smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1OCC(=O)N1CCCN(C2CCC2)CC1 ZINC000827939087 799506563 /nfs/dbraw/zinc/50/65/63/799506563.db2.gz KDNXXQRYUCEXAW-UHFFFAOYSA-N 0 3 302.418 2.461 50 0 DEAAHN CN1CCCN(CC(=O)Nc2nc3c(cccc3F)s2)CC1 ZINC001506400898 1061939717 /nfs/dbraw/zinc/93/97/17/1061939717.db2.gz LLPQJUGQYOZOHG-UHFFFAOYSA-N 0 3 322.409 2.011 50 0 DEAAHN CCCN1CCC[C@H]1C(=O)NC[C@](C)(O)c1cc(C)oc1C ZINC000081818488 192328177 /nfs/dbraw/zinc/32/81/77/192328177.db2.gz CGOFNMXLHUOTKZ-RDJZCZTQSA-N 0 3 308.422 2.095 50 0 DEAAHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC(=O)NC(C)(C)C ZINC000088676991 185262049 /nfs/dbraw/zinc/26/20/49/185262049.db2.gz GAZOWKBLCQQIGJ-ZBFHGGJFSA-N 0 3 303.450 2.011 50 0 DEAAHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cccc2c1OCCO2 ZINC000089949033 185271271 /nfs/dbraw/zinc/27/12/71/185271271.db2.gz SWRQRLPZLOMWSV-ZBFHGGJFSA-N 0 3 318.417 2.194 50 0 DEAAHN Cc1cn2cc(C(=O)N3CCN(c4ccncc4)CC3)ccc2n1 ZINC000082108040 192356600 /nfs/dbraw/zinc/35/66/00/192356600.db2.gz PMHLDNQSVCIMJR-UHFFFAOYSA-N 0 3 321.384 2.000 50 0 DEAAHN O=C1CC[C@@]2(CCCN(Cc3ccsc3)C2)CN1CCCO ZINC000082134051 192360397 /nfs/dbraw/zinc/36/03/97/192360397.db2.gz FXPJWLUBPGIUDA-QGZVFWFLSA-N 0 3 322.474 2.335 50 0 DEAAHN CN(C)C1CN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1 ZINC000095450188 185368819 /nfs/dbraw/zinc/36/88/19/185368819.db2.gz QNVUUAOGPRPIBF-UHFFFAOYSA-N 0 3 323.322 2.308 50 0 DEAAHN CC(C)Sc1ccccc1C(=O)NCCOCCN(C)C ZINC000095465567 185371897 /nfs/dbraw/zinc/37/18/97/185371897.db2.gz KIMMIMOQVQQBIX-UHFFFAOYSA-N 0 3 310.463 2.495 50 0 DEAAHN CS(=O)(=O)[C@H]1CCC[C@@H]1NCCOc1ccccc1Cl ZINC000097033439 185399785 /nfs/dbraw/zinc/39/97/85/185399785.db2.gz GMPAUUZTFBWKCY-JSGCOSHPSA-N 0 3 317.838 2.274 50 0 DEAAHN COc1cc(OC)cc(N2CC[C@H](NCc3cccnc3)C2)c1 ZINC000083920106 539391393 /nfs/dbraw/zinc/39/13/93/539391393.db2.gz DGVJYKAXBDVHAN-HNNXBMFYSA-N 0 3 313.401 2.467 50 0 DEAAHN CN1CCC[C@@H](CNC(=O)c2cnns2)[C@H]1c1cccs1 ZINC000247203578 530055106 /nfs/dbraw/zinc/05/51/06/530055106.db2.gz BXXAXXMMXFJJJC-GWCFXTLKSA-N 0 3 322.459 2.413 50 0 DEAAHN COCCN1CC[C@H](CNC(=O)/C=C\c2c(F)cccc2F)C1 ZINC000103922197 539437686 /nfs/dbraw/zinc/43/76/86/539437686.db2.gz QNTNNMUHORFBAP-CFHLNLSMSA-N 0 3 324.371 2.063 50 0 DEAAHN C[C@H](C[C@H](O)c1ccco1)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000225357438 539729851 /nfs/dbraw/zinc/72/98/51/539729851.db2.gz OFCDZPUMDSUEHF-QTVXIADOSA-N 0 3 308.422 2.469 50 0 DEAAHN Cc1cc(C2CCC2)nc(NCCN2CCC[C@@H](CO)C2)n1 ZINC000071751150 191022388 /nfs/dbraw/zinc/02/23/88/191022388.db2.gz KFCNMYPERLRFNW-CQSZACIVSA-N 0 3 304.438 2.169 50 0 DEAAHN CC1=C(CCN2CCN[C@@H](C(=O)NC3CC3)C2)C(C)(C)CCC1 ZINC000072127352 191043217 /nfs/dbraw/zinc/04/32/17/191043217.db2.gz PFBOQSBGNNBCPA-QGZVFWFLSA-N 0 3 319.493 2.456 50 0 DEAAHN OCCN(C[C@H](O)c1cccc(C(F)(F)F)c1)CC1CC1 ZINC000143145331 186033628 /nfs/dbraw/zinc/03/36/28/186033628.db2.gz SXSMGDYLYXCGAL-AWEZNQCLSA-N 0 3 303.324 2.443 50 0 DEAAHN CCN1CC2(CCN(Cc3cccc4nonc43)CC2)OC1=O ZINC000072410818 191154319 /nfs/dbraw/zinc/15/43/19/191154319.db2.gz TZMVCHOWJLDYQD-UHFFFAOYSA-N 0 3 316.361 2.030 50 0 DEAAHN Cc1nn(C)c2nc(C)nc(NCCN3CCC[C@@H](C)C3)c12 ZINC000072426152 191159487 /nfs/dbraw/zinc/15/94/87/191159487.db2.gz JJMSOOBUSXGFGC-LLVKDONJSA-N 0 3 302.426 2.124 50 0 DEAAHN CCCc1cnc(C)nc1N1CCN(CC(C)C)[C@H](CCO)C1 ZINC000072436183 191166110 /nfs/dbraw/zinc/16/61/10/191166110.db2.gz AQEHGAHGZDGXTC-QGZVFWFLSA-N 0 3 320.481 2.267 50 0 DEAAHN CC(C)c1cnc(CN(C)[C@@H]2CCN(C[C@H]3CCCO3)C2)o1 ZINC000299754309 539859887 /nfs/dbraw/zinc/85/98/87/539859887.db2.gz FITNJPKFGSNOPV-HUUCEWRRSA-N 0 3 307.438 2.483 50 0 DEAAHN CC[C@H]1CN(C(=O)c2cccc(CCC(C)(C)O)c2)CCN1 ZINC000072475886 191177157 /nfs/dbraw/zinc/17/71/57/191177157.db2.gz QOOIQVPWNCDJFR-INIZCTEOSA-N 0 3 304.434 2.214 50 0 DEAAHN Cc1ccc(C(=O)NCc2c(C)ncc3c2CCNC3)c(F)c1 ZINC000072475658 191177217 /nfs/dbraw/zinc/17/72/17/191177217.db2.gz CAJHQCCRSVXBLD-UHFFFAOYSA-N 0 3 313.376 2.413 50 0 DEAAHN O=C1CCN([C@H]2CCSC2)CCN1Cc1cccc(F)c1 ZINC000011983274 354023535 /nfs/dbraw/zinc/02/35/35/354023535.db2.gz LONYVJWWGGUXTM-HNNXBMFYSA-N 0 3 308.422 2.366 50 0 DEAAHN CN(C)CCCNC(=O)c1cc(C(=O)C2CCCCC2)c[nH]1 ZINC000004014594 181062269 /nfs/dbraw/zinc/06/22/69/181062269.db2.gz WBTUVRCPTVQBCL-UHFFFAOYSA-N 0 3 305.422 2.459 50 0 DEAAHN Cc1cc(C)c(CNC(=O)[C@H]2CCCCN2CC(C)C)c(=O)[nH]1 ZINC000075122933 355070255 /nfs/dbraw/zinc/07/02/55/355070255.db2.gz YOYOZCUSVXOUBQ-MRXNPFEDSA-N 0 3 319.449 2.118 50 0 DEAAHN CN(C)c1ccccc1NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000078822076 355280258 /nfs/dbraw/zinc/28/02/58/355280258.db2.gz IKTFXMVTWFQHGL-AWEZNQCLSA-N 0 3 302.422 2.453 50 0 DEAAHN C[C@@H]1OCC[C@@H]1N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000089555786 355536751 /nfs/dbraw/zinc/53/67/51/355536751.db2.gz NQLOOWBKEMMBMV-SZMVWBNQSA-N 0 3 316.445 2.377 50 0 DEAAHN CC(CO)(CO)NCCOC(c1ccccc1)c1ccccc1 ZINC000096026377 355698066 /nfs/dbraw/zinc/69/80/66/355698066.db2.gz RRUWENDWSHNYEL-UHFFFAOYSA-N 0 3 315.413 2.126 50 0 DEAAHN CN1CCC[C@H](CNC(=O)c2ccn[nH]2)[C@H]1c1cccs1 ZINC000110619611 355743150 /nfs/dbraw/zinc/74/31/50/355743150.db2.gz