N 0 0 316.426 2.951 40 0 DFABRN c1cc(CN2CC3(C2)C[C@@H](OCc2cccnc2)CS3)co1 ZINC000585104974 398433565 /nfs/dbraw/zinc/43/35/65/398433565.db2.gz MXDZTBFNTXURKM-MRXNPFEDSA-N 0 0 316.426 2.951 40 0 DFABRN CO[C@@H]1CC[C@@H](N(C)C(=O)c2oc3cc(C)ccc3c2C)[C@H]1O ZINC000585269176 398437012 /nfs/dbraw/zinc/43/70/12/398437012.db2.gz STRZNJSTOPIGNZ-IIAWOOMASA-N 0 0 317.385 2.660 40 0 DFABRN O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cccnc1 ZINC000036133880 190662479 /nfs/dbraw/zinc/66/24/79/190662479.db2.gz QIBLQKBEKHJGPJ-UHFFFAOYSA-N 0 0 314.732 2.715 40 0 DFABRN CCC[C@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1 ZINC000225884035 201758381 /nfs/dbraw/zinc/75/83/81/201758381.db2.gz AQZQDWQOSFAXQT-INIZCTEOSA-N 0 0 310.394 2.641 40 0 DFABRN CCCn1nc(-c2ccc(OC)cc2)cc(C(=O)OCC)c1=O ZINC000225964512 201763302 /nfs/dbraw/zinc/76/33/02/201763302.db2.gz CNBNKPSJKHFRMG-UHFFFAOYSA-N 0 0 316.357 2.506 40 0 DFABRN CCSC1=NN2[C@@H](c3ccccc3NC23CCCC3)C(=O)N1 ZINC000588229285 398490821 /nfs/dbraw/zinc/49/08/21/398490821.db2.gz SMMNCRVDLDMHPI-ZDUSSCGKSA-N 0 0 316.430 2.879 40 0 DFABRN Nc1cccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000032207735 398527052 /nfs/dbraw/zinc/52/70/52/398527052.db2.gz FQCQBXHAQLTZNA-MDZDMXLPSA-N 0 0 307.397 2.631 40 0 DFABRN Cc1[nH]ccc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091758111 398544049 /nfs/dbraw/zinc/54/40/49/398544049.db2.gz DUKAPNGBYQAKIR-XHDPSFHLSA-N 0 0 306.312 2.549 40 0 DFABRN Cc1nc(C)c(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)o1 ZINC000091759517 398545006 /nfs/dbraw/zinc/54/50/06/398545006.db2.gz BVSLACCQPJSEDI-SMDDNHRTSA-N 0 0 322.311 2.518 40 0 DFABRN CN(CC1CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000083859080 192387920 /nfs/dbraw/zinc/38/79/20/192387920.db2.gz GRMCHJPIPDCXLW-UHFFFAOYSA-N 0 0 313.401 2.927 40 0 DFABRN Cc1nc(NC(=O)NCCN2c3ccccc3C[C@@H]2C)oc1C ZINC000084061627 192399448 /nfs/dbraw/zinc/39/94/48/192399448.db2.gz 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O=C(NC1CCCC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000043733621 398628657 /nfs/dbraw/zinc/62/86/57/398628657.db2.gz SHAQXPZQTRQOJD-LLVKDONJSA-N 0 0 306.793 2.752 40 0 DFABRN Cc1cc(S(=O)(=O)N(C)Cc2cccnc2)sc1Cl ZINC000191836254 186261144 /nfs/dbraw/zinc/26/11/44/186261144.db2.gz HZSSXVGDVMVOLT-UHFFFAOYSA-N 0 0 316.835 2.926 40 0 DFABRN CCOCC[C@H]1CCOC12CCN(C(=O)C1CC=CC1)CC2 ZINC000253387026 186303016 /nfs/dbraw/zinc/30/30/16/186303016.db2.gz YWBOUQNKIHCJSO-INIZCTEOSA-N 0 0 307.434 2.777 40 0 DFABRN O=C(NC[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccco1 ZINC000072324232 191123416 /nfs/dbraw/zinc/12/34/16/191123416.db2.gz MEIFTUJOMYMMNX-GFCCVEGCSA-N 0 0 318.398 2.623 40 0 DFABRN Cc1cc(-c2cc3nc(C)c(C)c(NCCO)n3n2)c(C)o1 ZINC000072337448 191126174 /nfs/dbraw/zinc/12/61/74/191126174.db2.gz YDSUUQKGUHWBKO-UHFFFAOYSA-N 0 0 300.362 2.627 40 0 DFABRN O=C(C1CC1)N1CCC(c2cncc(Oc3cccnc3)n2)CC1 ZINC000072362066 191131488 /nfs/dbraw/zinc/13/14/88/191131488.db2.gz MBPVGGOPQOWQRU-UHFFFAOYSA-N 0 0 324.384 2.780 40 0 DFABRN CC(=O)N1CCC[C@H]1c1cccc(NCC2CCOCC2)n1 ZINC000072365449 191134130 /nfs/dbraw/zinc/13/41/30/191134130.db2.gz BDNKUDJMZRWRNB-INIZCTEOSA-N 0 0 303.406 2.604 40 0 DFABRN CC(=O)N1CCC[C@H](c2nccnc2Nc2ncc(C)s2)C1 ZINC000072365554 191134711 /nfs/dbraw/zinc/13/47/11/191134711.db2.gz SCERNSAWERSWTC-LBPRGKRZSA-N 0 0 317.418 2.711 40 0 DFABRN Cc1cccc(OC[C@H]2CCCN(C(=O)c3cncnc3)C2)c1 ZINC000072368334 191138664 /nfs/dbraw/zinc/13/86/64/191138664.db2.gz ICQJXNMMTWVEJT-HNNXBMFYSA-N 0 0 311.385 2.716 40 0 DFABRN O=C(c1cnccn1)N1CC[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000072368320 191138474 /nfs/dbraw/zinc/13/84/74/191138474.db2.gz QNQVEBAHDGMQEA-AWEZNQCLSA-N 0 0 318.380 2.730 40 0 DFABRN Cc1nccn1-c1cccc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072379210 191140858 /nfs/dbraw/zinc/14/08/58/191140858.db2.gz RTVDZJQFIKEISL-HNNXBMFYSA-N 0 0 320.400 2.750 40 0 DFABRN Cc1nc([N-]c2nncs2)cc([C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000072382651 191142640 /nfs/dbraw/zinc/14/26/40/191142640.db2.gz DIAJSSXMSCPFEY-LLVKDONJSA-N 0 0 304.423 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C[C@@H](SCc1ccccc1)C(=O)NCCCn1ccnc1 ZINC000047081084 398735627 /nfs/dbraw/zinc/73/56/27/398735627.db2.gz HDHMFAYOSIONBH-CQSZACIVSA-N 0 0 303.431 2.711 40 0 DFABRN Cc1ccc([C@@H](C)n2cc(C(=O)NCc3ccncc3)nn2)cc1 ZINC000004929364 181174201 /nfs/dbraw/zinc/17/42/01/181174201.db2.gz QJEDXSCCONJFDR-CQSZACIVSA-N 0 0 321.384 2.521 40 0 DFABRN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)CC(=O)N2 ZINC000004944165 181176760 /nfs/dbraw/zinc/17/67/60/181176760.db2.gz SGKJJVGHYCOQNG-NSHDSACASA-N 0 0 315.398 2.746 40 0 DFABRN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)CC(=O)N2 ZINC000004944177 181176830 /nfs/dbraw/zinc/17/68/30/181176830.db2.gz KMBCUDCACRUKKK-NSHDSACASA-N 0 0 315.398 2.664 40 0 DFABRN O=C(CSc1nnnn1C1CCCC1)c1ccc(F)cc1 ZINC000004968005 181181595 /nfs/dbraw/zinc/18/15/95/181181595.db2.gz LXYSVQTWLVPSOR-UHFFFAOYSA-N 0 0 306.366 2.902 40 0 DFABRN O=c1[nH]c2nc(SCc3ccc(F)cc3)sc2c(=O)[nH]1 ZINC000004987578 181185007 /nfs/dbraw/zinc/18/50/07/181185007.db2.gz UFFHOKIKDJMSAP-UHFFFAOYSA-N 0 0 309.347 2.517 40 0 DFABRN CCn1c(C)nnc1SCc1nnc(-c2ccccc2)o1 ZINC000075329936 191462948 /nfs/dbraw/zinc/46/29/48/191462948.db2.gz PSCHQXDDPXYSMY-UHFFFAOYSA-N 0 0 301.375 2.949 40 0 DFABRN COc1cc(OC)c(NC(=O)c2cccs2)cc1NC(C)=O ZINC000005015581 181191295 /nfs/dbraw/zinc/19/12/95/181191295.db2.gz XJHRBFWOBPHHHS-UHFFFAOYSA-N 0 0 320.370 2.976 40 0 DFABRN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=N)NC1=O ZINC000005027396 181192656 /nfs/dbraw/zinc/19/26/56/181192656.db2.gz GMQPKCSKCODVAV-XFFZJAGNSA-N 0 0 318.789 2.973 40 0 DFABRN Cc1noc(COCC(=O)Nc2c(C)cccc2C(C)C)n1 ZINC000078725296 191919063 /nfs/dbraw/zinc/91/90/63/191919063.db2.gz RTHBJQNHJGGTSE-UHFFFAOYSA-N 0 0 303.362 2.965 40 0 DFABRN Cc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000005251177 181221747 /nfs/dbraw/zinc/22/17/47/181221747.db2.gz ZVRVZRVCGPSLPC-UHFFFAOYSA-N 0 0 300.333 2.697 40 0 DFABRN O=C(NC(=S)N1CCCC1)c1ccc(Br)cc1 ZINC000005375765 181235917 /nfs/dbraw/zinc/23/59/17/181235917.db2.gz RUKIWPTXSDXSPT-UHFFFAOYSA-N 0 0 313.220 2.560 40 0 DFABRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCc1cnn(C)c1 