smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)Cc1cccs1 ZINC000074626833 185003812 /nfs/dbraw/zinc/00/38/12/185003812.db2.gz YEWJXCMZLHDZAY-LSDHHAIUSA-N 0 3 323.506 2.910 50 0 DFAAHN COc1ccc(C)c(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000095512142 185376490 /nfs/dbraw/zinc/37/64/90/185376490.db2.gz OYTDQZVKBRPTKN-QGZVFWFLSA-N 0 3 303.406 2.563 50 0 DFAAHN O[C@H](CN1CCC(Oc2ncccc2F)CC1)c1ccccc1 ZINC000278356604 214111811 /nfs/dbraw/zinc/11/18/11/214111811.db2.gz RAIRJUYGYZKAIG-QGZVFWFLSA-N 0 3 316.376 2.798 50 0 DFAAHN c1cnn(CCN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181285570 199276077 /nfs/dbraw/zinc/27/60/77/199276077.db2.gz QYLVXSNUUIVSQQ-MRXNPFEDSA-N 0 3 322.416 2.548 50 0 DFAAHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cnc(C)s2)cn1 ZINC000328639858 231277862 /nfs/dbraw/zinc/27/78/62/231277862.db2.gz PSANNCZZERHWND-HIFRSBDPSA-N 0 3 319.434 2.618 50 0 DFAAHN O=C1OCCN1CCN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065966313 398353244 /nfs/dbraw/zinc/35/32/44/398353244.db2.gz CARVBKSRTOSFDA-UHFFFAOYSA-N 0 3 313.401 2.800 50 0 DFAAHN COc1cccc([C@H](O)CN2CCC[C@@H](c3cc(C)[nH]n3)C2)c1 ZINC000229923648 398355689 /nfs/dbraw/zinc/35/56/89/398355689.db2.gz YYLOOJOQDBRRTR-CRAIPNDOSA-N 0 3 315.417 2.640 50 0 DFAAHN COc1cccc([C@H](O)CN2CCC[C@@H](c3cc(C)n[nH]3)C2)c1 ZINC000229923648 398355691 /nfs/dbraw/zinc/35/56/91/398355691.db2.gz YYLOOJOQDBRRTR-CRAIPNDOSA-N 0 3 315.417 2.640 50 0 DFAAHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(Cl)cn1 ZINC000088229475 185242695 /nfs/dbraw/zinc/24/26/95/185242695.db2.gz YHKBPQFTWQLGNJ-UHFFFAOYSA-N 0 3 307.781 2.532 50 0 DFAAHN COc1cc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)cc(OC)c1OC ZINC000008469966 398373227 /nfs/dbraw/zinc/37/32/27/398373227.db2.gz HAXNJCFMCFBBSO-SKDZVZGDSA-N 0 3 321.417 2.668 50 0 DFAAHN CCC[C@@H](O)CN(Cc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000245279923 398381822 /nfs/dbraw/zinc/38/18/22/398381822.db2.gz JSMSKTGDGBUDMF-SJLPKXTDSA-N 0 3 307.434 2.837 50 0 DFAAHN COc1c(Br)cccc1CN[C@H]1CCO[C@H]1C ZINC000090230351 185287957 /nfs/dbraw/zinc/28/79/57/185287957.db2.gz GMQJRRJKIDCUPS-CABZTGNLSA-N 0 3 300.196 2.725 50 0 DFAAHN CCNC(=O)N1CC[C@H](N[C@@H]2CCSc3ccccc32)C1 ZINC000090409804 185294806 /nfs/dbraw/zinc/29/48/06/185294806.db2.gz AJELRQIZYVDPGU-GXTWGEPZSA-N 0 3 305.447 2.617 50 0 DFAAHN COc1ccccc1CCC(=O)N1CC(N2CCCC[C@@H]2C)C1 ZINC000082108420 192357069 /nfs/dbraw/zinc/35/70/69/192357069.db2.gz MEFMCVSVCPTJIE-HNNXBMFYSA-N 0 3 316.445 2.713 50 0 DFAAHN OC[C@]1(NCc2ccc(-n3ccnc3)cc2)CCc2ccccc21 ZINC000095429782 185362556 /nfs/dbraw/zinc/36/25/56/185362556.db2.gz BFYPFNHWSHCNKN-HXUWFJFHSA-N 0 3 319.408 2.796 50 0 DFAAHN CCN(CC)[C@H](CNC(=O)C[C@@H](O)C(C)C)c1ccccc1 ZINC000095432630 185363760 /nfs/dbraw/zinc/36/37/60/185363760.db2.gz NFDUABVSDRPEEQ-IAGOWNOFSA-N 0 3 306.450 2.593 50 0 DFAAHN COc1ccc(Cl)cc1[C@H](C)NC[C@@]1(O)CCSC1 ZINC000095423576 185361106 /nfs/dbraw/zinc/36/11/06/185361106.db2.gz OCXQJDIZONDMKN-HZMBPMFUSA-N 0 3 301.839 2.867 50 0 DFAAHN Cc1ncc([C@H](C)NCCNC(=O)c2cccc(C)c2)s1 ZINC000095445299 185367322 /nfs/dbraw/zinc/36/73/22/185367322.db2.gz MWZMFRRNFKZTOC-LBPRGKRZSA-N 0 3 303.431 2.841 50 0 DFAAHN COCCNC(=O)CN[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000095445298 185367429 /nfs/dbraw/zinc/36/74/29/185367429.db2.gz WWPKDRHJHYGQIQ-KRWDZBQOSA-N 0 3 304.434 2.540 50 0 DFAAHN CCn1nc(CNC(=O)CN(C)C2CCCC2)c2ccccc21 ZINC000252488555 398419703 /nfs/dbraw/zinc/41/97/03/398419703.db2.gz IUPYAJRMECPCTE-UHFFFAOYSA-N 0 3 314.433 2.547 50 0 DFAAHN Cc1cc(C)nc(CN(C)C(=O)[C@H](C)N2CCCCCC2)c1 ZINC000584889356 398427099 /nfs/dbraw/zinc/42/70/99/398427099.db2.gz GJOALEZIXPFNRH-INIZCTEOSA-N 0 3 303.450 2.921 50 0 DFAAHN CN1CCCC[C@H]1CNC(=O)c1ccc(Cn2cccc2)cc1 ZINC000584893369 398428593 /nfs/dbraw/zinc/42/85/93/398428593.db2.gz BWPAJRXNUYOCBE-SFHVURJKSA-N 0 3 311.429 2.751 50 0 DFAAHN CS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000253370535 398422355 /nfs/dbraw/zinc/42/23/55/398422355.db2.gz SDJWHVCKGXCUJY-CBBWQLFWSA-N 0 3 313.511 2.642 50 0 DFAAHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@H]1CC=CCC1 ZINC000328642203 529955108 /nfs/dbraw/zinc/95/51/08/529955108.db2.gz YFXCASITFIPKTI-SZMVWBNQSA-N 0 3 313.445 2.889 50 0 DFAAHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000328616195 529954952 /nfs/dbraw/zinc/95/49/52/529954952.db2.gz BLHOQOHEUHCJIU-MLHJIOFPSA-N 0 3 313.445 2.579 50 0 DFAAHN CCO[C@H]1C[C@@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000069899846 190836307 /nfs/dbraw/zinc/83/63/07/190836307.db2.gz LVTXAPLVLWRYGN-YOEHRIQHSA-N 0 3 317.433 2.556 50 0 DFAAHN Cc1cccc2nc(CN(C)C[C@H]3CCc4nccn4C3)cn21 ZINC000328623602 398566108 /nfs/dbraw/zinc/56/61/08/398566108.db2.gz BYOCGFCOBPSTQY-OAHLLOKOSA-N 0 3 309.417 2.534 50 0 DFAAHN Cc1cccc2nc(CN(C)C[C@@H]3CCc4nccn4C3)cn21 ZINC000328623601 398566121 /nfs/dbraw/zinc/56/61/21/398566121.db2.gz BYOCGFCOBPSTQY-HNNXBMFYSA-N 0 3 309.417 2.534 50 0 DFAAHN CN(Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCc2nccn2C1 ZINC000328651829 398568986 /nfs/dbraw/zinc/56/89/86/398568986.db2.gz WBDVBNIXVNDBJZ-ZDUSSCGKSA-N 0 3 301.438 2.598 50 0 DFAAHN N#Cc1ccc(CNC[C@H]2CCc3nc(C(F)(F)F)cn3C2)o1 ZINC000328635385 398569014 /nfs/dbraw/zinc/56/90/14/398569014.db2.gz NIWOMJIIHVGWEA-SNVBAGLBSA-N 0 3 324.306 2.719 50 0 DFAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000069700022 398581072 /nfs/dbraw/zinc/58/10/72/398581072.db2.gz KTGQGJPYDAZYKC-ROUUACIJSA-N 0 3 324.428 2.571 50 0 DFAAHN NC1(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)CCC1 ZINC000071745921 191019753 /nfs/dbraw/zinc/01/97/53/191019753.db2.gz IWPOHSYLISQTKC-CQSZACIVSA-N 0 3 304.409 2.878 50 0 DFAAHN CC(C)c1cc(C(=O)N[C@H]2CCN(C(C)C)C2)nn1C(C)(C)C ZINC000070856388 398601085 /nfs/dbraw/zinc/60/10/85/398601085.db2.gz VSAIETLKJFHJIA-AWEZNQCLSA-N 0 3 320.481 2.974 50 0 DFAAHN OC[C@@]1(O)CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000072127414 191043311 /nfs/dbraw/zinc/04/33/11/191043311.db2.gz JZVDBPKXJWSTSX-OAQYLSRUSA-N 0 3 323.436 2.967 50 0 DFAAHN CCc1c(C)sc2ncnc(NC[C@H]3COCCN(C)C3)c12 ZINC000072144841 191050763 /nfs/dbraw/zinc/05/07/63/191050763.db2.gz RJJDQZWKAWPZNS-GFCCVEGCSA-N 0 3 320.462 2.552 50 0 DFAAHN CN(C)C(=O)CN1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000072162009 191062663 /nfs/dbraw/zinc/06/26/63/191062663.db2.gz YCQGLFWNEKGQRK-ZDUSSCGKSA-N 0 3 310.388 2.698 50 0 DFAAHN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 ZINC000072169184 191068563 /nfs/dbraw/zinc/06/85/63/191068563.db2.gz KZEVFZILXDYBOT-MRXNPFEDSA-N 0 3 303.450 2.950 50 0 DFAAHN O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCCC1 ZINC000225655719 186287430 /nfs/dbraw/zinc/28/74/30/186287430.db2.gz NUYZKWTVRMIBOT-UHFFFAOYSA-N 0 3 316.426 2.834 50 0 DFAAHN COc1ccc2c(c1)CN(C(=O)[C@@H](C)N)[C@H](c1ccccc1)C2 ZINC000119593491 282770167 /nfs/dbraw/zinc/77/01/67/282770167.db2.gz QWRJULGKLOFKHS-ACJLOTCBSA-N 0 3 310.397 2.668 50 0 DFAAHN Cc1n[nH]cc1CNC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000097159420 398664762 /nfs/dbraw/zinc/66/47/62/398664762.db2.gz CCKZUAFVYDMEJS-UHFFFAOYSA-N 0 3 320.387 2.751 50 0 DFAAHN CN(Cc1cccnc1)C[C@H]1CCCN(c2ncccc2F)C1 ZINC000097227484 398665086 /nfs/dbraw/zinc/66/50/86/398665086.db2.gz IHKOAAHDSZOKGE-MRXNPFEDSA-N 0 3 314.408 2.964 50 0 DFAAHN O=C1CCCN1CCCNCc1sccc1Br ZINC000097378262 398667838 /nfs/dbraw/zinc/66/78/38/398667838.db2.gz CYOUCPNXYYLNSV-UHFFFAOYSA-N 0 3 317.252 2.613 50 0 DFAAHN COc1cc(CN[C@H]2CCCC[C@H]2C(N)=O)ccc1SC ZINC000097375134 398668096 /nfs/dbraw/zinc/66/80/96/398668096.db2.gz VTWFZIXVIQVLPA-OLZOCXBDSA-N 0 3 308.447 2.551 50 0 DFAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072432600 191164938 /nfs/dbraw/zinc/16/49/38/191164938.db2.gz UHZBPFOBHGNVGS-KRWDZBQOSA-N 0 3 318.461 2.604 50 0 DFAAHN CCOCCN1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1 ZINC000072479857 191180723 /nfs/dbraw/zinc/18/07/23/191180723.db2.gz XDFBQKIMJCGKEN-INIZCTEOSA-N 0 3 318.465 2.601 50 0 DFAAHN COc1ccc([C@@H](CO)N(C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000110591031 398721687 /nfs/dbraw/zinc/72/16/87/398721687.db2.gz JQMOQVIVTBVXAD-MSOLQXFVSA-N 0 3 319.376 2.533 50 0 DFAAHN O=C(CCN(CCO)Cc1ccccc1)Nc1ccccc1F ZINC000004525508 181120201 /nfs/dbraw/zinc/12/02/01/181120201.db2.gz PSJCCHVQRDMXKK-UHFFFAOYSA-N 0 3 316.376 2.649 50 0 DFAAHN Clc1ccc(CNCCCN2CCOCC2)c(Cl)c1 ZINC000004858675 181164408 /nfs/dbraw/zinc/16/44/08/181164408.db2.gz HETGJUAMYQQCKX-UHFFFAOYSA-N 0 3 303.233 2.805 50 0 DFAAHN COc1ccc2c(c1)c([C@@H](O)CN1CCSCC1)c(C)n2C ZINC000005140652 181208663 /nfs/dbraw/zinc/20/86/63/181208663.db2.gz MAHCMKZUBOFMEF-INIZCTEOSA-N 0 3 320.458 2.578 50 0 DFAAHN Cc1ccc(N2C(=O)C[C@H](NC3CCCC3)C2=O)cc1Cl ZINC000075280305 398794802 /nfs/dbraw/zinc/79/48/02/398794802.db2.gz WINBHWHNFFNMRX-AWEZNQCLSA-N 0 3 306.793 2.813 50 0 DFAAHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)CCc1ccc(O)cc1 ZINC000136486045 398874383 /nfs/dbraw/zinc/87/43/83/398874383.db2.gz KTUUWQQZMSPLIX-LRDDRELGSA-N 0 3 300.406 2.738 50 0 DFAAHN Clc1ccsc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000194377233 201213914 /nfs/dbraw/zinc/21/39/14/201213914.db2.gz UIQNMHRUESBYEO-CYBMUJFWSA-N 0 3 314.882 2.946 50 0 DFAAHN CNC(=O)c1cc[nH]c1[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000169789395 399000944 /nfs/dbraw/zinc/00/09/44/399000944.db2.gz WHSGSMUMDYUSSO-CYBMUJFWSA-N 0 3 303.431 2.815 50 0 DFAAHN CCN(CC)CCN[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000170090275 399005453 /nfs/dbraw/zinc/00/54/53/399005453.db2.gz GHVSPPBFJCPKDX-INIZCTEOSA-N 0 3 321.440 2.561 50 0 DFAAHN COc1cccc(CNCCc2ccc(Br)o2)n1 ZINC000170090404 399005649 /nfs/dbraw/zinc/00/56/49/399005649.db2.gz IPAVSZSRFPBGTO-UHFFFAOYSA-N 0 3 311.179 2.778 50 0 DFAAHN CCOC(=O)[C@@H]1CCCN(CCCOc2ccccc2F)C1 ZINC000006701799 181373585 /nfs/dbraw/zinc/37/35/85/181373585.db2.gz PKVNMKAPUVNDQQ-CQSZACIVSA-N 0 3 309.381 2.870 50 0 DFAAHN Cc1nc(N)cc(N2CCC[C@@H](COc3cccc(F)c3)C2)n1 ZINC000091943877 193130125 /nfs/dbraw/zinc/13/01/25/193130125.db2.gz YFZANTBWMHEVQH-CYBMUJFWSA-N 0 3 316.380 2.802 50 0 DFAAHN CCOc1cccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)c1 ZINC000092078596 193155156 /nfs/dbraw/zinc/15/51/56/193155156.db2.gz WDSKRJQHCXIIFF-INIZCTEOSA-N 0 3 318.461 2.770 50 0 DFAAHN C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccncc1 ZINC000097032664 296132315 /nfs/dbraw/zinc/13/23/15/296132315.db2.gz XGSHKZVZGYVLEK-VQIMIIECSA-N 0 3 311.429 2.806 50 0 DFAAHN CC(C)n1nc(CNCCCn2ccnc2)c(-c2ccccc2)n1 ZINC000261492136 203071942 /nfs/dbraw/zinc/07/19/42/203071942.db2.gz QOPGKIXCYXVIID-UHFFFAOYSA-N 0 3 324.432 2.902 50 0 DFAAHN NC(=O)c1csc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000093335723 193232954 /nfs/dbraw/zinc/23/29/54/193232954.db2.gz ZAKHFJQCGOTPOQ-LBPRGKRZSA-N 0 3 304.390 2.976 50 0 DFAAHN COCCOc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000093586009 193270465 /nfs/dbraw/zinc/27/04/65/193270465.db2.gz BZSVGXROUMZRJQ-IEBWSBKVSA-N 0 3 319.445 2.839 50 0 DFAAHN COC(=O)[C@@]1(C)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093813801 193311934 /nfs/dbraw/zinc/31/19/34/193311934.db2.gz LPCVUQQIOYIKNY-KRWDZBQOSA-N 0 3 317.364 2.601 50 0 DFAAHN c1cnc(Oc2ccc(CN3CC[C@]4(CCOC4)C3)cc2)cn1 ZINC000093820698 193313624 /nfs/dbraw/zinc/31/36/24/193313624.db2.gz BEQLBVUVTRLPDB-SFHVURJKSA-N 0 3 311.385 2.881 50 0 DFAAHN COCCNCc1ccc(Br)c(Br)c1 ZINC000096033164 193491930 /nfs/dbraw/zinc/49/19/30/193491930.db2.gz HWSAPZSKAOASOZ-UHFFFAOYSA-N 0 3 323.028 2.948 50 0 DFAAHN O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000012292052 181746074 /nfs/dbraw/zinc/74/60/74/181746074.db2.gz SOUBLVUPDYDRCT-GOSISDBHSA-N 0 3 315.388 2.843 50 0 DFAAHN Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1 ZINC000016602543 182051925 /nfs/dbraw/zinc/05/19/25/182051925.db2.gz CPZPSYHRMWRDJE-LBPRGKRZSA-N 0 3 310.825 2.626 50 0 DFAAHN CCN1CCC(NC(=O)c2cccc(Br)c2)CC1 ZINC000016603350 182052613 /nfs/dbraw/zinc/05/26/13/182052613.db2.gz VWLGRMVTWOTLPF-UHFFFAOYSA-N 0 3 311.223 2.663 50 0 DFAAHN CC1CCN(CCN(C)C(=O)c2cc3ccccc3n2C)CC1 ZINC000019743436 182142231 /nfs/dbraw/zinc/14/22/31/182142231.db2.gz CDRDVECROAHSCL-UHFFFAOYSA-N 0 3 313.445 2.982 50 0 DFAAHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccc(Br)cc1 ZINC000019796186 182151076 /nfs/dbraw/zinc/15/10/76/182151076.db2.gz LYLZSAYFVQJEJK-LLVKDONJSA-N 0 3 315.211 2.974 50 0 DFAAHN 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/nfs/dbraw/zinc/09/50/84/191095084.db2.gz GQNNCHGAGRUBMO-HUUCEWRRSA-N 0 3 314.433 2.901 50 0 DFAAHN COc1ccc(C)cc1[C@H](C)NC[C@H]1CNc2cc(C)nn2C1 ZINC000072273340 191095430 /nfs/dbraw/zinc/09/54/30/191095430.db2.gz GQNNCHGAGRUBMO-GJZGRUSLSA-N 0 3 314.433 2.901 50 0 DFAAHN CCN1CCC(NC(=O)COc2cccc(C(C)C)c2)CC1 ZINC000044090654 398636879 /nfs/dbraw/zinc/63/68/79/398636879.db2.gz IWHQGBMMXJPYEX-UHFFFAOYSA-N 0 3 304.434 2.789 50 0 DFAAHN CN(C)Cc1c2ccccc2oc1C(=O)N(C)c1cnn(C)c1 ZINC000072296681 191112351 /nfs/dbraw/zinc/11/23/51/191112351.db2.gz LKKXODZFRCDFRV-UHFFFAOYSA-N 0 3 312.373 2.505 50 0 DFAAHN CCO[C@@H]1C[C@](O)(CN[C@H](C)c2cnn(C(C)C)c2)C1(C)C ZINC000225594697 186280848 /nfs/dbraw/zinc/28/08/48/186280848.db2.gz GKRJEYQZXLWREH-UNEWFSDZSA-N 0 3 309.454 2.681 50 0 DFAAHN CSc1ccccc1[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000253397807 186306301 /nfs/dbraw/zinc/30/63/01/186306301.db2.gz YMEYTIGMXVZMSL-GFCCVEGCSA-N 0 3 307.463 2.863 50 0 DFAAHN C[C@@H](C(=O)NCc1ccn(C2CCCC2)n1)N1[C@H](C)CC[C@H]1C ZINC000095429627 398657881 /nfs/dbraw/zinc/65/78/81/398657881.db2.gz XHFHZYACUKSCTD-KFWWJZLASA-N 0 3 318.465 2.876 50 0 DFAAHN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCSC1 ZINC000097371054 398667034 /nfs/dbraw/zinc/66/70/34/398667034.db2.gz WLWQJCCBKKSLIK-KBPBESRZSA-N 0 3 313.488 2.724 50 0 DFAAHN O=C(Nc1cccc(CN[C@@H]2CCCSC2)c1)[C@H]1CCCO1 ZINC000097370828 398667350 /nfs/dbraw/zinc/66/73/50/398667350.db2.gz ZTWWOJFQTOZROF-HZPDHXFCSA-N 0 3 320.458 2.789 50 0 DFAAHN COc1ccc(-n2ccnc2-c2cc3n(n2)CCCNC3)c(C)c1 ZINC000072411396 191154653 /nfs/dbraw/zinc/15/46/53/191154653.db2.gz JJTIIQUBXWDCJR-UHFFFAOYSA-N 0 3 323.400 2.546 50 0 DFAAHN Cc1nnc(NNc2n[nH]c(=O)c3ccccc23)c2ccccc12 ZINC000072422467 191158538 /nfs/dbraw/zinc/15/85/38/191158538.db2.gz QMWYGOWSTHAIEP-UHFFFAOYSA-N 0 3 318.340 2.614 50 0 DFAAHN CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1ccsc1)CC2 ZINC000072479017 191178929 /nfs/dbraw/zinc/17/89/29/191178929.db2.gz AFIIOYSLJPAXPR-OAHLLOKOSA-N 0 3 322.474 2.899 50 0 DFAAHN CCC[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1ccsc1)CC2 ZINC000072479017 191178931 /nfs/dbraw/zinc/17/89/31/191178931.db2.gz AFIIOYSLJPAXPR-OAHLLOKOSA-N 0 3 322.474 2.899 50 0 DFAAHN COc1ccc(CCNCC(=O)NC2CCCCCC2)cc1 ZINC000003440392 181020399 /nfs/dbraw/zinc/02/03/99/181020399.db2.gz MLEXRYQCNOKHEP-UHFFFAOYSA-N 0 3 304.434 2.666 50 0 DFAAHN Fc1ccccc1-c1ccc(CNCCCN2CCOCC2)o1 ZINC000004867692 181165784 /nfs/dbraw/zinc/16/57/84/181165784.db2.gz