USPNYDKQFHOGAP-RISCZKNCSA-N 0 3 304.419 2.284 50 0 DEAAHN OCC1(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)COC1 ZINC000181542255 356084711 /nfs/dbraw/zinc/08/47/11/356084711.db2.gz XOGBSRINHPSTCV-CYBMUJFWSA-N 0 3 317.307 2.171 50 0 DEAAHN CC(C)[C@H](N)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000195555020 356256994 /nfs/dbraw/zinc/25/69/94/356256994.db2.gz LQZVVGZXDFUWGB-INIZCTEOSA-N 0 3 308.397 2.317 50 0 DEAAHN CC(C)(CN[C@H]1CCCOc2cc3c(cc21)CCC3)C(N)=O ZINC000195558744 356257231 /nfs/dbraw/zinc/25/72/31/356257231.db2.gz ZTCCBONCOMIFIA-HNNXBMFYSA-N 0 3 302.418 2.490 50 0 DEAAHN COC(=O)[C@@H](C)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000285069071 356370212 /nfs/dbraw/zinc/37/02/12/356370212.db2.gz PAANBGQHRIUXLJ-WDEREUQCSA-N 0 3 319.327 2.348 50 0 DEAAHN CCOc1ccc(NC(=S)N[C@H]2CN3CCC2CC3)cc1 ZINC000005737060 181278484 /nfs/dbraw/zinc/27/84/84/181278484.db2.gz NSSPWOWNPJXOGY-HNNXBMFYSA-N 0 3 305.447 2.466 50 0 DEAAHN CC[C@H](Cn1ccnc1)NC(=O)C1(N2CCCC2)CCCC1 ZINC000584895684 357328639 /nfs/dbraw/zinc/32/86/39/357328639.db2.gz FWPHHHNWPIBNLS-OAHLLOKOSA-N 0 3 304.438 2.187 50 0 DEAAHN CCOC(=O)N1CC[C@H](NCc2ccc3[nH]c(C)nc3c2)C1 ZINC000584897610 357329721 /nfs/dbraw/zinc/32/97/21/357329721.db2.gz WHNLABOVZZDUTQ-ZDUSSCGKSA-N 0 3 302.378 2.192 50 0 DEAAHN CCOC(=O)N1CC[C@H](NCc2ccc3nc(C)[nH]c3c2)C1 ZINC000584897610 357329724 /nfs/dbraw/zinc/32/97/24/357329724.db2.gz WHNLABOVZZDUTQ-ZDUSSCGKSA-N 0 3 302.378 2.192 50 0 DEAAHN COc1cccc2ncn(CCN3CCCCCC3)c(=O)c21 ZINC000584896456 357329888 /nfs/dbraw/zinc/32/98/88/357329888.db2.gz MIBMVWGYDZTZAM-UHFFFAOYSA-N 0 3 301.390 2.281 50 0 DEAAHN O=C(N[C@@H]1COC2(CNC2)C1)c1ccccc1Nc1ccccc1 ZINC000585136562 357337258 /nfs/dbraw/zinc/33/72/58/357337258.db2.gz KTZGJFTWFGLFMX-HNNXBMFYSA-N 0 3 323.396 2.291 50 0 DEAAHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1OC(F)F ZINC000657420827 540305859 /nfs/dbraw/zinc/30/58/59/540305859.db2.gz BEZJRCIGYKHJHX-NEPJUHHUSA-N 0 3 316.323 2.431 50 0 DEAAHN Cc1cc(Cl)ccc1S(=O)(=O)NC[C@]1(C)CCN(C)C1 ZINC000670435001 540932808 /nfs/dbraw/zinc/93/28/08/540932808.db2.gz PPKYYDAMQKMHAM-AWEZNQCLSA-N 0 3 316.854 2.269 50 0 DEAAHN O[C@H]1CCCN(CCCNc2cc(C(F)(F)F)ccn2)C1 ZINC000670458219 540937025 /nfs/dbraw/zinc/93/70/25/540937025.db2.gz AROOLMSTMWBHOR-LBPRGKRZSA-N 0 3 303.328 2.359 50 0 DEAAHN CNC(=O)C[C@@H]1CCN(Cc2cnn(-c3ccccc3C)c2)C1 ZINC000670466077 540937492 /nfs/dbraw/zinc/93/74/92/540937492.db2.gz ZMXIWPURWNGNHX-HNNXBMFYSA-N 0 3 312.417 2.139 50 0 DEAAHN Cc1ccc(CN2CCC[C@@H](C(=O)NCC(F)(F)F)C2)o1 ZINC000093682876 193288710 /nfs/dbraw/zinc/28/87/10/193288710.db2.gz CMDABCRCQZPXNI-LLVKDONJSA-N 0 3 304.312 2.479 50 0 DEAAHN Cc1ccc2ncc(CN3CC[C@H](Cc4cnn(C)c4)C3)n2c1 ZINC000093870666 193320946 /nfs/dbraw/zinc/32/09/46/193320946.db2.gz QZCIVEXWDLDZQP-OAHLLOKOSA-N 0 3 309.417 2.441 50 0 DEAAHN C[C@@H]1CN(C2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000019868078 182157752 /nfs/dbraw/zinc/15/77/52/182157752.db2.gz OJSQJYYLFNJTIJ-HUUCEWRRSA-N 0 3 302.418 2.400 50 0 DEAAHN O=C(CNC[C@H]1CCCO1)Nc1ccccc1Br ZINC000020055642 182184374 /nfs/dbraw/zinc/18/43/74/182184374.db2.gz JEFLAPBSFOFYON-SNVBAGLBSA-N 0 3 313.195 2.156 50 0 DEAAHN COc1ccc(-c2cc(=O)n(CCN3CCCCC3)cn2)cc1 ZINC000022605173 182327081 /nfs/dbraw/zinc/32/70/81/182327081.db2.gz GXCGADZYSODNGT-UHFFFAOYSA-N 0 3 313.401 2.405 50 0 DEAAHN Nc1nc(Cl)cc(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000040051228 183030011 /nfs/dbraw/zinc/03/00/11/183030011.db2.gz XKGFTUBDUDIZRN-LBPRGKRZSA-N 0 3 303.797 2.399 50 0 DEAAHN COc1ccc2nc(C)cc(N[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000041474230 183193751 /nfs/dbraw/zinc/19/37/51/183193751.db2.gz NWCYZITXKRMDGK-NSHDSACASA-N 0 3 306.387 2.151 50 0 DEAAHN COc1ccccc1[C@@H](O)CNCc1ccc(NC(C)=O)cc1 ZINC000058264090 184095447 /nfs/dbraw/zinc/09/54/47/184095447.db2.gz MMINQTKVAOPQHH-KRWDZBQOSA-N 0 3 314.385 2.477 50 0 DEAAHN C[C@H](CNC(=O)Cc1cn2ccsc2n1)N1CCC(C)CC1 ZINC000058283735 184100507 /nfs/dbraw/zinc/10/05/07/184100507.db2.gz YKXKFDICHKAAIM-CYBMUJFWSA-N 0 3 320.462 2.175 50 0 DEAAHN Cn1nccc1C1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000058290005 184101010 /nfs/dbraw/zinc/10/10/10/184101010.db2.gz JNWVCOMSOROYON-QGZVFWFLSA-N 0 3 303.381 2.472 50 0 DEAAHN COCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000058393231 184112562 /nfs/dbraw/zinc/11/25/62/184112562.db2.gz BIUKDYYWZGOHGW-UHFFFAOYSA-N 0 3 318.339 2.242 50 0 DEAAHN CN(C)CCSc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000060479090 184150209 /nfs/dbraw/zinc/15/02/09/184150209.db2.gz PERJUOZNCSDTKI-LBPRGKRZSA-N 0 3 307.375 2.236 50 0 DEAAHN CN(C)CCOc1ccccc1C(=O)Nn1cnc2ccccc21 ZINC000059003117 184133243 /nfs/dbraw/zinc/13/32/43/184133243.db2.gz JZBARMCAPDGEIU-UHFFFAOYSA-N 0 3 324.384 2.361 50 0 DEAAHN CCNc1cc(NCCNC(=O)c2ccc(C)cc2)nc(C)n1 ZINC000065362885 184328492 /nfs/dbraw/zinc/32/84/92/184328492.db2.gz BYYBSLJKXVEBBM-UHFFFAOYSA-N 0 3 313.405 2.367 50 0 DEAAHN Cc1ccc(NC[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)nc1 ZINC000065487569 184352374 /nfs/dbraw/zinc/35/23/74/184352374.db2.gz RFTWAQMIKGZVQI-MRXNPFEDSA-N 0 3 312.417 2.023 50 0 DEAAHN O=c1[n-]c(Cc2c(Cl)cccc2Cl)nc2c1CC[NH2+]CC2 