ZINC000079585846 191953318 /nfs/dbraw/zinc/95/33/18/191953318.db2.gz WPKVCDYUAMFFGD-SGTLLEGYSA-N 0 0 315.392 2.932 40 0 DFABRN CCc1cnc(CN(C)S(=O)(=O)c2ccccc2F)s1 ZINC000080832488 192194641 /nfs/dbraw/zinc/19/46/41/192194641.db2.gz UOQWXLBAUVQZAO-UHFFFAOYSA-N 0 0 314.407 2.665 40 0 DFABRN Cc1ncsc1CN(C)S(=O)(=O)c1cc(C)cc(F)c1 ZINC000080752116 192187778 /nfs/dbraw/zinc/18/77/78/192187778.db2.gz GLGUKMCNTNJPHN-UHFFFAOYSA-N 0 0 314.407 2.720 40 0 DFABRN COc1ccccc1/C=C/C(=O)NC[C@](C)(O)c1cccs1 ZINC000080878576 192198528 /nfs/dbraw/zinc/19/85/28/192198528.db2.gz IRXCECUXQRKBPL-FVNWOWOISA-N 0 0 317.410 2.794 40 0 DFABRN Cc1cc([C@](C)(O)CNC(=O)/C=C/c2csc(C)n2)c(C)o1 ZINC000080899726 192198969 /nfs/dbraw/zinc/19/89/69/192198969.db2.gz ABDMQMYCCWLEDS-SQRWCISFSA-N 0 0 320.414 2.698 40 0 DFABRN O=C(Cc1ccccc1F)NCCc1nc2cc(F)ccc2[nH]1 ZINC000080939285 192202893 /nfs/dbraw/zinc/20/28/93/192202893.db2.gz XPGVJGXCNJKACU-UHFFFAOYSA-N 0 0 315.323 2.743 40 0 DFABRN O=c1oc2ccccc2cc1C1=NN[C@@H](c2cccc(O)c2)C1 ZINC000005704903 181275019 /nfs/dbraw/zinc/27/50/19/181275019.db2.gz LDDKLMOOKRWRGB-OAHLLOKOSA-N 0 0 306.321 2.937 40 0 DFABRN CCCC(=O)N1CCC[C@@H](C(=O)Nc2ncc(CC)s2)C1 ZINC000081228832 192239021 /nfs/dbraw/zinc/23/90/21/192239021.db2.gz SNFQGORIMGRIHA-LLVKDONJSA-N 0 0 309.435 2.683 40 0 DFABRN COCCOC[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000081263523 192241314 /nfs/dbraw/zinc/24/13/14/192241314.db2.gz NXYGKAMPNSOXFU-ZDUSSCGKSA-N 0 0 311.809 2.774 40 0 DFABRN CCCOC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000005728027 181277716 /nfs/dbraw/zinc/27/77/16/181277716.db2.gz MCAXYQSQYRLGSX-UHFFFAOYSA-N 0 0 310.147 2.857 40 0 DFABRN CCCOC(=O)C(C(=O)OCCC)=C1SC[C@H](C)S1 ZINC000005793442 181284383 /nfs/dbraw/zinc/28/43/83/181284383.db2.gz NWOWNLDFVPRUNL-VIFPVBQESA-N 0 0 304.433 2.973 40 0 DFABRN CC(C)[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccccn1 ZINC000081497257 192274854 /nfs/dbraw/zinc/27/48/54/192274854.db2.gz FCMMWDRTLQIKDN-IIAWOOMASA-N 0 0 305.422 2.629 40 0 DFABRN CCOC[C@@H]1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000081610931 192302986 /nfs/dbraw/zinc/30/29/86/192302986.db2.gz CAILXKHJNCPIPJ-GFCCVEGCSA-N 0 0 306.410 2.664 40 0 DFABRN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccn3C)C2)c1 ZINC000081639976 192306281 /nfs/dbraw/zinc/30/62/81/192306281.db2.gz KHBKOBIZMCYCQF-CYBMUJFWSA-N 0 0 314.385 2.672 40 0 DFABRN Cc1nc(-c2ccccc2Cl)sc1CNS(C)(=O)=O ZINC000085471081 192512380 /nfs/dbraw/zinc/51/23/80/192512380.db2.gz QSFCAKMDJOUEFN-UHFFFAOYSA-N 0 0 316.835 2.821 40 0 DFABRN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)OCN1C(=O)c2ccccc2C1=O ZINC000005832650 181287480 /nfs/dbraw/zinc/28/74/80/181287480.db2.gz JWYKJTODDJOYSZ-XQQFMLRXSA-N 0 0 313.353 2.610 40 0 DFABRN CCCC(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1 ZINC000005857462 181290442 /nfs/dbraw/zinc/29/04/42/181290442.db2.gz QIGYSQRACUSIBK-UHFFFAOYSA-N 0 0 307.419 2.894 40 0 DFABRN Nc1ncc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1 ZINC000005974561 181303065 /nfs/dbraw/zinc/30/30/65/181303065.db2.gz NTVMHTFWSNGDLC-UHFFFAOYSA-N 0 0 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COc1ccc(N2N[C@](C)(c3cccs3)NC2=S)cc1 ZINC000225343122 426597880 /nfs/dbraw/zinc/59/78/80/426597880.db2.gz AEZKEZQSUPKCPB-CQSZACIVSA-N 0 0 305.428 2.829 40 0 DFABRN CCOC(=O)c1cccc(NC(=S)NC[C@H]2CCCO2)c1C ZINC000225318853 426598085 /nfs/dbraw/zinc/59/80/85/426598085.db2.gz DBYOKDBNKJESKE-GFCCVEGCSA-N 0 0 322.430 2.637 40 0 DFABRN Cc1cccc(NC(=S)NCCN(C)c2ccccc2)n1 ZINC000225572513 426608268 /nfs/dbraw/zinc/60/82/68/426608268.db2.gz NRUJZYPWGBWILT-UHFFFAOYSA-N 0 0 300.431 2.813 40 0 DFABRN CCn1c2cc(Cl)c(C(=O)NC(C)C)cc2nc1C(=O)OC ZINC000225730197 426610098 /nfs/dbraw/zinc/61/00/98/426610098.db2.gz QDVGWKPOCSNNBO-UHFFFAOYSA-N 0 0 323.780 2.634 40 0 DFABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NC1CCCC1 ZINC000225721860 426610744 /nfs/dbraw/zinc/61/07/44/426610744.db2.gz DHSCXQQQPCXJTK-UHFFFAOYSA-N 0 0 304.777 2.714 40 0 DFABRN O=C(Cn1ccc(=O)c2ccccc21)N1CCc2ccccc2C1 ZINC000225720599 426610904 /nfs/dbraw/zinc/61/09/04/426610904.db2.gz WMHKKBZBGBVKST-UHFFFAOYSA-N 0 0 318.376 2.586 40 0 DFABRN COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccncc1 ZINC000225788359 426612123 /nfs/dbraw/zinc/61/21/23/426612123.db2.gz MJDHDNBFZZEMRE-GFCCVEGCSA-N 0 0 317.414 2.844 40 0 DFABRN CC(C)(C)CNC(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000225798134 426612179 /nfs/dbraw/zinc/61/21/79/426612179.db2.gz PDMGTQQYYJAAAT-UHFFFAOYSA-N 0 0 305.353 2.971 40 0 DFABRN COC(=O)c1cc(NC(=O)C(C)(C)OC)ccc1OCC(C)C ZINC000225788930 426612779 /nfs/dbraw/zinc/61/27/79/426612779.db2.gz BJEJZEDTGPTEEG-UHFFFAOYSA-N 0 0 323.389 2.872 40 0 DFABRN CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)nc1 ZINC000225885603 426614164 /nfs/dbraw/zinc/61/41/64/426614164.db2.gz KUZPWFJRJBWCEJ-MRXNPFEDSA-N 0 0 310.394 2.641 40 0 DFABRN CCCNC(=S)Nc1nc(OC)cc(Oc2ccccc2)n1 ZINC000225884564 426614386 /nfs/dbraw/zinc/61/43/86/426614386.db2.gz DAJNDHIFFDVWIZ-UHFFFAOYSA-N 0 0 318.402 2.974 40 0 DFABRN Cc1ccc2oc(=O)c(C(=O)NCCCOC(C)C)cc2c1 ZINC000226037497 426615383 /nfs/dbraw/zinc/61/53/83/426615383.db2.gz WUSOLEWNBHFDSI-UHFFFAOYSA-N 0 0 303.358 2.646 40 0 DFABRN CCOC(=O)CCCN(C)C(=O)c1ccc2[nH]c(Cl)nc2c1 ZINC000225978630 426616240 /nfs/dbraw/zinc/61/62/40/426616240.db2.gz CSAMGOMKSDBPNH-UHFFFAOYSA-N 0 0 323.780 2.632 40 0 DFABRN CCCC[C@](C)(OC)C(=O)Nc1cnc(OCCOC)c(C)c1 ZINC000225886169 426616527 /nfs/dbraw/zinc/61/65/27/426616527.db2.gz NIGOEDMDBVIOBW-KRWDZBQOSA-N 0 0 324.421 2.949 40 0 DFABRN CCOCCOc1ccc(NC(=O)C2(OC)CCCC2)c(C)n1 ZINC000225887643 426616603 /nfs/dbraw/zinc/61/66/03/426616603.db2.gz BJFQFLCRYPNWQU-UHFFFAOYSA-N 0 0 322.405 2.703 40 0 DFABRN COc1ccc(NC(=O)C2(C)CC2)cc1C(=O)N1CCCC1 ZINC000225959457 426616853 /nfs/dbraw/zinc/61/68/53/426616853.db2.gz SQBNGZYHKCCRQS-UHFFFAOYSA-N 0 0 302.374 2.670 40 0 DFABRN Brc1ccc(I)c2[nH]cnc21 ZINC000238061568 426706255 /nfs/dbraw/zinc/70/62/55/426706255.db2.gz LUQMHXKTGXZVRL-UHFFFAOYSA-N 0 0 322.931 2.930 40 0 DFABRN CCc1ccc(C(=O)N2CC3(C2)C[C@H](CCOC)CCO3)cc1 ZINC000247887517 426964821 /nfs/dbraw/zinc/96/48/21/426964821.db2.gz SBQKXKDNXQOBCG-MRXNPFEDSA-N 0 0 317.429 2.907 40 0 DFABRN c1cc(CN2Cc3cncn3[C@@H](COc3ccccn3)C2)co1 