KTFLYQNIMVZBEU-UHFFFAOYSA-N 0 3 318.392 2.898 50 0 DFAAHN C[C@H]1C[C@H](C)CN(CCOCCOc2ccccc2C=O)C1 ZINC000004869831 181166348 /nfs/dbraw/zinc/16/63/48/181166348.db2.gz BDEQYUAOPANISD-HOTGVXAUSA-N 0 3 305.418 2.872 50 0 DFAAHN C[C@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)Cc1cccs1 ZINC000074627857 398756550 /nfs/dbraw/zinc/75/65/50/398756550.db2.gz XQBIMFYNBWAUSZ-LSDHHAIUSA-N 0 3 321.490 2.806 50 0 DFAAHN C/C=C/C(=O)OCC(=O)Nc1ccc(C(=O)OCCCC)cc1 ZINC000005462940 181246380 /nfs/dbraw/zinc/24/63/80/181246380.db2.gz BOQMZSIFSDRGEX-GQCTYLIASA-N 0 3 319.357 2.701 50 0 DFAAHN CC(C)OC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O ZINC000005463060 181246474 /nfs/dbraw/zinc/24/64/74/181246474.db2.gz JFVFJEFRWCBGGX-POHAHGRESA-N 0 3 311.384 2.736 50 0 DFAAHN Cc1cccc(NC[C@H]2CCN(Cc3cnn4ccccc34)C2)n1 ZINC000179857498 199089399 /nfs/dbraw/zinc/08/93/99/199089399.db2.gz AGZXNGUERGOCMJ-MRXNPFEDSA-N 0 3 321.428 2.972 50 0 DFAAHN c1ccc(CCCCN2CCN(C3CCOCC3)CC2)cc1 ZINC000187111081 200063662 /nfs/dbraw/zinc/06/36/62/200063662.db2.gz WLULDJYGGSTKCF-UHFFFAOYSA-N 0 3 302.462 2.806 50 0 DFAAHN Cc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)co1 ZINC000188900774 200319245 /nfs/dbraw/zinc/31/92/45/200319245.db2.gz OAZBDNPTKPIEAQ-UHFFFAOYSA-N 0 3 315.373 2.708 50 0 DFAAHN Cc1cccc(CS(=O)(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000153889584 398938560 /nfs/dbraw/zinc/93/85/60/398938560.db2.gz FHKKFTKFWPLZTD-UHFFFAOYSA-N 0 3 318.442 2.999 50 0 DFAAHN CC(C)c1nc2n(n1)CCC[C@H]2NC1CCC2(CC1)OCCO2 ZINC000156318021 398949917 /nfs/dbraw/zinc/94/99/17/398949917.db2.gz PPINTMFXXBAGSW-CQSZACIVSA-N 0 3 320.437 2.512 50 0 DFAAHN CN(C)CCNC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000006605848 181360138 /nfs/dbraw/zinc/36/01/38/181360138.db2.gz CPBRUMUFPQMKPX-UHFFFAOYSA-N 0 3 306.479 2.525 50 0 DFAAHN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@H]1CCCCN1 ZINC000170673880 399013991 /nfs/dbraw/zinc/01/39/91/399013991.db2.gz UOTZSMBNIKEUQR-CQSZACIVSA-N 0 3 312.373 2.695 50 0 DFAAHN CC(=O)N(C[C@H]1CCCN1Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000275471857 212355776 /nfs/dbraw/zinc/35/57/76/212355776.db2.gz ALESNERLVVGCQE-QGZVFWFLSA-N 0 3 312.417 2.538 50 0 DFAAHN CCOCCN1CCC(c2nccn2Cc2cscn2)CC1 ZINC000091551636 193072198 /nfs/dbraw/zinc/07/21/98/193072198.db2.gz HAKPXDOWBCAKGV-UHFFFAOYSA-N 0 3 320.462 2.604 50 0 DFAAHN C[C@@H]1CN(CC2CCN(c3ncccc3F)CC2)C[C@@H](C)O1 ZINC000091478082 193062573 /nfs/dbraw/zinc/06/25/73/193062573.db2.gz APFXZWHWKTZNMT-ZIAGYGMSSA-N 0 3 307.413 2.546 50 0 DFAAHN CN(C)CCNc1ncc(C(F)(F)F)cc1Br ZINC000091695690 193093465 /nfs/dbraw/zinc/09/34/65/193093465.db2.gz OQFSJTBAMGGYRB-UHFFFAOYSA-N 0 3 312.133 2.836 50 0 DFAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(C)cc1OC)C2 ZINC000091724693 193097157 /nfs/dbraw/zinc/09/71/57/193097157.db2.gz ANFRWUPDUUIJOD-HZPDHXFCSA-N 0 3 316.445 2.950 50 0 DFAAHN COc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1O ZINC000091960307 193132014 /nfs/dbraw/zinc/13/20/14/193132014.db2.gz CWVZCRJYASJZRW-ZFWWWQNUSA-N 0 3 301.390 2.680 50 0 DFAAHN CC[C@@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cnn(C)c1 ZINC000091966354 193133443 /nfs/dbraw/zinc/13/34/43/193133443.db2.gz SGJRKBFWWDBVHC-OAHLLOKOSA-N 0 3 314.364 2.642 50 0 DFAAHN NC(=O)C[C@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC000093809199 193310217 /nfs/dbraw/zinc/31/02/17/193310217.db2.gz VRDXEBGTYMUADX-GFCCVEGCSA-N 0 3 316.323 2.673 50 0 DFAAHN [NH3+]Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000094573678 193381358 /nfs/dbraw/zinc/38/13/58/193381358.db2.gz YCCVAHHLAFVBAK-UHFFFAOYSA-N 0 3 321.174 2.866 50 0 DFAAHN COc1ccc(C(=O)[C@@H]2CCCN(C3CCOCC3)C2)cc1F ZINC000014960252 181978868 /nfs/dbraw/zinc/97/88/68/181978868.db2.gz TVIMFJCVDWODGA-CQSZACIVSA-N 0 3 321.392 2.908 50 0 DFAAHN Cc1ccc2onc(CC(=O)NCCN3CCCC[C@@H]3C)c2c1 ZINC000015675137 182011603 /nfs/dbraw/zinc/01/16/03/182011603.db2.gz NENMCXLWVSAXLP-AWEZNQCLSA-N 0 3 315.417 2.669 50 0 DFAAHN CC[C@@H](Oc1cccc(C)c1C)C(=O)NC1CCN(C)CC1 ZINC000016580235 182050536 /nfs/dbraw/zinc/05/05/36/182050536.db2.gz GZAODVAGYLXZDF-MRXNPFEDSA-N 0 3 304.434 2.671 50 0 DFAAHN CCOC(=O)[C@H]1CCCN(CCOc2cccc(Cl)c2)C1 ZINC000016527128 182048402 /nfs/dbraw/zinc/04/84/02/182048402.db2.gz RUWMUXXNXCJJRO-ZDUSSCGKSA-N 0 3 311.809 2.994 50 0 DFAAHN O=C(CCCN1CCN2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000019772627 182145081 /nfs/dbraw/zinc/14/50/81/182145081.db2.gz GXQBFUWUDAEZEL-QGZVFWFLSA-N 0 3 304.409 2.959 50 0 DFAAHN C[C@@H]1CCC[C@H](N2CCN(C(=O)COc3ccccc3)CC2)C1 ZINC000019831426 182154557 /nfs/dbraw/zinc/15/45/57/182154557.db2.gz KUMRTRUSRFZJRG-SJORKVTESA-N 0 3 316.445 2.788 50 0 DFAAHN CCc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3)C2=O)cc1 ZINC000020082502 182185609 /nfs/dbraw/zinc/18/56/09/182185609.db2.gz APGVFQXLNBWCRW-GOSISDBHSA-N 0 3 322.408 2.713 50 0 DFAAHN CN1CCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000020653412 182241874 /nfs/dbraw/zinc/24/18/74/182241874.db2.gz PBSUMNNHIVCRKZ-UHFFFAOYSA-N 0 3 302.340 2.722 50 0 DFAAHN O=C(NCCN1CCCC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575433 182235214 /nfs/dbraw/zinc/23/52/14/182235214.db2.gz WQNKXIOHSTWMCT-UHFFFAOYSA-N 0 3 308.385 2.542 50 0 DFAAHN COCCCNCc1cc(Br)cc(OC)c1OC ZINC000020933987 182255130 /nfs/dbraw/zinc/25/51/30/182255130.db2.gz DNOCARBYLCVUKL-UHFFFAOYSA-N 0 3 318.211 2.592 50 0 DFAAHN CCCOc1c(Cl)cc(CN[C@@H](CC)CO)cc1OC ZINC000020931431 182255352 /nfs/dbraw/zinc/25/53/52/182255352.db2.gz LHYNLKWEZGYVOH-LBPRGKRZSA-N 0 3 301.814 2.998 50 0 DFAAHN c1cn(-c2ccc(CNCc3ccc4c(c3)OCO4)cc2)cn1 ZINC000022770324 182333892 /nfs/dbraw/zinc/33/38/92/182333892.db2.gz KCMKLSSRKOOUFV-UHFFFAOYSA-N 0 3 307.353 2.891 50 0 DFAAHN OCCN(CCO)Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000023283030 182355504 /nfs/dbraw/zinc/35/55/04/182355504.db2.gz RFEDPPLIQNDGHH-UHFFFAOYSA-N 0 3 321.804 2.919 50 0 DFAAHN Cc1ccccc1CN1CCN(CC(C)(C)C)C[C@@H]1CCO ZINC000023360291 182358585 /nfs/dbraw/zinc/35/85/85/182358585.db2.gz PCQXGBRKUZMHOF-SFHVURJKSA-N 0 3 304.478 2.910 50 0 DFAAHN CCC[C@@H](NC(=O)[C@@H](C)N1CCCN(C)CC1)c1ccccc1 ZINC000039985818 183026765 /nfs/dbraw/zinc/02/67/65/183026765.db2.gz YLHZVARDQNVXEW-SJLPKXTDSA-N 0 3 317.477 2.670 50 0 DFAAHN CCN1CCC[C@@H]1CNC(=O)c1csc(-c2ccco2)n1 ZINC000040052346 183030027 /nfs/dbraw/zinc/03/00/27/183030027.db2.gz LOIUJYDFMYWRQH-LLVKDONJSA-N 0 3 305.403 2.617 50 0 DFAAHN CN(Cc1ccc(C(N)=O)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000040497406 183082147 /nfs/dbraw/zinc/08/21/47/183082147.db2.gz YORNDUBDWPQPOK-MRXNPFEDSA-N 0 3 318.804 2.604 50 0 DFAAHN O=C(c1ccc(F)cc1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000005731107 284659288 /nfs/dbraw/zinc/65/92/88/284659288.db2.gz CUXKGUCXKYQWSO-UAGQMJEPSA-N 0 3 314.404 2.796 50 0 DFAAHN CN1CCC[C@@](O)(CN(Cc2ccco2)Cc2cccs2)C1 ZINC000041124046 183168838 /nfs/dbraw/zinc/16/88/38/183168838.db2.gz RPHIJHNSNDBLBD-KRWDZBQOSA-N 0 3 320.458 2.800 50 0 DFAAHN CC[C@H](C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000041577929 183206385 /nfs/dbraw/zinc/20/63/85/183206385.db2.gz QJPZEQFYRFGDEM-HNNXBMFYSA-N 0 3 303.450 2.809 50 0 DFAAHN O=C(c1ccco1)N1CCC(NCc2ccc(F)cc2F)CC1 ZINC000042206519 183242265 /nfs/dbraw/zinc/24/22/65/183242265.db2.gz GSQFHAZHTXQILK-UHFFFAOYSA-N 0 3 320.339 2.952 50 0 DFAAHN O=C(Nc1nccs1)NC1CCN(Cc2ccccc2)CC1 ZINC000042738082 183303647 /nfs/dbraw/zinc/30/36/47/183303647.db2.gz IFQSCYJACQRZOE-UHFFFAOYSA-N 0 3 316.430 2.929 50 0 DFAAHN CCOc1cc(F)ccc1NC(=O)NC1CCN(CC)CC1 ZINC000043292295 183351358 /nfs/dbraw/zinc/35/13/58/183351358.db2.gz GPGLHWJJBUSXON-UHFFFAOYSA-N 0 3 309.385 2.830 50 0 DFAAHN Cc1cc(N2CC[C@H](N[C@@H](c3ccccc3)C3CC3)C2=O)n(C)n1 ZINC000104361723 194002407 /nfs/dbraw/zinc/00/24/07/194002407.db2.gz SGHHDLSNKBWEOI-WMZOPIPTSA-N 0 3 324.428 2.575 50 0 DFAAHN CC(C)CN1CCN(CCCc2ccccc2)C[C@H]1CCO ZINC000104381508 194004159 /nfs/dbraw/zinc/00/41/59/194004159.db2.gz YIGOINRNVRYTLF-LJQANCHMSA-N 0 3 304.478 2.644 50 0 DFAAHN Cc1ccc(CN2CCN(CC(C)(C)C)C[C@H]2CCO)cc1 ZINC000104511230 194012746 /nfs/dbraw/zinc/01/27/46/194012746.db2.gz USWCVSHWSSSPPP-GOSISDBHSA-N 0 3 304.478 2.910 50 0 DFAAHN CS[C@@H]1CC[C@H](N(C)CC(=O)NCc2sccc2C)C1 ZINC000110646138 194346141 /nfs/dbraw/zinc/34/61/41/194346141.db2.gz VZUKCOMKRUIQCN-QWHCGFSZSA-N 0 3 312.504 2.889 50 0 DFAAHN CCN1CCC[C@@H]1CNC(=O)c1ccccc1C(F)(F)F ZINC000057159515 184029122 /nfs/dbraw/zinc/02/91/22/184029122.db2.gz TXXPEXGQCOTSSC-LLVKDONJSA-N 0 3 300.324 2.920 50 0 DFAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000057159518 184029229 /nfs/dbraw/zinc/02/92/29/184029229.db2.gz GOBLQLFGDGTPRX-ZDUSSCGKSA-N 0 3 300.324 2.920 50 0 DFAAHN CCNC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc(C(C)C)cc2)C1 ZINC000057865865 184058660 /nfs/dbraw/zinc/05/86/60/184058660.db2.gz NRSDSZJGPDOWPE-MSOLQXFVSA-N 0 3 318.461 2.692 50 0 DFAAHN CCOCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058380119 184110910 /nfs/dbraw/zinc/11/09/10/184110910.db2.gz UVQMJDNPTFJUHX-SFHVURJKSA-N 0 3 318.461 2.832 50 0 DFAAHN Cc1nn(C)c(Oc2ccccc2)c1CNC[C@@H]1CCCN1C ZINC000058300176 184102835 /nfs/dbraw/zinc/10/28/35/184102835.db2.gz CQMKKCKRJMETDI-HNNXBMFYSA-N 0 3 314.433 2.705 50 0 DFAAHN Cc1cccc(NC(=O)[C@H]2CCCN(CCc3ccncc3)C2)n1 ZINC000058331142 184106380 /nfs/dbraw/zinc/10/63/80/184106380.db2.gz OGPQFICJQRWCOU-KRWDZBQOSA-N 0 3 324.428 2.678 50 0 DFAAHN Cc1cccc(NC(=O)[C@H]2CCCN(CCc3ccccn3)C2)n1 ZINC000058427534 184117292 /nfs/dbraw/zinc/11/72/92/184117292.db2.gz VCOZIUVTCOAIKN-INIZCTEOSA-N 0 3 324.428 2.678 50 0 DFAAHN Cc1cccc(-c2oncc2CN2CCC3(CC2)OCCO3)c1 ZINC000065288915 184323330 /nfs/dbraw/zinc/32/33/30/184323330.db2.gz WGDAXQAGGADNHZ-UHFFFAOYSA-N 0 3 314.385 2.989 50 0 DFAAHN Cn1cc(C2=CCN(Cc3ccc(-n4cccn4)cc3)CC2)cn1 ZINC000065382681 184332334 /nfs/dbraw/zinc/33/23/34/184332334.db2.gz OKLMGKYMTFIHAU-UHFFFAOYSA-N 0 3 319.412 2.895 50 0 DFAAHN CCC1=NO[C@H](CNCc2cc(C)c(OC(C)=O)c(C)c2)C1 ZINC000065456921 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CN1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000019889825 182161091 /nfs/dbraw/zinc/16/10/91/182161091.db2.gz KFNQCUVGLLVHHF-UHFFFAOYSA-N 0 3 307.869 2.552 50 0 DFAAHN CCOc1ccccc1CN1CCN(CC(C)C)[C@@H](CCO)C1 ZINC000020453980 182219340 /nfs/dbraw/zinc/21/93/40/182219340.db2.gz LATOBVAQNALRJP-SFHVURJKSA-N 0 3 320.477 2.610 50 0 DFAAHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccoc1 ZINC000064521830 399226657 /nfs/dbraw/zinc/22/66/57/399226657.db2.gz IGOXNSNEJJNIKT-CYBMUJFWSA-N 0 3 304.415 2.983 50 0 DFAAHN CCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1OC ZINC000022075992 182308273 /nfs/dbraw/zinc/30/82/73/182308273.db2.gz RBWINCUEIREDJN-MRXNPFEDSA-N 0 3 301.386 2.917 50 0 DFAAHN Cc1cn2nc(NC[C@@H](c3cccs3)N(C)C)sc2n1 ZINC000022977069 182344191 /nfs/dbraw/zinc/34/41/91/182344191.db2.gz BDPMCFNFELPANF-JTQLQIEISA-N 0 3 307.448 2.876 50 0 DFAAHN Cc1nn(C)c(C)c1CNC[C@@H](c1cccc(F)c1)N(C)C ZINC000022913015 182340171 /nfs/dbraw/zinc/34/01/71/182340171.db2.gz AKIZVNCAWCFLEB-KRWDZBQOSA-N 0 3 304.413 2.569 50 0 DFAAHN OCC[C@H]1CN(Cc2c(F)cccc2F)CCN1C1CCCC1 ZINC000023375563 182358827 /nfs/dbraw/zinc/35/88/27/182358827.db2.gz JBAWPGOSCVGGBV-HNNXBMFYSA-N 0 3 324.415 2.776 50 0 DFAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccccn1 ZINC000024182157 182376726 /nfs/dbraw/zinc/37/67/26/182376726.db2.gz WEDWZCYKLIVWBK-UHFFFAOYSA-N 0 3 309.413 2.998 50 0 DFAAHN O=C(Nc1ccccc1)C1CCN(C[C@@H]2CCCCO2)CC1 ZINC000024855620 182393208 /nfs/dbraw/zinc/39/32/08/182393208.db2.gz GVRIVNWMXASYOO-KRWDZBQOSA-N 0 3 302.418 2.906 50 0 DFAAHN CCc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 ZINC000024923589 182394914 /nfs/dbraw/zinc/39/49/14/182394914.db2.gz JVDRCLXHFVTWDT-UHFFFAOYSA-N 0 3 316.430 2.949 50 0 DFAAHN CCN(CC)[C@H](CNC(=O)c1cc(C)no1)c1ccsc1 ZINC000031986500 182631410 /nfs/dbraw/zinc/63/14/10/182631410.db2.gz JCMGUFLURSADOJ-CYBMUJFWSA-N 0 3 307.419 2.857 50 0 DFAAHN Cc1ccccc1CN1CCN(CC(C)(C)C)[C@H](CCO)C1 ZINC000039398729 183018482 /nfs/dbraw/zinc/01/84/82/183018482.db2.gz IQBDHSHODVZGLZ-GOSISDBHSA-N 0 3 304.478 2.910 50 0 DFAAHN 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[O-]c1ccc2c(c1)Sc1ccccc1C(N1CC[NH2+]CC1)=N2 ZINC000022060556 425796521 /nfs/dbraw/zinc/79/65/21/425796521.db2.gz CAWOJGJDGLXKTF-UHFFFAOYSA-N 0 3 311.410 2.840 50 0 in-vitro DFAAHN COc1ccc([C@@H](CNC(=O)[C@H]2CC=CCC2)N(C)C)cc1 ZINC000025714868 425807939 /nfs/dbraw/zinc/80/79/39/425807939.db2.gz RKAMGOASLQKUKJ-DOTOQJQBSA-N 0 3 302.418 2.770 50 0 DFAAHN CCOc1cc(CN(C)CCC(=O)OC)ccc1OC(F)F ZINC000046777418 425866331 /nfs/dbraw/zinc/86/63/31/425866331.db2.gz ONLHEVNQMISUAD-UHFFFAOYSA-N 0 3 317.332 2.682 50 0 DFAAHN CN(C)[C@@H](CNC(=O)CCc1ccccc1)Cc1ccccc1 ZINC000027582581 425817070 /nfs/dbraw/zinc/81/70/70/425817070.db2.gz ZRBUCYBJIOAEID-LJQANCHMSA-N 0 3 310.441 2.908 50 0 DFAAHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CC1 ZINC000030279030 425831017 /nfs/dbraw/zinc/83/10/17/425831017.db2.gz FIQHVQPUYKKVNN-UHFFFAOYSA-N 0 3 322.836 2.709 50 0 DFAAHN COc1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1 ZINC000033128906 425841295 /nfs/dbraw/zinc/84/12/95/425841295.db2.gz DGNPBHMRFXHGNL-UHFFFAOYSA-N 0 3 311.385 2.945 50 0 DFAAHN CC(C)=CC(=O)Nc1ccc(N2CCN(CC(C)C)CC2)nc1 ZINC000034681602 425842478 /nfs/dbraw/zinc/84/24/78/425842478.db2.gz SPUFYHNMASXLNT-UHFFFAOYSA-N 0 3 316.449 2.764 50 0 DFAAHN Cc1ccc2ccc3cc(C(=O)NCCN4CCCC4)[nH]c3c2n1 ZINC000035477808 425844147 /nfs/dbraw/zinc/84/41/47/425844147.db2.gz CJWSEVUZKHXTHS-UHFFFAOYSA-N 0 3 322.412 2.850 50 0 DFAAHN Cc1cc(N(C)Cc2ccccc2Br)nc(N)n1 ZINC000036396923 425845750 /nfs/dbraw/zinc/84/57/50/425845750.db2.gz UMZVWYQWSCWLEK-UHFFFAOYSA-N 0 3 307.195 2.766 50 0 DFAAHN COCc1cccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000046954143 425867126 /nfs/dbraw/zinc/86/71/26/425867126.db2.gz HBXKFYGLEZVHBB-CABCVRRESA-N 0 3 304.434 2.683 50 0 DFAAHN CCN(CC)[C@H](CNC(=O)[C@H](C)n1ccnc1)c1ccsc1 ZINC000048236923 425873822 /nfs/dbraw/zinc/87/38/22/425873822.db2.gz YGXYEUXTYPRQCO-DZGCQCFKSA-N 0 3 320.462 2.705 50 0 DFAAHN C[C@H](C1CC1)N(C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000048342047 425874519 /nfs/dbraw/zinc/87/45/19/425874519.db2.gz BQNZOYRRUKKPLA-GFCCVEGCSA-N 0 3 318.446 2.662 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50 0 DFAAHN COc1ccccc1C[C@@H](C)N[C@@H]1CCCn2c(C)nnc21 ZINC000095969044 426379781 /nfs/dbraw/zinc/37/97/81/426379781.db2.gz DXEZNGYTLGTTMF-IUODEOHRSA-N 0 3 300.406 2.651 50 0 DFAAHN C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H](C)CS(C)(=O)=O ZINC000095985002 426382797 /nfs/dbraw/zinc/38/27/97/426382797.db2.gz ADDSWGBCJXKVRE-NXEZZACHSA-N 0 3 324.273 2.947 50 0 DFAAHN COc1ccc(NC(C)=O)cc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000095986837 426384001 /nfs/dbraw/zinc/38/40/01/426384001.db2.gz XAUCXBSPQVIQRD-RISCZKNCSA-N 0 3 303.406 2.691 50 0 DFAAHN Fc1ccc(-c2nnc3n2C[C@H](NCc2ccco2)CC3)cc1 ZINC000096002612 426385947 /nfs/dbraw/zinc/38/59/47/426385947.db2.gz