ZINC000065528178 184360194 /nfs/dbraw/zinc/36/01/94/184360194.db2.gz OWZNSRSKAXRMMJ-UHFFFAOYSA-N 0 3 324.211 2.356 50 0 DEAAHN COc1ccc(CNCCC(=O)N2CCC[C@H](C)C2)c(OC)c1 ZINC000065497357 184355132 /nfs/dbraw/zinc/35/51/32/184355132.db2.gz DAADILZEYYANRT-AWEZNQCLSA-N 0 3 320.433 2.442 50 0 DEAAHN Cc1ccc(S(=O)(=O)N2CCC3(CCN(C)C3)CC2)cc1 ZINC000065508650 184356718 /nfs/dbraw/zinc/35/67/18/184356718.db2.gz QFOOXXFVLGRRNH-UHFFFAOYSA-N 0 3 308.447 2.101 50 0 DEAAHN NC(=O)[C@H](NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000026160463 257210862 /nfs/dbraw/zinc/21/08/62/257210862.db2.gz LXOGFOCLZLMTMC-LJQANCHMSA-N 0 3 323.440 2.467 50 0 DEAAHN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@]2(C)CCCO2)cc1 ZINC000185679475 292171447 /nfs/dbraw/zinc/17/14/47/292171447.db2.gz URPFLDZFPZELKB-GOEBONIOSA-N 0 3 311.447 2.316 50 0 DEAAHN CCOCC(=O)N[C@H]1CN(CCC(F)(F)F)C[C@@H]1C(C)C ZINC000091707889 286026354 /nfs/dbraw/zinc/02/63/54/286026354.db2.gz PZFODJJJQUJRDP-NEPJUHHUSA-N 0 3 310.360 2.048 50 0 DEAAHN CCn1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cn1 ZINC000074429029 401738181 /nfs/dbraw/zinc/73/81/81/401738181.db2.gz KJTKSYCTSGALDC-UHFFFAOYSA-N 0 3 316.405 2.233 50 0 DEAAHN Fc1ccccc1OCCN1CCCC[C@H]1Cn1cncn1 ZINC000071876168 401690181 /nfs/dbraw/zinc/69/01/81/401690181.db2.gz OYWCUFAUBMBBPD-AWEZNQCLSA-N 0 3 304.369 2.351 50 0 DEAAHN CC(C)NC(=O)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000072141698 401703361 /nfs/dbraw/zinc/70/33/61/401703361.db2.gz GTIMBAYORPYQKB-MRXNPFEDSA-N 0 3 301.434 2.326 50 0 DEAAHN Cc1cnn(CCNCC(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000072253142 401704406 /nfs/dbraw/zinc/70/44/06/401704406.db2.gz IKFYAAOHWOFHGM-HNNXBMFYSA-N 0 3 318.446 2.206 50 0 DEAAHN Cc1ccoc1CN[C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C ZINC000072300648 401708462 /nfs/dbraw/zinc/70/84/62/401708462.db2.gz ZELBEEGQAMHBIF-UONOGXRCSA-N 0 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O=C(NC1CC1)[C@H](NC[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000084519368 401906642 /nfs/dbraw/zinc/90/66/42/401906642.db2.gz PKWDMPYYTJIQRQ-DOTOQJQBSA-N 0 3 324.428 2.370 50 0 DEAAHN COc1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1OC ZINC000084753045 401909923 /nfs/dbraw/zinc/90/99/23/401909923.db2.gz VWJVKHFICKCKPW-HNNXBMFYSA-N 0 3 306.406 2.052 50 0 DEAAHN Cc1nc(CCNC(=O)NCCN2CCCC[C@@H]2C)cs1 ZINC000044967720 401951610 /nfs/dbraw/zinc/95/16/10/401951610.db2.gz QKELASBISZPUKK-LBPRGKRZSA-N 0 3 310.467 2.168 50 0 DEAAHN CN(C[C@@H]1CCCN(CCn2ccnc2)C1)C(=O)OC(C)(C)C ZINC000089661712 401956452 /nfs/dbraw/zinc/95/64/52/401956452.db2.gz HLYWCOARAWPEOX-HNNXBMFYSA-N 0 3 322.453 2.462 50 0 DEAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@H]1CCCO1 ZINC000044892565 401949426 /nfs/dbraw/zinc/94/94/26/401949426.db2.gz ULNYLIVWTBWNRX-ZIAGYGMSSA-N 0 3 323.462 2.363 50 0 DEAAHN O=C(Cn1ccnc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095354101 402027124 /nfs/dbraw/zinc/02/71/24/402027124.db2.gz IHXMZOLAIAYGHD-QZTJIDSGSA-N 0 3 324.428 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CNC(=O)Cc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000069978960 190846173 /nfs/dbraw/zinc/84/61/73/190846173.db2.gz BXMUHAVHLHTQQP-CQSZACIVSA-N 0 3 317.433 2.178 50 0 DEAAHN CC(C)(C)[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CNCCO1 ZINC000170048915 539614424 /nfs/dbraw/zinc/61/44/24/539614424.db2.gz MLWSPGLAMSJSOO-JKSUJKDBSA-N 0 3 304.434 2.139 50 0 DEAAHN OCCN(C[C@@H](O)c1cccc(C(F)(F)F)c1)CC1CC1 ZINC000143145134 186033488 /nfs/dbraw/zinc/03/34/88/186033488.db2.gz SXSMGDYLYXCGAL-CQSZACIVSA-N 0 3 303.324 2.443 50 0 DEAAHN Cc1cnn([C@@H](C)C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000253378497 186302657 /nfs/dbraw/zinc/30/26/57/186302657.db2.gz HBBPNYWSUOOYMZ-HNNXBMFYSA-N 0 3 304.438 2.229 50 0 DEAAHN CN(Cc1ccc(CCC(C)(C)O)cc1)C[C@@H]1COCCO1 ZINC000072459154 191172188 /nfs/dbraw/zinc/17/21/88/191172188.db2.gz BGMLTYWFPPBLJT-QGZVFWFLSA-N 0 3 307.434 2.237 50 0 DEAAHN Cn1nnnc1SCCNCc1ccc(-c2ccccc2)o1 ZINC000004488463 181114304 /nfs/dbraw/zinc/11/43/04/181114304.db2.gz CBIUJUQOAUFVIK-UHFFFAOYSA-N 0 3 315.402 2.352 50 0 DEAAHN CC1(C)CC([N-]S(=O)(=O)c2ccccc2F)CC(C)(C)[NH2+]1 ZINC000004511326 181117750 /nfs/dbraw/zinc/11/77/50/181117750.db2.gz BSQUOWFHDTWVDY-UHFFFAOYSA-N 0 3 314.426 2.413 50 0 DEAAHN CC(C)(C)c1n[nH]cc1CNC[C@H]1CCCN1c1cccnn1 ZINC000071877231 354898065 /nfs/dbraw/zinc/89/80/65/354898065.db2.gz QALBIVKBDWALDT-CQSZACIVSA-N 0 3 314.437 2.256 50 0 DEAAHN CN(C)c1cccc([C@H]2CCCN2CCN2CCOC2=O)c1 ZINC000075838498 355109665 /nfs/dbraw/zinc/10/96/65/355109665.db2.gz QMIVGWBVZLLESU-MRXNPFEDSA-N 0 3 303.406 2.342 50 0 DEAAHN COc1ccc(OCCCN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083446517 355467488 /nfs/dbraw/zinc/46/74/88/355467488.db2.gz TYHGNHQMYVZTGB-UHFFFAOYSA-N 0 3 316.405 2.462 50 0 DEAAHN CC(C)c1cnc(CN(C)[C@H]2CCN(C[C@@H]3CCCO3)C2)o1 ZINC000095961642 355697279 /nfs/dbraw/zinc/69/72/79/355697279.db2.gz FITNJPKFGSNOPV-GJZGRUSLSA-N 0 3 307.438 2.483 50 0 DEAAHN O=C(NC1CC1)[C@@H](Cc1ccccc1)N[C@@H]1CCCSC1 ZINC000097371059 355703824 /nfs/dbraw/zinc/70/38/24/355703824.db2.gz