ZINC000247960860 426967249 /nfs/dbraw/zinc/96/72/49/426967249.db2.gz OGNHKIUBPRPPHF-MRXNPFEDSA-N 0 0 310.357 2.507 40 0 DFABRN Cc1nc(CN2C[C@@H]3CN(c4ccccc4)C(=O)[C@H]3C2)cs1 ZINC000247983330 426972848 /nfs/dbraw/zinc/97/28/48/426972848.db2.gz YAZSDALBMPJQJO-CJNGLKHVSA-N 0 0 313.426 2.546 40 0 DFABRN c1cncc(NC[C@@H]2CC[C@H]3[C@H]2OCCN3c2cccnc2)c1 ZINC000248066655 426978863 /nfs/dbraw/zinc/97/88/63/426978863.db2.gz RGCYLAWTYADCOF-WBAXXEDZSA-N 0 0 310.401 2.573 40 0 DFABRN C[C@H]1Cc2ccccc2CN1c1cc(NCCO)nc(C2CC2)n1 ZINC000328977748 427017635 /nfs/dbraw/zinc/01/76/35/427017635.db2.gz FVFWPGSMEFXQEC-ZDUSSCGKSA-N 0 0 324.428 2.709 40 0 DFABRN CC(C)Nc1nc(NCc2cccs2)cc(C(F)(F)F)n1 ZINC000328964550 427019429 /nfs/dbraw/zinc/01/94/29/427019429.db2.gz BVGVBHVVYGIVGU-UHFFFAOYSA-N 0 0 316.352 2.833 40 0 DFABRN CNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)ncn1 ZINC000328982532 427022190 /nfs/dbraw/zinc/02/21/90/427022190.db2.gz HBGQXWBVIPKZIK-UHFFFAOYSA-N 0 0 324.306 2.980 40 0 DFABRN CNc1nc(NCc2cccc(C)c2)cc(-c2ccccc2)n1 ZINC000329014433 427024218 /nfs/dbraw/zinc/02/42/18/427024218.db2.gz MWUDHCKXNKELGY-UHFFFAOYSA-N 0 0 304.397 2.950 40 0 DFABRN CC(C)(C)c1nc(Cl)cc(NC(=O)c2cccc(N)c2)n1 ZINC000329010267 427024884 /nfs/dbraw/zinc/02/48/84/427024884.db2.gz MAIGUQVOBVVYSY-UHFFFAOYSA-N 0 0 304.781 3.262 40 0 DFABRN Clc1cc(NCCc2ccncc2)nc(-c2cccnc2)n1 ZINC000329026053 427027113 /nfs/dbraw/zinc/02/71/13/427027113.db2.gz PJMHACYGGTWMFQ-UHFFFAOYSA-N 0 0 311.776 3.242 40 0 DFABRN CCNc1nc(Nc2ccccc2OC)cc(-c2ccccn2)n1 ZINC000329033699 427031771 /nfs/dbraw/zinc/03/17/71/427031771.db2.gz QUSISMJRTVFBMQ-UHFFFAOYSA-N 0 0 321.384 2.566 40 0 DFABRN CNc1nc(Nc2cccc(Cl)c2)cc(-c2cccnc2)n1 ZINC000329066947 427036759 /nfs/dbraw/zinc/03/67/59/427036759.db2.gz YEZMLKODMBHADH-UHFFFAOYSA-N 0 0 311.776 2.821 40 0 DFABRN c1cncc(CN2CC3(C2)C[C@@H](Oc2cccnc2)CS3)c1 ZINC000253601491 427216089 /nfs/dbraw/zinc/21/60/89/427216089.db2.gz BHQTZSNVBXEOGS-MRXNPFEDSA-N 0 0 313.426 2.616 40 0 DFABRN C[C@@H](CNC(=O)Oc1ccccc1)NC(=O)Oc1ccccc1 ZINC000255187867 427246723 /nfs/dbraw/zinc/24/67/23/427246723.db2.gz HGIXTMARIYMPJT-ZDUSSCGKSA-N 0 0 314.341 2.952 40 0 DFABRN CC(C)n1ccc(CNCc2cnn(CC(F)(F)F)c2)n1 ZINC000256052859 427304141 /nfs/dbraw/zinc/30/41/41/427304141.db2.gz OYLFXVDTMQLXHY-UHFFFAOYSA-N 0 0 301.316 2.513 40 0 DFABRN Cc1cc(-c2nccnc2[C@@H]2CCCN2C(=O)C(C)(C)C)n[nH]1 ZINC000257208938 427308981 /nfs/dbraw/zinc/30/89/81/427308981.db2.gz BODVXSUBWXNARF-ZDUSSCGKSA-N 0 0 313.405 2.885 40 0 DFABRN CCC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(C)=O)CC1 ZINC000257204298 427309413 /nfs/dbraw/zinc/30/94/13/427309413.db2.gz ATWYMNNIKLLJGQ-MPGHIAIKSA-N 0 0 317.433 2.591 40 0 DFABRN CC(=O)N1CCC[C@H]1c1cncc(C[N@@H+](C)C2CCCC2)n1 ZINC000257207028 427309713 /nfs/dbraw/zinc/30/97/13/427309713.db2.gz BGBCCWZGGRBFRM-KRWDZBQOSA-N 0 0 302.422 2.534 40 0 DFABRN CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn2nccc12 ZINC000257206534 427310232 /nfs/dbraw/zinc/31/02/32/427310232.db2.gz BDWUEGLVSATYCF-GFCCVEGCSA-N 0 0 315.421 2.523 40 0 DFABRN Cc1c[nH]c([C@H]2CCN(C(=O)CCOc3ccccc3F)C2)n1 ZINC000257203758 427310304 /nfs/dbraw/zinc/31/03/04/427310304.db2.gz ARNBSGSIPNLHCV-ZDUSSCGKSA-N 0 0 317.364 2.642 40 0 DFABRN CCc1noc(C)c1C(=O)N1CCC[C@@H](Cc2n[nH]cc2C)C1 ZINC000257203574 427311473 /nfs/dbraw/zinc/31/14/73/427311473.db2.gz AQSPJGLHXSKUMW-ZDUSSCGKSA-N 0 0 316.405 2.672 40 0 DFABRN O=C(c1cncnc1)N1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257217990 427313581 /nfs/dbraw/zinc/31/35/81/427313581.db2.gz DBKYALWMRHJNRT-CQSZACIVSA-N 0 0 318.380 2.730 40 0 DFABRN CCC(CC)C(=O)N1CCC[C@H]1c1nccnc1-c1ncc[nH]1 ZINC000257212823 427313816 /nfs/dbraw/zinc/31/38/16/427313816.db2.gz CFCDZPIITLTACS-ZDUSSCGKSA-N 0 0 313.405 2.966 40 0 DFABRN CNc1nccc([C@@H]2CCCCN2Cc2cccnc2NC)n1 ZINC000257219185 427314113 /nfs/dbraw/zinc/31/41/13/427314113.db2.gz DFXMRJAXPPFHRY-HNNXBMFYSA-N 0 0 312.421 2.682 40 0 DFABRN Cc1nc(-c2cc[nH]n2)cc([C@H]2CCCN2C(=O)C(C)(C)C)n1 ZINC000257215696 427314130 /nfs/dbraw/zinc/31/41/30/427314130.db2.gz CRGKBDFDQYUKNV-OAHLLOKOSA-N 0 0 313.405 2.885 40 0 DFABRN Cc1cc([C@@H]2CN(C(=O)c3cc(C(C)C)no3)CCO2)ccn1 ZINC000257222049 427314281 /nfs/dbraw/zinc/31/42/81/427314281.db2.gz DRRDSUUHABWTLT-INIZCTEOSA-N 0 0 315.373 2.715 40 0 DFABRN Cc1cc(C[C@H]2CC[C@@H]3CN(c4cc(C)ncn4)C[C@H]23)ncn1 ZINC000257215430 427314961 /nfs/dbraw/zinc/31/49/61/427314961.db2.gz CQBRVXQHCMVEMD-BFYDXBDKSA-N 0 0 309.417 2.589 40 0 DFABRN O=C(c1cnc(C2CC2)nc1)N1CCC[C@H](Cc2cccnc2)C1 ZINC000257230127 427317776 /nfs/dbraw/zinc/31/77/76/427317776.db2.gz GAXZXZVYAZHSQN-OAHLLOKOSA-N 0 0 322.412 2.844 40 0 DFABRN Cc1c[nH]c([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000257223532 427318332 /nfs/dbraw/zinc/31/83/32/427318332.db2.gz DXUKGTHYTLWPAW-ZDUSSCGKSA-N 0 0 317.364 2.642 40 0 DFABRN Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 ZINC000257239341 427320193 /nfs/dbraw/zinc/32/01/93/427320193.db2.gz HOVZOLZPOSCQHG-QGZVFWFLSA-N 0 0 307.397 2.903 40 0 DFABRN O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@H](c2nccs2)C1 ZINC000257238223 427320726 /nfs/dbraw/zinc/32/07/26/427320726.db2.gz HKAVQPKFZNJUOM-VIFPVBQESA-N 0 0 323.805 2.917 40 0 DFABRN Cc1c[nH]nc1[C@@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC000257244758 427321958 /nfs/dbraw/zinc/32/19/58/427321958.db2.gz IMQUMNQFLPOELC-GFCCVEGCSA-N 0 0 301.415 2.898 40 0 DFABRN O=C(N1CCC[C@@H](Cc2cc[nH]n2)C1)C1(c2ccccc2)CC1 ZINC000257240396 427322022 /nfs/dbraw/zinc/32/20/22/427322022.db2.gz HTGIALFCPKWNPX-HNNXBMFYSA-N 0 0 309.413 2.923 40 0 DFABRN c1c[nH]c(-c2cncc([C@@H]3CCCN3Cc3cccnc3)n2)n1 ZINC000257235999 427322094 /nfs/dbraw/zinc/32/20/94/427322094.db2.gz HAKQJINFKPNLMP-INIZCTEOSA-N 0 0 306.373 2.599 40 0 DFABRN CO[C@H]1CCCOC12CC[NH+](Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000257250873 427323182 /nfs/dbraw/zinc/32/31/82/427323182.db2.gz JOJPVIXGIZRRPR-INIZCTEOSA-N 0 0 319.401 2.545 40 0 DFABRN CCCn1nc(C)c(C(=O)N2CC[C@@H](c3nc(C)c[nH]3)C2)c1C ZINC000257257748 427324827 /nfs/dbraw/zinc/32/48/27/427324827.db2.gz KQXDNDYCJNEGPH-CQSZACIVSA-N 0 0 315.421 2.571 40 0 DFABRN CCOCC(=O)N1C[C@@H]2CC[C@H](Oc3ccccc3Cl)[C@@H]2C1 ZINC000257252312 427325079 /nfs/dbraw/zinc/32/50/79/427325079.db2.gz JUIVAYLQKLMWSW-GUTXKFCHSA-N 0 0 323.820 2.992 