ZYEHDIGDUYWWLR-CQSZACIVSA-N 0 3 312.348 2.782 50 0 DFAAHN COc1cc(Br)ccc1CN(C)C[C@H]1CCOC1 ZINC000096005932 426387152 /nfs/dbraw/zinc/38/71/52/426387152.db2.gz DKUQITCHBVTYEO-LLVKDONJSA-N 0 3 314.223 2.926 50 0 DFAAHN Cn1nccc1CN[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000096013565 426388045 /nfs/dbraw/zinc/38/80/45/426388045.db2.gz PVXJLWBIPHLWCI-CABCVRRESA-N 0 3 322.453 2.736 50 0 DFAAHN COCCN1CC[C@H](Nc2ccc(Br)c(F)c2)C1 ZINC000096011613 426388544 /nfs/dbraw/zinc/38/85/44/426388544.db2.gz BAOHUOSNTLFMHJ-NSHDSACASA-N 0 3 317.202 2.721 50 0 DFAAHN O=C1CCCN1[C@@H]1CCCN(CCSc2ccccc2)C1 ZINC000096410340 426416080 /nfs/dbraw/zinc/41/60/80/426416080.db2.gz ZEEWNHUBDPTJNM-OAHLLOKOSA-N 0 3 304.459 2.866 50 0 DFAAHN Cc1ccc(NC(=O)CC[C@H]2CCCO2)c(OCCN(C)C)c1 ZINC000096414021 426416718 /nfs/dbraw/zinc/41/67/18/426416718.db2.gz BPSHRGNEPDWJNC-OAHLLOKOSA-N 0 3 320.433 2.833 50 0 DFAAHN CN(CCOc1cccc(S(C)(=O)=O)c1)C(C1CC1)C1CC1 ZINC000096414842 426418222 /nfs/dbraw/zinc/41/82/22/426418222.db2.gz JWYNFNGROOUXSJ-UHFFFAOYSA-N 0 3 323.458 2.589 50 0 DFAAHN c1ccc(CCN2CCC(OC[C@H]3CCCCO3)CC2)nc1 ZINC000096455943 426429944 /nfs/dbraw/zinc/42/99/44/426429944.db2.gz BCHXOQVXDXJUFF-GOSISDBHSA-N 0 3 304.434 2.674 50 0 DFAAHN O=C(CCc1ccccc1)N1CC[C@@H](NCc2cccc(O)c2)C1 ZINC000096461935 426430985 /nfs/dbraw/zinc/43/09/85/426430985.db2.gz XGSUUYMWIPYRRH-GOSISDBHSA-N 0 3 324.424 2.716 50 0 DFAAHN CCN1CCCN(C(=O)N[C@H](C)c2c(F)cccc2OC)CC1 ZINC000096482486 426433790 /nfs/dbraw/zinc/43/37/90/426433790.db2.gz NHUBFXAGAYRVAF-CYBMUJFWSA-N 0 3 323.412 2.633 50 0 DFAAHN CC1(C)[C@H](NCc2cccc(OCC(F)F)n2)[C@H]2CCO[C@@H]21 ZINC000097034828 426441037 /nfs/dbraw/zinc/44/10/37/426441037.db2.gz LKBPKCIWAISOOG-DFBGVHRSSA-N 0 3 312.360 2.629 50 0 DFAAHN CN1CCC(NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1 ZINC000097141400 426453177 /nfs/dbraw/zinc/45/31/77/426453177.db2.gz PBAGXIMNCOEVMR-LBPRGKRZSA-N 0 3 307.360 2.501 50 0 DFAAHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000097112745 426450790 /nfs/dbraw/zinc/45/07/90/426450790.db2.gz UJNQMTCFQVUDIK-HRCADAONSA-N 0 3 317.433 2.817 50 0 DFAAHN COc1ccc([C@H](O)CNCc2c[nH]nc2C(C)(C)C)cc1 ZINC000097159544 426454874 /nfs/dbraw/zinc/45/48/74/426454874.db2.gz GWOBSLLMFGJBPP-OAHLLOKOSA-N 0 3 303.406 2.539 50 0 DFAAHN Cn1ccnc1C[C@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000097376952 426465206 /nfs/dbraw/zinc/46/52/06/426465206.db2.gz GCPWZEYXIGXCKL-CQSZACIVSA-N 0 3 315.465 2.895 50 0 DFAAHN Cn1ccnc1C[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000097376973 426465951 /nfs/dbraw/zinc/46/59/51/426465951.db2.gz YOSRBLFQESGTEF-HNNXBMFYSA-N 0 3 315.465 2.826 50 0 DFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC[C@@H]1CCO ZINC000097475647 426467911 /nfs/dbraw/zinc/46/79/11/426467911.db2.gz NZDRYWUVMDSTEV-MRXNPFEDSA-N 0 3 317.408 2.975 50 0 DFAAHN CCn1nc(C)c(CN2CCC(Cn3ccnc3)CC2)c1C ZINC000097475513 426468032 /nfs/dbraw/zinc/46/80/32/426468032.db2.gz RRMZMLKIQKNWMU-UHFFFAOYSA-N 0 3 301.438 2.629 50 0 DFAAHN Cc1ccccc1-c1cccc(CN2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000097528021 426469079 /nfs/dbraw/zinc/46/90/79/426469079.db2.gz FJANKWGTXCMACC-PMACEKPBSA-N 0 3 310.441 2.769 50 0 DFAAHN Cc1nn(C)cc1CN(C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000097729625 426473363 /nfs/dbraw/zinc/47/33/63/426473363.db2.gz FPUUCCTYHOWBCI-UHFFFAOYSA-N 0 3 317.824 2.933 50 0 DFAAHN COCC1(C(=O)NC[C@H](c2ccccc2C)N(C)C)CCC1 ZINC000097742781 426473984 /nfs/dbraw/zinc/47/39/84/426473984.db2.gz XQDMZHPJMVKJCN-MRXNPFEDSA-N 0 3 304.434 2.531 50 0 DFAAHN O[C@@H](CN[C@@H]1CCc2ccccc21)CN1CCc2ccccc2C1 ZINC000098144093 426480589 /nfs/dbraw/zinc/48/05/89/426480589.db2.gz AAWSSEKUWIPPTL-PZJWPPBQSA-N 0 3 322.452 2.683 50 0 DFAAHN C1=CCN([C@H]2CCN(c3ncnc4c5ccccc5oc43)C2)C1 ZINC000101341806 426484155 /nfs/dbraw/zinc/48/41/55/426484155.db2.gz GYVVZRBOYBJVBK-ZDUSSCGKSA-N 0 3 306.369 2.827 50 0 DFAAHN C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(F)c(F)c1 ZINC000101383643 426484184 /nfs/dbraw/zinc/48/41/84/426484184.db2.gz SKIFWDAVKPDXLI-OCCSQVGLSA-N 0 3 321.371 2.682 50 0 DFAAHN c1cncc(COC2CCN(Cc3cccc4nonc43)CC2)c1 ZINC000215300243 426554741 /nfs/dbraw/zinc/55/47/41/426554741.db2.gz MLODQXLQCKEHEW-UHFFFAOYSA-N 0 3 324.384 2.799 50 0 DFAAHN CN(C)C[C@@]1(CO)CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000215618775 426553270 /nfs/dbraw/zinc/55/32/70/426553270.db2.gz RHMZEMPSLUYASZ-INIZCTEOSA-N 0 3 314.832 2.615 50 0 DFAAHN CCCc1cc(C(=O)N(C)C[C@@H]2CCN(CCOC)C2)cs1 ZINC000219372888 426571789 /nfs/dbraw/zinc/57/17/89/426571789.db2.gz FNXADBXZLWQZHP-AWEZNQCLSA-N 0 3 324.490 2.741 50 0 DFAAHN COc1ccc([C@H](NC[C@@]2(O)CCOC2)c2ccccc2)cc1 ZINC000225561587 426606004 /nfs/dbraw/zinc/60/60/04/426606004.db2.gz UIMRGRXCUSGSHF-MOPGFXCFSA-N 0 3 313.397 2.526 50 0 DFAAHN CCn1ccc2c1cccc2CN1CC[C@@]2(CN(C)C(=O)O2)C1 ZINC000215918441 426555566 /nfs/dbraw/zinc/55/55/66/426555566.db2.gz OMIWUOJFTKRIDL-GOSISDBHSA-N 0 3 313.401 2.688 50 0 DFAAHN CCc1ccc(CN2CCCC[C@@H]2CCN2CCN(C)CC2)o1 ZINC000216257199 426558312 /nfs/dbraw/zinc/55/83/12/426558312.db2.gz YRTGDLCTPLHNGC-QGZVFWFLSA-N 0 3 319.493 2.834 50 0 DFAAHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3cccnc3)C[C@@H]12 ZINC000230109486 426642929 /nfs/dbraw/zinc/64/29/29/426642929.db2.gz UJNQMTCFQVUDIK-BZUAXINKSA-N 0 3 317.433 2.817 50 0 DFAAHN O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C[C@H]2CCCO2)C1 ZINC000239654493 426713030 /nfs/dbraw/zinc/71/30/30/426713030.db2.gz BOAIBHABMLPJFK-RBSFLKMASA-N 0 3 315.335 2.992 50 0 DFAAHN Cc1ccc(N2C(=O)C[C@H](N[C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000239434106 426713279 /nfs/dbraw/zinc/71/32/79/426713279.db2.gz YZOPMRBEEJYGBQ-KBMXLJTQSA-N 0 3 300.402 2.795 50 0 DFAAHN C[C@H](N[C@H]1CCC[C@@H]1CCO)c1nc2ccccc2c(=O)[nH]1 ZINC000240900760 426715436 /nfs/dbraw/zinc/71/54/36/426715436.db2.gz ITQMFQRJCYJRBB-SCRDCRAPSA-N 0 3 301.390 2.537 50 0 DFAAHN CN(CCn1cccn1)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244795872 426729037 /nfs/dbraw/zinc/72/90/37/426729037.db2.gz ROWCEGYNARFDEE-UHFFFAOYSA-N 0 3 321.380 2.839 50 0 DFAAHN COc1c[nH]c(CN(CC2CCC2)C[C@H]2CCCO2)cc1=O ZINC000244872832 426729244 /nfs/dbraw/zinc/72/92/44/426729244.db2.gz WFGPTTSWZVIUPH-OAHLLOKOSA-N 0 3 306.406 2.577 50 0 DFAAHN CC(=O)Nc1cccc(CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000245339018 426731842 /nfs/dbraw/zinc/73/18/42/426731842.db2.gz PZDVNEQDBPUAAA-BRWVUGGUSA-N 0 3 302.418 2.890 50 0 DFAAHN COc1cc(CN(C)C[C@@H]2CCC[C@H]2O)cc(Cl)c1OC ZINC000245339069 426732993 /nfs/dbraw/zinc/73/29/93/426732993.db2.gz QGXGUKNRGAGCGS-GXTWGEPZSA-N 0 3 313.825 2.950 50 0 DFAAHN CC(C)Cn1cc(CN[C@H]2CCCO[C@@H]2c2ccncc2)cn1 ZINC000275353387 426865305 /nfs/dbraw/zinc/86/53/05/426865305.db2.gz AGEGHAWUVGLCAB-ZWKOTPCHSA-N 0 3 314.433 2.944 50 0 DFAAHN CCS[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000189523274 426878669 /nfs/dbraw/zinc/87/86/69/426878669.db2.gz QENHRZCDOJUIIV-YNEHKIRRSA-N 0 3 311.451 2.964 50 0 DFAAHN CC(C)(C)OC(=O)N1Cc2ccc(CN[C@@H]3CCOC3)cc2C1 ZINC000189578562 426897535 /nfs/dbraw/zinc/89/75/35/426897535.db2.gz KQCYIZHSCORHRH-MRXNPFEDSA-N 0 3 318.417 2.816 50 0 DFAAHN O[C@H](CN1CCCC[C@H]1Cn1cccn1)c1ccc(F)c(F)c1 ZINC000247792405 426962589 /nfs/dbraw/zinc/96/25/89/426962589.db2.gz PEZOCEZKWUCQFR-WMLDXEAASA-N 0 3 321.371 2.749 50 0 DFAAHN C[C@@H]1CCCC[C@@H]1OCCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000248044542 426974433 /nfs/dbraw/zinc/97/44/33/426974433.db2.gz WNDJCXUNYBFWSG-QRVBRYPASA-N 0 3 324.509 2.768 50 0 DFAAHN CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 ZINC000248114254 426982086 /nfs/dbraw/zinc/98/20/86/426982086.db2.gz IGMLRLKPKYAZHI-UONOGXRCSA-N 0 3 320.458 2.520 50 0 DFAAHN CC(C)c1noc(-c2ccc(N3CCN4CCC[C@H]4C3)nc2)n1 ZINC000248190659 426985702 /nfs/dbraw/zinc/98/57/02/426985702.db2.gz KTTCSAMJMIBZRB-AWEZNQCLSA-N 0 3 313.405 2.539 50 0 DFAAHN CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sc(C)nc1C ZINC000249685434 427137048 /nfs/dbraw/zinc/13/70/48/427137048.db2.gz FTCKHEPIPSOXQO-ZIAGYGMSSA-N 0 3 307.463 2.849 50 0 DFAAHN CCCN(CC(=O)N1CCCCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000252680227 427192532 /nfs/dbraw/zinc/19/25/32/427192532.db2.gz XSAMKPNZIZKBET-OIISXLGYSA-N 0 3 308.466 2.524 50 0 DFAAHN Cc1cccnc1NC(=O)[C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000252674441 427193469 /nfs/dbraw/zinc/19/34/69/427193469.db2.gz SDANKROTULYTQA-HZPDHXFCSA-N 0 3 317.433 2.610 50 0 DFAAHN O[C@H]1CCOC2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC000253409337 427204633 /nfs/dbraw/zinc/20/46/33/427204633.db2.gz LRDSRORMHWKELX-INIZCTEOSA-N 0 3 300.402 2.674 50 0 DFAAHN COc1cccc(CN2CCC3(CC2)C[C@](C)(O)CCO3)c1 ZINC000257193490 427307753 /nfs/dbraw/zinc/30/77/53/427307753.db2.gz YMJRBFOPQJUCRH-QGZVFWFLSA-N 0 3 305.418 2.591 50 0 DFAAHN CCOc1ccc(CN2CCC(=O)N(CC3CC3)CC2)cc1 ZINC000299774293 427768450 /nfs/dbraw/zinc/76/84/50/427768450.db2.gz BPFYULWQSCSANA-UHFFFAOYSA-N 0 3 302.418 2.530 50 0 DFAAHN CSCC[C@H](N)C(=O)NCC1(c2cccc(F)c2)CCCC1 ZINC000299781571 427769016 /nfs/dbraw/zinc/76/90/16/427769016.db2.gz XCJKDNQYKUZWJF-HNNXBMFYSA-N 0 3 324.465 2.834 50 0 DFAAHN Cc1n[nH]c(C)c1CCN1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000299802127 427771356 /nfs/dbraw/zinc/77/13/56/427771356.db2.gz XFACPWAHHMTWGL-HNNXBMFYSA-N 0 3 312.417 2.559 50 0 DFAAHN C[C@H](Cn1cccn1)NC[C@H](O)c1cc(Cl)ccc1Cl ZINC000049075856 274500217 /nfs/dbraw/zinc/50/02/17/274500217.db2.gz PNTAXYRIXZDCPO-YGRLFVJLSA-N 0 3 314.216 2.902 50 0 DFAAHN C[C@H](Cn1cncn1)N[C@@H]1CCc2c1cccc2Br ZINC000091311796 274500923 /nfs/dbraw/zinc/50/09/23/274500923.db2.gz GYBSWFGTANYTDE-QMTHXVAHSA-N 0 3 321.222 2.706 50 0 DFAAHN 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426434861 /nfs/dbraw/zinc/43/48/61/426434861.db2.gz NUHUZOUMOUVADA-BBBYJDLNSA-N 0 3 304.425 2.589 50 0 DFAAHN OCCN(Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000096497159 426437419 /nfs/dbraw/zinc/43/74/19/426437419.db2.gz DTLUCVQPHQZTLA-UHFFFAOYSA-N 0 3 321.218 2.954 50 0 DFAAHN C[C@H](O)CN(C)Cc1ccc(Br)c2cccnc12 ZINC000097085965 426446860 /nfs/dbraw/zinc/44/68/60/426446860.db2.gz YYADRGRMJINQLV-JTQLQIEISA-N 0 3 309.207 2.810 50 0 DFAAHN O=C(Nc1ccncc1F)N1CCN(C2CCCCC2)CC1 ZINC000097135733 426452760 /nfs/dbraw/zinc/45/27/60/426452760.db2.gz XBBHWINHCHKJSZ-UHFFFAOYSA-N 0 3 306.385 2.703 50 0 DFAAHN COc1ccc(CNCc2cn(C)nc2-c2ccncc2)cc1 ZINC000097159731 426454678 /nfs/dbraw/zinc/45/46/78/426454678.db2.gz PADRQMQGDXLDBM-UHFFFAOYSA-N 0 3 308.385 2.781 50 0 DFAAHN Cc1cccc(CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 ZINC000097145898 426453894 /nfs/dbraw/zinc/45/38/94/426453894.db2.gz MHQPIYRDLIOQNB-HUUCEWRRSA-N 0 3 305.422 2.925 50 0 DFAAHN CCC[C@@H](N[C@H]1CN(Cc2ccccc2)C(C)(C)C1)C(=O)OC ZINC000097164444 426456111 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/nfs/dbraw/zinc/41/61/72/426416172.db2.gz NPHVZKKGYSVTFZ-KGLIPLIRSA-N 0 3 320.383 2.811 50 0 DFAAHN CCOC(=O)CCCCN1CCN(C2CCC(C)CC2)CC1 ZINC000096417427 426418096 /nfs/dbraw/zinc/41/80/96/426418096.db2.gz ZYQBMKGRRSDJBP-UHFFFAOYSA-N 0 3 310.482 2.916 50 0 DFAAHN O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000096423563 426420551 /nfs/dbraw/zinc/42/05/51/426420551.db2.gz ZDSVQLSPVAZQGX-CABCVRRESA-N 0 3 320.383 2.811 50 0 DFAAHN O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000096423562 426420672 /nfs/dbraw/zinc/42/06/72/426420672.db2.gz ZDSVQLSPVAZQGX-GJZGRUSLSA-N 0 3 320.383 2.811 50 0 DFAAHN Fc1ccc(C2(NCCOC[C@H]3CCCO3)CCOCC2)cc1 ZINC000096421119 426420679 /nfs/dbraw/zinc/42/06/79/426420679.db2.gz IEKTVBAVBXSRRV-QGZVFWFLSA-N 0 3 323.408 2.617 50 0 DFAAHN CS[C@H]1CCC[C@H]1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000096437562 426425056 /nfs/dbraw/zinc/42/50/56/426425056.db2.gz RZBNYWOIYNCJEJ-CVEARBPZSA-N 0 3 321.490 2.832 50 0 DFAAHN CCO[C@H]1CCCN(CCC(=O)Nc2cccc(OC)c2)C1 ZINC000096435749 426425260 /nfs/dbraw/zinc/42/52/60/426425260.db2.gz HKTPCJYHGNVWNE-INIZCTEOSA-N 0 3 306.406 2.525 50 0 DFAAHN C[C@H](CNCc1cnn(C)c1)Oc1ccccc1Br ZINC000096452785 426428808 /nfs/dbraw/zinc/42/88/08/426428808.db2.gz QCFYUNDGRABYJE-LLVKDONJSA-N 0 3 324.222 2.740 50 0 DFAAHN CC(C)=CCN1CCC(NC(=O)N[C@H](C)C2CCOCC2)CC1 ZINC000096474841 426432746 /nfs/dbraw/zinc/43/27/46/426432746.db2.gz LVJXRWSGCVIDDS-OAHLLOKOSA-N 0 3 323.481 2.531 50 0 DFAAHN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000096481298 426433151 /nfs/dbraw/zinc/43/31/51/426433151.db2.gz CQNZUNNJRFIZRY-XHSDSOJGSA-N 0 3 306.475 2.689 50 0 DFAAHN c1cc(CN(C[C@@H]2CCOC2)C2CC2)c2c(c1)OCCCO2 ZINC000096489691 426434135 /nfs/dbraw/zinc/43/41/35/426434135.db2.gz SNWZEHKHLHFTMC-AWEZNQCLSA-N 0 3 303.402 2.849 50 0 DFAAHN CN(Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@H]1CCOC1 ZINC000096490076 426436103 /nfs/dbraw/zinc/43/61/03/426436103.db2.gz OKJDYMQBFHSGRP-CYBMUJFWSA-N 0 3 305.809 2.994 50 0 DFAAHN CCOC(=O)N1CCC(N[C@H](c2nccs2)C2CC2)CC1 ZINC000096494305 426436277 /nfs/dbraw/zinc/43/62/77/426436277.db2.gz RXSUVMIOIFRREL-ZDUSSCGKSA-N 0 3 309.435 2.805 50 0 DFAAHN O=C(CCN1CCC[C@H](n2cccn2)C1)c1ccc(F)cc1 ZINC000096495498 426437235 /nfs/dbraw/zinc/43/72/35/426437235.db2.gz AWCXQAIBXKVPMW-INIZCTEOSA-N 0 3 301.365 2.932 50 0 DFAAHN CC(C)C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccccn1 ZINC000097038981 426441958 /nfs/dbraw/zinc/44/19/58/426441958.db2.gz UCJUAKTYEYRFPV-DOTOQJQBSA-N 0 3 320.433 2.681 50 0 DFAAHN Cc1noc(C)c1CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000097200843 426457723 /nfs/dbraw/zinc/45/77/23/426457723.db2.gz BUKLTPQHNBCAAP-HNNXBMFYSA-N 0 3 300.406 2.929 50 0 DFAAHN COc1cc(CN2CCCO[C@@H](CN3CCCC3)C2)ccc1F ZINC000097334335 426463195 /nfs/dbraw/zinc/46/31/95/426463195.db2.gz JOOVDUXZAJUDBE-INIZCTEOSA-N 0 3 322.424 2.521 50 0 DFAAHN C[C@H](CCN1CCN(C2CCOCC2)CC1)c1ccccc1 ZINC000097675245 426471815 /nfs/dbraw/zinc/47/18/15/426471815.db2.gz KVULBBJSQUDWKX-QGZVFWFLSA-N 0 3 302.462 2.977 50 0 DFAAHN 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COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC ZINC000004410284 181107372 /nfs/dbraw/zinc/10/73/72/181107372.db2.gz QDBBFORVWWODCU-YEWWUXTCSA-N 0 3 321.417 2.668 50 0 DFAAHN Cc1ccc2c(CN3CCCC[C@@H]3CCO)cc(=O)oc2c1 ZINC000005157014 181212171 /nfs/dbraw/zinc/21/21/71/181212171.db2.gz CWNHBBAHVWKHSF-OAHLLOKOSA-N 0 3 301.386 2.838 50 0 DFAAHN Cc1ccc(-c2cnn3c2nc(C)cc3NCCN(C)C)cc1 ZINC000005244883 181221108 /nfs/dbraw/zinc/22/11/08/181221108.db2.gz ODYIVMMCFXJIQM-UHFFFAOYSA-N 0 3 309.417 2.987 50 0 DFAAHN Nc1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)s1 ZINC000005462518 181246544 /nfs/dbraw/zinc/24/65/44/181246544.db2.gz WBSKGAZSJIETGN-LLVKDONJSA-N 0 3 320.443 2.576 50 0 DFAAHN CN1CCC[C@@H]1CNCc1ccccc1OCc1cccnc1 ZINC000237081818 202146760 /nfs/dbraw/zinc/14/67/60/202146760.db2.gz SEWQNMBTJVBPAW-GOSISDBHSA-N 0 3 311.429 2.844 50 0 DFAAHN Clc1cc2cccnc2c(CN[C@@H]2CCc3ncnn3C2)c1 ZINC000075603441 398812420 /nfs/dbraw/zinc/81/24/20/398812420.db2.gz GJEOOOXBTJWHBL-CQSZACIVSA-N 0 