BKWQCMDLZOTEQZ-HZPDHXFCSA-N 0 3 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/nfs/dbraw/zinc/33/07/13/357330713.db2.gz DMKUHDCUGZWVQU-KGLIPLIRSA-N 0 3 312.417 2.048 50 0 DEAAHN CCc1ccc(C2=CCN(CCCS(N)(=O)=O)CC2)cc1 ZINC000180909146 199226391 /nfs/dbraw/zinc/22/63/91/199226391.db2.gz LJVTVMPUBYYGRN-UHFFFAOYSA-N 0 3 308.447 2.017 50 0 DEAAHN OC1(CNCc2ccc(N3CCCC3)nc2)CCSCC1 ZINC000089794246 192871499 /nfs/dbraw/zinc/87/14/99/192871499.db2.gz HZLZRYWCIDLHHU-UHFFFAOYSA-N 0 3 307.463 2.030 50 0 DEAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)Cn2cccc2)C1 ZINC000670442281 540933927 /nfs/dbraw/zinc/93/39/27/540933927.db2.gz RVWWHJODHAIPGX-QGZVFWFLSA-N 0 3 311.429 2.402 50 0 DEAAHN Cc1nncn1CCN1CCC(Oc2ccccc2F)CC1 ZINC000670447774 540934737 /nfs/dbraw/zinc/93/47/37/540934737.db2.gz ZCMBLZKUWSFOKD-UHFFFAOYSA-N 0 3 304.369 2.269 50 0 DEAAHN O=C(NCCN1CCCC[C@H]1CO)c1ccc(F)c(Cl)c1 ZINC000670452059 540935838 /nfs/dbraw/zinc/93/58/38/540935838.db2.gz IVDFUNHHUUYGQJ-LBPRGKRZSA-N 0 3 314.788 2.056 50 0 DEAAHN CN(C)[C@H](CNc1nnnn1-c1ccccc1)c1ccccc1 ZINC000006541488 181352852 /nfs/dbraw/zinc/35/28/52/181352852.db2.gz YFWSLKAVAYQRRE-MRXNPFEDSA-N 0 3 308.389 2.377 50 0 DEAAHN CC(C)Oc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1Cl ZINC000091300260 193034480 /nfs/dbraw/zinc/03/44/80/193034480.db2.gz USHDHPAFLAAJOX-GFCCVEGCSA-N 0 3 312.797 2.444 50 0 DEAAHN CNCC(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C)c1C ZINC000091526647 193069763 /nfs/dbraw/zinc/06/97/63/193069763.db2.gz JGGHBQXHYFJHFO-OAHLLOKOSA-N 0 3 312.417 2.202 50 0 DEAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)cc1F)C2 ZINC000091757495 193102894 /nfs/dbraw/zinc/10/28/94/193102894.db2.gz VXUJYMIKLVTPLI-GOEBONIOSA-N 0 3 322.424 2.377 50 0 DEAAHN COCC[C@]1(O)CCN(CCOc2ccc(F)cc2)C[C@H]1C ZINC000091973741 193135413 /nfs/dbraw/zinc/13/54/13/193135413.db2.gz FHVZPCWCMFUOBV-RHSMWYFYSA-N 0 3 311.397 2.314 50 0 DEAAHN CN1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000016602204 182051826 /nfs/dbraw/zinc/05/18/26/182051826.db2.gz KKJAIJXQRALUKD-UHFFFAOYSA-N 0 3 300.761 2.068 50 0 DEAAHN CCOCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000020130440 182189759 /nfs/dbraw/zinc/18/97/59/182189759.db2.gz SLDWLZGFDVWVAM-UHFFFAOYSA-N 0 3 304.434 2.441 50 0 DEAAHN CN(C)[C@@H](CNc1nnnn1-c1ccccc1)c1cccs1 ZINC000023744726 182367770 /nfs/dbraw/zinc/36/77/70/182367770.db2.gz KGZNCLJCGZLIDI-ZDUSSCGKSA-N 0 3 314.418 2.439 50 0 DEAAHN CCCCc1nc(CN2CCN(CC(C)C)[C@H](CCO)C2)c[nH]1 ZINC000039356894 183017331 /nfs/dbraw/zinc/01/73/31/183017331.db2.gz FNWRTBPCWJDDHS-QGZVFWFLSA-N 0 3 322.497 2.277 50 0 DEAAHN Cc1ccc(C)c(C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000041362388 183186942 /nfs/dbraw/zinc/18/69/42/183186942.db2.gz GMPHVMANRMDGBT-UHFFFAOYSA-N 0 3 303.450 2.061 50 0 DEAAHN c1[nH]nc(-c2ccccc2)c1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000106380606 194204552 /nfs/dbraw/zinc/20/45/52/194204552.db2.gz KDMDKRLPKZHIPB-QGZVFWFLSA-N 0 3 312.417 2.030 50 0 DEAAHN CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1(C)C ZINC000106577538 194231815 /nfs/dbraw/zinc/23/18/15/194231815.db2.gz HMXZEWZFKOELFW-QKPAOTATSA-N 0 3 306.450 2.204 50 0 DEAAHN OC[C@@H]1CCCN1C[C@H](O)COc1ccc2ccccc2c1 ZINC000106584769 194233465 /nfs/dbraw/zinc/23/34/65/194233465.db2.gz HJUQFNZHSDORNE-IRXDYDNUSA-N 0 3 301.386 2.036 50 0 DEAAHN O=C(NCCN1CCCC1)C1(c2ccc(F)cc2)CCOCC1 ZINC000057236443 184030726 /nfs/dbraw/zinc/03/07/26/184030726.db2.gz ZKNVUTAAWRRKCM-UHFFFAOYSA-N 0 3 320.408 2.086 50 0 DEAAHN COc1c(CNC[C@@H](c2ccc(F)cc2)N(C)C)c(C)nn1C ZINC000058344978 184107158 /nfs/dbraw/zinc/10/71/58/184107158.db2.gz JKPUYVDXEJUSAN-INIZCTEOSA-N 0 3 320.412 2.269 50 0 DEAAHN CC(C)Oc1ccc(OCCN[C@H]2CCCCNC2=O)cc1 ZINC000065386627 184333339 /nfs/dbraw/zinc/33/33/39/184333339.db2.gz WFVLRSDZIUAZGE-INIZCTEOSA-N 0 3 306.406 2.111 50 0 DEAAHN CCN(C)CCNC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000065411582 184340212 /nfs/dbraw/zinc/34/02/12/184340212.db2.gz DCUUDVSFIXSUCZ-UHFFFAOYSA-N 0 3 324.852 2.456 50 0 DEAAHN COc1cccc(CCN[C@H](C)C(=O)NC2CCCC2)c1OC ZINC000065494205 184354581 /nfs/dbraw/zinc/35/45/81/184354581.db2.gz RHDBOARNWCNDQH-CYBMUJFWSA-N 0 3 320.433 2.283 50 0 DEAAHN C[C@H](NCCN1CCc2ccccc21)C(=O)NC1CCCC1 ZINC000065405586 184338052 /nfs/dbraw/zinc/33/80/52/184338052.db2.gz USHHJQDFUPMIDA-AWEZNQCLSA-N 0 3 301.434 2.086 50 0 DEAAHN COCc1cc(CNCC(=O)Nc2ccc(Cl)c(C)c2)n[nH]1 ZINC000065496597 184354732 /nfs/dbraw/zinc/35/47/32/184354732.db2.gz SPHQOZWTOMQARU-UHFFFAOYSA-N 0 3 322.796 2.246 50 0 DEAAHN C[C@@H](O)CCCN1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408519768 533588475 /nfs/dbraw/zinc/58/84/75/533588475.db2.gz ZWOMFTYLLKAIFE-CVEARBPZSA-N 0 3 319.449 2.296 50 0 DEAAHN NCc1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)co1 ZINC000261687501 145216836 /nfs/dbraw/zinc/21/68/36/145216836.db2.gz HHWXKGWFADAUHM-OAHLLOKOSA-N 0 3 319.792 2.178 50 0 DEAAHN NCc1cc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)co1 ZINC000261687500 145216931 /nfs/dbraw/zinc/21/69/31/145216931.db2.gz HHWXKGWFADAUHM-HNNXBMFYSA-N 0 3 319.792 2.178 50 0 DEAAHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2nc3n(c2c1)CCC3 