40 0 DFABRN CC(=O)N1CC[C@@H](Cc2ccnc(-c3ccnn3C(C)C)c2)C1 ZINC000257250305 427325102 /nfs/dbraw/zinc/32/51/02/427325102.db2.gz JLZITAKJFZZSAV-INIZCTEOSA-N 0 0 312.417 2.937 40 0 DFABRN Cc1c[nH]nc1[C@@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000257251543 427325398 /nfs/dbraw/zinc/32/53/98/427325398.db2.gz JREGSDCCIFCMRH-CQSZACIVSA-N 0 0 306.369 2.896 40 0 DFABRN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN1Cc1cccc(F)c1 ZINC000257259299 427326863 /nfs/dbraw/zinc/32/68/63/427326863.db2.gz KXSMJDJWOXPXTB-HNNXBMFYSA-N 0 0 316.380 2.588 40 0 DFABRN CCn1cc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)c(C)n1 ZINC000257263464 427328157 /nfs/dbraw/zinc/32/81/57/427328157.db2.gz LQAKXYBGIBRMCB-ZDUSSCGKSA-N 0 0 318.446 2.996 40 0 DFABRN Cc1cncc([C@@H]2CCCN2C(=O)CCOc2ccccc2)n1 ZINC000257261717 427328340 /nfs/dbraw/zinc/32/83/40/427328340.db2.gz LINQBHNQPSQZND-KRWDZBQOSA-N 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/nfs/dbraw/zinc/25/19/10/426251910.db2.gz PUCZQOQZSXTFCH-CQSZACIVSA-N 0 0 303.358 2.722 40 0 DFABRN O=S(=O)(NCc1nc(-c2ccccc2)c[nH]1)c1cccs1 ZINC000085557905 426252476 /nfs/dbraw/zinc/25/24/76/426252476.db2.gz ILMXNKPUYRFXTG-UHFFFAOYSA-N 0 0 319.411 2.617 40 0 DFABRN Cc1cc([C@@H](O)CCNC(=O)NCc2ccc(F)cc2)c(C)o1 ZINC000085562067 426252505 /nfs/dbraw/zinc/25/25/05/426252505.db2.gz ICIWUIPVEJTREZ-INIZCTEOSA-N 0 0 320.364 2.958 40 0 DFABRN COCCNC(=O)N1CCC(CSCc2ccco2)CC1 ZINC000085472496 426252569 /nfs/dbraw/zinc/25/25/69/426252569.db2.gz UXVKKDDJZRVJSR-UHFFFAOYSA-N 0 0 312.435 2.581 40 0 DFABRN Cc1c(Br)ccc2nc(NC(=O)C(F)(F)F)cn21 ZINC000144539858 426258863 /nfs/dbraw/zinc/25/88/63/426258863.db2.gz CEWMQZKTQYSJIX-UHFFFAOYSA-N 0 0 322.084 2.906 40 0 DFABRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000175722317 426322655 /nfs/dbraw/zinc/32/26/55/426322655.db2.gz OFSOWCXNPLIRAF-OAHLLOKOSA-N 0 0 319.401 2.564 40 0 DFABRN CC(C)OCc1ncn2c1CN(Cc1ccncc1)CCC2 ZINC000096059051 426394380 /nfs/dbraw/zinc/39/43/80/426394380.db2.gz KWAGPKVEWVOZIY-UHFFFAOYSA-N 0 0 300.406 2.609 40 0 DFABRN c1nc(COCC2CC2)c2n1CCCN(Cc1ccncc1)C2 ZINC000096059024 426394486 /nfs/dbraw/zinc/39/44/86/426394486.db2.gz LTVRXOVRFPHJDX-UHFFFAOYSA-N 0 0 312.417 2.611 40 0 DFABRN COC[C@H]1CN(Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 ZINC000096060273 426394499 /nfs/dbraw/zinc/39/44/99/426394499.db2.gz LBLRKDNVYDPLBH-OAHLLOKOSA-N 0 0 315.417 2.940 40 0 DFABRN CC(C)OCc1nn(C)c2c1CCN(Cc1cccs1)C2 ZINC000096058970 426395302 /nfs/dbraw/zinc/39/53/02/426395302.db2.gz LJAZOJYERCFORH-UHFFFAOYSA-N 0 0 305.447 2.965 40 0 DFABRN c1coc(CN2CCCn3cnc(COc4cccnc4)c3C2)c1 ZINC000096085068 426395740 /nfs/dbraw/zinc/39/57/40/426395740.db2.gz CVSJMFVUUQQCHU-UHFFFAOYSA-N 0 0 324.384 2.856 40 0 DFABRN c1cncc(NC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2cccnc2)c1 ZINC000096082599 426396039 /nfs/dbraw/zinc/39/60/39/426396039.db2.gz RGCYLAWTYADCOF-JCGIZDLHSA-N 0 0 310.401 2.573 40 0 DFABRN COCc1cnc2n1CCN(C(=O)CC1=CCCCC1)[C@H]2C ZINC000096109603 426399443 /nfs/dbraw/zinc/39/94/43/426399443.db2.gz AKHXIIMAWVJAAU-ZDUSSCGKSA-N 0 0 303.406 2.823 40 0 DFABRN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1cccs1)C2 ZINC000096111923 426399459 /nfs/dbraw/zinc/39/94/59/426399459.db2.gz VULQWMQAWIELDR-WFASDCNBSA-N 0 0 314.410 2.746 40 0 biogenic,in-vitro DFABRN O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccccc1 ZINC000096112439 426399546 /nfs/dbraw/zinc/39/95/46/426399546.db2.gz QGPGAQNOYOXEAS-AWEZNQCLSA-N 0 0 307.353 2.538 40 0 biogenic,in-vitro DFABRN c1cc2n(n1)C[C@@H](COCC1CC1)CN(Cc1ccoc1)C2 ZINC000096189086 426404360 /nfs/dbraw/zinc/40/43/60/426404360.db2.gz RXKLMBXKXMPDQY-INIZCTEOSA-N 0 0 301.390 2.535 40 0 DFABRN COc1ccc(-c2nnc([C@H](N)c3ccccc3)[nH]2)cc1OC ZINC000095533452 426374184 /nfs/dbraw/zinc/37/41/84/426374184.db2.gz ZXNDXRSAECYHIE-OAHLLOKOSA-N 0 0 310.357 2.537 40 0 DFABRN C[C@]12CC(=O)[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000095869821 426374531 /nfs/dbraw/zinc/37/45/31/426374531.db2.gz SSQBIAASJLLCNA-MOBHRDKOSA-N 0 0 304.430 2.850 40 0 DFABRN O=C(c1ccoc1)N1CCC2(CN(Cc3ccc(F)cc3)C2)C1 ZINC000096202713 426406453 /nfs/dbraw/zinc/40/64/53/426406453.db2.gz YCMHVHSTAPLPMV-UHFFFAOYSA-N 0 0 314.360 2.767 40 0 DFABRN CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)[nH]c1C)C2 ZINC000096039467 426388917 /nfs/dbraw/zinc/38/89/17/426388917.db2.gz BADKSTCELMBBIQ-SJLPKXTDSA-N 0 0 320.433 2.679 40 0 DFABRN CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccsc1)C2 ZINC000096039344 426389639 /nfs/dbraw/zinc/38/96/39/426389639.db2.gz QGRVUJFTQLOBQC-HOCLYGCPSA-N 0 0 309.431 2.796 40 0 DFABRN COc1cccc(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096041599 426390214 /nfs/dbraw/zinc/39/02/14/426390214.db2.gz SCWSXQPOYGGTBP-IPMKNSEASA-N 0 0 317.429 2.854 40 0 DFABRN Cc1nc(CN2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)cs1 ZINC000096046117 426390791 /nfs/dbraw/zinc/39/07/91/426390791.db2.gz ZXXYQWBPNNBAOV-APHBMKBZSA-N 0 0 316.430 2.594 40 0 DFABRN Cc1ccsc1C(=O)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC000096041596 426390905 /nfs/dbraw/zinc/39/09/05/426390905.db2.gz AQYFTZOVZMNAGE-RRFJBIMHSA-N 0 0 321.442 2.855 40 0 DFABRN COC[C@H]1CN(Cc2ccoc2)Cc2ncn(CC3CC3)c21 ZINC000096045051 426391297 /nfs/dbraw/zinc/39/12/97/426391297.db2.gz LFAIDYBXGOAKMM-OAHLLOKOSA-N 0 0 301.390 2.632 40 0 DFABRN Fc1ccc(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1 ZINC000096057887 426393015 /nfs/dbraw/zinc/39/30/15/426393015.db2.gz VBIDCZUKVXTXLX-RCCFBDPRSA-N 0 0 305.393 2.984 40 0 DFABRN CCOC[C@@H]1CCC[C@]12CN(C(=O)c1ccc(C)o1)CCO2 ZINC000096063538 426393959 /nfs/dbraw/zinc/39/39/59/426393959.db2.gz BXKQTPWHFSJEMP-YOEHRIQHSA-N 0 0 307.390 2.636 40 0 DFABRN Cc1nc([C@@H]2COCCN2Cc2ccc3c(c2)OCO3)cs1 ZINC000096220496 426408646 /nfs/dbraw/zinc/40/86/46/426408646.db2.gz CEBTVMJYAVKIDY-AWEZNQCLSA-N 0 0 318.398 2.754 40 0 DFABRN c1coc(CNc2ccnc([C@H]3COCCN3C3CCC3)n2)c1 ZINC000096220180 426408664 /nfs/dbraw/zinc/40/86/64/426408664.db2.gz XTOXSCDVXXWHGU-OAHLLOKOSA-N 0 0 314.389 2.608 40 0 DFABRN Cc1ccc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1F ZINC000096229719 426409743 /nfs/dbraw/zinc/40/97/43/426409743.db2.gz ZJOBUWPLAUAYJS-SFHVURJKSA-N 0 0 318.392 2.751 40 0 DFABRN CCc1ncnc2c1CCN(C(=O)c1sccc1C)CC2 ZINC000096255044 