3 313.792 2.584 50 0 DFAAHN c1csc(CN2CCCN(CCc3ccccn3)CC2)c1 ZINC000075702043 398818780 /nfs/dbraw/zinc/81/87/80/398818780.db2.gz CVKMURPYWDVQBD-UHFFFAOYSA-N 0 3 301.459 2.894 50 0 DFAAHN FC(F)(F)c1ccn([C@H]2CCCN(CC3=CCCOC3)C2)n1 ZINC000180799365 199210790 /nfs/dbraw/zinc/21/07/90/199210790.db2.gz DLCSDPNTDRXARC-ZDUSSCGKSA-N 0 3 315.339 2.886 50 0 DFAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H]1CCCOC1 ZINC000237762539 202349353 /nfs/dbraw/zinc/34/93/53/202349353.db2.gz FTLDTMXOCKNYBB-OAHLLOKOSA-N 0 3 303.381 2.897 50 0 DFAAHN C[C@@H]1CN(CCC2CCN(CC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000089930306 192908829 /nfs/dbraw/zinc/90/88/29/192908829.db2.gz YXFJDYBIHYYYGS-CHWSQXEVSA-N 0 3 308.388 2.760 50 0 DFAAHN CCCCOCCCNCC(=O)Nc1ccc(OCC)cc1 ZINC000006429212 181340811 /nfs/dbraw/zinc/34/08/11/181340811.db2.gz WFGBCCIJASDKQP-UHFFFAOYSA-N 0 3 308.422 2.820 50 0 DFAAHN Cc1ccnc(N2CCC[C@H](N(C)Cc3ccccn3)CC2)n1 ZINC000275522871 212391610 /nfs/dbraw/zinc/39/16/10/212391610.db2.gz DFNKIHPPUOLLES-KRWDZBQOSA-N 0 3 311.433 2.671 50 0 DFAAHN 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DFAAHN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC1CCN(C)CC1 ZINC000016605168 182053142 /nfs/dbraw/zinc/05/31/42/182053142.db2.gz SAJPIDYVGQFHES-QGZVFWFLSA-N 0 3 304.434 2.671 50 0 DFAAHN CC(C)=CCN1CCN(Cc2sccc2C)C[C@@H]1CCO ZINC000019720950 182138418 /nfs/dbraw/zinc/13/84/18/182138418.db2.gz IDBODEUXRLBXAR-INIZCTEOSA-N 0 3 308.491 2.891 50 0 DFAAHN OCC[C@H]1CN(C2CCCC2)CCN1Cc1ccc(F)cc1 ZINC000019761088 182144495 /nfs/dbraw/zinc/14/44/95/182144495.db2.gz ZFLIAIWBRLGAGA-SFHVURJKSA-N 0 3 306.425 2.637 50 0 DFAAHN CCOc1ccccc1CN1CCN(CC(C)C)C[C@@H]1CCO ZINC000020387700 182213836 /nfs/dbraw/zinc/21/38/36/182213836.db2.gz SNQRTWDCKYYNBU-SFHVURJKSA-N 0 3 320.477 2.610 50 0 DFAAHN CCN1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000020519275 182226496 /nfs/dbraw/zinc/22/64/96/182226496.db2.gz JACNHBKAGKCAHK-UHFFFAOYSA-N 0 3 300.402 2.547 50 0 DFAAHN CCCN(CC1CC1)[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000020807316 182247922 /nfs/dbraw/zinc/24/79/22/182247922.db2.gz FQNRHDOCDDVKOR-INIZCTEOSA-N 0 3 300.402 2.749 50 0 DFAAHN CCCOc1ccc(Cl)cc1CNCCN1CCOCC1 ZINC000020967801 182256471 /nfs/dbraw/zinc/25/64/71/182256471.db2.gz VULDISHIQJBHDN-UHFFFAOYSA-N 0 3 312.841 2.551 50 0 DFAAHN CC(C)N1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020996203 182258265 /nfs/dbraw/zinc/25/82/65/182258265.db2.gz JCMPIWLFAZATLO-INIZCTEOSA-N 0 3 302.418 2.710 50 0 DFAAHN CCN(CCNc1ncnc2onc(C)c21)Cc1ccccc1 ZINC000021714711 182284642 /nfs/dbraw/zinc/28/46/42/182284642.db2.gz UDHGXSZJCPQXTA-UHFFFAOYSA-N 0 3 311.389 2.860 50 0 DFAAHN Cc1ccsc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000022682041 182330205 /nfs/dbraw/zinc/33/02/05/182330205.db2.gz LUASFMPQWFFGPO-OAHLLOKOSA-N 0 3 302.443 2.959 50 0 DFAAHN COCCN1CCC(CNC(=O)c2c(C)cc(C)cc2C)CC1 ZINC000023127939 182349558 /nfs/dbraw/zinc/34/95/58/182349558.db2.gz MRIZDNYVSKTTID-UHFFFAOYSA-N 0 3 318.461 2.700 50 0 DFAAHN CCN1CCC[C@@H]1CNC(=O)CSCc1cccc(C)c1 ZINC000040025502 183028741 /nfs/dbraw/zinc/02/87/41/183028741.db2.gz DBGHORPJPJBCLH-MRXNPFEDSA-N 0 3 306.475 2.829 50 0 DFAAHN CCOc1cccc(CN2CCN(CC(C)C)[C@H](CCO)C2)c1 ZINC000039489980 183019230 /nfs/dbraw/zinc/01/92/30/183019230.db2.gz PGUNDTDDZFZPQP-GOSISDBHSA-N 0 3 320.477 2.610 50 0 DFAAHN CC(C)c1ccc(NC(=O)[C@H](C)N2CCCN(C)CC2)cc1 ZINC000040161239 183041428 /nfs/dbraw/zinc/04/14/28/183041428.db2.gz CMXSUAGHADDHIK-HNNXBMFYSA-N 0 3 303.450 2.775 50 0 DFAAHN CC[C@@H](C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000041577928 183206519 /nfs/dbraw/zinc/20/65/19/183206519.db2.gz QJPZEQFYRFGDEM-OAHLLOKOSA-N 0 3 303.450 2.809 50 0 DFAAHN Cc1nccn1Cc1cccc(CNc2cc(C)nc(N)n2)c1 ZINC000051856376 425883527 /nfs/dbraw/zinc/88/35/27/425883527.db2.gz NXCGPAIAPWXTHU-UHFFFAOYSA-N 0 3 308.389 2.533 50 0 DFAAHN CC(C)n1cc([C@@]2(O)CCN(c3ccnc4ccccc43)C2)nn1 ZINC000284694964 218137824 /nfs/dbraw/zinc/13/78/24/218137824.db2.gz YFXGBSATDAMRGQ-GOSISDBHSA-N 0 3 323.400 2.505 50 0 DFAAHN Cc1cc(N2CCC(N[C@H](C)c3ccccn3)CC2)nc(C)n1 ZINC000159317528 197345240 /nfs/dbraw/zinc/34/52/40/197345240.db2.gz NNEFYOJEIHVNIP-CQSZACIVSA-N 0 3 311.433 2.808 50 0 DFAAHN CC(C)N(CCC(=O)Nc1ccccc1)Cc1cnn(C)c1 ZINC000055920343 184000929 /nfs/dbraw/zinc/00/09/29/184000929.db2.gz CGBUIPWGFOABMG-UHFFFAOYSA-N 0 3 300.406 2.659 50 0 DFAAHN O[C@H](CNCc1cccc2c1OCCO2)c1ccc(F)c(F)c1 ZINC000058030544 184069843 /nfs/dbraw/zinc/06/98/43/184069843.db2.gz CBKNQYMYMLWYHT-OAHLLOKOSA-N 0 3 321.323 2.559 50 0 DFAAHN CCn1c(CNC2CCN(CC(F)F)CC2)nc2ccccc21 ZINC000057977855 184063859 /nfs/dbraw/zinc/06/38/59/184063859.db2.gz TVCIVSKWTCBUAA-UHFFFAOYSA-N 0 3 322.403 2.875 50 0 DFAAHN CCN1CCN([C@H](C)CNc2nc3ccccc3s2)CC1 ZINC000058015481 184067520 /nfs/dbraw/zinc/06/75/20/184067520.db2.gz TZZZJSDSRCECSS-CYBMUJFWSA-N 0 3 304.463 2.734 50 0 DFAAHN COc1ccc(C)cc1[C@@H](C)NC[C@H]1CNc2ccnn2C1 ZINC000058344813 184107397 /nfs/dbraw/zinc/10/73/97/184107397.db2.gz YQBFNYNHQQJNHE-KGLIPLIRSA-N 0 3 300.406 2.593 50 0 DFAAHN CCN(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)C(C)C ZINC000058268069 184097884 /nfs/dbraw/zinc/09/78/84/184097884.db2.gz ILROQYXXKXPQTM-CYBMUJFWSA-N 0 3 308.422 2.611 50 0 DFAAHN C/C=C/C=C/C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000058280966 184099526 /nfs/dbraw/zinc/09/95/26/184099526.db2.gz SCHPQYROLOLLQW-PRKJJMSOSA-N 0 3 314.429 2.908 50 0 DFAAHN COCc1ccccc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000058283561 184100149 /nfs/dbraw/zinc/10/01/49/184100149.db2.gz FESOGIYEVSKLKI-HNNXBMFYSA-N 0 3 304.434 2.683 50 0 DFAAHN COCCNC(=O)CCNCc1cc(-c2ccccc2)cs1 ZINC000058308704 184103648 /nfs/dbraw/zinc/10/36/48/184103648.db2.gz MAVXCZZSXLWVJG-UHFFFAOYSA-N 0 3 318.442 2.657 50 0 DFAAHN COc1c(CNCCCn2ccc3ccccc32)c(C)nn1C ZINC000058311938 184104312 /nfs/dbraw/zinc/10/43/12/184104312.db2.gz WKZFACNFBSEHQV-UHFFFAOYSA-N 0 3 312.417 2.872 50 0 DFAAHN Cc1ccc([C@H](CNC(=O)c2[nH]nc3ccccc32)N(C)C)cc1 ZINC000060156156 184145187 /nfs/dbraw/zinc/14/51/87/184145187.db2.gz HIUXUFLXEASMHB-KRWDZBQOSA-N 0 3 322.412 2.904 50 0 DFAAHN C[C@H]1CN(C)CC[C@@H]1NC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000052193692 425883932 /nfs/dbraw/zinc/88/39/32/425883932.db2.gz AGNDTFYHYGCJKN-GWCFXTLKSA-N 0 3 316.779 2.888 50 0 DFAAHN COc1ccnc(NC[C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000065201926 184314674 /nfs/dbraw/zinc/31/46/74/184314674.db2.gz TVZXSTABBLYILF-INIZCTEOSA-N 0 3 312.417 2.952 50 0 DFAAHN Cc1cc(-n2nc(C3CC3)nc2-c2ccccc2C(N)=O)ccn1 ZINC000065432939 184344227 /nfs/dbraw/zinc/34/42/27/184344227.db2.gz KDSFKPXOROESKR-UHFFFAOYSA-N 0 3 319.368 2.614 50 0 DFAAHN CC(=O)Nc1cccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000065568539 184367684 /nfs/dbraw/zinc/36/76/84/184367684.db2.gz VINDRTMUVXOYNR-MJBXVCDLSA-N 0 3 317.433 2.523 50 0 DFAAHN CCN(C(=O)c1cc[nH]n1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000065605499 184371326 /nfs/dbraw/zinc/37/13/26/184371326.db2.gz WTMZFMAWSYKQON-GOEBONIOSA-N 0 3 312.417 2.707 50 0 DFAAHN CCN(C(=O)c1ccn[nH]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000065605499 184371327 /nfs/dbraw/zinc/37/13/27/184371327.db2.gz WTMZFMAWSYKQON-GOEBONIOSA-N 0 3 312.417 2.707 50 0 DFAAHN O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCCCC1)c1ccccc1 ZINC000000204578 285043205 /nfs/dbraw/zinc/04/32/05/285043205.db2.gz VMTJGDBWKBKRKG-IRXDYDNUSA-N 0 3 322.474 2.762 50 0 DFAAHN C[C@@H](NC(=O)CCN1CCOC2(CCCC2)C1)c1ccccc1 ZINC000158452679 197274198 /nfs/dbraw/zinc/27/41/98/197274198.db2.gz LZYSHHLUTIOYGG-MRXNPFEDSA-N 0 3 316.445 2.899 50 0 DFAAHN CN1CCN(CCNCc2sc3ccccc3c2Cl)CC1 ZINC000037979295 542433638 /nfs/dbraw/zinc/43/36/38/542433638.db2.gz AUFWBVRVUJLMOV-UHFFFAOYSA-N 0 3 323.893 2.892 50 0 DFAAHN CC1=CCN(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)CC1 ZINC000426599026 257246091 /nfs/dbraw/zinc/24/60/91/257246091.db2.gz WNGHQNHWUGJWTJ-GOSISDBHSA-N 0 3 313.445 2.838 50 0 DFAAHN CN(CCSc1ccccc1)C(=O)NC[C@@H]1CCCCN1C ZINC000426477354 257249368 /nfs/dbraw/zinc/24/93/68/257249368.db2.gz IHDZSUDNIFJEAM-HNNXBMFYSA-N 0 3 321.490 2.904 50 0 DFAAHN C[C@@H]1CCCC[C@@H]1OCCN1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000240756935 257259617 /nfs/dbraw/zinc/25/96/17/257259617.db2.gz HVODARJXFICTGP-NRKLIOEPSA-N 0 3 308.466 2.700 50 0 DFAAHN COc1ccc(-n2cccn2)c(CN(C)CCc2ccccn2)c1 ZINC000216071942 542874934 /nfs/dbraw/zinc/87/49/34/542874934.db2.gz SYQMMQHWPJYTDZ-UHFFFAOYSA-N 0 3 322.412 2.950 50 0 DFAAHN c1ccc2nc(CN3CCNC[C@H]3c3cccnc3)ccc2c1 ZINC000262271097 146347297 /nfs/dbraw/zinc/34/72/97/146347297.db2.gz SMAKQMBKWDMDBK-IBGZPJMESA-N 0 3 304.397 2.776 50 0 DFAAHN C[C@@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000170070573 286906627 /nfs/dbraw/zinc/90/66/27/286906627.db2.gz QRHOOHSESHMTFI-GIPNMCIBSA-N 0 3 300.324 2.962 50 0 DFAAHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(F)c(F)c1 ZINC000095990380 287033953 /nfs/dbraw/zinc/03/39/53/287033953.db2.gz RPNKDPVNXGNGKQ-DGCLKSJQSA-N 0 3 313.344 2.538 50 0 DFAAHN Cc1nn(C)c2ncc(CN[C@H]3CC(C)(C)OC3(C)C)cc12 ZINC000130525169 196087337 /nfs/dbraw/zinc/08/73/37/196087337.db2.gz JIBGFLCUNKQGDK-AWEZNQCLSA-N 0 3 302.422 2.712 50 0 DFAAHN CC(C)(C)n1cc(CNCCC(=O)NC2CCCCC2)cn1 ZINC000054203391 425889637 /nfs/dbraw/zinc/88/96/37/425889637.db2.gz LXOBCDNZVIRCIP-UHFFFAOYSA-N 0 3 306.454 2.567 50 0 DFAAHN Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H]3C=CCN3)c2)cc1 ZINC000055154149 425892234 /nfs/dbraw/zinc/89/22/34/425892234.db2.gz AEAQHRQYGZTQAJ-KRWDZBQOSA-N 0 3 321.380 2.714 50 0 DFAAHN CC[C@H](CO)N(Cc1cnn(CC)c1)Cc1ccccc1C ZINC000055169064 425892423 /nfs/dbraw/zinc/89/24/23/425892423.db2.gz RPPHMKYRBISSOS-GOSISDBHSA-N 0 3 301.434 2.985 50 0 DFAAHN COc1ccc(NC(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000056502881 425895448 /nfs/dbraw/zinc/89/54/48/425895448.db2.gz DCWHGDATGBPTRG-UONOGXRCSA-N 0 3 305.422 2.937 50 0 DFAAHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccncc1 ZINC000058307995 425897635 /nfs/dbraw/zinc/89/76/35/425897635.db2.gz CSIVONIJDPNRKL-UHFFFAOYSA-N 0 3 311.429 2.718 50 0 DFAAHN COc1ccc(OC)c([C@@H]2NCC[C@@]23c2ccccc2NC3=O)c1 ZINC000062001653 425899793 /nfs/dbraw/zinc/89/97/93/425899793.db2.gz WYZHVMFGJGFGFV-PKOBYXMFSA-N 0 3 324.380 2.628 50 0 DFAAHN Clc1ccccc1C1(CNCc2ncc[nH]2)CCOCC1 ZINC000066594114 425905154 /nfs/dbraw/zinc/90/51/54/425905154.db2.gz XJJOEECVHFTKTN-UHFFFAOYSA-N 0 3 305.809 2.901 50 0 DFAAHN COc1ccccc1CCc1nc(CC2CCN(C)CC2)no1 ZINC000067489677 425910994 /nfs/dbraw/zinc/91/09/94/425910994.db2.gz OXIPHLCDVMZCQO-UHFFFAOYSA-N 0 3 315.417 2.748 50 0 DFAAHN O=C(C[C@@H]1CCCO1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000067361336 425910101 /nfs/dbraw/zinc/91/01/01/425910101.db2.gz MQOHATDNKJOHBF-ROUUACIJSA-N 0 3 316.445 2.584 50 0 DFAAHN COc1ccc(CC(=O)N[C@H](C2=CCCN(C)C2)C(C)C)cc1 ZINC000067541051 425911342 /nfs/dbraw/zinc/91/13/42/425911342.db2.gz NUQXHSJDSDPKRU-IBGZPJMESA-N 0 3 316.445 2.640 50 0 DFAAHN Cc1nc([C@@](C)(N)Cc2ccccc2)n(-c2ccncc2C)n1 ZINC000067649435 425912027 /nfs/dbraw/zinc/91/20/27/425912027.db2.gz ZUSWYCKNRKWWAF-SFHVURJKSA-N 0 3 307.401 2.696 50 0 DFAAHN O[C@@H]1CN(Cc2ccsc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067755107 425912954 /nfs/dbraw/zinc/91/29/54/425912954.db2.gz FJAULSZTEUJTBV-LSDHHAIUSA-N 0 3 317.410 2.827 50 0 DFAAHN CCOc1ccc2[nH]c(=O)c(CN(C)C3(COC)CC3)cc2c1 ZINC000067755893 425913028 /nfs/dbraw/zinc/91/30/28/425913028.db2.gz YZBKHOZFPZJRKW-UHFFFAOYSA-N 0 3 316.401 2.538 50 0 DFAAHN CN1CCC(Cc2noc(-c3nc4c(s3)CCCC4)n2)CC1 ZINC000067894900 425914637 /nfs/dbraw/zinc/91/46/37/425914637.db2.gz ISBOZBLADVYVJR-UHFFFAOYSA-N 0 3 318.446 2.956 50 0 DFAAHN Cc1cc(C)n(C[C@H](C)NCc2[nH]nc3c2CCCCC3)n1 ZINC000067879760 425914147 /nfs/dbraw/zinc/91/41/47/425914147.db2.gz PKOPWEQGPXAZHN-ZDUSSCGKSA-N 0 3 301.438 2.670 50 0 DFAAHN Cc1cc(C)n(C[C@H](C)NCc2n[nH]c3c2CCCCC3)n1 ZINC000067879760 425914148 /nfs/dbraw/zinc/91/41/48/425914148.db2.gz PKOPWEQGPXAZHN-ZDUSSCGKSA-N 0 3 301.438 2.670 50 0 DFAAHN C[C@@H](NC(C)(C)CNC(=O)[C@H](C)n1ccnc1)c1ccccc1 ZINC000068385356 425917471 /nfs/dbraw/zinc/91/74/71/425917471.db2.gz ZJGTZWDAOWDFGC-CABCVRRESA-N 0 3 314.433 2.690 50 0 DFAAHN CCOCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000069390158 425937540 /nfs/dbraw/zinc/93/75/40/425937540.db2.gz ZEVDKSVDYOFMAD-QZTJIDSGSA-N 0 3 316.445 2.679 50 0 DFAAHN O=C1CS[C@H](c2ccccc2F)N1CCN1CCCCC1 ZINC000000072752 425532595 /nfs/dbraw/zinc/53/25/95/425532595.db2.gz FGWXEXUSDQKKKR-MRXNPFEDSA-N 0 3 308.422 2.886 50 0 DFAAHN O=C(c1ccco1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000000355338 425555599 /nfs/dbraw/zinc/55/55/99/425555599.db2.gz FZHLZWPYJQQFIV-UHFFFAOYSA-N 0 3 314.429 2.862 50 0 DFAAHN CCc1ccc(NC2=[NH+][C@@H](C(=O)c3ccccc3)C=C([O-])N2)cc1 ZINC000000528411 425566268 /nfs/dbraw/zinc/56/62/68/425566268.db2.gz RFAVZMIYSKIJAD-MRXNPFEDSA-N 0 3 321.380 2.788 50 0 DFAAHN COCCNCCOc1ccc(OCc2ccccc2)cc1 ZINC000003002169 425608923 /nfs/dbraw/zinc/60/89/23/425608923.db2.gz RIENOJLXXCTTFT-UHFFFAOYSA-N 0 3 301.386 2.880 50 0 DFAAHN COc1ccc(CNC[C@@H]2COc3ccccc3O2)cc1OC ZINC000000249314 425547683 /nfs/dbraw/zinc/54/76/83/425547683.db2.gz WVGCVRBBOVVHOC-CQSZACIVSA-N 0 3 315.369 2.633 50 0 DFAAHN c1cn(-c2ccc(CNC[C@@H]3COc4ccccc4O3)cc2)cn1 ZINC000008706495 425672330 /nfs/dbraw/zinc/67/23/30/425672330.db2.gz YHLZUUFFANPDNE-QGZVFWFLSA-N 0 3 321.380 2.802 50 0 DFAAHN CN1CCCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 ZINC000003265549 425613345 /nfs/dbraw/zinc/61/33/45/425613345.db2.gz VWCBGYZESPOXLJ-UHFFFAOYSA-N 0 3 315.389 2.622 50 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ABCQJHGTLYZORT-GOSISDBHSA-N 0 3 317.396 2.690 50 0 DFAAHN O=C(N1CCCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091304064 426341690 /nfs/dbraw/zinc/34/16/90/426341690.db2.gz RZRZKENQRMPFQC-QZTJIDSGSA-N 0 3 313.445 2.799 50 0 DFAAHN Cc1cccnc1N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095375322 426369932 /nfs/dbraw/zinc/36/99/32/426369932.db2.gz CVUGDLZYMXWDGX-MRXNPFEDSA-N 0 3 313.449 2.532 50 0 DFAAHN CCn1cc(CN2C[C@H]3CC[C@H](CN3CC=C(C)C)C2)cn1 ZINC000095380404 426371002 /nfs/dbraw/zinc/37/10/02/426371002.db2.gz LXJQNDYRVIFUOO-FUHWJXTLSA-N 0 3 302.466 2.765 50 0 DFAAHN Cc1cc(N2CC[C@@]3(C2)CCCN(C)C3=O)c2ccccc2n1 ZINC000095391498 426372683 /nfs/dbraw/zinc/37/26/83/426372683.db2.gz GHELWMQPEKOAME-LJQANCHMSA-N 0 3 309.413 2.992 50 0 DFAAHN O=C(C[C@@H]1CNCCO1)Nc1ccc(Oc2ccccc2)cc1 ZINC000095962140 426378061 /nfs/dbraw/zinc/37/80/61/426378061.db2.gz HCHHHDAPDNHEKK-QGZVFWFLSA-N 0 3 312.369 2.796 50 0 DFAAHN C[C@@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)C[C@H](C)N1 ZINC000153262318 426378715 /nfs/dbraw/zinc/37/87/15/426378715.db2.gz UPWWZCMEZXBGCA-OKILXGFUSA-N 0 3 311.385 2.696 50 0 DFAAHN CCS(=O)(=O)CCN[C@@H](C)c1ccc(OC)c2ccccc21 ZINC000095967650 426379792 /nfs/dbraw/zinc/37/97/92/426379792.db2.gz WTXKXLXRJBPRGE-ZDUSSCGKSA-N 0 3 321.442 2.934 50 0 DFAAHN