ZINC000370474220 148021832 /nfs/dbraw/zinc/02/18/32/148021832.db2.gz XMZNFRMFWVZBID-WBMJQRKESA-N 0 3 324.428 2.195 50 0 DEAAHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2cccc(F)c2)C1 ZINC000000178116 401688904 /nfs/dbraw/zinc/68/89/04/401688904.db2.gz ZRVAFLOPWDFBMG-ZDUSSCGKSA-N 0 3 322.380 2.429 50 0 DEAAHN CCc1ccc([C@@H]2CCCN2CCC(=O)N2CCOCC2)o1 ZINC000071910695 401696110 /nfs/dbraw/zinc/69/61/10/401696110.db2.gz WKBHIGUZJZAIEX-HNNXBMFYSA-N 0 3 306.406 2.228 50 0 DEAAHN C[C@@H](NCC(=O)N1CCCc2ccccc21)[C@@H](C)n1cccn1 ZINC000072269798 401705103 /nfs/dbraw/zinc/70/51/03/401705103.db2.gz CNULSQBRHUSBLS-HUUCEWRRSA-N 0 3 312.417 2.402 50 0 DEAAHN O=C(c1ccncc1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077354481 401811587 /nfs/dbraw/zinc/81/15/87/401811587.db2.gz QLZFACKZFGIPJX-UHFFFAOYSA-N 0 3 321.424 2.397 50 0 DEAAHN O=S(=O)(Cc1ccc(Cl)cc1)NCCCN1CCCC1 ZINC000013670447 401802989 /nfs/dbraw/zinc/80/29/89/401802989.db2.gz VUPZSYSARNHDRI-UHFFFAOYSA-N 0 3 316.854 2.245 50 0 DEAAHN CCN1CCC(NC(=S)Nc2ccc(OC)c(OC)c2)CC1 ZINC000013775669 401804536 /nfs/dbraw/zinc/80/45/36/401804536.db2.gz OYAAPRGFIHLSMX-UHFFFAOYSA-N 0 3 323.462 2.475 50 0 DEAAHN 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184331412 /nfs/dbraw/zinc/33/14/12/184331412.db2.gz BPCSLYLRDOGSGK-OAHLLOKOSA-N 0 3 320.433 2.237 50 0 DEAAHN c1ccc2c(c1)CCC[C@H]2NCc1cnc(N2CCOCC2)nc1 ZINC000065473661 184350661 /nfs/dbraw/zinc/35/06/61/184350661.db2.gz ZIABCQZYDCYWBF-GOSISDBHSA-N 0 3 324.428 2.480 50 0 DEAAHN OC[C@H]1CCCN1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000065550041 184364375 /nfs/dbraw/zinc/36/43/75/184364375.db2.gz HJUQFNZHSDORNE-IAGOWNOFSA-N 0 3 301.386 2.036 50 0 DEAAHN CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1(C)C ZINC000065553170 184365241 /nfs/dbraw/zinc/36/52/41/184365241.db2.gz HMXZEWZFKOELFW-KLHDSHLOSA-N 0 3 306.450 2.204 50 0 DEAAHN CN1CCCCC[C@H]1C(=O)N(CCO)Cc1ccccc1F ZINC000065505759 184356925 /nfs/dbraw/zinc/35/69/25/184356925.db2.gz JLDVZMGMGWBMKC-INIZCTEOSA-N 0 3 308.397 2.021 50 0 DEAAHN C[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000155221546 197033708 /nfs/dbraw/zinc/03/37/08/197033708.db2.gz FNYMZKVOEPFFMU-SNVBAGLBSA-N 0 3 311.223 2.334 50 0 DEAAHN CCc1ccc([C@H](CNC(=O)c2ccnn2C)N(C)C)cc1 ZINC000120821558 195244645 /nfs/dbraw/zinc/24/46/45/195244645.db2.gz WNYDGKNRINRNAQ-INIZCTEOSA-N 0 3 300.406 2.015 50 0 DEAAHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2nc3n(c2c1)CCC3 ZINC000370474217 148022376 /nfs/dbraw/zinc/02/23/76/148022376.db2.gz XMZNFRMFWVZBID-BLLLJJGKSA-N 0 3 324.428 2.195 50 0 DEAAHN O=C(NCc1cccc(Cl)c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000072274014 401705539 /nfs/dbraw/zinc/70/55/39/401705539.db2.gz SWPFJRWUOMRAHR-HUUCEWRRSA-N 0 3 323.824 2.002 50 0 DEAAHN CCOCCn1c2ccccc2nc1N1CCCN(C)CC1 ZINC000001530912 401708111 /nfs/dbraw/zinc/70/81/11/401708111.db2.gz KBUZBQVCBVDWKX-UHFFFAOYSA-N 0 3 302.422 2.215 50 0 fda DEAAHN C[NH+](C)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002195179 401712127 /nfs/dbraw/zinc/71/21/27/401712127.db2.gz ZVNJMYWCXADFBF-UHFFFAOYSA-N 0 3 311.234 2.223 50 0 DEAAHN CCOc1ccccc1CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000075128152 401750244 /nfs/dbraw/zinc/75/02/44/401750244.db2.gz ZZMOHEHBHAEEPV-OAHLLOKOSA-N 0 3 305.422 2.321 50 0 DEAAHN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1 ZINC000075132335 401751061 /nfs/dbraw/zinc/75/10/61/401751061.db2.gz YDYJTKPWPPMKGV-INIZCTEOSA-N 0 3 312.417 2.473 50 0 DEAAHN CN(C)CCNc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000008583028 401753786 /nfs/dbraw/zinc/75/37/86/401753786.db2.gz YBRDVTCYCHHQPU-UHFFFAOYSA-N 0 3 316.796 2.442 50 0 DEAAHN CC[C@@H](N[C@@H](C)c1ccc(OC)c(Br)c1)C(N)=O ZINC000075610826 401764298 /nfs/dbraw/zinc/76/42/98/401764298.db2.gz QNEVQVOCYNOCPX-GZMMTYOYSA-N 0 3 315.211 2.372 50 0 DEAAHN COc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)c([O-])c1 ZINC000009917007 401766829 /nfs/dbraw/zinc/76/68/29/401766829.db2.gz YBIMIZXVZTUNKH-UHFFFAOYSA-N 0 3 314.385 2.392 50 0 DEAAHN Cc1ccc(CN(C)C[C@]2(O)CCCN(CC3CCC3)C2=O)o1 ZINC000011843458 401777080 /nfs/dbraw/zinc/77/70/80/401777080.db2.gz XLHFKLJIRCLGBB-GOSISDBHSA-N 0 3 320.433 2.173 50 0 DEAAHN COc1ccc([C@H]2C[C@H](C)N(CCN3CCOC3=O)C2)cc1 ZINC000076394075 401794076 /nfs/dbraw/zinc/79/40/76/401794076.db2.gz BMUVZYNYYFUUJU-ZFWWWQNUSA-N 0 3 304.390 2.325 50 0 DEAAHN COc1ccc([C@@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@@H]2N)cc1 ZINC000015830342 401818816 /nfs/dbraw/zinc/81/88/16/401818816.db2.gz IWWSVINQONJVDG-IKGGRYGDSA-N 0 3 321.384 2.370 50 0 DEAAHN CCOc1ccccc1CN1CCN(CC2CC2)C[C@@H]1CCO ZINC000020538230 401824699 /nfs/dbraw/zinc/82/46/99/401824699.db2.gz NVYSGFFAUQBRPN-SFHVURJKSA-N 0 3 318.461 2.364 50 0 DEAAHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(Cl)c1 ZINC000078598728 401857193 /nfs/dbraw/zinc/85/71/93/401857193.db2.gz KYEQGXOUVLOZTG-UHFFFAOYSA-N 0 3 309.841 2.050 50 0 DEAAHN Cn1cncc1CN[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000116923543 401864416 /nfs/dbraw/zinc/86/44/16/401864416.db2.gz XBWWYIJYERBOTG-LBPRGKRZSA-N 0 3 322.359 2.390 50 0 DEAAHN C[C@@H](Cn1ccnc1-c1ccc(F)cc1F)N1CCN(C)CC1 