426411187 /nfs/dbraw/zinc/41/11/87/426411187.db2.gz REXAOUSLWDYRHD-UHFFFAOYSA-N 0 0 301.415 2.650 40 0 DFABRN C[C@H]1OCC[C@H]1[S@@](=O)Cc1csc(-c2ccccn2)n1 ZINC000096483987 426434453 /nfs/dbraw/zinc/43/44/53/426434453.db2.gz FEYNKBZKVIZKDC-REWMRKHYSA-N 0 0 308.428 2.631 40 0 DFABRN CS(=O)(=O)c1snnc1-c1ccc(Cl)cc1Cl ZINC000096525404 426439220 /nfs/dbraw/zinc/43/92/20/426439220.db2.gz ZYNGKSCNLUUIRM-UHFFFAOYSA-N 0 0 309.199 2.915 40 0 DFABRN Cc1noc2ncnc(N3CCO[C@H](c4ccccc4F)C3)c12 ZINC000195512944 426532969 /nfs/dbraw/zinc/53/29/69/426532969.db2.gz CBCDMHVQJLOTFB-ZDUSSCGKSA-N 0 0 314.320 2.643 40 0 DFABRN COC(=O)c1cc(NC(=O)N2CCC[C@@H]2C2CCC2)cn1C ZINC000195539046 426536336 /nfs/dbraw/zinc/53/63/36/426536336.db2.gz SVCVBHGUROBQKX-CYBMUJFWSA-N 0 0 305.378 2.608 40 0 DFABRN O=C(NC[C@H]1CCCS1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000195545611 426538504 /nfs/dbraw/zinc/53/85/04/426538504.db2.gz TWPLVHVMIHZSEW-RQJABVFESA-N 0 0 310.463 2.529 40 0 DFABRN CC(C)c1cc(=O)n(Cc2nnc(-c3ccccc3)s2)cn1 ZINC000195565519 426539384 /nfs/dbraw/zinc/53/93/84/426539384.db2.gz QUCVOHWBEHONOM-UHFFFAOYSA-N 0 0 312.398 2.934 40 0 DFABRN CC(C)CS(=O)(=O)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000195580422 426541183 /nfs/dbraw/zinc/54/11/83/426541183.db2.gz PBJQPBTYBGIIKX-UHFFFAOYSA-N 0 0 314.357 2.721 40 0 DFABRN Fc1cccc2c(N3CCO[C@@H]([C@@H]4CCCO4)C3)ccnc12 ZINC000195578629 426541709 /nfs/dbraw/zinc/54/17/09/426541709.db2.gz KHWJXVRMQPUVCO-JKSUJKDBSA-N 0 0 302.349 2.758 40 0 DFABRN O=C(Nc1n[nH]c(C2CCC2)n1)c1ncsc1C(F)(F)F ZINC000280341509 426553501 /nfs/dbraw/zinc/55/35/01/426553501.db2.gz QAUZNPLCMYATNT-UHFFFAOYSA-N 0 0 317.296 2.800 40 0 DFABRN COc1ccc(CC(=O)N(C)[C@@H](C)c2ccccn2)cc1F ZINC000194722637 426491233 /nfs/dbraw/zinc/49/12/33/426491233.db2.gz AOPAUIGEHXNZEY-LBPRGKRZSA-N 0 0 302.349 2.991 40 0 DFABRN CC(C)n1c(Cl)nc2cc(C(=O)N[C@@H](C)CCO)ccc21 ZINC000222539393 426583766 /nfs/dbraw/zinc/58/37/66/426583766.db2.gz FKWQRRZOVBQFAP-JTQLQIEISA-N 0 0 309.797 2.771 40 0 DFABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 ZINC000222992349 426586571 /nfs/dbraw/zinc/58/65/71/426586571.db2.gz AITFAYLYCGAUIJ-ZIAGYGMSSA-N 0 0 319.455 2.762 40 0 DFABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000223092319 426587481 /nfs/dbraw/zinc/58/74/81/426587481.db2.gz VPHCCUMLBCQGSI-ZDUSSCGKSA-N 0 0 320.433 2.737 40 0 DFABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1C ZINC000223721570 426588831 /nfs/dbraw/zinc/58/88/31/426588831.db2.gz FWMUPQHSPYEGSU-UHFFFAOYSA-N 0 0 323.389 2.963 40 0 DFABRN CCC(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000224267814 426593721 /nfs/dbraw/zinc/59/37/21/426593721.db2.gz YHOXLKOGNYMOIE-UHFFFAOYSA-N 0 0 324.178 2.868 40 0 DFABRN COc1ccc(-c2cnc(CCC(=O)NC(C)C)o2)c(OC)c1 ZINC000224864635 426595408 /nfs/dbraw/zinc/59/54/08/426595408.db2.gz GPGXLWPTFUFXPD-UHFFFAOYSA-N 0 0 318.373 2.816 40 0 DFABRN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000225144412 426595462 /nfs/dbraw/zinc/59/54/62/426595462.db2.gz KKEZOEJIONSHLO-UHFFFAOYSA-N 0 0 319.382 2.973 40 0 DFABRN COc1ccc(OC)c(N(C)S(=O)(=O)c2cccs2)c1 ZINC000225126508 426595870 /nfs/dbraw/zinc/59/58/70/426595870.db2.gz DJECYKBWQLNDCS-UHFFFAOYSA-N 0 0 313.400 2.590 40 0 DFABRN COC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000225145096 426596056 /nfs/dbraw/zinc/59/60/56/426596056.db2.gz CEABRLRNVDGFHP-UHFFFAOYSA-N 0 0 319.382 2.607 40 0 DFABRN COc1ccc(NC(=S)NC[C@@H]2CCCO2)c2cccnc12 ZINC000225319734 426596935 /nfs/dbraw/zinc/59/69/35/426596935.db2.gz QYAZBLUIFMUNHI-NSHDSACASA-N 0 0 317.414 2.709 40 0 DFABRN CC(C)[C@@H](C)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000225230970 426596957 /nfs/dbraw/zinc/59/69/57/426596957.db2.gz JZFWCDVAMLAIQD-SNVBAGLBSA-N 0 0 320.252 2.913 40 0 DFABRN COc1cc2c(cc1S(=O)(=O)N[C@H](C)C(C)C)CCCC2 ZINC000225233913 426598163 /nfs/dbraw/zinc/59/81/63/426598163.db2.gz MNPVWSNTKLKVAS-GFCCVEGCSA-N 0 0 311.447 2.897 40 0 DFABRN CC[C@@H](NC(=O)c1cccnc1)c1ccc(OC)c(OC)c1 ZINC000225432074 426599499 /nfs/dbraw/zinc/59/94/99/426599499.db2.gz JCHVVKZQDJRKOH-CQSZACIVSA-N 0 0 300.358 2.980 40 0 DFABRN COc1ccccc1OC[C@H](C)NC(=O)Cc1ccccc1F ZINC000225450803 426602203 /nfs/dbraw/zinc/60/22/03/426602203.db2.gz JIQIEZAFOYNXHJ-ZDUSSCGKSA-N 0 0 317.360 2.961 40 0 DFABRN COc1ccccc1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000225719278 426609416 /nfs/dbraw/zinc/60/94/16/426609416.db2.gz DNAZUQIMEBKVLK-UHFFFAOYSA-N 0 0 308.337 2.649 40 0 DFABRN COc1cccc(NC(=O)Cn2ccc(=O)c3ccccc32)c1 ZINC000225719317 426610022 /nfs/dbraw/zinc/61/00/22/426610022.db2.gz ZBJRUNRMFGCKHS-UHFFFAOYSA-N 0 0 308.337 2.649 40 0 DFABRN CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OC)ccc1OC ZINC000225790570 426612549 /nfs/dbraw/zinc/61/25/49/426612549.db2.gz DQQAEANKIXTTAF-MRXNPFEDSA-N 0 0 309.362 2.626 40 0 DFABRN O=C(Cn1ccc(=O)c2cc(F)ccc21)N1CCCCCC1 ZINC000225751795 426612878 /nfs/dbraw/zinc/61/28/78/426612878.db2.gz JPUHQHPQWAGNOF-UHFFFAOYSA-N 0 0 302.349 2.543 40 0 DFABRN 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/nfs/dbraw/zinc/19/79/88/426197988.db2.gz QISCCKFLSHMFSA-UHFFFAOYSA-N 0 0 319.211 2.840 40 0 DFABRN COCCn1nc(C)c(NC(=O)CCc2ccc(C)o2)c1C ZINC000079657292 426199703 /nfs/dbraw/zinc/19/97/03/426199703.db2.gz SGAALJUBJGGIGT-UHFFFAOYSA-N 0 0 305.378 2.619 40 0 DFABRN COC(=O)[C@H](C)[C@H](NCc1c(C)noc1C)c1ccccc1 ZINC000079922820 426206670 /nfs/dbraw/zinc/20/66/70/426206670.db2.gz YOSKVEKFFYOLOU-BZNIZROVSA-N 0 0 302.374 2.931 40 0 DFABRN Cc1nc(C)c(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000084090872 426231503 /nfs/dbraw/zinc/23/15/03/426231503.db2.gz BCNAIMLASQAXKQ-JSGCOSHPSA-N 0 0 316.492 2.548 40 0 DFABRN CO[C@H](C(=O)N1CCC[C@@H](c2cc(C)n[nH]2)C1)c1ccccc1 ZINC000084110153 426232493 /nfs/dbraw/zinc/23/24/93/426232493.db2.gz MTWQJHFKQQSTLB-WBVHZDCISA-N 0 0 313.401 2.812 40 0 DFABRN CO[C@H](C(=O)N1CCC[C@H](c2cc(C)n[nH]2)C1)c1ccccc1 ZINC000084110155 426233196 /nfs/dbraw/zinc/23/31/96/426233196.db2.gz MTWQJHFKQQSTLB-RDJZCZTQSA-N 0 0 313.401 2.812 40 0 DFABRN O=C(Nc1c(F)cccc1Br)[C@@H]1CCCOC1 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NC(=O)Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000046294942 542440861 /nfs/dbraw/zinc/44/08/61/542440861.db2.gz ZYUCOKDKXPDTGJ-UHFFFAOYSA-N 0 0 321.336 2.622 40 0 DFABRN