C[C@H](CN[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccsc1 ZINC000095985066 426382327 /nfs/dbraw/zinc/38/23/27/426382327.db2.gz RVSSIORKJRXYSK-XBFCOCLRSA-N 0 3 301.477 2.797 50 0 DFAAHN C[C@@H](CN[C@@H](C)c1ccc(F)c(Cl)c1)CS(C)(=O)=O ZINC000095984594 426382414 /nfs/dbraw/zinc/38/24/14/426382414.db2.gz IGJKJJFXTKBLRO-UWVGGRQHSA-N 0 3 307.818 2.810 50 0 DFAAHN C[C@H](CN[C@@H](C)c1ccc(F)c(Cl)c1)CS(C)(=O)=O ZINC000095984595 426382434 /nfs/dbraw/zinc/38/24/34/426382434.db2.gz IGJKJJFXTKBLRO-ZJUUUORDSA-N 0 3 307.818 2.810 50 0 DFAAHN CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(CN)nc1C ZINC000095982134 426382828 /nfs/dbraw/zinc/38/28/28/426382828.db2.gz UMBNFYKHWJKXGJ-SFHVURJKSA-N 0 3 309.413 2.998 50 0 DFAAHN Cc1ncsc1CCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000095984376 426382910 /nfs/dbraw/zinc/38/29/10/426382910.db2.gz IBAMBOFBMWKQCA-LLVKDONJSA-N 0 3 324.471 2.748 50 0 DFAAHN O[C@@H](C[C@@H]1CCCCCN1CC1OCCO1)c1cccs1 ZINC000095992518 426384868 /nfs/dbraw/zinc/38/48/68/426384868.db2.gz CPIUJSASUPWAER-KBPBESRZSA-N 0 3 311.447 2.789 50 0 DFAAHN Cc1cc2[nH]c(C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)cc2c(C)c1 ZINC000095995450 426385978 /nfs/dbraw/zinc/38/59/78/426385978.db2.gz SDNDDLHSOPLSIE-KDOFPFPSSA-N 0 3 311.429 2.951 50 0 DFAAHN CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)C1CCCC1 ZINC000096403773 426414880 /nfs/dbraw/zinc/41/48/80/426414880.db2.gz VGSZXYJQHVZIMI-LBPRGKRZSA-N 0 3 301.452 2.523 50 0 DFAAHN O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000096407457 426415845 /nfs/dbraw/zinc/41/58/45/426415845.db2.gz NPHVZKKGYSVTFZ-KBPBESRZSA-N 0 3 320.383 2.811 50 0 DFAAHN O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000096423565 426420861 /nfs/dbraw/zinc/42/08/61/426420861.db2.gz ZDSVQLSPVAZQGX-HUUCEWRRSA-N 0 3 320.383 2.811 50 0 DFAAHN CO[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000096437561 426425300 /nfs/dbraw/zinc/42/53/00/426425300.db2.gz JVPLDKVTICOKQD-DLBZAZTESA-N 0 3 319.449 2.505 50 0 DFAAHN Cn1cccc1C(=O)OC1CCN(Cc2ccsc2)CC1 ZINC000096442742 426426623 /nfs/dbraw/zinc/42/66/23/426426623.db2.gz HEWBRBQQYBHSLN-UHFFFAOYSA-N 0 3 304.415 2.908 50 0 DFAAHN Cc1cc2cc(CN[C@H](C)CN3CCN(C)CC3)oc2cc1C ZINC000096453974 426430565 /nfs/dbraw/zinc/43/05/65/426430565.db2.gz LYTFXQJSHKIHQV-MRXNPFEDSA-N 0 3 315.461 2.775 50 0 DFAAHN COc1ccc(C)cc1[C@H](C)NC[C@@H](c1cnn(C)c1)N(C)C ZINC000096477905 426433011 /nfs/dbraw/zinc/43/30/11/426433011.db2.gz LTANNJCWTFQUNI-YOEHRIQHSA-N 0 3 316.449 2.691 50 0 DFAAHN C[C@@H](Cc1ccc2ccccc2c1)N[C@@H](C)CS(C)(=O)=O ZINC000096491621 426435957 /nfs/dbraw/zinc/43/59/57/426435957.db2.gz PQEOORLGBPUYKD-KBPBESRZSA-N 0 3 305.443 2.794 50 0 DFAAHN CS(=O)(=O)CCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000096492225 426436092 /nfs/dbraw/zinc/43/60/92/426436092.db2.gz FCZZWVHDQUOMFU-UHFFFAOYSA-N 0 3 317.401 2.758 50 0 DFAAHN COc1ccc([C@H](C)NCC[C@H](C)O)c(Br)c1 ZINC000097034539 426440366 /nfs/dbraw/zinc/44/03/66/426440366.db2.gz OUSZWJBLDVHEDJ-UWVGGRQHSA-N 0 3 302.212 2.879 50 0 DFAAHN COC(=O)c1cc(CN[C@@H]2CCCC[C@@H]2n2cccn2)oc1C ZINC000097034992 426441662 /nfs/dbraw/zinc/44/16/62/426441662.db2.gz AREMRIHWIJNXFM-CVEARBPZSA-N 0 3 317.389 2.845 50 0 DFAAHN CN1CCN([C@H]2CCCCN(Cc3ccc(F)cc3F)C2)CC1 ZINC000097048484 426443389 /nfs/dbraw/zinc/44/33/89/426443389.db2.gz SCICXWHRRPXDCF-KRWDZBQOSA-N 0 3 323.431 2.567 50 0 DFAAHN CC(C)n1cc2cc(NC(=O)N3CCCN(C)CC3)ccc2n1 ZINC000097052188 426443539 /nfs/dbraw/zinc/44/35/39/426443539.db2.gz AMDUYTYUGGTUPE-UHFFFAOYSA-N 0 3 315.421 2.787 50 0 DFAAHN COc1ccc2c(c1)CCC[C@@H]2CNCc1ccc(CO)o1 ZINC000097145321 426453828 /nfs/dbraw/zinc/45/38/28/426453828.db2.gz GNKQTQLJMJJIRZ-CQSZACIVSA-N 0 3 301.386 2.990 50 0 DFAAHN C[C@@H](NCC(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000097374206 426463727 /nfs/dbraw/zinc/46/37/27/426463727.db2.gz PRAJECVZKFUIER-NOZJJQNGSA-N 0 3 300.761 2.575 50 0 DFAAHN Cc1nscc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000097378867 426465185 /nfs/dbraw/zinc/46/51/85/426465185.db2.gz VNBVUSLZNJXJSS-BLLLJJGKSA-N 0 3 315.442 2.702 50 0 DFAAHN CN(C)Cc1csc(CN2CCC(Cn3ccnc3)CC2)c1 ZINC000097631948 426470788 /nfs/dbraw/zinc/47/07/88/426470788.db2.gz DFKFQHDLHFAQNT-UHFFFAOYSA-N 0 3 318.490 2.918 50 0 DFAAHN c1ccc([C@@H]2CN(c3nccc(-c4ccccn4)n3)CCN2)cc1 ZINC000097657229 426472697 /nfs/dbraw/zinc/47/26/97/426472697.db2.gz PLXQIBMKHQZGKK-SFHVURJKSA-N 0 3 317.396 2.690 50 0 DFAAHN C[C@H]1CCCCN1C1CN(c2nccc(-c3ccccn3)n2)C1 ZINC000097713543 426473271 /nfs/dbraw/zinc/47/32/71/426473271.db2.gz IJNBFPODHKAGHG-AWEZNQCLSA-N 0 3 309.417 2.602 50 0 DFAAHN COCCOCCN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000177974257 426550057 /nfs/dbraw/zinc/55/00/57/426550057.db2.gz DPHOQXOYABTDRN-CQSZACIVSA-N 0 3 324.490 2.864 50 0 DFAAHN Cc1[nH]c2c(cccc2CN2C[C@H]3CC[C@@H](C2)N(C)C3=O)c1C ZINC000215368707 426553718 /nfs/dbraw/zinc/55/37/18/426553718.db2.gz IPDARXLCBCQWSQ-CVEARBPZSA-N 0 3 311.429 2.837 50 0 DFAAHN COc1ccc(Cl)cc1C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000219103213 426570777 /nfs/dbraw/zinc/57/07/77/426570777.db2.gz VBZWBODLJHDSBI-OLZOCXBDSA-N 0 3 308.809 2.657 50 0 DFAAHN CCCc1cc(C(=O)N(C)C[C@H]2CCN(CCOC)C2)cs1 ZINC000219372956 426571547 /nfs/dbraw/zinc/57/15/47/426571547.db2.gz FNXADBXZLWQZHP-CQSZACIVSA-N 0 3 324.490 2.741 50 0 DFAAHN CCN(CCN1CCCCCC1)C(=O)[C@@H](O)c1ccc(F)cc1 ZINC000222437337 426583795 /nfs/dbraw/zinc/58/37/95/426583795.db2.gz KIVYNMHAKZJSCP-KRWDZBQOSA-N 0 3 322.424 2.584 50 0 DFAAHN COCCCN1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000225502215 426603450 /nfs/dbraw/zinc/60/34/50/426603450.db2.gz SDFKIJQKXDQLTD-UHFFFAOYSA-N 0 3 303.328 2.711 50 0 DFAAHN CCOc1cccc2cc([C@@H](C)NC[C@@]3(O)CCOC3)oc21 ZINC000225549704 426606085 /nfs/dbraw/zinc/60/60/85/426606085.db2.gz JIJIPGJAPDMTIV-PXAZEXFGSA-N 0 3 305.374 2.634 50 0 DFAAHN CNC(=O)C[C@@H](C)N(C)Cc1ccccc1OC1CCCC1 ZINC000216177239 426556343 /nfs/dbraw/zinc/55/63/43/426556343.db2.gz YIXOKLPLRSGJQQ-CQSZACIVSA-N 0 3 304.434 2.964 50 0 DFAAHN CNC(=O)C[C@H](C)N(C)Cc1ccccc1OC1CCCC1 ZINC000216177196 426558775 /nfs/dbraw/zinc/55/87/75/426558775.db2.gz YIXOKLPLRSGJQQ-AWEZNQCLSA-N 0 3 304.434 2.964 50 0 DFAAHN Cc1csc(N2CCCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000229452325 426636615 /nfs/dbraw/zinc/63/66/15/426636615.db2.gz SPRFLMNHKRHKDK-MRXNPFEDSA-N 0 3 317.458 2.697 50 0 DFAAHN c1cc2c(cccc2CNCc2cccnc2N2CCOCC2)[nH]1 ZINC000236703658 426679228 /nfs/dbraw/zinc/67/92/28/426679228.db2.gz NRBFSTBGVYYASD-UHFFFAOYSA-N 0 3 322.412 2.689 50 0 DFAAHN O[C@H](c1ccccn1)C1CCN(CCOc2ccccc2)CC1 ZINC000244659470 426722826 /nfs/dbraw/zinc/72/28/26/426722826.db2.gz HDFUPJSSHGNBEM-IBGZPJMESA-N 0 3 312.413 2.906 50 0 DFAAHN Cc1cnn(CCCN2CCC[C@H](OCc3ccccn3)C2)c1 ZINC000244741866 426726040 /nfs/dbraw/zinc/72/60/40/426726040.db2.gz NYDXCYBCLOZBGS-SFHVURJKSA-N 0 3 314.433 2.658 50 0 DFAAHN c1ccc2c(c1)OC[C@@H](CN1CCCC3(CCOCC3)C1)O2 ZINC000244774254 426726892 /nfs/dbraw/zinc/72/68/92/426726892.db2.gz PQPIKNAGRLMPNL-OAHLLOKOSA-N 0 3 303.402 2.719 50 0 DFAAHN COc1cc(CN(C)C[C@H]2CCC[C@H]2O)cc(Cl)c1OC ZINC000245339070 426733036 /nfs/dbraw/zinc/73/30/36/426733036.db2.gz QGXGUKNRGAGCGS-TZMCWYRMSA-N 0 3 313.825 2.950 50 0 DFAAHN O=C(CCN1CCN2CCCC[C@H]2C1)Nc1ccccc1Cl ZINC000246189656 426807434 /nfs/dbraw/zinc/80/74/34/426807434.db2.gz MAHLNEDNKKECFN-AWEZNQCLSA-N 0 3 321.852 2.839 50 0 DFAAHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccsc1 ZINC000328614528 426982016 /nfs/dbraw/zinc/98/20/16/426982016.db2.gz AHNHEYIBDMOFDI-HOCLYGCPSA-N 0 3 315.442 2.908 50 0 DFAAHN CN1CCC(Oc2ccc(CNCc3cccnc3)cc2)CC1 ZINC000284019970 427119089 /nfs/dbraw/zinc/11/90/89/427119089.db2.gz NOGZVLSWUWSUOD-UHFFFAOYSA-N 0 3 311.429 2.844 50 0 DFAAHN CC(C)[C@H](C)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000253394296 427201389 /nfs/dbraw/zinc/20/13/89/427201389.db2.gz CMDIJGFDDUNIFJ-GOEBONIOSA-N 0 3 303.450 2.840 50 0 DFAAHN O[C@@H]1CCOC2(CCN(Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC000253408902 427205314 /nfs/dbraw/zinc/20/53/14/427205314.db2.gz LEUYTTSHQUNVBD-MRXNPFEDSA-N 0 3 300.402 2.674 50 0 DFAAHN CNCC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000253432857 427211445 /nfs/dbraw/zinc/21/14/45/427211445.db2.gz OVKIMCAGGCBFPL-UHFFFAOYSA-N 0 3 313.188 2.645 50 0 DFAAHN OCC1(Cc2ccccc2)CCN(CCc2ccncc2)CC1 ZINC000277658967 427274614 /nfs/dbraw/zinc/27/46/14/427274614.db2.gz DQHNUBQMZKMUSI-UHFFFAOYSA-N 0 3 310.441 2.941 50 0 DFAAHN CNC(=O)N1CCC2(CN(C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257191906 427307336 /nfs/dbraw/zinc/30/73/36/427307336.db2.gz RQAOSULHUDUVAA-MRXNPFEDSA-N 0 3 301.434 2.873 50 0 DFAAHN CN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)C1 ZINC000264029115 427637527 /nfs/dbraw/zinc/63/75/27/427637527.db2.gz RLTMSUAUCPNYPH-LLVKDONJSA-N 0 3 319.792 2.771 50 0 DFAAHN Cc1ccc(CN2CCC(=O)N(Cc3ccncc3)CC2)cc1C ZINC000299793870 427770501 /nfs/dbraw/zinc/77/05/01/427770501.db2.gz IWOLOIGJSHRHRF-UHFFFAOYSA-N 0 3 323.440 2.933 50 0 DFAAHN CC(C)c1nnc([C@@H](C)NC(=O)C2(N3CCCC3)CCCC2)o1 ZINC000299792253 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/nfs/dbraw/zinc/60/19/82/426601982.db2.gz PNFYSTGVILPAOX-UHFFFAOYSA-N 0 3 323.506 2.821 50 0 biogenic,in-vitro DFAAHN O=C1OC[C@@H]2CCN(C3CCOCC3)Cc3ccc(F)cc3N12 ZINC000225484716 426602655 /nfs/dbraw/zinc/60/26/55/426602655.db2.gz XUFJKXIJHKJTMQ-HNNXBMFYSA-N 0 3 320.364 2.536 50 0 biogenic,in-vitro DFAAHN CCOC1(C(=O)NCc2ccc(CN(C)C)cc2)CCCC1 ZINC000225491937 426604376 /nfs/dbraw/zinc/60/43/76/426604376.db2.gz RMJGNTLJENSSHX-UHFFFAOYSA-N 0 3 304.434 2.714 50 0 DFAAHN CCC(CC)C(=O)N1CCC(N[C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000225732440 426610734 /nfs/dbraw/zinc/61/07/34/426610734.db2.gz SIVJVUHVHBHWAP-AWEZNQCLSA-N 0 3 320.481 2.806 50 0 DFAAHN Cc1nccc(-c2ccccc2)c1C(=O)N(C)[C@H]1CCN(C)C1 ZINC000216153445 426557076 /nfs/dbraw/zinc/55/70/76/426557076.db2.gz IDTCFMBCXWVOAI-INIZCTEOSA-N 0 3 309.413 2.833 50 0 DFAAHN Cc1cc(C(=O)NCCN(C)CCc2ccccc2)cc(C)n1 ZINC000216425578 426559950 /nfs/dbraw/zinc/55/99/50/426559950.db2.gz NZVUEGKBCFVHHF-UHFFFAOYSA-N 0 3 311.429 2.603 50 0 DFAAHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cc(Cl)nc(N)n2)C1 ZINC000229766801 426638778 /nfs/dbraw/zinc/63/87/78/426638778.db2.gz TUZQRVHTIXASSK-WCQYABFASA-N 0 3 317.824 2.960 50 0 DFAAHN CC1(C)[C@H](N[C@@H]2CCCN(c3ccccc3)C2=O)[C@@H]2CCO[C@H]21 ZINC000230154318 426643889 /nfs/dbraw/zinc/64/38/89/426643889.db2.gz UMFHKPSWSTVDKO-YLFCFFPRSA-N 0 3 314.429 2.585 50 0 DFAAHN Cc1ncc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000230078072 426644394 /nfs/dbraw/zinc/64/43/94/426644394.db2.gz ZCVFLOKNLDMSSK-UMVBOHGHSA-N 0 3 309.479 2.525 50 0 DFAAHN C[C@H]1CN(C)CC[C@H]1NC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000239366885 426713918 /nfs/dbraw/zinc/71/39/18/426713918.db2.gz AGNDTFYHYGCJKN-GXFFZTMASA-N 0 3 316.779 2.888 50 0 DFAAHN C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1CCN(C)[C@@H](C)C1 ZINC000240900791 426714626 /nfs/dbraw/zinc/71/46/26/426714626.db2.gz IUABLPMUICLBIS-AGIUHOORSA-N 0 3 308.447 2.556 50 0 DFAAHN O[C@@H](Cn1cccn1)CN1CCC[C@H]1c1cccc(Cl)c1 ZINC000241588556 426716338 /nfs/dbraw/zinc/71/63/38/426716338.db2.gz PEALOJFBGAMMRF-CVEARBPZSA-N 0 3 305.809 2.735 50 0 DFAAHN CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(CN)c2)cc1 ZINC000241707071 426717259 /nfs/dbraw/zinc/71/72/59/426717259.db2.gz QMKBCOXLXAGFQM-UHFFFAOYSA-N 0 3 311.385 2.992 50 0 DFAAHN CCc1nn(C)c(Cl)c1CN1CC(N2CCCC[C@@H]2C)C1 ZINC000244718935 426726277 /nfs/dbraw/zinc/72/62/77/426726277.db2.gz LTSCLJDMYPFNDY-LBPRGKRZSA-N 0 3 310.873 2.695 50 0 DFAAHN C[C@@H](CN1CCC(N2CCNC2=O)CC1)c1cccc(Cl)c1 ZINC000189505358 426872122 /nfs/dbraw/zinc/87/21/22/426872122.db2.gz RZRPLJTTWYBWJH-ZDUSSCGKSA-N 0 3 321.852 2.933 50 0 DFAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cncn1-c1ccccc1 ZINC000248082602 426978667 /nfs/dbraw/zinc/97/86/67/426978667.db2.gz AQGXOOIZKBERQY-IAGOWNOFSA-N 0 3 324.428 2.571 50 0 DFAAHN CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1csc(C2CC2)n1 ZINC000248103689 426981157 /nfs/dbraw/zinc/98/11/57/426981157.db2.gz FNLYQPCPVJEDND-UONOGXRCSA-N 0 3 305.447 2.719 50 0 DFAAHN Cc1ncccc1CN1CCC[C@@H](Nc2ccc(N)nc2)CC1 ZINC000328626259 426984922 /nfs/dbraw/zinc/98/49/22/426984922.db2.gz DYLVWHHEMRDIKJ-MRXNPFEDSA-N 0 3 311.433 2.834 50 0 DFAAHN CCCn1nc(CNCCCOCC)c(-c2ccccc2)n1 ZINC000248266957 426988396 /nfs/dbraw/zinc/98/83/96/426988396.db2.gz FNLNXTRCFAZKTQ-UHFFFAOYSA-N 0 3 302.422 2.871 50 0 DFAAHN Cn1cccc1CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248667576 427029397 /nfs/dbraw/zinc/02/93/97/427029397.db2.gz XCRIFBUSTZOOPS-IMJJTQAJSA-N 0 3 319.449 2.760 50 0 DFAAHN COc1cccc(OCCN2CCC(c3n[nH]cc3C)CC2)c1 ZINC000252480667 427174608 /nfs/dbraw/zinc/17/46/08/427174608.db2.gz CBZWRYXRFBQAQN-UHFFFAOYSA-N 0 3 315.417 2.985 50 0 DFAAHN Cc1nc([C@H]2CCCN(Cc3cc(-c4ccncc4)no3)C2)n[nH]1 ZINC000252481204 427175216 /nfs/dbraw/zinc/17/52/16/427175216.db2.gz CIKJMGGTDVKHOW-AWEZNQCLSA-N 0 3 324.388 2.543 50 0 DFAAHN Cc1n[nH]c([C@H]2CCCN(Cc3cc(-c4ccncc4)no3)C2)n1 ZINC000252481204 427175224 /nfs/dbraw/zinc/17/52/24/427175224.db2.gz CIKJMGGTDVKHOW-AWEZNQCLSA-N 0 3 324.388 2.543 50 0 DFAAHN Cc1nnc([C@H]2CCCN(Cc3cc(-c4ccncc4)no3)C2)[nH]1 ZINC000252481204 427175232 /nfs/dbraw/zinc/17/52/32/427175232.db2.gz CIKJMGGTDVKHOW-AWEZNQCLSA-N 0 3 324.388 2.543 50 0 DFAAHN CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000252476742 427175335 /nfs/dbraw/zinc/17/53/35/427175335.db2.gz APISCBGGXRRKCK-MJGOQNOKSA-N 0 3 313.445 2.645 50 0 DFAAHN CCc1nccn1CC1(CNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000252501712 427182509 /nfs/dbraw/zinc/18/25/09/427182509.db2.gz UIGUCIOXGQCLAI-UHFFFAOYSA-N 0 3 323.400 2.532 50 0 DFAAHN CN(C)CCOC(=O)[C@@H]1c2ccccc2C=Cc2ncccc21 ZINC000252500647 427183010 /nfs/dbraw/zinc/18/30/10/427183010.db2.gz SZSLDJXMKDHPCB-GOSISDBHSA-N 0 3 308.381 2.802 50 0 DFAAHN CN1CCC(Oc2ccc(CNC(=O)c3ccoc3)cc2)CC1 ZINC000252508319 427184514 /nfs/dbraw/zinc/18/45/14/427184514.db2.gz XJYXEEXAIGLHSM-UHFFFAOYSA-N 0 3 314.385 2.683 50 0 DFAAHN CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1nc(-c2nc[n-]n2)no1 ZINC000253370683 427200694 /nfs/dbraw/zinc/20/06/94/427200694.db2.gz UWNYRHKNDVSMPA-LPWJVIDDSA-N 0 3 318.425 2.966 50 0 DFAAHN CC(C)Oc1ccccc1CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000253410043 427204975 /nfs/dbraw/zinc/20/49/75/427204975.db2.gz MTPTZNNWDWKHDB-KRWDZBQOSA-N 0 3 319.445 2.980 50 0 DFAAHN CCCCO[C@@H]1C[C@H](NCC(=O)N2CCCCCC2)C1(C)C ZINC000253431927 427210526 /nfs/dbraw/zinc/21/05/26/427210526.db2.gz YNWQUIGVDQTAPG-JKSUJKDBSA-N 0 3 310.482 2.962 50 0 DFAAHN Cc1ccc(C2CC(NCC3(S(C)(=O)=O)CCC3)C2)cc1 ZINC000253430362 427212189 /nfs/dbraw/zinc/21/21/89/427212189.db2.gz YZEJOEMIZNNTTB-UHFFFAOYSA-N 0 3 307.459 2.798 50 0 DFAAHN Clc1cccc2c1CCN(CCNCc1cncs1)C2 ZINC000191107766 427256751 /nfs/dbraw/zinc/25/67/51/427256751.db2.gz YWMNUVWNMWFSHV-UHFFFAOYSA-N 0 3 307.850 2.944 50 0 DFAAHN