ZINC000077421997 401815505 /nfs/dbraw/zinc/81/55/05/401815505.db2.gz PQSDCWNGSUBECH-ZDUSSCGKSA-N 0 3 320.387 2.464 50 0 DEAAHN O[C@H]1CCCN(c2ncccc2CNC2Cc3ccccc3C2)C1 ZINC000015069081 401816077 /nfs/dbraw/zinc/81/60/77/401816077.db2.gz WZEXIBPSGSVLKK-IBGZPJMESA-N 0 3 323.440 2.300 50 0 DEAAHN COc1ccc([C@@H](CNC(=O)c2ccc(C)nc2)N(C)C)cc1 ZINC000032201423 401877029 /nfs/dbraw/zinc/87/70/29/401877029.db2.gz HJMSACQPHJDCSS-QGZVFWFLSA-N 0 3 313.401 2.431 50 0 DEAAHN CC[C@@H](CNC(=O)[C@H]1CCCO1)N1CCc2ccccc2C1 ZINC000032817241 401883455 /nfs/dbraw/zinc/88/34/55/401883455.db2.gz YXJQMONNZFKGNR-DLBZAZTESA-N 0 3 302.418 2.119 50 0 DEAAHN C[C@@H](Cn1cccn1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000035272214 401897508 /nfs/dbraw/zinc/89/75/08/401897508.db2.gz JZLBQZKQSQGQMU-NSHDSACASA-N 0 3 307.781 2.486 50 0 DEAAHN CC[C@@H](O)CN(CCCOC)Cc1ccc(OC)c(OC)c1 ZINC000036095933 401901915 /nfs/dbraw/zinc/90/19/15/401901915.db2.gz YCVFJVFTZMTYPP-OAHLLOKOSA-N 0 3 311.422 2.313 50 0 DEAAHN CC[C@@H]1CCCCN1CCNC(=O)COc1ccc(O)cc1 ZINC000084735491 401909802 /nfs/dbraw/zinc/90/98/02/401909802.db2.gz DQMGGQHRPCRLAY-CQSZACIVSA-N 0 3 306.406 2.152 50 0 DEAAHN CN(C)C[C@H]1COCCN1C(=O)Cc1cccc2ccccc21 ZINC000085470029 401916731 /nfs/dbraw/zinc/91/67/31/401916731.db2.gz HPSFZFSWUBBQNT-KRWDZBQOSA-N 0 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/nfs/dbraw/zinc/07/31/13/402073113.db2.gz GGPSSMWSGKAUSC-CYBMUJFWSA-N 0 3 301.390 2.391 50 0 DEAAHN CCC(=O)Nc1cccc(C(=O)N2CCCN(C)C[C@H]2C)c1 ZINC000055182647 402077135 /nfs/dbraw/zinc/07/71/35/402077135.db2.gz VLVAMAUBKRCXCC-CYBMUJFWSA-N 0 3 303.406 2.201 50 0 DEAAHN CC[C@H](C(=O)NCc1cccc(-c2cnn(C)c2)c1)N(C)C ZINC000096486077 402095090 /nfs/dbraw/zinc/09/50/90/402095090.db2.gz MTDXLKGZENKULI-MRXNPFEDSA-N 0 3 300.406 2.044 50 0 DEAAHN COc1ccccc1OCC(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000058343192 402100291 /nfs/dbraw/zinc/10/02/91/402100291.db2.gz OFJIJUDSIVSRDN-OAHLLOKOSA-N 0 3 318.417 2.161 50 0 DEAAHN CN(Cc1cn(C)nc1-c1ccccc1)C1CCS(=O)CC1 ZINC000097033974 402100855 /nfs/dbraw/zinc/10/08/55/402100855.db2.gz HYPZXLWETUWSGT-UHFFFAOYSA-N 0 3 317.458 2.430 50 0 DEAAHN CN(C)CCNC(=O)Nc1ccc(F)c(Br)c1 ZINC000097052197 402103261 /nfs/dbraw/zinc/10/32/61/402103261.db2.gz QIZBDQRBHCHSSX-UHFFFAOYSA-N 0 3 304.163 2.271 50 0 DEAAHN CCS(=O)(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000097098423 402107078 /nfs/dbraw/zinc/10/70/78/402107078.db2.gz RAHYTKBBVIWVQK-UHFFFAOYSA-N 0 3 314.476 2.305 50 0 DEAAHN CN(C)c1ccc(CNCc2cn(C)nc2-c2ccncc2)cn1 ZINC000097159876 402112708 /nfs/dbraw/zinc/11/27/08/402112708.db2.gz GRKGCUKTYMRUJC-UHFFFAOYSA-N 0 3 322.416 2.233 50 0 DEAAHN CN(CCNC(=O)c1cc(C2CC2)nn1C(C)(C)C)C1CC1 ZINC000065402546 402125033 /nfs/dbraw/zinc/12/50/33/402125033.db2.gz VNVRPCZVEJEVGX-UHFFFAOYSA-N 0 3 304.438 2.340 50 0 DEAAHN CC(=O)c1cc(CC(=O)N[C@H]2Cc3ccccc3[C@@H]2N)cs1 ZINC000097594801 402127480 /nfs/dbraw/zinc/12/74/80/402127480.db2.gz NGKGRKCCNSYYBR-YOEHRIQHSA-N 0 3 314.410 2.234 50 0 DEAAHN Cc1cc([C@@H]2CCCN2CC(C)(C)CN2CCOCC2)on1 ZINC000097797630 402132588 /nfs/dbraw/zinc/13/25/88/402132588.db2.gz LFOFQKOJDHEYPR-HNNXBMFYSA-N 0 3 307.438 2.478 50 0 DEAAHN CN1CCC[C@H](CNC(=O)c2cc(-n3cccc3)ccc2O)C1 ZINC000067541447 402162515 /nfs/dbraw/zinc/16/25/15/402162515.db2.gz FJNATCKQHHRSOZ-CQSZACIVSA-N 0 3 313.401 2.255 50 0 DEAAHN Cc1n[nH]c(C)c1CCCN[C@@H](C)C(=O)Nc1nccs1 ZINC000067694592 402167696 /nfs/dbraw/zinc/16/76/96/402167696.db2.gz LXEUVOXREJVKPE-NSHDSACASA-N 0 3 307.423 2.032 50 0 DEAAHN COC(=O)c1cccc(-c2nc(CC3CCN(C)CC3)no2)c1 ZINC000067804426 402173107 /nfs/dbraw/zinc/17/31/07/402173107.db2.gz FUADIYHKSLSFQK-UHFFFAOYSA-N 0 3 315.373 2.408 50 0 DEAAHN CC(=O)Nc1ccsc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000067817960 402173862 /nfs/dbraw/zinc/17/38/62/402173862.db2.gz BTKRYVOXFJBWHE-NWDGAFQWSA-N 0 3 307.419 2.015 50 0 DEAAHN Cc1ccsc1-c1cn([C@H]2COC[C@@H]2N2CCCC2)nn1 ZINC000067867714 402176927 /nfs/dbraw/zinc/17/69/27/402176927.db2.gz XWSIKGMJHNLYCZ-KBPBESRZSA-N 0 3 304.419 2.351 50 0 DEAAHN CCCn1cnnc1CN[C@@H]1CCc2ccc(OC)cc2C1 ZINC000067872753 402176948 /nfs/dbraw/zinc/17/69/48/402176948.db2.gz ZPVCPDLZYUCPAB-OAHLLOKOSA-N 0 3 300.406 2.344 50 0 DEAAHN NC1(C(=O)N2CCc3onc(-c4ccc(Cl)cc4)c3C2)CC1 ZINC000067868521 402177094 /nfs/dbraw/zinc/17/70/94/402177094.db2.gz QHXYGUUQCHAOTI-UHFFFAOYSA-N 0 3 317.776 2.371 50 0 DEAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(F)c(F)c1 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ZINC000097160001 402112538 /nfs/dbraw/zinc/11/25/38/402112538.db2.gz SZVMYWKQCWVBBN-HOCLYGCPSA-N 0 3 303.406 2.255 50 0 DEAAHN CCCOc1ccc(CN[C@@H](C(N)=O)C(C)(C)C)cc1OC ZINC000097162405 402112837 /nfs/dbraw/zinc/11/28/37/402112837.db2.gz ALXHAVWHNKDBLR-HNNXBMFYSA-N 0 3 308.422 2.474 50 0 DEAAHN Cc1nn(C)c2nc(N3CCC[C@]4(CCN(C)C4)C3)sc12 ZINC000096164859 402064011 /nfs/dbraw/zinc/06/40/11/402064011.db2.gz KNMGDPMQRJCQNH-OAHLLOKOSA-N 0 3 305.451 2.260 50 0 DEAAHN Cc1cccc([C@H](NC(=O)NCCN(C)C)C(F)(F)F)c1 ZINC000153103772 402127208 /nfs/dbraw/zinc/12/72/08/402127208.db2.gz WPYMOOAHGBUQSK-LBPRGKRZSA-N 0 3 303.328 2.459 50 0 DEAAHN CCn1nc(C)cc1C(=O)NC[C@H]1CCN(Cc2ccoc2)C1 ZINC000067920345 402178537 /nfs/dbraw/zinc/17/85/37/402178537.db2.gz LZMNWRZFAVZBPY-CQSZACIVSA-N 0 3 316.405 2.056 50 0 DEAAHN COCCN1CC[C@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000068493056 402200419 /nfs/dbraw/zinc/20/04/19/402200419.db2.gz CWKFDXKXHHNRFP-OAHLLOKOSA-N 0 3 304.434 2.049 50 0 DEAAHN c1cnn(-c2cncc(N[C@H]3CCN(Cc4ccccc4)C3)n2)c1 ZINC000069138123 402214313 /nfs/dbraw/zinc/21/43/13/402214313.db2.gz CSCVSBFQGMQMPT-INIZCTEOSA-N 0 3 320.400 2.349 50 0 DEAAHN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CCc2ncnn2C1 ZINC000069520972 402228944 /nfs/dbraw/zinc/22/89/44/402228944.db2.gz ANCCZKCZBTZQHA-OAHLLOKOSA-N 0 3 322.416 2.185 50 0 DEAAHN c1ccc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)nc1 ZINC000069843593 402247079 /nfs/dbraw/zinc/24/70/79/402247079.db2.gz BSCXMVALAATERE-HNNXBMFYSA-N 0 3 313.405 2.096 50 0 DEAAHN CC[C@H]1CN(CCOc2cccc(F)c2)CCN1CCOC ZINC000069842214 402247210 /nfs/dbraw/zinc/24/72/10/402247210.db2.gz PNBALUVCNSOFLG-INIZCTEOSA-N 0 3 310.413 2.247 50 0 DEAAHN Cc1ccc(-c2cc(CN3CCO[C@H](CN(C)C)C3)on2)cc1 ZINC000069951066 402252342 /nfs/dbraw/zinc/25/23/42/402252342.db2.gz HGCXDNCYEBKUPX-QGZVFWFLSA-N 0 3 315.417 2.412 50 0 DEAAHN CN(C)C[C@H](NC(=O)c1cnccn1)c1ccc(Cl)cc1 ZINC000225791156 402323937 /nfs/dbraw/zinc/32/39/37/402323937.db2.gz TWIJKLDTEIEQGO-AWEZNQCLSA-N 0 3 304.781 2.163 50 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ZINC000108106752 424851145 /nfs/dbraw/zinc/85/11/45/424851145.db2.gz NTGQMHKEXXMLGL-IPMKNSEASA-N 0 3 316.445 2.141 50 0 DEAAHN CCn1cc([C@@H](C)NC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cn1 ZINC000334069668 269015024 /nfs/dbraw/zinc/01/50/24/269015024.db2.gz GGEMOMYGXHHOMZ-ZIAGYGMSSA-N 0 3 319.453 2.090 50 0 DEAAHN COc1ccc(CNC[C@@H]2CCO[C@H]2c2cnn(C)c2)c(F)c1 ZINC000515064752 269342607 /nfs/dbraw/zinc/34/26/07/269342607.db2.gz AERCTSHWSDQNEW-SUMWQHHRSA-N 0 3 319.380 2.435 50 0 DEAAHN COc1ccccc1N1CC[C@@H](CNCc2cncn2C)C1 ZINC000237092307 274158741 /nfs/dbraw/zinc/15/87/41/274158741.db2.gz YFESTBHXCGXKAV-AWEZNQCLSA-N 0 3 300.406 2.045 50 0 DEAAHN Cc1cc(C)nc(N2CCC(N[C@@H](C)c3ccncn3)CC2)n1 ZINC000095376978 274693923 /nfs/dbraw/zinc/69/39/23/274693923.db2.gz QUVXDTDKGPYWRT-AWEZNQCLSA-N 0 3 312.421 2.203 50 0 DEAAHN CN(C)[C@H](CN1C(=O)[C@@H]2CCCCN2C1=O)c1ccccc1 ZINC000225554298 276788533 /nfs/dbraw/zinc/78/85/33/276788533.db2.gz DIGMCMWEGRJQSF-LSDHHAIUSA-N 0 3 301.390 2.106 50 0 DEAAHN CC(C)(C)CN1CCC[C@](O)(CNCc2ccccc2)C1=O ZINC000012712663 277144917 /nfs/dbraw/zinc/14/49/17/277144917.db2.gz BITODGPCTDCGIP-SFHVURJKSA-N 0 3 304.434 2.176 50 0 DEAAHN CN1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cn3)[C@@H]2C1 ZINC000284634820 277180760 /nfs/dbraw/zinc/18/07/60/277180760.db2.gz VEYKLGHONCLXOQ-VXGBXAGGSA-N 0 3 301.312 2.010 50 0 DEAAHN Cc1cc(C)nc(N2CCC(N[C@H](C)c3ccncn3)CC2)n1 ZINC000095376979 280456592 /nfs/dbraw/zinc/45/65/92/280456592.db2.gz QUVXDTDKGPYWRT-CQSZACIVSA-N 0 3 312.421 2.203 50 0 DEAAHN Cc1cccc2nc(CNC(=O)[C@H](C(C)C)N(C)C)n(C)c21 ZINC000157578033 281317333 /nfs/dbraw/zinc/31/73/33/281317333.db2.gz QZXWYPLWXAIECF-HNNXBMFYSA-N 0 3 302.422 2.084 50 0 DEAAHN COc1ccc2c3c1O[C@@]1(C)C[C@@H](O)C=C[C@@]31CCN(C)C2 ZINC000227144317 295278605 /nfs/dbraw/zinc/27/86/05/295278605.db2.gz DYZLZUBOHRETCR-DOPJRALCSA-N 0 3 301.386 2.240 50 0 DEAAHN Cc1cc(CC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)on1 ZINC000299755273 301268233 /nfs/dbraw/zinc/26/82/33/301268233.db2.gz FGOQXYNMFGHXEL-INIZCTEOSA-N 0 3 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2.360 50 0 DEAAHN OCC(CO)N[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000095985045 285246680 /nfs/dbraw/zinc/24/66/80/285246680.db2.gz WFNKEPUXDGVVDS-ZDUSSCGKSA-N 0 3 303.374 2.322 50 0 DEAAHN CCN(C(=O)CNC1(c2ccc(F)cc2)CCOCC1)C1CC1 ZINC000071886835 184888831 /nfs/dbraw/zinc/88/88/31/184888831.db2.gz GYYCXEJNCAQZTF-UHFFFAOYSA-N 0 3 320.408 2.432 50 0 DEAAHN Cc1cc(CN[C@@H]2CCC(=O)N(C)C2)ccc1Br ZINC000073852747 401723675 /nfs/dbraw/zinc/72/36/75/401723675.db2.gz BHFNEGCZEHQVKE-GFCCVEGCSA-N 0 3 311.223 2.468 50 0 DEAAHN O=C(CN1CCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000007339135 401739044 /nfs/dbraw/zinc/73/90/44/401739044.db2.gz ANMKNKGIWJFGDZ-UHFFFAOYSA-N 0 3 315.461 2.253 50 0 DEAAHN COc1ccc([C@H](CNC(=O)c2cc(C)on2)N(C)C)cc1 ZINC000007987200 401746466 /nfs/dbraw/zinc/74/64/66/401746466.db2.gz FHKPHOJPBNFSJB-HNNXBMFYSA-N 0 3 303.362 2.024 50 0 DEAAHN O[C@@H](CN1CCCC[C@@H]1Cn1cncn1)c1ccc(F)cc1 ZINC000071876311 401690486 /nfs/dbraw/zinc/69/04/86/401690486.db2.gz HPISNHJEFYTMGA-CVEARBPZSA-N 0 3 304.369 2.005 50 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DEAAHN CN1CCN(C2(CNC(=O)c3ccccc3)CCCCC2)CC1 ZINC000019795676 401823019 /nfs/dbraw/zinc/82/30/19/401823019.db2.gz YWZWHSDJCVSRIS-UHFFFAOYSA-N 0 3 315.461 2.367 50 0 DEAAHN COc1cc2c(cc1CN[C@H](C)Cn1ccnc1)O[C@@H](C)C2 ZINC000030909794 401867131 /nfs/dbraw/zinc/86/71/31/401867131.db2.gz OGILDRROQKYULC-OLZOCXBDSA-N 0 3 301.390 2.393 50 0 DEAAHN CC(C)N(CCN(C)C)C(=O)C(=O)Nc1cccc(Cl)c1 ZINC000129986349 401814379 /nfs/dbraw/zinc/81/43/79/401814379.db2.gz OANBWSBLXPAJKT-UHFFFAOYSA-N 0 3 311.813 2.077 50 0 DEAAHN COCCN1C[C@]2(CCCN(Cc3ccc(C)o3)C2)CCC1=O ZINC000077457384 