NC(=O)c1nccnc1C(=O)Nc1cccc(-c2ccsc2)c1 ZINC000081326007 542494254 /nfs/dbraw/zinc/49/42/54/542494254.db2.gz ZTHAMZIRVQNWTA-UHFFFAOYSA-N 0 0 324.365 2.556 40 0 DFABRN Cc1cccc(C)c1OC[C@H](C)NC(=O)NCc1ccon1 ZINC000083197796 542501829 /nfs/dbraw/zinc/50/18/29/542501829.db2.gz PYZTUPUMXAZFNV-ZDUSSCGKSA-N 0 0 303.362 2.558 40 0 DFABRN O=C(CO[C@H]1CCOC1)N1CC2(CCCC2)c2ccccc21 ZINC000081578312 542497568 /nfs/dbraw/zinc/49/75/68/542497568.db2.gz YSZZDPULTCMBGB-AWEZNQCLSA-N 0 0 301.386 2.651 40 0 DFABRN CCOC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)N(CC)CC3)C1 ZINC000081624452 542497807 /nfs/dbraw/zinc/49/78/07/542497807.db2.gz BWXPRXWWWSSQOR-CQSZACIVSA-N 0 0 317.433 2.959 40 0 DFABRN COc1ccc(CCCC(=O)NC[C@H]2CCCC[C@H]2O)cc1F ZINC000084606369 542511987 /nfs/dbraw/zinc/51/19/87/542511987.db2.gz VNKOFYRKAHZRSS-GDBMZVCRSA-N 0 0 323.408 2.824 40 0 DFABRN CCc1noc(CN2CC[C@H](c3cc(OC)cc(OC)c3)C2)n1 ZINC000083402969 542502951 /nfs/dbraw/zinc/50/29/51/542502951.db2.gz QXYCRGCNJZVIPS-LBPRGKRZSA-N 0 0 317.389 2.639 40 0 DFABRN CC(=O)N[C@H](C)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000083967490 542504280 /nfs/dbraw/zinc/50/42/80/542504280.db2.gz ALJDJOVDOCHEMO-CQSZACIVSA-N 0 0 310.397 2.537 40 0 DFABRN C[C@@H](C(=O)NCCn1cccc1)n1ccnc1-c1ccccc1 ZINC000083967519 542504495 /nfs/dbraw/zinc/50/44/95/542504495.db2.gz IESMPBDLVZBUFQ-HNNXBMFYSA-N 0 0 308.385 2.729 40 0 DFABRN CN(CC1CC1)C(=O)c1nnn(-c2cccc(F)c2)c1C1CC1 ZINC000083859076 542504526 /nfs/dbraw/zinc/50/45/26/542504526.db2.gz LUWXZXBNMJGAEM-UHFFFAOYSA-N 0 0 314.364 2.766 40 0 DFABRN Cc1[nH]c(=O)ccc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000084028824 542505030 /nfs/dbraw/zinc/50/50/30/542505030.db2.gz SQHZYPSBJAXBHN-UHFFFAOYSA-N 0 0 322.817 2.859 40 0 DFABRN Cc1nn2cccnc2c1C(=O)N[C@@H](C)Cc1ccc(F)cc1 ZINC000084028283 542505118 /nfs/dbraw/zinc/50/51/18/542505118.db2.gz ALLQSAARBZYMOB-NSHDSACASA-N 0 0 312.348 2.538 40 0 DFABRN Cc1c(Cl)cccc1NNC(=O)NCc1nc(C2CC2)no1 ZINC000084041148 542505302 /nfs/dbraw/zinc/50/53/02/542505302.db2.gz MNTKEFHPYIPIBF-UHFFFAOYSA-N 0 0 321.768 2.735 40 0 DFABRN Cc1cc(C(=O)N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)no1 ZINC000084116951 542506034 /nfs/dbraw/zinc/50/60/34/542506034.db2.gz FFBAHHBVKQNVMQ-ISVAXAHUSA-N 0 0 312.728 2.627 40 0 DFABRN Cc1cc(C)n([C@H]2CCCN(C(=O)c3cccn4ccnc34)C2)n1 ZINC000084101954 542506407 /nfs/dbraw/zinc/50/64/07/542506407.db2.gz QIKQWTIMZBIYCI-HNNXBMFYSA-N 0 0 323.400 2.625 40 0 DFABRN Cc1ccc(CC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)cn1 ZINC000084191212 542506695 /nfs/dbraw/zinc/50/66/95/542506695.db2.gz UNGQISXKEDTKDY-CQSZACIVSA-N 0 0 312.373 2.557 40 0 DFABRN COC(=O)[C@@H](C)N(Cc1nnc(-c2cccc(C)c2)o1)C1CC1 ZINC000084213220 542506719 /nfs/dbraw/zinc/50/67/19/542506719.db2.gz DIRASPRZMRHSKX-GFCCVEGCSA-N 0 0 315.373 2.571 40 0 DFABRN Cc1ccc(OCCCC(=O)N[C@H]2CCC[C@@H]2CO)cc1C ZINC000084180737 542507162 /nfs/dbraw/zinc/50/71/62/542507162.db2.gz 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/nfs/dbraw/zinc/59/76/20/256597620.db2.gz GFCLQAFJZMVQBF-LBPRGKRZSA-N 0 0 307.467 2.859 40 0 DFABRN Cc1cc(C)nc([C@@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 ZINC000257272235 256621183 /nfs/dbraw/zinc/62/11/83/256621183.db2.gz NBOUMWCDMLIXOR-CQSZACIVSA-N 0 0 321.384 2.599 40 0 DFABRN CCCOC(=O)c1cc(I)ccc1F ZINC000084756673 542514043 /nfs/dbraw/zinc/51/40/43/542514043.db2.gz JUBORNUGNDDSST-UHFFFAOYSA-N 0 0 308.090 2.997 40 0 DFABRN CCCc1cc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)[nH]n1 ZINC000084758830 542514229 /nfs/dbraw/zinc/51/42/29/542514229.db2.gz OWZJSMZLUGRTMU-ZDUSSCGKSA-N 0 0 315.377 2.600 40 0 DFABRN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2csc(C)n2)C12CCC2 ZINC000084800756 542515284 /nfs/dbraw/zinc/51/52/84/542515284.db2.gz FDGBSDJWCHDGEL-ZIAGYGMSSA-N 0 0 323.462 2.941 40 0 DFABRN COc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2cccc(Cl)c2)c1 ZINC000072227751 257122377 /nfs/dbraw/zinc/12/23/77/257122377.db2.gz UIHPIQIYRYEZAA-GJZGRUSLSA-N 0 0 302.761 2.764 40 0 DFABRN COc1cccc(N2C(=O)[C@H](N)[C@H]2c2cccc(Cl)c2)c1 ZINC000072227752 257122394 /nfs/dbraw/zinc/12/23/94/257122394.db2.gz UIHPIQIYRYEZAA-HUUCEWRRSA-N 0 0 302.761 2.764 40 0 DFABRN N[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000072227348 257122440 /nfs/dbraw/zinc/12/24/40/257122440.db2.gz HEIHGSLMAMKPIP-ZIAGYGMSSA-N 0 0 317.186 2.864 40 0 DFABRN COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2F)cc1Cl ZINC000072227929 257122568 /nfs/dbraw/zinc/12/25/68/257122568.db2.gz QUNXBYSPIATUPI-CABCVRRESA-N 0 0 320.751 2.903 40 0 DFABRN COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000072227170 257122852 /nfs/dbraw/zinc/12/28/52/257122852.db2.gz XCYDIISJCCIXMU-LSDHHAIUSA-N 0 0 302.761 2.764 40 0 DFABRN COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000072227948 257122951 /nfs/dbraw/zinc/12/29/51/257122951.db2.gz ZTVQYHBQBXNFJP-HUUCEWRRSA-N 0 0 302.761 2.764 40 0 DFABRN Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1[C@H](C)O ZINC000072223654 257123215 /nfs/dbraw/zinc/12/32/15/257123215.db2.gz WWRBFORTPAYRAK-ZDUSSCGKSA-N 0 0 321.421 2.500 40 0 DFABRN Cc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cnc1N(C)C ZINC000072218604 257124830 /nfs/dbraw/zinc/12/48/30/257124830.db2.gz OXTOLSVWLKUBTH-UHFFFAOYSA-N 0 0 321.421 2.944 40 0 DFABRN Cc1cc(=O)[nH]cc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072218180 257125359 /nfs/dbraw/zinc/12/53/59/257125359.db2.gz GILOWSXRFVESCX-UHFFFAOYSA-N 0 0 308.378 2.561 40 0 DFABRN CCOc1ncccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072211823 257127455 /nfs/dbraw/zinc/12/74/55/257127455.db2.gz OIDISDKKRAUOPZ-UHFFFAOYSA-N 0 0 308.378 2.968 40 0 DFABRN CN(c1ccccc1)S(=O)(=O)c1c[nH]cc(Cl)c1=S ZINC000072210745 257128432 /nfs/dbraw/zinc/12/84/32/257128432.db2.gz GVPLBLKPSKHLCK-UHFFFAOYSA-N 0 0 314.819 2.849 40 0 DFABRN COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(C)cc2)n1 ZINC000047339170 257128977 /nfs/dbraw/zinc/12/89/77/257128977.db2.gz FCVMTDVGCDDLBF-BQYQJAHWSA-N 0 0 316.382 2.819 40 0 DFABRN CCOC(=O)c1cnc2cc(OCc3ccccc3)nn2c1C ZINC000038781660 257129416 /nfs/dbraw/zinc/12/94/16/257129416.db2.gz QDCRIQBGIMDTGZ-UHFFFAOYSA-N 0 0 311.341 2.793 40 0 DFABRN COC(=O)c1conc1[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000504665921 