CN(C(=O)Nc1ccon1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000183626151 427303762 /nfs/dbraw/zinc/30/37/62/427303762.db2.gz KZLAJBQPEIZXLG-OAHLLOKOSA-N 0 3 314.389 2.803 50 0 DFAAHN COc1ccc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)cc1 ZINC000257190059 427307628 /nfs/dbraw/zinc/30/76/28/427307628.db2.gz LASBZRGRUTXTNI-KRWDZBQOSA-N 0 3 305.418 2.591 50 0 DFAAHN CO[C@]12CCN(Cc3[nH]cnc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299786408 427769193 /nfs/dbraw/zinc/76/91/93/427769193.db2.gz LLYQBFFJHZTMFV-BPQIPLTHSA-N 0 3 319.449 2.657 50 0 DFAAHN CSc1nc2sc3c(c2c(N2CCNCC2)n1)CCCC3 ZINC000020319482 274190130 /nfs/dbraw/zinc/19/01/30/274190130.db2.gz NLSNWDNTVGFGDL-UHFFFAOYSA-N 0 3 320.487 2.702 50 0 DFAAHN CCn1ccnc1[C@H](NC1CCC(OC)CC1)C1CCOCC1 ZINC000344500710 428667644 /nfs/dbraw/zinc/66/76/44/428667644.db2.gz ABDVEIINEYOAIY-OFLPRAFFSA-N 0 3 321.465 2.918 50 0 DFAAHN O=C(c1cc(Br)ccc1Cl)N1CCCNCC1 ZINC000037287601 275011032 /nfs/dbraw/zinc/01/10/32/275011032.db2.gz KCLKWLNCZCMEAP-UHFFFAOYSA-N 0 3 317.614 2.538 50 0 DFAAHN CC(C)CC[C@H](C)N1CCC2(CC1)NC(CC1CC1)=NC2=O ZINC000063857516 275879320 /nfs/dbraw/zinc/87/93/20/275879320.db2.gz ANAAMSSGWJPZFC-AWEZNQCLSA-N 0 3 305.466 2.974 50 0 DFAAHN CCN(Cc1csnn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000097139504 276144533 /nfs/dbraw/zinc/14/45/33/276144533.db2.gz XIBZZQFTZWIGCK-INIZCTEOSA-N 0 3 302.447 2.635 50 0 DFAAHN CN1CC[C@@H](Nc2cc(=O)n3ccccc3n2)[C@H]1c1ccccc1 ZINC000242047946 277138697 /nfs/dbraw/zinc/13/86/97/277138697.db2.gz VRMIPJLFNDGVJA-DNVCBOLYSA-N 0 3 320.396 2.552 50 0 DFAAHN CC(C)CN(Cc1cnn(C)c1)C(=O)[C@@H](C)N1CCC(C)CC1 ZINC000055252488 277381585 /nfs/dbraw/zinc/38/15/85/277381585.db2.gz BUEKRXAYPXWIHM-MRXNPFEDSA-N 0 3 320.481 2.525 50 0 DFAAHN COc1ccc2sc(C(=O)N3CCCNCC3)c(C)c2c1 ZINC000178360342 278005447 /nfs/dbraw/zinc/00/54/47/278005447.db2.gz JBZHXERQYLWYIH-UHFFFAOYSA-N 0 3 304.415 2.654 50 0 DFAAHN C[C@@H](NCc1cccc2c1OCCCO2)[C@H](C)n1cccn1 ZINC000069372492 278358157 /nfs/dbraw/zinc/35/81/57/278358157.db2.gz IABUGOASFPTSAO-KGLIPLIRSA-N 0 3 301.390 2.784 50 0 DFAAHN Cc1ccc2cc(CN3CC(N4CCCCC4)C3)c(=O)[nH]c2c1 ZINC000215001003 281142220 /nfs/dbraw/zinc/14/22/20/281142220.db2.gz QLHXFSDMYIKXQU-UHFFFAOYSA-N 0 3 311.429 2.507 50 0 DFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)Cc2ccccn2)C1 ZINC000244893027 281392070 /nfs/dbraw/zinc/39/20/70/281392070.db2.gz YTYLGQXVIKXNAQ-KRWDZBQOSA-N 0 3 323.440 2.538 50 0 DFAAHN Cc1nnc(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)s1 ZINC000062428372 302817938 /nfs/dbraw/zinc/81/79/38/302817938.db2.gz LKIUCDZWCGDVGS-ZDUSSCGKSA-N 0 3 319.434 2.579 50 0 DFAAHN O=C(Nc1ccc(Cn2cccn2)cc1)[C@H](C1CC1)N1CCCC1 ZINC000097376443 323209605 /nfs/dbraw/zinc/20/96/05/323209605.db2.gz QZQDRFRWYHSKOA-SFHVURJKSA-N 0 3 324.428 2.744 50 0 DFAAHN COCCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2)cc1 ZINC000158416392 323215030 /nfs/dbraw/zinc/21/50/30/323215030.db2.gz SBRFMGQBAXHFOU-CZUORRHYSA-N 0 3 322.474 2.744 50 0 DFAAHN NC1(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3F)C2)CC1 ZINC000071404147 331922259 /nfs/dbraw/zinc/92/22/59/331922259.db2.gz NTEMZQVZJQLQHX-LBPRGKRZSA-N 0 3 308.372 2.627 50 0 DFAAHN Cc1cccnc1[C@@H](C)NC(=O)C1(N2CCCC2)CCCC1 ZINC000534633530 334308330 /nfs/dbraw/zinc/30/83/30/334308330.db2.gz NXWYANPEYPDLJT-OAHLLOKOSA-N 0 3 301.434 2.976 50 0 DFAAHN C[C@H](CNCc1ccnn1C)Oc1cccc(Br)c1 ZINC000266986048 524490756 /nfs/dbraw/zinc/49/07/56/524490756.db2.gz VQCRLOXAWOYPFW-LLVKDONJSA-N 0 3 324.222 2.740 50 0 DFAAHN CCN(CC(C)(C)O)[C@H](C)C(=O)Nc1ccccc1SC ZINC000305731702 527954751 /nfs/dbraw/zinc/95/47/51/527954751.db2.gz KPSPAWUJTXXFAS-GFCCVEGCSA-N 0 3 310.463 2.828 50 0 DFAAHN CN(C)Cc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000094993290 536034532 /nfs/dbraw/zinc/03/45/32/536034532.db2.gz YAHXHXTYDKBKDQ-UHFFFAOYSA-N 0 3 319.449 2.805 50 0 DFAAHN [O-]c1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1Br ZINC000725269974 546414646 /nfs/dbraw/zinc/41/46/46/546414646.db2.gz VKRRCQSDMWTSPW-YPMHNXCESA-N 0 3 312.207 2.669 50 0 DFAAHN Cc1nn(C)c2nc(N(CCN(C)C)C3CCCC3)sc12 ZINC000095526187 185378021 /nfs/dbraw/zinc/37/80/21/185378021.db2.gz VGHMIFIUHIYVPI-UHFFFAOYSA-N 0 3 307.467 2.649 50 0 DFAAHN C[C@H]1CN(C2CCOCC2)CCN1CCSc1ccccc1 ZINC000278692619 214331516 /nfs/dbraw/zinc/33/15/16/214331516.db2.gz PQXBIYSEWFRFNW-INIZCTEOSA-N 0 3 320.502 2.964 50 0 DFAAHN CC[C@H]1CN(c2ccc(Cn3ccnc3)cn2)CCN1C(C)C ZINC000082167306 185174512 /nfs/dbraw/zinc/17/45/12/185174512.db2.gz LVWZAHBKKQISSR-KRWDZBQOSA-N 0 3 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Cc1nc(-c2ccc(-c3cc[nH]n3)cc2)n(C2CCN(C)CC2)n1 ZINC000096139465 426400232 /nfs/dbraw/zinc/40/02/32/426400232.db2.gz ROFCRYYWKSOKHZ-UHFFFAOYSA-N 0 3 322.416 2.910 50 0 DFAAHN COc1cc(CN(C)C[C@@H]2CCC[C@@H]2O)cc(Cl)c1OC ZINC000091899224 426344576 /nfs/dbraw/zinc/34/45/76/426344576.db2.gz QGXGUKNRGAGCGS-JSGCOSHPSA-N 0 3 313.825 2.950 50 0 DFAAHN Cc1ccc(O)c(CN(C[C@H](O)c2ccc(F)cc2)C2CC2)n1 ZINC000093476990 426356805 /nfs/dbraw/zinc/35/68/05/426356805.db2.gz IWKCUIIGZJLCCG-SFHVURJKSA-N 0 3 316.376 2.933 50 0 DFAAHN Cn1cc(CCCCNCc2cccc3c2OCCCO3)cn1 ZINC000095349191 426366207 /nfs/dbraw/zinc/36/62/07/426366207.db2.gz IMMAYWZEXPCIJX-UHFFFAOYSA-N 0 3 315.417 2.694 50 0 DFAAHN Fc1ccc([C@@H]2CN(c3cnccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095378363 426368932 /nfs/dbraw/zinc/36/89/32/426368932.db2.gz KHKIVVQNSFLJJC-QXAKKESOSA-N 0 3 324.403 2.682 50 0 DFAAHN C[C@H](C1CCN(c2ncccc2Cl)CC1)N1CCOCC1 ZINC000095380344 426370946 /nfs/dbraw/zinc/37/09/46/426370946.db2.gz RMFBFLJRBYXOCD-CYBMUJFWSA-N 0 3 309.841 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2.707 50 0 DFAAHN CCN(C(=O)c1ccn[nH]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106575547 194232222 /nfs/dbraw/zinc/23/22/22/194232222.db2.gz WTMZFMAWSYKQON-GDBMZVCRSA-N 0 3 312.417 2.707 50 0 DFAAHN CS[C@@H]1CC[C@@H](N(C)CC(=O)NCc2sccc2C)C1 ZINC000110646142 194345536 /nfs/dbraw/zinc/34/55/36/194345536.db2.gz VZUKCOMKRUIQCN-CHWSQXEVSA-N 0 3 312.504 2.889 50 0 DFAAHN O[C@@H](CNCc1cccc2c1OCCO2)c1ccc(F)c(F)c1 ZINC000058030534 184069822 /nfs/dbraw/zinc/06/98/22/184069822.db2.gz CBKNQYMYMLWYHT-HNNXBMFYSA-N 0 3 321.323 2.559 50 0 DFAAHN COc1ccc(CNCc2ccccc2-n2cccn2)cc1O ZINC000058213822 184089116 /nfs/dbraw/zinc/08/91/16/184089116.db2.gz APXINJNKNGHWDR-UHFFFAOYSA-N 0 3 309.369 2.876 50 0 DFAAHN Cc1csc(-c2ccc(C(=O)NC[C@H]3CCCN3C)cc2)n1 ZINC000058246098 184094179 /nfs/dbraw/zinc/09/41/79/184094179.db2.gz BTXFOSYMWLYGLT-OAHLLOKOSA-N 0 3 315.442 2.943 50 0 DFAAHN COCc1cccc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000058420312 184115975 /nfs/dbraw/zinc/11/59/75/184115975.db2.gz LVSWOXYLRPFUPJ-QGZVFWFLSA-N 0 3 302.418 2.533 50 0 DFAAHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC000065140339 184311809 /nfs/dbraw/zinc/31/18/09/184311809.db2.gz AYQLLXXTVXLONO-HYVNUMGLSA-N 0 3 302.418 2.507 50 0 DFAAHN c1cc(CN2CCC[C@@H](Cn3ccnc3)C2)n(-c2cccnc2)c1 ZINC000065394987 184334515 /nfs/dbraw/zinc/33/45/15/184334515.db2.gz RFYXJDISEMMLKA-QGZVFWFLSA-N 0 3 321.428 2.981 50 0 DFAAHN CN1CCN(CC[C@H]2CCCCN2C(=O)CC2CCCC2)CC1 ZINC000065288780 184323181 /nfs/dbraw/zinc/32/31/81/184323181.db2.gz PSBJNFVWWNIDTE-GOSISDBHSA-N 0 3 321.509 2.585 50 0 DFAAHN CCn1c2ncccc2nc1[C@H]1CCN(Cc2ccccn2)C1 ZINC000065314263 184324654 /nfs/dbraw/zinc/32/46/54/184324654.db2.gz YZNQUAKWQBBKLR-AWEZNQCLSA-N 0 3 307.401 2.836 50 0 DFAAHN CN(Cc1ccc(CO)o1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000065374409 184331176 /nfs/dbraw/zinc/33/11/76/184331176.db2.gz ROUWEIDKECFPGT-HNNXBMFYSA-N 0 3 300.402 2.730 50 0 DFAAHN CCN(C)CCNC(=O)c1sc(Cc2ccccc2)nc1C ZINC000065404039 184337150 /nfs/dbraw/zinc/33/71/50/184337150.db2.gz VDTJMGCXPOQTLJ-UHFFFAOYSA-N 0 3 317.458 2.724 50 0 DFAAHN O=C(CCNC[C@H](O)c1ccccc1Cl)NC1CCCCC1 ZINC000065405047 184338192 /nfs/dbraw/zinc/33/81/92/184338192.db2.gz ZPNCNDLOLZADKU-INIZCTEOSA-N 0 3 324.852 2.802 50 0 DFAAHN C(=C/c1ccco1)\CN1CCCC[C@H]1CCN1CCOCC1 ZINC000065527127 184360081 /nfs/dbraw/zinc/36/00/81/184360081.db2.gz SKBUOLXQRGUWFT-ZVVFDCPKSA-N 0 3 304.434 2.870 50 0 DFAAHN c1ccc(-c2nc3c(c(NCc4ccccn4)n2)CCNC3)cc1 ZINC000067458993 184467825 /nfs/dbraw/zinc/46/78/25/184467825.db2.gz KMHWMQWARBBRKB-UHFFFAOYSA-N 0 3 317.396 2.796 50 0 DFAAHN CC(=O)c1ccc(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000119869948 195052771 /nfs/dbraw/zinc/05/27/71/195052771.db2.gz XAIYSONACZZWGE-HNNXBMFYSA-N 0 3 318.417 2.763 50 0 DFAAHN Cc1ccccc1[C@H](CC(C)C)NC(=O)C[C@@H]1CNCCO1 ZINC000157612529 197201448 /nfs/dbraw/zinc/20/14/48/197201448.db2.gz YUIHUEQYQIUGRQ-WBVHZDCISA-N 0 3 304.434 2.577 50 0 DFAAHN COc1ccc(N[C@@H]2CCCN(CC(C)(C)CO)C2)cc1OC ZINC000012305420 542421247 /nfs/dbraw/zinc/42/12/47/542421247.db2.gz FAVMHKLQCMFVNR-OAHLLOKOSA-N 0 3 322.449 2.599 50 0 DFAAHN Cc1cccc(C(=O)NC[C@H]2CCN(CCC(F)(F)F)C2)c1 ZINC000067726790 542459612 /nfs/dbraw/zinc/45/96/12/542459612.db2.gz DXHHOCZIQOPPND-CYBMUJFWSA-N 0 3 314.351 2.999 50 0 DFAAHN C[C@@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)C[C@@H](C)N1 ZINC000153262539 256587635 /nfs/dbraw/zinc/58/76/35/256587635.db2.gz UPWWZCMEZXBGCA-ZIAGYGMSSA-N 0 3 311.385 2.696 50 0 DFAAHN CSCC[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000237307823 256600265 /nfs/dbraw/zinc/60/02/65/256600265.db2.gz GEKRJNOPTLMHTE-WHOFXGATSA-N 0 3 310.438 2.611 50 0 DFAAHN [NH3+][C@@H]1CC[C@H](NC(=O)c2cccc(-c3ccc([O-])cc3F)c2)C1 ZINC000426574750 257245980 /nfs/dbraw/zinc/24/59/80/257245980.db2.gz AXHRPACYNADOJC-KGLIPLIRSA-N 0 3 314.360 2.808 50 0 DFAAHN [NH3+][C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(F)cc3[O-])cc2)C1 ZINC000426526968 257247921 /nfs/dbraw/zinc/24/79/21/257247921.db2.gz QYAHTHGXGYAWRM-CABCVRRESA-N 0 3 314.360 2.808 50 0 DFAAHN CO[C@H]1CC[C@@]2(OC)CCN(Cc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000426399366 257251469 /nfs/dbraw/zinc/25/14/69/257251469.db2.gz HLTSKSLTMIPTEH-JCGIZDLHSA-N 0 3 319.401 2.574 50 0 DFAAHN Cc1cc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)ccn1 ZINC000426387736 257252160 /nfs/dbraw/zinc/25/21/60/257252160.db2.gz QDEDQIJWXNRSFL-IEBWSBKVSA-N 0 3 310.397 2.947 50 0 DFAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cncc(N)c2)cc1 ZINC000426388004 257252215 /nfs/dbraw/zinc/25/22/15/257252215.db2.gz SGNWUZAADZDOOS-GOSISDBHSA-N 0 3 324.428 2.545 50 0 DFAAHN COc1ccccc1[C@@H](C)CC(=O)N(C)C[C@H]1CCCN1C ZINC000408521794 257254856 /nfs/dbraw/zinc/25/48/56/257254856.db2.gz INFZBRRHGISNOA-LSDHHAIUSA-N 0 3 304.434 2.741 50 0 DFAAHN CN(CCN(C)C1CC1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000408521443 257255442 /nfs/dbraw/zinc/25/54/42/257255442.db2.gz UNNYTSJDXCFBMP-GOSISDBHSA-N 0 3 316.445 2.829 50 0 DFAAHN Cc1cnn([C@H](C)[C@@H](C)NCC(=O)N[C@H](C)c2cccs2)c1 ZINC000252474709 257258935 /nfs/dbraw/zinc/25/89/35/257258935.db2.gz KPYJCNPZPOXFFS-MGPQQGTHSA-N 0 3 320.462 2.670 50 0 DFAAHN C[C@H](CNC(=S)NCCc1ccccc1)N1CCCC[C@H]1C ZINC000245224717 257259278 /nfs/dbraw/zinc/25/92/78/257259278.db2.gz CHKMZPFQMBKFDN-HZPDHXFCSA-N 0 3 319.518 2.956 50 0 DFAAHN O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C[C@@H]2CCCO2)C1 ZINC000095973878 285334680 /nfs/dbraw/zinc/33/46/80/285334680.db2.gz BOAIBHABMLPJFK-QLFBSQMISA-N 0 3 315.335 2.992 50 0 DFAAHN O=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000299759802 543044339 /nfs/dbraw/zinc/04/43/39/543044339.db2.gz PNESZLDDOOBXHS-GOSISDBHSA-N 0 3 316.445 2.551 50 0 DFAAHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000575605173 543452521 /nfs/dbraw/zinc/45/25/21/543452521.db2.gz AJWYAAYKWVWPBJ-AWEZNQCLSA-N 0 3 322.836 2.571 50 0 DFAAHN Cc1ccc([C@@H](C(=O)NCCN2CCCCCC2)N(C)C)cc1 ZINC000095353584 292190062 /nfs/dbraw/zinc/19/00/62/292190062.db2.gz BIPOUEISGFLYBH-SFHVURJKSA-N 0 3 317.477 2.590 50 0 DFAAHN COc1ccc(OC)c([C@@H]2NCC[C@]23c2ccccc2NC3=O)c1 ZINC000062001655 286343771 /nfs/dbraw/zinc/34/37/71/286343771.db2.gz WYZHVMFGJGFGFV-HKUYNNGSSA-N 0 3 324.380 2.628 50 0 DFAAHN COc1ccccc1N1CCC(N[C@H](C)c2nccn2C)CC1 ZINC000182691671 158005974 /nfs/dbraw/zinc/00/59/74/158005974.db2.gz OXGWQDISHFWHPI-CQSZACIVSA-N 0 3 314.433 2.748 50 0 DFAAHN CNCC(=O)Nc1cccc(C(=O)Nc2c(C)cccc2C)c1 ZINC000055244878 425892723 /nfs/dbraw/zinc/89/27/23/425892723.db2.gz OCBCWVHCEVYVEA-UHFFFAOYSA-N 0 3 311.385 2.714 50 0 DFAAHN Cc1nc(-c2ccc(CN3CCCC3)o2)n(-c2ccncc2)n1 ZINC000670450898 544042586 /nfs/dbraw/zinc/04/25/86/544042586.db2.gz CEKKOTAWZSIVGH-UHFFFAOYSA-N 0 3 309.373 2.827 50 0 DFAAHN Cc1nccn1CCCN1CCC(c2nc(C(C)C)no2)CC1 ZINC000670452974 544042908 /nfs/dbraw/zinc/04/29/08/544042908.db2.gz COKPXZPSLMWOJH-UHFFFAOYSA-N 0 3 317.437 2.968 50 0 DFAAHN CCc1nc(CN(C)[C@H](C)CN2CCc3ccccc3C2)no1 ZINC000670463598 544044142 /nfs/dbraw/zinc/04/41/42/544044142.db2.gz GPYDULIBUQXIEG-CQSZACIVSA-N 0 3 314.433 2.511 50 0 DFAAHN CN(Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@@H]1CCCO1 ZINC000670463512 544044196 /nfs/dbraw/zinc/04/41/96/544044196.db2.gz SJGNHBARVQTOIE-INIZCTEOSA-N 0 3 312.413 2.559 50 0 DFAAHN CCOc1ccc(CN2CC[C@H](CC(=O)NC)C2)cc1Cl ZINC000670461250 544044487 /nfs/dbraw/zinc/04/44/87/544044487.db2.gz OQBAMLQFTNUROL-CYBMUJFWSA-N 0 3 310.825 2.697 50 0 DFAAHN Cc1cc(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)nn1C(C)(C)C ZINC000055378152 425893315 /nfs/dbraw/zinc/89/33/15/425893315.db2.gz UMSKQYRTBHDNMK-OKILXGFUSA-N 0 3 320.481 2.654 50 0 DFAAHN Cc1cc(C(=O)NCCN2CCCC[C@@H]2C)nn1C(C)(C)C ZINC000055376839 425893362 /nfs/dbraw/zinc/89/33/62/425893362.db2.gz ITIDPAZYAMIZGS-ZDUSSCGKSA-N 0 3 306.454 2.551 50 0 DFAAHN c1ccc2c(c1)CCN(c1ncnc3sc4c(c31)CCNC4)C2 ZINC000065458591 425903097 /nfs/dbraw/zinc/90/30/97/425903097.db2.gz NDTXJVHQDBGPPN-UHFFFAOYSA-N 0 3 322.437 2.900 50 0 DFAAHN COc1ccc(CC(=O)N[C@@H](C2=CCCN(C)C2)C(C)C)cc1 ZINC000067541054 425911395 /nfs/dbraw/zinc/91/13/95/425911395.db2.gz NUQXHSJDSDPKRU-LJQANCHMSA-N 0 3 316.445 2.640 50 0 DFAAHN c1cc([C@@H]2CCCN(Cc3cnc(-c4ccccn4)nc3)C2)n[nH]1 ZINC000067559528 425911492 /nfs/dbraw/zinc/91/14/92/425911492.db2.gz VHHYEJBCXQQJSN-OAHLLOKOSA-N 0 3 320.400 2.641 50 0 DFAAHN Cc1noc(C)c1C(=O)N[C@H](C)CC1=CCCN(CCCF)C1 ZINC000067757690 425913001 /nfs/dbraw/zinc/91/30/01/425913001.db2.gz JVCGZSXEAAPPIV-GFCCVEGCSA-N 0 3 323.412 2.792 50 0 DFAAHN CC(C)CNC1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898170 425914545 /nfs/dbraw/zinc/91/45/45/425914545.db2.gz VWWNNCHFDXKHCZ-UHFFFAOYSA-N 0 3 316.401 2.811 50 0 biogenic,in-vitro DFAAHN CC(C)(C)CNC1(Cc2cc(-c3cccc(O)c3)on2)COC1 ZINC000067898331 425914554 /nfs/dbraw/zinc/91/45/54/425914554.db2.gz XXRRAJURVISVHM-UHFFFAOYSA-N 0 3 316.401 2.994 50 0 biogenic,in-vitro DFAAHN C[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000068630419 425919192 /nfs/dbraw/zinc/91/91/92/425919192.db2.gz KCKXSHFYVGNUSE-GOEBONIOSA-N 0 3 304.438 2.736 50 0 DFAAHN O=C(c1c[nH]cn1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000069350093 425935005 /nfs/dbraw/zinc/93/50/05/425935005.db2.gz WKXHXBAFVZGUGP-ROUUACIJSA-N 0 3 324.428 2.679 50 0 DFAAHN C[C@@H](Cn1cccn1)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000069373837 