257141372 /nfs/dbraw/zinc/14/13/72/257141372.db2.gz DMUHOBKOHQAMNP-NSHDSACASA-N 0 0 301.220 2.562 40 0 DFABRN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000007053815 257218445 /nfs/dbraw/zinc/21/84/45/257218445.db2.gz YJAIDMCCPAEKEJ-UHFFFAOYSA-N 0 0 319.382 2.891 40 0 DFABRN COCCN1C(=O)S/C(=C/c2ccc(C)c(OC)c2)C1=O ZINC000409217074 257220749 /nfs/dbraw/zinc/22/07/49/257220749.db2.gz NSVBJAAOCBFINC-UKTHLTGXSA-N 0 0 307.371 2.686 40 0 DFABRN COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000409198204 257221490 /nfs/dbraw/zinc/22/14/90/257221490.db2.gz ZRDUDQWSXWFRLN-LFIBNONCSA-N 0 0 308.337 2.788 40 0 DFABRN COCCN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O ZINC000409130729 257221593 /nfs/dbraw/zinc/22/15/93/257221593.db2.gz UMKQJWVAAHYSPX-NTEUORMPSA-N 0 0 316.382 2.861 40 0 DFABRN CC(C)C1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(F)cc2)N1 ZINC000409068291 257223522 /nfs/dbraw/zinc/22/35/22/257223522.db2.gz LFUNMZNLEYDIIM-CYBMUJFWSA-N 0 0 318.270 2.935 40 0 DFABRN O=C(c1ccc2cnncc2c1)N1CCN(c2ccccc2)CC1 ZINC000408977783 257224651 /nfs/dbraw/zinc/22/46/51/257224651.db2.gz JYOTULJXLGJRRY-UHFFFAOYSA-N 0 0 318.380 2.592 40 0 DFABRN CNC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408975684 257224753 /nfs/dbraw/zinc/22/47/53/257224753.db2.gz CBTMSMADEDDOAD-UHFFFAOYSA-N 0 0 317.352 2.980 40 0 DFABRN C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000408996776 257224850 /nfs/dbraw/zinc/22/48/50/257224850.db2.gz ANZGXEQAWXICII-KCQAQPDRSA-N 0 0 304.390 2.858 40 0 DFABRN O=C(NC(=O)c1ccccc1)Nc1nnc(C(F)(F)F)s1 ZINC000408718418 257227806 /nfs/dbraw/zinc/22/78/06/257227806.db2.gz WYCOBHKVWUUZGU-UHFFFAOYSA-N 0 0 316.264 2.519 40 0 DFABRN NN=c1[nH]c2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl ZINC000408712872 257228076 /nfs/dbraw/zinc/22/80/76/257228076.db2.gz YGQWSNMTQPSVPZ-UHFFFAOYSA-N 0 0 321.167 2.978 40 0 DFABRN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 ZINC000408708636 257228107 /nfs/dbraw/zinc/22/81/07/257228107.db2.gz 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/nfs/dbraw/zinc/05/98/00/426059800.db2.gz BXLZSDOZCPITGQ-UHFFFAOYSA-N 0 0 303.333 2.920 40 0 DFABRN Cc1ccc(C2=NO[C@@H]3CN(Cc4ccncc4C)C[C@@H]23)cc1 ZINC000072343278 426015036 /nfs/dbraw/zinc/01/50/36/426015036.db2.gz VKNIUXSAIYILOP-QZTJIDSGSA-N 0 0 307.397 2.933 40 0 DFABRN CCCc1ncc(CN2C[C@@H]3C(c4ccccc4)=NO[C@@H]3C2)cn1 ZINC000072343312 426015959 /nfs/dbraw/zinc/01/59/59/426015959.db2.gz ZXLVXWKCINQVTC-DLBZAZTESA-N 0 0 322.412 2.664 40 0 DFABRN COCCCNC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 ZINC000170564459 426137940 /nfs/dbraw/zinc/13/79/40/426137940.db2.gz YRTPNHBDBLKIKE-UHFFFAOYSA-N 0 0 314.389 2.603 40 0 DFABRN C[C@H]1Cc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2N1 ZINC000078404023 426168596 /nfs/dbraw/zinc/16/85/96/426168596.db2.gz VMFROJPLBZZJSH-ZDUSSCGKSA-N 0 0 316.426 2.864 40 0 DFABRN Nc1nccnc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000078646733 426179852 /nfs/dbraw/zinc/17/98/52/426179852.db2.gz FNYJWSLXAWRVLH-UHFFFAOYSA-N 0 0 318.336 2.542 40 0 DFABRN O=C(NC[C@H](O)c1ccco1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000078701878 426181770 /nfs/dbraw/zinc/18/17/70/426181770.db2.gz FFBGAGSLRDHMJF-OBJOEFQTSA-N 0 0 305.761 2.886 40 0 DFABRN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccc(F)c1 ZINC000078725815 426182107 /nfs/dbraw/zinc/18/21/07/426182107.db2.gz ZWQSRULGLWYMES-MRXNPFEDSA-N 0 0 312.344 2.751 40 0 DFABRN COc1ccc([C@@H]2CCN(CC(=O)Nc3ccncc3)C2)cc1 ZINC000078737247 426183326 /nfs/dbraw/zinc/18/33/26/426183326.db2.gz OSXJFPDYRYWBAI-OAHLLOKOSA-N 0 0 311.385 2.518 40 0 DFABRN COc1cccc(CNC(=O)c2ccccc2-c2nc(C)no2)c1 ZINC000078876921 426187804 /nfs/dbraw/zinc/18/78/04/426187804.db2.gz ICJUAEYLBPDILP-UHFFFAOYSA-N 0 0 323.352 2.984 40 0 DFABRN FC(F)(F)COCCN1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000078890743 426188009 /nfs/dbraw/zinc/18/80/09/426188009.db2.gz WJAHFGVJZDVVCT-LLVKDONJSA-N 0 0 319.327 2.705 40 0 DFABRN C[C@@H]1CC[C@H](CCC(=O)Nc2sccc2C(=O)NC2CC2)O1 ZINC000078949550 426188262 /nfs/dbraw/zinc/18/82/62/426188262.db2.gz FXXCAUOOEZHOJX-ZYHUDNBSSA-N 0 0 322.430 2.927 40 0 DFABRN Cc1nc(NC(=O)c2cc(Br)cn2C(C)C)n[nH]1 ZINC000078932479 426188424 /nfs/dbraw/zinc/18/84/24/426188424.db2.gz ICLLQYXPUAFRFT-UHFFFAOYSA-N 0 0 312.171 2.510 40 0 DFABRN Cc1cccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5)c(=O)[nH]c12 ZINC000079189938 426190371 /nfs/dbraw/zinc/19/03/71/426190371.db2.gz OINQOHJIBRAJMX-UHFFFAOYSA-N 0 0 323.440 2.883 40 0 DFABRN Cc1ccc(CCCC(=O)N2CC(=O)Nc3cccnc32)s1 ZINC000079498477 426195041 /nfs/dbraw/zinc/19/50/41/426195041.db2.gz QLANWKUYEAIYJV-UHFFFAOYSA-N 0 0 315.398 2.760 40 0 DFABRN CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)CCC(C)(C)C ZINC000084169816 426233746 /nfs/dbraw/zinc/23/37/46/426233746.db2.gz SKXOMRQDNDZIAI-UHFFFAOYSA-N 0 0 309.435 2.761 40 0 DFABRN Cc1ccccc1C1(CNC(=O)N2CC[C@]3(CCOC3)C2)CC1 ZINC000084235197 426235216 /nfs/dbraw/zinc/23/52/16/426235216.db2.gz IBXJPOHBFVCLMD-SFHVURJKSA-N 0 0 314.429 2.849 40 0 DFABRN Brc1ccc(NCCCOC[C@@H]2CCCO2)nc1 ZINC000084425383 426237042 /nfs/dbraw/zinc/23/70/42/426237042.db2.gz DUFAXCVUMQDTSV-LBPRGKRZSA-N 0 0 315.211 2.842 40 0 DFABRN O=C(N[C@H]1CCCc2occc21)c1cn(-c2ccccc2)nn1 ZINC000084576697 426240725 /nfs/dbraw/zinc/24/07/25/426240725.db2.gz CREMFZYBMPPQIJ-AWEZNQCLSA-N 0 0 308.341 2.668 40 0 DFABRN C[C@H](CNC(=O)Cc1cccc(O)c1)COCc1ccccc1 ZINC000084638339 426241999 /nfs/dbraw/zinc/24/19/99/426241999.db2.gz ODWHWAPKFABEOP-OAHLLOKOSA-N 0 0 313.397 2.904 40 0 DFABRN CC[C@H](CNC(=O)N1CCC(OC)CC1)Oc1ccccc1C ZINC000084733616 426244475 /nfs/dbraw/zinc/24/44/75/426244475.db2.gz ACJFGBITRHCCJT-OAHLLOKOSA-N 0 0 320.433 2.973 40 0 DFABRN O=C([C@H]1CCC(=O)N1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000084838986 426245021 /nfs/dbraw/zinc/24/50/21/426245021.db2.gz IHCBLVZWLKSTHZ-XXRWXEQKSA-N 0 0 312.413 2.750 40 0 DFABRN COc1ccc(-n2ncc3c2[nH]c(=S)[nH]c3=O)cc1Cl ZINC000085397992 426251056 /nfs/dbraw/zinc/25/10/56/426251056.db2.gz LFXOTDBSSUVIFL-UHFFFAOYSA-N 0 0 308.750 2.846 40 0 DFABRN COC(=O)c1cc2nc(SC)[nH]c2c(Br)c1 ZINC000085388583 426251392 /nfs/dbraw/zinc/25/13/92/426251392.db2.gz VMYWMXKCHVSUAE-UHFFFAOYSA-N 0 0 301.165 2.834 40 0 DFABRN O=C(Nc1nc(C(=O)NCc2ccco2)co1)c1ccsc1 ZINC000085554943 426252147 /nfs/dbraw/zinc/25/21/47/426252147.db2.gz LGDCHDJLNOIPSQ-UHFFFAOYSA-N 0 0 317.326 2.511 40 0 DFABRN Cc1nc(C)c(CNS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000085471016 426252509 /nfs/dbraw/zinc/25/25/09/426252509.db2.gz YHULQVFEBXSBIC-UHFFFAOYSA-N 0 0 322.864 2.953 40 0 DFABRN Cc1cc([C@H](O)CCNC(=O)c2cccc(N(C)C)c2)c(C)o1 ZINC000085561376 426252634 /nfs/dbraw/zinc/25/26/34/426252634.db2.gz OFEWUBCPJHEGQE-QGZVFWFLSA-N 0 0 316.401 2.816 40 0 DFABRN Cc1cc(C(=O)CN2CCOC[C@@H]2C)c(C)n1CC(F)(F)F ZINC000085786152 426254629 /nfs/dbraw/zinc/25/46/29/426254629.db2.gz WOPPHMRISQPWAT-NSHDSACASA-N 0 0 318.339 2.571 40 0 DFABRN CO[C@@H](C)c1cccc(NCC(=O)Nc2c(C)nn(C)c2C)c1 ZINC000086205436 426256437 /nfs/dbraw/zinc/25/64/37/426256437.db2.gz KLJXRRDZMQTLTQ-ZDUSSCGKSA-N 0 0 316.405 2.795 40 0 DFABRN COc1ccc(Cn2cnc(I)c2)cc1 ZINC000141145785 426257523 /nfs/dbraw/zinc/25/75/23/426257523.db2.gz XKQRVFRRNUAVJI-UHFFFAOYSA-N 0 0 314.126 2.545 40 0 DFABRN CC(C)N(C)C(=O)N[C@H](C)c1ccccc1N1CCOCC1 ZINC000086423967 426258691 /nfs/dbraw/zinc/25/86/91/426258691.db2.gz TWLQHCRYGWHSIZ-CQSZACIVSA-N 0 0 305.422 2.634 40 0 DFABRN Cc1ccc(CN2CCCn3nnc(COCC4CC4)c3C2)o1 ZINC000096058843 426394352 /nfs/dbraw/zinc/39/43/52/426394352.db2.gz HWZZNEUKPRESJJ-UHFFFAOYSA-N 0 0 316.405 2.512 40 0 DFABRN Cn1ncc2c1[C@H](COCC1CC1)CN(Cc1ccco1)C2 ZINC000096060107 426395238 /nfs/dbraw/zinc/39/52/38/426395238.db2.gz FFXLUSPSERHQIM-HNNXBMFYSA-N 0 0 301.390 2.539 40 0 DFABRN O=C(c1ccsc1)N1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC000096073529 426395838 /nfs/dbraw/zinc/39/58/38/426395838.db2.gz GPBQRWPCXMHUJX-DOTOQJQBSA-N 0 0 321.442 2.938 40 0 DFABRN O=C(c1ccco1)N1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC000096069668 426395939 /nfs/dbraw/zinc/39/59/39/426395939.db2.gz LLSLWESIPLCQEA-HNNXBMFYSA-N 0 0 324.380 2.558 40 0 DFABRN c1ccc(O[C@@H]2COC3(C2)CCN(c2cnccn2)CC3)cc1 ZINC000096073203 426395980 /nfs/dbraw/zinc/39/59/80/426395980.db2.gz MZZJWECUDWRVHI-INIZCTEOSA-N 0 0 311.385 2.684 40 0 DFABRN O=C(c1ccoc1)N1CC[C@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076094 426396120 /nfs/dbraw/zinc/39/61/20/426396120.db2.gz BNTKORYQCGNKKS-SFHVURJKSA-N 0 0 314.360 2.909 40 0 DFABRN Cc1nc(CN2CCc3onc(CN4CCCC4)c3C2)cs1 ZINC000096084818 426396533 /nfs/dbraw/zinc/39/65/33/426396533.db2.gz JLBOYVPDLOWVFW-UHFFFAOYSA-N 0 0 318.446 2.594 40 0 DFABRN O=C(NC[C@H]1CC12CCN(Cc1nccs1)CC2)C1CCC1 ZINC000096077331 426396724 /nfs/dbraw/zinc/39/67/24/426396724.db2.gz HLNZJWMNAVHXOK-CQSZACIVSA-N 0 0 319.474 2.662 40 0 DFABRN Cc1ccc(N2CCC3(CO[C@H](COCC4CC4)C3)CC2)nn1 ZINC000096105975 426397765 /nfs/dbraw/zinc/39/77/65/426397765.db2.gz PNQYHVIEBZQZGB-INIZCTEOSA-N 0 0 317.433 2.587 40 0 DFABRN CCOC[C@@H]1CC2(CO1)CCN(C(=O)Cc1cccs1)CC2 ZINC000096105890 426397789 /nfs/dbraw/zinc/39/77/89/426397789.db2.gz MEXJRPJPTHXNDU-AWEZNQCLSA-N 0 0 323.458 2.725 40 0 DFABRN c1cnc(N2CCC3(CCOC[C@@H]3COCC3CC3)CC2)nc1 ZINC000096106464 426397803 /nfs/dbraw/zinc/39/78/03/426397803.db2.gz VRGSTVBLBFQFPG-MRXNPFEDSA-N 0 0 317.433 2.526 40 0 DFABRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1nccs1 ZINC000096109740 426398795 /nfs/dbraw/zinc/39/87/95/426398795.db2.gz DRVRZVLIFIKGJQ-GFCCVEGCSA-N 0 0 318.446 2.843 40 0 DFABRN CCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1C ZINC000096147636 426402329 /nfs/dbraw/zinc/40/23/29/426402329.db2.gz HEAYCBDXZSPUNB-UHFFFAOYSA-N 0 0 321.384 2.684 40 0 DFABRN Cc1nc2c(cc1C(=O)[O-])CC[N@H+](Cc1ccsc1)CC2 ZINC000096189557 426404868 /nfs/dbraw/zinc/40/48/68/426404868.db2.gz BOUKMXRWMIGUPN-UHFFFAOYSA-N 0 0 302.399 2.751 40 0 DFABRN C[C@H]1c2ncc(Cn3cccn3)n2CCN1Cc1ccsc1 ZINC000096201249 426405957 /nfs/dbraw/zinc/40/59/57/426405957.db2.gz RAKNZWKCJKBUMK-ZDUSSCGKSA-N 0 0 313.430 2.766 40 0 DFABRN N[C@@H](c1n[nH]c(-c2cccc(O)c2)n1)c1ccc(Cl)cc1 ZINC000095533956 426374120 /nfs/dbraw/zinc/37/41/20/426374120.db2.gz BMSCTBATGLRPOP-CYBMUJFWSA-N 0 0 300.749 2.879 40 0 DFABRN N[C@H](c1nnc(-c2ccc(O)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533959 426374279 /nfs/dbraw/zinc/37/42/79/426374279.db2.gz MNBDCIXZFMWQNI-ZDUSSCGKSA-N 0 0 300.749 2.879 40 0 DFABRN CCOC(=O)[C@H](C)Nc1ccc(C)cc1C(=O)N1CCCCC1 ZINC000095951465 426375754 /nfs/dbraw/zinc/37/57/54/426375754.db2.gz UEHBTOACRRKXRT-AWEZNQCLSA-N 0 0 318.417 2.985 40 0 DFABRN CCOC[C@]12CCCO[C@H]1CCN(C(=O)C[C@H]1C=CCC1)C2 ZINC000096039457 426389250 /nfs/dbraw/zinc/38/92/50/426389250.db2.gz PUHMJKCLDCQMOP-XYJFISCASA-N 0 0 307.434 2.777 40 0 DFABRN CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccsc1)C2 ZINC000096039390 426389812 /nfs/dbraw/zinc/38/98/12/426389812.db2.gz GRYVYMSYYQYGEZ-WBVHZDCISA-N 0 0 323.458 2.725 40 0 DFABRN C[C@H]1C[C@H]2CN(C(=O)COc3cccc(Cl)c3)CC[C@@H]2O1 ZINC000096045963 426390365 /nfs/dbraw/zinc/39/03/65/426390365.db2.gz YPBGYWIQBRTJOK-HUBLWGQQSA-N 0 0 309.793 2.745 40 0 DFABRN COc1cccc(CN2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)c1 ZINC000096042086 426391182 /nfs/dbraw/zinc/39/11/82/426391182.db2.gz SCWSXQPOYGGTBP-GBESFXJTSA-N 0 0 317.429 2.854 40 0 DFABRN CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccc(C)o1)C2 ZINC000096056850 426392967 /nfs/dbraw/zinc/39/29/67/426392967.db2.gz KBURDOLOQUWYKL-DOTOQJQBSA-N 0 0 307.390 2.636 40 0 DFABRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(=O)N(C)C)C3)c1 ZINC000096217498 426408538 /nfs/dbraw/zinc/40/85/38/426408538.db2.gz TXFAXRJCXVSTNQ-AEFFLSMTSA-N 0 0 317.433 2.690 40 0 DFABRN Cc1cnc(N2CCC3(CC[C@H](C(=O)NC(C)C)C3)CC2)nc1 ZINC000096227847 426408795 /nfs/dbraw/zinc/40/87/95/426408795.db2.gz IVOKRCAMOJINGZ-HNNXBMFYSA-N 0 0 316.449 2.696 40 0 DFABRN Cc1ccsc1C(=O)N1CCC[C@@]2(CCCC(=O)N2C)C1 ZINC000096229707 426409067 /nfs/dbraw/zinc/40/90/67/426409067.db2.gz MAIOUUMKRADKDP-INIZCTEOSA-N 0 0 306.431 2.674 40 0 DFABRN CC(C)CC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccs2)C1 ZINC000096227699 426409524 /nfs/dbraw/zinc/40/95/24/426409524.db2.gz YBYIQVMQAPNOBC-RHSMWYFYSA-N 0 0 320.458 2.649 40 0 DFABRN CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1occc1C)C2 ZINC000096229770 426409814 /nfs/dbraw/zinc/40/98/14/426409814.db2.gz GYHJFOPKCGJTRZ-KRWDZBQOSA-N 0 0 304.390 2.595 40 0 DFABRN Cc1ccoc1C(=O)N1CCCn2cnc(COC(C)C)c2C1 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