425937121 /nfs/dbraw/zinc/93/71/21/425937121.db2.gz MGIMRORVQGKWBX-SMDDNHRTSA-N 0 3 313.323 2.614 50 0 DFAAHN COc1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000000212130 425545710 /nfs/dbraw/zinc/54/57/10/425545710.db2.gz IELRCRVJYMJVIW-MRXNPFEDSA-N 0 3 302.418 2.530 50 0 DFAAHN COc1ccc([C@@H]2SCC(=O)N2CCN2CCCCC2)cc1 ZINC000000054431 425532045 /nfs/dbraw/zinc/53/20/45/425532045.db2.gz FGPNHECIWNOVPM-KRWDZBQOSA-N 0 3 320.458 2.755 50 0 DFAAHN COc1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1 ZINC000000299651 425551645 /nfs/dbraw/zinc/55/16/45/425551645.db2.gz GUITTXJDILKBBN-UHFFFAOYSA-N 0 3 304.434 2.822 50 0 DFAAHN COc1cc(CN(C)CCc2ccccn2)cc(OC)c1OC ZINC000000489253 425564905 /nfs/dbraw/zinc/56/49/05/425564905.db2.gz NWXASCBITHSPTM-UHFFFAOYSA-N 0 3 316.401 2.782 50 0 DFAAHN COc1cccc(OC)c1OCCCCN1CCSCC1 ZINC000002275027 425590125 /nfs/dbraw/zinc/59/01/25/425590125.db2.gz LNZIYQCOQPAWPU-UHFFFAOYSA-N 0 3 311.447 2.912 50 0 DFAAHN COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1C ZINC000002472557 425594957 /nfs/dbraw/zinc/59/49/57/425594957.db2.gz VLUXWGUBKSTGFP-ZVZYQTTQSA-N 0 3 305.418 2.968 50 0 DFAAHN COc1cccc(CNCCc2ccc3c(c2)OCO3)c1OC ZINC000002470881 425595448 /nfs/dbraw/zinc/59/54/48/425595448.db2.gz JLTFAWOGGLXAFU-UHFFFAOYSA-N 0 3 315.369 2.765 50 0 DFAAHN COc1cc(CN[C@@H]2CCCC[C@H]2OC)cc(OC)c1OC ZINC000000267278 425550145 /nfs/dbraw/zinc/55/01/45/425550145.db2.gz CNRAIZKPBXFGHK-ZIAGYGMSSA-N 0 3 309.406 2.760 50 0 biogenic,in-vitro DFAAHN CCN1CCC[C@H]1CNC(=O)c1oc2ccc(OC)cc2c1C ZINC000007724430 425650217 /nfs/dbraw/zinc/65/02/17/425650217.db2.gz SALIVBMGMZXIPD-ZDUSSCGKSA-N 0 3 316.401 2.964 50 0 DFAAHN CCOc1cc(CNCCOC)cc(Br)c1OC ZINC000008253603 425664471 /nfs/dbraw/zinc/66/44/71/425664471.db2.gz ZNGREUCTBKNAQM-UHFFFAOYSA-N 0 3 318.211 2.592 50 0 DFAAHN COC(=O)c1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1 ZINC000008581159 425671302 /nfs/dbraw/zinc/67/13/02/425671302.db2.gz MSHMGIVYOUMUBT-UHFFFAOYSA-N 0 3 300.358 2.631 50 0 DFAAHN CCCOC(=O)c1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1 ZINC000008717188 425673948 /nfs/dbraw/zinc/67/39/48/425673948.db2.gz XMORALXIQIMSTB-UHFFFAOYSA-N 0 3 302.374 2.877 50 0 DFAAHN O=C(CSC1=NCCN1)Nc1cc(Cl)ccc1Cl ZINC000003266859 425612911 /nfs/dbraw/zinc/61/29/11/425612911.db2.gz XLVFNSOERCNZJP-UHFFFAOYSA-N 0 3 304.202 2.624 50 0 DFAAHN COCCNC[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000007006729 425633636 /nfs/dbraw/zinc/63/36/36/425633636.db2.gz QHFIGKJJVUCOHL-CYBMUJFWSA-N 0 3 315.841 2.748 50 0 DFAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1nnc(C2CC2)s1 ZINC000009315696 425686161 /nfs/dbraw/zinc/68/61/61/425686161.db2.gz UMVKHGSEIPUGEN-PELKAZGASA-N 0 3 317.370 2.583 50 0 DFAAHN O=C(NCc1ccco1)[C@@H]1CCCN1CCCc1ccccc1 ZINC000012950473 425743991 /nfs/dbraw/zinc/74/39/91/425743991.db2.gz WVACEDQLBVPKKW-SFHVURJKSA-N 0 3 312.413 2.993 50 0 DFAAHN N=C1Nc2nc3ccccc3n2[C@@H](c2cccc3cccnc32)N1 ZINC000011376498 425708781 /nfs/dbraw/zinc/70/87/81/425708781.db2.gz HGOBCGIJOJGVHG-INIZCTEOSA-N 0 3 314.352 2.681 50 0 DFAAHN CCN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC000013744983 425760234 /nfs/dbraw/zinc/76/02/34/425760234.db2.gz ZSOMNCNRYZNOAE-HNNXBMFYSA-N 0 3 304.434 2.671 50 0 DFAAHN O=C(NCCCN1CCc2ccccc2C1)c1cccs1 ZINC000029838822 425829504 /nfs/dbraw/zinc/82/95/04/425829504.db2.gz ZIKVPUXYVYWEQX-UHFFFAOYSA-N 0 3 300.427 2.926 50 0 DFAAHN Cc1ccc(OC[C@H](O)CN[C@H](C)CC(F)(F)F)c(C)c1 ZINC000032518047 425838867 /nfs/dbraw/zinc/83/88/67/425838867.db2.gz XKTIWABYXSGJJR-CHWSQXEVSA-N 0 3 305.340 2.974 50 0 DFAAHN Cc1cccc(CNC(=O)C2CCN(c3ccncc3)CC2)c1 ZINC000033128954 425841308 /nfs/dbraw/zinc/84/13/08/425841308.db2.gz HAYINEURWHNYSN-UHFFFAOYSA-N 0 3 309.413 2.923 50 0 DFAAHN COc1cccc(CN(C[C@H](O)COCC(C)C)C(C)C)c1 ZINC000036098331 425845240 /nfs/dbraw/zinc/84/52/40/425845240.db2.gz SZGJJOFUVGMTAM-KRWDZBQOSA-N 0 3 309.450 2.939 50 0 DFAAHN COCc1cccc(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)c1 ZINC000036391919 425845734 /nfs/dbraw/zinc/84/57/34/425845734.db2.gz RKCXRNLDWDFQAX-GASCZTMLSA-N 0 3 304.434 2.541 50 0 DFAAHN O=C(NC1CCN(C2CC2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000044367136 425856330 /nfs/dbraw/zinc/85/63/30/425856330.db2.gz GMLRWZGVSSULOL-UHFFFAOYSA-N 0 3 302.393 2.600 50 0 DFAAHN CN(C)Cc1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1 ZINC000047460268 425869749 /nfs/dbraw/zinc/86/97/49/425869749.db2.gz MXVUNCBVPQUPFL-UHFFFAOYSA-N 0 3 321.380 2.842 50 0 DFAAHN CC(C)N(CCNS(=O)(=O)c1ccc2c(c1)CCC2)C(C)C ZINC000048343939 425874532 /nfs/dbraw/zinc/87/45/32/425874532.db2.gz YFFWUVWGRIDWQJ-UHFFFAOYSA-N 0 3 324.490 2.572 50 0 DFAAHN Cc1ncc2c(n1)CCN(CCCc1nc3ccccc3o1)C2 ZINC000048366673 425875032 /nfs/dbraw/zinc/87/50/32/425875032.db2.gz YIWUOOAKZYMYJI-UHFFFAOYSA-N 0 3 308.385 2.917 50 0 DFAAHN COc1ccc([C@@H](O)CN2CCN(C3CCCCC3)CC2)cc1 ZINC000049420865 425879385 /nfs/dbraw/zinc/87/93/85/425879385.db2.gz FBTZWBWOZCPKRL-IBGZPJMESA-N 0 3 318.461 2.679 50 0 DFAAHN CC[C@H]1CN(CCCOc2cccc(C)c2)CCN1C[C@H](C)O ZINC000106929733 425981611 /nfs/dbraw/zinc/98/16/11/425981611.db2.gz JJJBZZHCQCYHHG-ROUUACIJSA-N 0 3 320.477 2.541 50 0 DFAAHN Cc1cc(CNc2ccccc2CN2CCC(CO)CC2)no1 ZINC000071185403 425983476 /nfs/dbraw/zinc/98/34/76/425983476.db2.gz XYDZWXQZTDLWKI-UHFFFAOYSA-N 0 3 315.417 2.799 50 0 DFAAHN NCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071415589 425985961 /nfs/dbraw/zinc/98/59/61/425985961.db2.gz JOLCOABOIMZASS-LBPRGKRZSA-N 0 3 314.351 2.835 50 0 DFAAHN CC(C)[C@H]1CN(C(=O)c2ccccc2[O-])CCC[N@@H+]1CC1CC1 ZINC000071761565 425988924 /nfs/dbraw/zinc/98/89/24/425988924.db2.gz BEDPPWGNUXNCRI-QGZVFWFLSA-N 0 3 316.445 2.975 50 0 DFAAHN CC(C)[C@H]1CN(C(=O)c2ccccc2[O-])CCC[N@H+]1CC1CC1 ZINC000071761565 425988926 /nfs/dbraw/zinc/98/89/26/425988926.db2.gz BEDPPWGNUXNCRI-QGZVFWFLSA-N 0 3 316.445 2.975 50 0 DFAAHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccco1 ZINC000107494205 425994161 /nfs/dbraw/zinc/99/41/61/425994161.db2.gz SVLRHUKKPXQCIH-QZTJIDSGSA-N 0 3 324.424 2.948 50 0 DFAAHN Cc1cnn(CC2CCN(C[C@@H](O)c3ccccc3F)CC2)c1 ZINC000071876487 425997008 /nfs/dbraw/zinc/99/70/08/425997008.db2.gz JHXLAICZYUBCKG-GOSISDBHSA-N 0 3 317.408 2.776 50 0 DFAAHN Cc1cnn(CC2CCN(C[C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000071876481 425997877 /nfs/dbraw/zinc/99/78/77/425997877.db2.gz HNHTZDDHVFLIDS-SFHVURJKSA-N 0 3 317.408 2.776 50 0 DFAAHN Cc1cnn(CCNCc2ccc(OCc3cccnc3)cc2)c1 ZINC000071872135 425998164 /nfs/dbraw/zinc/99/81/64/425998164.db2.gz APLVLXCYVGWVCM-UHFFFAOYSA-N 0 3 322.412 2.955 50 0 DFAAHN Cc1cc(OC(F)F)c(C(=O)N(C)CCN2CCCC2)s1 ZINC000071907599 426002398 /nfs/dbraw/zinc/00/23/98/426002398.db2.gz GCOFSTXXFUKQQD-UHFFFAOYSA-N 0 3 318.389 2.826 50 0 DFAAHN C[C@@H]1CN(CC2CCN(C(=O)CC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000069452703 425940253 /nfs/dbraw/zinc/94/02/53/425940253.db2.gz QVFMSTJCILGXCS-HUUCEWRRSA-N 0 3 310.482 2.770 50 0 DFAAHN C[C@@H]1CN(CC2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000069452018 425940794 /nfs/dbraw/zinc/94/07/94/425940794.db2.gz PZXATEVZOCNINH-HZPDHXFCSA-N 0 3 316.445 2.648 50 0 DFAAHN Fc1cc2cccnc2c(CN2CCC[C@H]2Cn2cncn2)c1 ZINC000069617506 425949589 /nfs/dbraw/zinc/94/95/89/425949589.db2.gz AXACVCZSLMOOHM-INIZCTEOSA-N 0 3 311.364 2.630 50 0 DFAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000069665168 425953095 /nfs/dbraw/zinc/95/30/95/425953095.db2.gz LKCRJJVGYFDJEI-ROUUACIJSA-N 0 3 309.413 2.934 50 0 DFAAHN CC/C=C(\C)C(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000103932285 425955897 /nfs/dbraw/zinc/95/58/97/425955897.db2.gz INYYBXAMMKTYHP-FZSIALSZSA-N 0 3 315.461 2.903 50 0 DFAAHN Cc1nc(-c2ccco2)ccc1C(=O)N(C)C1CCN(C)CC1 ZINC000069809450 425959441 /nfs/dbraw/zinc/95/94/41/425959441.db2.gz QBKQIUVRVMIMMJ-UHFFFAOYSA-N 0 3 313.401 2.816 50 0 DFAAHN C[C@H](N)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000162046317 426050798 /nfs/dbraw/zinc/05/07/98/426050798.db2.gz WPEOYQUVJYOMDY-JTQLQIEISA-N 0 3 306.312 2.721 50 0 DFAAHN Cc1ccc([C@H](CNCc2cccn2C)N2CCOCC2)s1 ZINC000072291869 426012901 /nfs/dbraw/zinc/01/29/01/426012901.db2.gz UEWDWHPVFKAHTL-INIZCTEOSA-N 0 3 319.474 2.558 50 0 DFAAHN C[C@@H](c1cc(F)ccc1F)N(C)CCCN1CCN(C)CC1 ZINC000072308462 426013862 /nfs/dbraw/zinc/01/38/62/426013862.db2.gz HUWWNLRELSNFMS-AWEZNQCLSA-N 0 3 311.420 2.595 50 0 DFAAHN CC[C@H]1CCCC[C@H]1NCc1nn2c(nc(C)cc2=O)s1 ZINC000163324366 426096517 /nfs/dbraw/zinc/09/65/17/426096517.db2.gz GOWWOWQLEGUWDW-NWDGAFQWSA-N 0 3 306.435 2.518 50 0 DFAAHN COc1ccc(CNCCc2nc3ccccc3[nH]2)cc1OC ZINC000113399298 426114943 /nfs/dbraw/zinc/11/49/43/426114943.db2.gz UGTLVAVRSASCNI-UHFFFAOYSA-N 0 3 311.385 2.912 50 0 DFAAHN CC[C@@H](N[C@H]1CCc2nc(COC)nn2C1)c1ccccc1F ZINC000170593041 426139387 /nfs/dbraw/zinc/13/93/87/426139387.db2.gz COZATSBHYUTXSO-SWLSCSKDSA-N 0 3 318.396 2.619 50 0 DFAAHN CC(C)N1CCN(CCCSc2ncc3ccccn32)CC1 ZINC000170605544 426140349 /nfs/dbraw/zinc/14/03/49/426140349.db2.gz IDJXBUPCGRIMLD-UHFFFAOYSA-N 0 3 318.490 2.843 50 0 DFAAHN Cc1cccc(C)c1OC1CN(C(=O)[C@@H]2CCCCCN2C)C1 ZINC000082092903 426227327 /nfs/dbraw/zinc/22/73/27/426227327.db2.gz DPUASBAIQBFWPZ-KRWDZBQOSA-N 0 3 316.445 2.767 50 0 DFAAHN CC(C)(N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000119004661 426254785 /nfs/dbraw/zinc/25/47/85/426254785.db2.gz WTIGSDAQBNOSHS-UHFFFAOYSA-N 0 3 314.351 2.981 50 0 DFAAHN CC(C)(C)OC(=O)NCCNCc1cc(F)cc2cccnc21 ZINC000089662656 426301246 /nfs/dbraw/zinc/30/12/46/426301246.db2.gz VHFXQGXTZVDZET-UHFFFAOYSA-N 0 3 319.380 2.988 50 0 DFAAHN O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000089783202 426308139 /nfs/dbraw/zinc/30/81/39/426308139.db2.gz IZJSOJSVEJALPG-YESZJQIVSA-N 0 3 302.393 2.626 50 0 DFAAHN COCCN1CCC(CNC(=O)c2sccc2C(C)C)CC1 ZINC000089893496 426316609 /nfs/dbraw/zinc/31/66/09/426316609.db2.gz KUYPVVNULLJMSI-UHFFFAOYSA-N 0 3 324.490 2.960 50 0 DFAAHN C[C@@H]1CCCN1C(=O)CCN(C)Cc1cccc(N(C)C)c1 ZINC000089923307 426318501 /nfs/dbraw/zinc/31/85/01/426318501.db2.gz UPMMDPCWCBQJAK-OAHLLOKOSA-N 0 3 303.450 2.585 50 0 DFAAHN C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)OCO2 ZINC000090803242 426331740 /nfs/dbraw/zinc/33/17/40/426331740.db2.gz JQMDPBUDSOXHTB-HIFRSBDPSA-N 0 3 311.385 2.740 50 0 DFAAHN CCc1nc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2CC)cs1 ZINC000089289952 426285822 /nfs/dbraw/zinc/28/58/22/426285822.db2.gz RSEBLVIIYJUKLQ-DOMZBBRYSA-N 0 3 321.490 2.832 50 0 DFAAHN CC(C)Cc1cc(-c2nc(CC3CCN(C)CC3)no2)on1 ZINC000096131294 426401059 /nfs/dbraw/zinc/40/10/59/426401059.db2.gz QXCWFTJVDMYPIT-UHFFFAOYSA-N 0 3 304.394 2.807 50 0 DFAAHN Cc1nc(C(=O)NC[C@H](c2ccccc2C)N(C)C)cs1 ZINC000096141530 426402462 /nfs/dbraw/zinc/40/24/62/426402462.db2.gz YYLDSNLFCQZJIM-OAHLLOKOSA-N 0 3 303.431 2.793 50 0 DFAAHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075502 426363346 /nfs/dbraw/zinc/36/33/46/426363346.db2.gz SAMVNEQKSDVXBW-HNNXBMFYSA-N 0 3 305.422 2.770 50 0 DFAAHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(F)cc1OC(F)F ZINC000095422870 426372732 /nfs/dbraw/zinc/37/27/32/426372732.db2.gz WSPARZABNNNRBI-KOLCDFICSA-N 0 3 316.323 2.699 50 0 DFAAHN Cc1cc2c(cc1C)[C@@H](NC[C@@H](O)c1cnn(C)c1)CCCO2 ZINC000095968541 426379665 /nfs/dbraw/zinc/37/96/65/426379665.db2.gz TWZNRCMIBASLOP-DLBZAZTESA-N 0 3 315.417 2.574 50 0 DFAAHN C[C@@H](NCCN1CCCC1=O)c1cccc(Br)c1 ZINC000095984418 426382388 /nfs/dbraw/zinc/38/23/88/426382388.db2.gz LQTFHPRPROIETH-LLVKDONJSA-N 0 3 311.223 2.722 50 0 DFAAHN COc1cccc2cc([C@@H](C)NC[C@]3(O)CCSC3)oc21 ZINC000095987981 426383468 /nfs/dbraw/zinc/38/34/68/426383468.db2.gz KVDQWBSTQREXDE-BDJLRTHQSA-N 0 3 307.415 2.960 50 0 DFAAHN CC(C)[C@H](C(=O)N[C@@H]1CC(C)(C)OC1(C)C)N1CCCCC1 ZINC000095994520 426384972 /nfs/dbraw/zinc/38/49/72/426384972.db2.gz ZUJRCUGEOZBHJS-HUUCEWRRSA-N 0 3 310.482 2.959 50 0 DFAAHN CN(C)c1ccncc1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000095996701 426385943 /nfs/dbraw/zinc/38/59/43/426385943.db2.gz HKSVOYVGOJBABE-KRWDZBQOSA-N 0 3 314.433 2.667 50 0 DFAAHN O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000096407458 426416466 /nfs/dbraw/zinc/41/64/66/426416466.db2.gz NPHVZKKGYSVTFZ-ZIAGYGMSSA-N 0 3 320.383 2.811 50 0 DFAAHN COc1ccc([C@H]2[C@@H](COC(=O)c3ccon3)CCN2C)cc1 ZINC000096420387 426419469 /nfs/dbraw/zinc/41/94/69/426419469.db2.gz OPLHBQDOKFOVNN-CJNGLKHVSA-N 0 3 316.357 2.533 50 0 DFAAHN CN(C)Cc1c2ccccc2oc1C(=O)N(C)Cc1cnccn1 ZINC000096436648 426424793 /nfs/dbraw/zinc/42/47/93/426424793.db2.gz IECMXVQMIVWMRT-UHFFFAOYSA-N 0 3 324.384 2.557 50 0 DFAAHN CCc1cc(N2CCC(NCc3nc(C)cs3)CC2)ncn1 ZINC000096449357 426427885 /nfs/dbraw/zinc/42/78/85/426427885.db2.gz RMWKIVIBPJATRR-UHFFFAOYSA-N 0 3 317.462 2.563 50 0 DFAAHN CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(F)cc1F ZINC000096482919 426433030 /nfs/dbraw/zinc/43/30/30/426433030.db2.gz ZYOBVALCOKUPLR-UHFFFAOYSA-N 0 3 319.355 2.737 50 0 DFAAHN CCc1ccc(NC(=O)NCCN2CCC(OC)CC2)cc1F ZINC000096483763 426434411 /nfs/dbraw/zinc/43/44/11/426434411.db2.gz FTZXBCLQYVVZSK-UHFFFAOYSA-N 0 3 323.412 2.620 50 0 DFAAHN C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000096484927 426435135 /nfs/dbraw/zinc/43/51/35/426435135.db2.gz XIBCWWVMSVWNPJ-HZMBPMFUSA-N 0 3 320.330 2.653 50 0 DFAAHN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(CO)c1 ZINC000096493952 426435287 /nfs/dbraw/zinc/43/52/87/426435287.db2.gz 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CC[C@H](CO)NCc1cc(Cl)cc(OC)c1OC(C)C ZINC000040728298 183125675 /nfs/dbraw/zinc/12/56/75/183125675.db2.gz DIJFERHDHYZVTG-CYBMUJFWSA-N 0 3 301.814 2.996 50 0 DFAAHN Clc1ccccc1CN[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802029 194132728 /nfs/dbraw/zinc/13/27/28/194132728.db2.gz HXGSHUHCSYBATM-CQSZACIVSA-N 0 3 302.809 2.889 50 0 DFAAHN C[C@H](Cc1ccsc1)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000106529402 194225451 /nfs/dbraw/zinc/22/54/51/194225451.db2.gz KBMWVEPXSQDNMS-UONOGXRCSA-N 0 3 309.479 2.710 50 0 DFAAHN CCN(C(=O)c1cc[nH]n1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106575549 194232518 /nfs/dbraw/zinc/23/25/18/194232518.db2.gz WTMZFMAWSYKQON-ZBFHGGJFSA-N 0 3 312.417 2.707 50 0 DFAAHN CCN(C(=O)c1ccn[nH]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106575549 194232520 /nfs/dbraw/zinc/23/25/20/194232520.db2.gz WTMZFMAWSYKQON-ZBFHGGJFSA-N 0 3 312.417 2.707 50 0 DFAAHN O=c1[nH]c2ccccc2cc1CN[C@H]1CCO[C@@H]1c1cccnc1 ZINC000285122529 218298929 /nfs/dbraw/zinc/29/89/29/218298929.db2.gz RONKBAHXUKSETA-ZWKOTPCHSA-N 0 3 321.380 2.955 50 0 DFAAHN O=C(c1ccco1)N1CCC(NCc2cc(F)ccc2F)CC1 ZINC000048710893 183682273 /nfs/dbraw/zinc/68/22/73/183682273.db2.gz VZHWNHABCUVWSE-UHFFFAOYSA-N 0 3 320.339 2.952 50 0 DFAAHN C[C@@H](CNC(=S)Nc1ccc2c(c1)CCC2)N1CCCC1 ZINC000053518943 183905370 /nfs/dbraw/zinc/90/53/70/183905370.db2.gz NSNBWGOYFJJHQW-ZDUSSCGKSA-N 0 3 303.475 2.946 50 0 DFAAHN O[C@H](CN1CCC(c2cc[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000058279128 184098767 /nfs/dbraw/zinc/09/87/67/184098767.db2.gz VDIDIHYAJFRXLP-MRXNPFEDSA-N 0 3 305.809 2.976 50 0 DFAAHN COCc1ccccc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000058283562 184100288 /nfs/dbraw/zinc/10/02/88/184100288.db2.gz FESOGIYEVSKLKI-OAHLLOKOSA-N 0 3 304.434 2.683 50 0 DFAAHN CCOc1cccc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000058326062 184105412 /nfs/dbraw/zinc/10/54/12/184105412.db2.gz KWYLHJSQWDNFQC-MRXNPFEDSA-N 0 3 302.418 2.786 50 0 DFAAHN Cc1cccc(NC(=O)[C@@H]2CCCN(CCc3ccccn3)C2)n1 ZINC000058427531 184116790 /nfs/dbraw/zinc/11/67/90/184116790.db2.gz VCOZIUVTCOAIKN-MRXNPFEDSA-N 0 3 324.428 2.678 50 0 DFAAHN CCN(CC)[C@H](CNC(=O)CN(C)C(C)C)c1ccccc1 ZINC000060161738 184145212 /nfs/dbraw/zinc/14/52/12/184145212.db2.gz WLALDPZXIJGDFL-QGZVFWFLSA-N 0 3 305.466 2.526 50 0 DFAAHN CN(Cc1ccc(CO)o1)C[C@H]1CCN(c2ccccc2)C1 ZINC000065374410 184331097 /nfs/dbraw/zinc/33/10/97/184331097.db2.gz ROUWEIDKECFPGT-OAHLLOKOSA-N 0 3 300.402 2.730 50 0 DFAAHN Cc1ccsc1[C@@H]1CCN(Cc2nc(C)ccc2O)C[C@H]1O ZINC000065425877 184342955 /nfs/dbraw/zinc/34/29/55/184342955.db2.gz YSFNJKXBGLKCNR-CZUORRHYSA-N 0 3 318.442 2.816 50 0 DFAAHN Cc1ccsc1[C@@H]1CC[N@H+](Cc2nc(C)ccc2[O-])C[C@H]1O ZINC000065425877 184342956 /nfs/dbraw/zinc/34/29/56/184342956.db2.gz YSFNJKXBGLKCNR-CZUORRHYSA-N 0 3 318.442 2.816 50 0 DFAAHN Cc1ccsc1[C@@H]1CC[N@@H+](Cc2nc(C)ccc2[O-])C[C@H]1O ZINC000065425877 184342958 /nfs/dbraw/zinc/34/29/58/184342958.db2.gz YSFNJKXBGLKCNR-CZUORRHYSA-N 0 3 318.442 2.816 50 0 DFAAHN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000065477724 184352559 /nfs/dbraw/zinc/35/25/59/184352559.db2.gz RZZBRZHAHYOXNH-HNNXBMFYSA-N 0 3 310.401 2.636 50 0 DFAAHN Cc1ccc(NC(=O)CNCCNc2ncccc2C)c(C)c1 ZINC000065398119 184336155 /nfs/dbraw/zinc/33/61/55/184336155.db2.gz AKUXYBGIJCPHSF-UHFFFAOYSA-N 0 3 312.417 2.647 50 0 DFAAHN CCN(C)CCNC(=O)c1sc(-c2cccs2)nc1C ZINC000065403902 184337057 /nfs/dbraw/zinc/33/70/57/184337057.db2.gz LFLFVMKYQJYBFS-UHFFFAOYSA-N 0 3 309.460 2.862 50 0 DFAAHN Cc1cccnc1CN1CCN(C[C@H]2CCOC(C)(C)C2)CC1 ZINC000065529575 184360991 /nfs/dbraw/zinc/36/09/91/184360991.db2.gz LBVJUJJKEASFBL-KRWDZBQOSA-N 0 3 317.477 2.713 50 0 DFAAHN COc1ccc(CCC(=O)N2CCCN(CC(C)C)CC2)cc1 ZINC000065565741 184366914 /nfs/dbraw/zinc/36/69/14/184366914.db2.gz GEWSDUXXNHYTDT-UHFFFAOYSA-N 0 3 318.461 2.818 50 0 DFAAHN CC(=O)Nc1cccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000065568545 184367844 /nfs/dbraw/zinc/36/78/44/184367844.db2.gz VINDRTMUVXOYNR-MCIONIFRSA-N 0 3 317.433 2.523 50 0 DFAAHN CCCOc1ccccc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000067723610 542458893 /nfs/dbraw/zinc/45/88/93/542458893.db2.gz PDTARMMDPLPBTG-LSDHHAIUSA-N 0 3 302.418 2.784 50 0 DFAAHN OC[C@@]12CN(Cc3ccsc3)C[C@@H]1c1ccccc1OC2 ZINC000095363783 285284674 /nfs/dbraw/zinc/28/46/74/285284674.db2.gz IRZHOOLRVGRQPG-NVXWUHKLSA-N 0 3 301.411 2.719 50 0 DFAAHN NC(=O)[C@H](NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccccc1 ZINC000247748711 256608339 /nfs/dbraw/zinc/60/83/39/256608339.db2.gz RJYIBWBRAMIQPB-OTWHNJEPSA-N 0 3 324.424 2.971 50 0 DFAAHN CC1=CCN(C(=O)NCCN2CC[C@H](c3ccccc3)C2)CC1 ZINC000426599027 257246334 /nfs/dbraw/zinc/24/63/34/257246334.db2.gz WNGHQNHWUGJWTJ-SFHVURJKSA-N 0 3 313.445 2.838 50 0 DFAAHN COc1cccc(F)c1CN1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 ZINC000426474491 257249720 /nfs/dbraw/zinc/24/97/20/257249720.db2.gz ZXPQBJIPMCRFNS-JEBQAFNWSA-N 0 3 323.408 2.993 50 0 DFAAHN CCN1CC[C@H](N(C)C(=O)c2nnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000390833096 257260665 /nfs/dbraw/zinc/26/06/65/257260665.db2.gz CCHQQVVJIBWMRU-NEPJUHHUSA-N 0 3 324.494 2.638 50 0 DFAAHN C[C@@H](NCc1ccc(F)c(CO)c1)c1ccc2c(c1)OCO2 ZINC000090779500 542538831 /nfs/dbraw/zinc/53/88/31/542538831.db2.gz RQUNTGHXXWQGAG-LLVKDONJSA-N 0 3 303.333 2.898 50 0 DFAAHN Cc1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cs1 ZINC000294980300 533602210 /nfs/dbraw/zinc/60/22/10/533602210.db2.gz XJCDZWBHNXNGCC-CQSZACIVSA-N 0 3 302.447 2.974 50 0 DFAAHN CCOc1ccc(CN2CCCC[C@@H]2CC(N)=O)cc1Cl ZINC000216005571 542875058 /nfs/dbraw/zinc/87/50/58/542875058.db2.gz FAQCYTMKJXOTNF-CYBMUJFWSA-N 0 3 310.825 2.969 50 0 DFAAHN O=C(NCCCc1ccccn1)C1(N2CCCC2)CCCC1 ZINC000222772034 542883596 /nfs/dbraw/zinc/88/35/96/542883596.db2.gz NPVJGRSAYADPKK-UHFFFAOYSA-N 0 3 301.434 2.539 50 0 DFAAHN C[C@@H](Cc1ccsc1)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000052524787 425884873 /nfs/dbraw/zinc/88/48/73/425884873.db2.gz KBMWVEPXSQDNMS-KBPBESRZSA-N 0 3 309.479 2.710 50 0 DFAAHN Cc1ccc([C@@H](C)N(C)CCCN2C(=O)NC(C)(C)C2=O)s1 ZINC000053214002 425887119 /nfs/dbraw/zinc/88/71/19/425887119.db2.gz OBQHPEMVJGCLBB-GFCCVEGCSA-N 0 3 323.462 2.770 50 0 DFAAHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000053516915 425888097 /nfs/dbraw/zinc/88/80/97/425888097.db2.gz VCAMIGXLFFRWNH-VXGBXAGGSA-N 0 3 324.384 2.534 50 0 DFAAHN CN1CCC(N(Cc2ccco2)C(=O)c2cncc(F)c2)CC1 ZINC000129840737 196079697 /nfs/dbraw/zinc/07/96/97/196079697.db2.gz KNQVXMXNTRENQP-UHFFFAOYSA-N 0 3 317.364 2.550 50 0 DFAAHN CC1(C)C[C@@H](O)CCN(Cc2cnn(-c3ccccc3F)c2)C1 ZINC000670441068 544041161 /nfs/dbraw/zinc/04/11/61/544041161.db2.gz LFDAJCQZQYQOFY-HNNXBMFYSA-N 0 3 317.408 2.994 50 0 DFAAHN Fc1cccc(OC2CCN(CCCn3cccn3)CC2)c1 ZINC000670447957 544042148 /nfs/dbraw/zinc/04/21/48/544042148.db2.gz JDBQPBNZIIULMR-UHFFFAOYSA-N 0 3 303.381 2.956 50 0 DFAAHN Cc1ccc(SC2CCN(CCn3cnnc3)CC2)cc1 ZINC000670457988 544043609 /nfs/dbraw/zinc/04/36/09/544043609.db2.gz DSMSBAOAINWSEM-UHFFFAOYSA-N 0 3 302.447 2.843 50 0 DFAAHN CCC1=NO[C@@H](CN(C)CC2(N3CCOCC3)CCCCC2)C1 ZINC000670465603 544044970 /nfs/dbraw/zinc/04/49/70/544044970.db2.gz WYGUWTVSAZETPI-QGZVFWFLSA-N 0 3 323.481 2.508 50 0 DFAAHN c1cn2c(cccc2CN2CC[C@@H](n3cnc4c3CCCC4)C2)n1 ZINC000299752432 229395933 /nfs/dbraw/zinc/39/59/33/229395933.db2.gz UDCXOPIDCDPYNY-MRXNPFEDSA-N 0 3 321.428 2.857 50 0 DFAAHN Cc1cc(C(=O)NCCN2CCCC[C@H]2C)nn1C(C)(C)C ZINC000055376840 425893140 /nfs/dbraw/zinc/89/31/40/425893140.db2.gz ITIDPAZYAMIZGS-CYBMUJFWSA-N 0 3 306.454 2.551 50 0 DFAAHN CCSc1cc(C(=O)N2CCC[C@H]2CN2CCCC2)ccn1 ZINC000058306267 425897619 /nfs/dbraw/zinc/89/76/19/425897619.db2.gz MVXBGJRTRVDPSH-HNNXBMFYSA-N 0 3 319.474 2.894 50 0 DFAAHN CCCN1CCn2nc(-c3nc4ccc(OC)cc4[nH]3)cc2C1 ZINC000067513892 425911033 /nfs/dbraw/zinc/91/10/33/425911033.db2.gz RCSJWAUFSMPCPD-UHFFFAOYSA-N 0 3 311.389 2.661 50 0 DFAAHN CCc1nccn1C[C@@H](C)NCc1[nH]nc2c1CCCCC2 ZINC000067433628 425910420 /nfs/dbraw/zinc/91/04/20/425910420.db2.gz WREIPLOPFUQSKZ-CYBMUJFWSA-N 0 3 301.438 2.616 50 0 DFAAHN CCN(CC1=CCN(C)CC1)C(=O)[C@@H](C)Oc1ccccc1 ZINC000067604716 425911665 /nfs/dbraw/zinc/91/16/65/425911665.db2.gz NVAWNDRWGXBCBN-OAHLLOKOSA-N 0 3 302.418 2.564 50 0 DFAAHN Cc1cc(C)n(C[C@@H](C)NCC(=O)Nc2ccc(F)cc2C)n1 ZINC000067696619 425912839 /nfs/dbraw/zinc/91/28/39/425912839.db2.gz UESWLGMCFIXSNA-CYBMUJFWSA-N 0 3 318.396 2.564 50 0 DFAAHN COc1ccc2c(C)nc(N(C)C[C@@]3(C)CCN(C)C3)nc2c1 ZINC000067757030 425912869 /nfs/dbraw/zinc/91/28/69/425912869.db2.gz RZUGTRKISAGTSC-SFHVURJKSA-N 0 3 314.433 2.725 50 0 DFAAHN COc1ccc2cc(CN(C)CCc3ccccn3)c(=O)[nH]c2c1 ZINC000067908898 425914666 /nfs/dbraw/zinc/91/46/66/425914666.db2.gz OKPQMQXCNHHFRS-UHFFFAOYSA-N 0 3 323.396 2.606 50 0 DFAAHN C/C=C(\C)CN1CC[C@H](CNC(=O)c2onc3ccccc32)C1 ZINC000067909869 425914738 /nfs/dbraw/zinc/91/47/38/425914738.db2.gz GHZPAEHWROIYRA-XHAHAKLZSA-N 0 3 313.401 2.846 50 0 DFAAHN C/C(=C\c1ccco1)CN1CC[C@H](CNC(=O)C2CCC2)C1 ZINC000067955384 425915239 /nfs/dbraw/zinc/91/52/39/425915239.db2.gz HPFMXOSSDOLADF-YVGNARHYSA-N 0 3 302.418 2.921 50 0 DFAAHN COc1cc2c(c(NC(=O)OC(C)(C)C)c1OC)CCNC2 ZINC000068591451 425919200 /nfs/dbraw/zinc/91/92/00/425919200.db2.gz UAUKNFNUULBRRD-UHFFFAOYSA-N 0 3 308.378 2.697 50 0 DFAAHN Cc1ccc(C)c2c(=O)cc(CN3C[C@H]4CC[C@@H](C3)[C@H]4O)[nH]c12 ZINC000102557164 425922393 /nfs/dbraw/zinc/92/23/93/425922393.db2.gz UDBABESHJJCADV-BDQBCWGISA-N 0 3 312.413 2.760 50 0 DFAAHN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCCC[C@@H]1CCO ZINC000069249593 425933797 /nfs/dbraw/zinc/93/37/97/425933797.db2.gz IQRIFYSOJQOEMB-RHSMWYFYSA-N 0 3 322.424 2.582 50 0 DFAAHN CCN(CC)C(=O)C1CCN(Cc2ccccc2OC)CC1 ZINC000000299519 425550878 /nfs/dbraw/zinc/55/08/78/425550878.db2.gz QYDZREVRRSELHQ-UHFFFAOYSA-N 0 3 304.434 2.776 50 0 DFAAHN COc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1 ZINC000000455471 425562173 /nfs/dbraw/zinc/56/21/73/425562173.db2.gz ZVYUZJJIKFSBTK-UHFFFAOYSA-N 0 3 316.445 2.966 50 0 DFAAHN COc1ccc(CN2CCC(C(=O)NC3CCCC3)CC2)cc1 ZINC000000819236 425572631 /nfs/dbraw/zinc/57/26/31/425572631.db2.gz NGXKHCCRSQVAOH-UHFFFAOYSA-N 0 3 316.445 2.966 50 0 DFAAHN Nc1ccc2[nH]c(CCCc3nc4cc(N)ccc4[nH]3)nc2c1 ZINC000001504965 425581491 /nfs/dbraw/zinc/58/14/91/425581491.db2.gz YVGGTBMNMKTKDZ-UHFFFAOYSA-N 0 3 306.373 2.779 50 0 DFAAHN Nc1ccc2[nH]c(CCCc3nc4ccc(N)cc4[nH]3)nc2c1 ZINC000001504965 425581492 /nfs/dbraw/zinc/58/14/92/425581492.db2.gz YVGGTBMNMKTKDZ-UHFFFAOYSA-N 0 3 306.373 2.779 50 0 DFAAHN O=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12 ZINC000002507616 425594882 /nfs/dbraw/zinc/59/48/82/425594882.db2.gz NGAGMBNBKCDCDJ-UHFFFAOYSA-N 0 3 306.365 2.870 50 0 in-vivo DFAAHN CCOc1ccccc1CN1CCC(C(=O)N2CCCC2)CC1 ZINC000000236163 425547238 /nfs/dbraw/zinc/54/72/38/425547238.db2.gz LGZUARMIEQVHSA-UHFFFAOYSA-N 0 3 316.445 2.920 50 0 DFAAHN CNCc1cc(Br)cc(Br)c1OC ZINC000008377347 425668100 /nfs/dbraw/zinc/66/81/00/425668100.db2.gz LJHYWPAXPKVULP-UHFFFAOYSA-N 0 3 309.001 2.940 50 0 DFAAHN COc1cccc(CNC[C@H](C)O)c1OCc1ccc(F)cc1 ZINC000008498051 425669900 /nfs/dbraw/zinc/66/99/00/425669900.db2.gz YODFNJSBBNLLEE-ZDUSSCGKSA-N 0 3 319.376 2.884 50 0 DFAAHN CN(C)c1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000008710531 425674613 /nfs/dbraw/zinc/67/46/13/425674613.db2.gz MLVYNYABGOTBFJ-GOSISDBHSA-N 0 3 311.429 2.785 50 0 DFAAHN c1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 ZINC000006742801 425628918 /nfs/dbraw/zinc/62/89/18/425628918.db2.gz AJRZBLXWDTYESR-UHFFFAOYSA-N 0 3 311.414 2.544 50 0 DFAAHN O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1ccncc1 ZINC000012717548 425735429 /nfs/dbraw/zinc/73/54/29/425735429.db2.gz QSCHDUSBRGDZGJ-SFHVURJKSA-N 0 3 309.413 2.519 50 0 DFAAHN OCCOCCNCc1ccccc1OCc1ccccc1F ZINC000010435666 425702466 /nfs/dbraw/zinc/70/24/66/425702466.db2.gz MSCTYZNVZRZPQW-UHFFFAOYSA-N 0 3 319.376 2.503 50 0 DFAAHN Cc1cc(C)cc(CN2CCC(=O)N(Cc3ccncc3)CC2)c1 ZINC000012152471 425719285 /nfs/dbraw/zinc/71/92/85/425719285.db2.gz KPVZJSMVRCFMKC-UHFFFAOYSA-N 0 3 323.440 2.933 50 0 DFAAHN O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1cccnc1 ZINC000012459615 425727972 /nfs/dbraw/zinc/72/79/72/425727972.db2.gz BARRCSAEGASOCC-SFHVURJKSA-N 0 3 309.413 2.519 50 0 DFAAHN COc1ccc(C(=O)[C@H]2CCCN(C3CCOCC3)C2)cc1F ZINC000014960256 425775614 /nfs/dbraw/zinc/77/56/14/425775614.db2.gz TVIMFJCVDWODGA-AWEZNQCLSA-N 0 3 321.392 2.908 50 0 DFAAHN COc1ccc(CN[C@@H]2COc3c(cccc3OC)C2)cc1O ZINC000014954149 425775850 /nfs/dbraw/zinc/77/58/50/425775850.db2.gz AGAHCRGQFGUYOY-AWEZNQCLSA-N 0 3 315.369 2.503 50 0 DFAAHN CCN1CCN(c2ccc(NC(=O)c3ccco3)cc2C)CC1 ZINC000016725158 425786377 /nfs/dbraw/zinc/78/63/77/425786377.db2.gz GUDGQQDHMZEZDS-UHFFFAOYSA-N 0 3 313.401 2.982 50 0 DFAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)[C@@H]1CCCO1 ZINC000020166344 425793212 /nfs/dbraw/zinc/79/32/12/425793212.db2.gz CFMRDEJTNHJHTR-MSOLQXFVSA-N 0 3 316.445 2.899 50 0 DFAAHN CC(C)[C@H](CNC(=O)c1ccncc1)N1CCc2ccccc2C1 ZINC000025535863 425805687 /nfs/dbraw/zinc/80/56/87/425805687.db2.gz REHQSJUKOLMZAV-IBGZPJMESA-N 0 3 323.440 2.894 50 0 DFAAHN CNC1(c2nnnn2-c2cccc(C(F)(F)F)c2)CCCC1 ZINC000046078259 425863960 /nfs/dbraw/zinc/86/39/60/425863960.db2.gz NRRXPPCLNMZHNK-UHFFFAOYSA-N 0 3 311.311 2.670 50 0 DFAAHN COc1ccc([C@H]2CCCN2CCC(=O)NC2CC2)c(OC)c1 ZINC000026908092 425814300 /nfs/dbraw/zinc/81/43/00/425814300.db2.gz KGNOLHFQQOINKS-MRXNPFEDSA-N 0 3 318.417 2.509 50 0 DFAAHN CN(C)[C@H](CNC(=O)c1ccc(F)cc1F)Cc1ccccc1 ZINC000027582860 425817200 /nfs/dbraw/zinc/81/72/00/425817200.db2.gz TVJMQTMILURFSB-HNNXBMFYSA-N 0 3 318.367 2.868 50 0 DFAAHN Cc1ccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000028727220 425822714 /nfs/dbraw/zinc/82/27/14/425822714.db2.gz HSOJPOYBAWASBR-AWEZNQCLSA-N 0 3 318.442 2.835 50 0 DFAAHN CC1CCN(CCNC(=O)N2CCc3sccc3C2)CC1 ZINC000046369022 425865113 /nfs/dbraw/zinc/86/51/13/425865113.db2.gz WRJYRVLIKNNNBS-UHFFFAOYSA-N 0 3 307.463 2.548 50 0 DFAAHN CCC(C)(C)NCC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000029051948 425824763 /nfs/dbraw/zinc/82/47/63/425824763.db2.gz SWYBXFQNPGQYPN-UHFFFAOYSA-N 0 3 312.797 2.828 50 0 DFAAHN Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000032401229 425838420 /nfs/dbraw/zinc/83/84/20/425838420.db2.gz WIXXFWUKABSQRD-UHFFFAOYSA-N 0 3 309.413 2.568 50 0 DFAAHN O=C(Cc1cccc(F)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000032732063 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426331439 /nfs/dbraw/zinc/33/14/39/426331439.db2.gz AGLIWORZXFKCGN-KDOFPFPSSA-N 0 3 305.418 2.649 50 0 DFAAHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000090801837 426332136 /nfs/dbraw/zinc/33/21/36/426332136.db2.gz LHTCVZBZKPQNSX-RDTXWAMCSA-N 0 3 324.428 2.970 50 0 DFAAHN O[C@@H]1CCCOC12CCN(Cc1ccc3occc3c1)CC2 ZINC000095373599 426368995 /nfs/dbraw/zinc/36/89/95/426368995.db2.gz FSJIMGCBFCRMQP-QGZVFWFLSA-N 0 3 301.386 2.939 50 0 DFAAHN C[C@@H](CN1CCOCC1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095420338 426372142 /nfs/dbraw/zinc/37/21/42/426372142.db2.gz BVOSVWKRAFEQBJ-RDJZCZTQSA-N 0 3 316.445 2.743 50 0 DFAAHN CN(C)[C@@H](CNC(=O)N(C)Cc1ccoc1)c1ccccc1 ZINC000095954593 426376880 /nfs/dbraw/zinc/37/68/80/426376880.db2.gz PUSMALKMRFQNIC-INIZCTEOSA-N 0 3 301.390 2.724 50 0 DFAAHN Cc1oc(-c2cccs2)nc1C(=O)NC[C@@H]1CCCN1C ZINC000095955523 426377413 /nfs/dbraw/zinc/37/74/13/426377413.db2.gz KZPAOUPPUIAQQR-NSHDSACASA-N 0 3 305.403 2.536 50 0 DFAAHN 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426473087 /nfs/dbraw/zinc/47/30/87/426473087.db2.gz AEXDRALZPHCUMU-UHFFFAOYSA-N 0 3 317.433 2.810 50 0 DFAAHN Fc1cc(CN2CCN(C3CCOCC3)CC2)ccc1Cl ZINC000097756526 426474052 /nfs/dbraw/zinc/47/40/52/426474052.db2.gz GGMABEDAWXGUQN-UHFFFAOYSA-N 0 3 312.816 2.776 50 0 DFAAHN CC(C)(CN1CC[C@H]1c1ccc(F)cc1)CN1CCOCC1 ZINC000097785454 426474844 /nfs/dbraw/zinc/47/48/44/426474844.db2.gz SKWBQKGJPBSXHH-KRWDZBQOSA-N 0 3 306.425 2.931 50 0 DFAAHN CC[C@@H]1CCCCN1CCNC(=O)c1cn2ccc(C)cc2n1 ZINC000097939010 426475840 /nfs/dbraw/zinc/47/58/40/426475840.db2.gz AVJWHYDJUGQEAQ-OAHLLOKOSA-N 0 3 314.433 2.637 50 0 DFAAHN CC(C)(C(=O)NCCCN1CC=CC1)c1cccc(Cl)c1 ZINC000101421000 426484191 /nfs/dbraw/zinc/48/41/91/426484191.db2.gz QPUCCRSCVORHER-UHFFFAOYSA-N 0 3 306.837 2.996 50 0 DFAAHN Oc1c2onc(C=Cc3ccccc3)c2c(O)n1-c1ccccc1 ZINC000101510064 426484215 /nfs/dbraw/zinc/48/42/15/426484215.db2.gz XNLMCXIBUGXMOR-SFDDJJRUSA-N 0 3 318.332 2.644 50 0 DFAAHN CO[C@H]1[C@@H]2CC[C@H]1CN(Cc1cn(C)nc1-c1ccccc1)C2 ZINC000101735629 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