401815729 /nfs/dbraw/zinc/81/57/29/401815729.db2.gz FBCHXQAVKMUPCK-GOSISDBHSA-N 0 3 320.433 2.439 50 0 DEAAHN CN(C)[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000032780830 401883318 /nfs/dbraw/zinc/88/33/18/401883318.db2.gz PEZKVKCGDVUYAX-SJLPKXTDSA-N 0 3 310.397 2.409 50 0 DEAAHN Cc1ccccc1CCCN1CCC[C@@H](N2CCNC2=O)C1 ZINC000084677961 401908722 /nfs/dbraw/zinc/90/87/22/401908722.db2.gz XTNOHVHNXDQCRK-QGZVFWFLSA-N 0 3 301.434 2.417 50 0 DEAAHN COCCN1CC[C@@H](c2ncnn2-c2ccc(SC)cc2)C1 ZINC000095362998 402028279 /nfs/dbraw/zinc/02/82/79/402028279.db2.gz XLLYMSFGHIFKBT-CYBMUJFWSA-N 0 3 318.446 2.425 50 0 DEAAHN CCN1CC2(CCN(CCO)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095369607 402029173 /nfs/dbraw/zinc/02/91/73/402029173.db2.gz VYRVKKFYCDFIQR-KRWDZBQOSA-N 0 3 316.445 2.097 50 0 DEAAHN CC(=O)N1CCCN(C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095507387 402033761 /nfs/dbraw/zinc/03/37/61/402033761.db2.gz VSACXLDCHYXEOB-MRXNPFEDSA-N 0 3 302.418 2.182 50 0 DEAAHN Cc1cccn2c(=O)cc(CN[C@H]3CC(C)(C)OC3(C)C)nc12 ZINC000095946098 402035860 /nfs/dbraw/zinc/03/58/60/402035860.db2.gz KVPKGQJJEQEUHD-AWEZNQCLSA-N 0 3 315.417 2.439 50 0 DEAAHN CN(C)CCN(C)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000095963219 402037502 /nfs/dbraw/zinc/03/75/02/402037502.db2.gz FYBYKJQQYLWPGM-QGZVFWFLSA-N 0 3 319.449 2.357 50 0 DEAAHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C)CO ZINC000095978110 402041142 /nfs/dbraw/zinc/04/11/42/402041142.db2.gz DEMLFDMUUSCLKY-JTQLQIEISA-N 0 3 324.222 2.414 50 0 DEAAHN Fc1cccnc1N1CC[C@H](NCc2cccc3c[nH]nc32)C1 ZINC000095990150 402044061 /nfs/dbraw/zinc/04/40/61/402044061.db2.gz DMKJLNPJLIDEIY-AWEZNQCLSA-N 0 3 311.364 2.466 50 0 DEAAHN CC(C)N(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccn1 ZINC000052832909 402047312 /nfs/dbraw/zinc/04/73/12/402047312.db2.gz VZGBWSJGHOBTMY-UHFFFAOYSA-N 0 3 318.421 2.013 50 0 DEAAHN OCC1CCN(CCNc2ncnc3cc(F)c(F)cc32)CC1 ZINC000096429458 402084664 /nfs/dbraw/zinc/08/46/64/402084664.db2.gz DNYJRNXDCDENRM-UHFFFAOYSA-N 0 3 322.359 2.024 50 0 DEAAHN C[C@H](Cc1nc2ccccc2s1)N[C@@H](C)Cn1cncn1 ZINC000096476759 402093637 /nfs/dbraw/zinc/09/36/37/402093637.db2.gz BJZUJFNVFBGQSE-NEPJUHHUSA-N 0 3 301.419 2.497 50 0 DEAAHN CC[C@H](C)Oc1cc(C(=O)N(C)C[C@H]2CCN(C)C2)ccn1 ZINC000096495035 402096349 /nfs/dbraw/zinc/09/63/49/402096349.db2.gz DRGAGJKNOGQFOO-KBPBESRZSA-N 0 3 305.422 2.283 50 0 DEAAHN CCOC(=O)c1ccc(CN[C@H]2CCc3nc(C)cn3C2)o1 ZINC000097034404 402100654 /nfs/dbraw/zinc/10/06/54/402100654.db2.gz FVGBXYIRKZGVEQ-LBPRGKRZSA-N 0 3 303.362 2.066 50 0 DEAAHN NC(=O)[C@@H](NCC1(c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000058370676 402100881 /nfs/dbraw/zinc/10/08/81/402100881.db2.gz ASVVDNBUZYRCPE-KRWDZBQOSA-N 0 3 324.380 2.263 50 0 DEAAHN C[C@](N)(C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C1CC1 ZINC000097049377 402103068 /nfs/dbraw/zinc/10/30/68/402103068.db2.gz UOEKVXPCMCOXSA-GOEBONIOSA-N 0 3 308.809 2.447 50 0 DEAAHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cnn(C)c1 ZINC000097142396 402111059 /nfs/dbraw/zinc/11/10/59/402111059.db2.gz XTJMYMKHHLVKSL-CJNGLKHVSA-N 0 3 313.405 2.062 50 0 DEAAHN Cc1cccc(NC[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)n1 ZINC000097200939 402115789 /nfs/dbraw/zinc/11/57/89/402115789.db2.gz PYQBTUCDWHVHQH-INIZCTEOSA-N 0 3 324.428 2.423 50 0 DEAAHN Cc1cnc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cn1 ZINC000054226302 402064688 /nfs/dbraw/zinc/06/46/88/402064688.db2.gz DEKKXAGVKYBSNL-HOCLYGCPSA-N 0 3 310.401 2.350 50 0 DEAAHN Cc1ccc2c(CN3CCC4(CC3)OCCO4)cc(=O)oc2c1 ZINC000054219982 402064761 /nfs/dbraw/zinc/06/47/61/402064761.db2.gz XKWBPKZMTUZHCK-UHFFFAOYSA-N 0 3 315.369 2.440 50 0 biogenic DEAAHN Cc1ccc([C@H](CNC(=O)c2nn(C)cc2Cl)N(C)C)cc1 ZINC000097776286 402132190 /nfs/dbraw/zinc/13/21/90/402132190.db2.gz ADRBKJKQZOJZPG-AWEZNQCLSA-N 0 3 320.824 2.415 50 0 DEAAHN COCC1(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)CCC1 ZINC000097413311 402124336 /nfs/dbraw/zinc/12/43/36/402124336.db2.gz OVNPRYSHPBICAS-HNNXBMFYSA-N 0 3 320.433 2.425 50 0 DEAAHN CC(C)(N)C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067955287 402180477 /nfs/dbraw/zinc/18/04/77/402180477.db2.gz CHIIAJXPOZGKJV-DLBZAZTESA-N 0 3 312.413 2.254 50 0 DEAAHN CN1CCC[C@]2(CCN(Cc3cc(C(C)(C)C)n[nH]3)C2)C1=O ZINC000067433989 402159000 /nfs/dbraw/zinc/15/90/00/402159000.db2.gz YLGZAKJJCGHXKY-QGZVFWFLSA-N 0 3 304.438 2.152 50 0 DEAAHN CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000067561072 402162653 /nfs/dbraw/zinc/16/26/53/402162653.db2.gz AAXWGBAOVFYYTN-GFCCVEGCSA-N 0 3 323.824 2.370 50 0 DEAAHN C[C@@H](N)C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067833468 402174209 /nfs/dbraw/zinc/17/42/09/402174209.db2.gz HMMMMYPXCWGUDW-LLVKDONJSA-N 0 3 316.380 2.269 50 0 DEAAHN C[C@@H](c1cccc(F)c1)N1CCN(CCC2OCCO2)CC1 ZINC000125161641 402216774 /nfs/dbraw/zinc/21/67/74/402216774.db2.gz DECZEKQKRGDDPP-AWEZNQCLSA-N 0 3 308.397 2.267 50 0 DEAAHN CN1CCO[C@@H](CNCc2ccc(F)c(Br)c2)C1 ZINC000069371158 402220653 /nfs/dbraw/zinc/22/06/53/402220653.db2.gz VHMIXDHMKFDRPA-NSHDSACASA-N 0 3 317.202 2.008 50 0 DEAAHN C[C@@H](NCc1ccccc1N1CCOCC1)[C@@H](C)n1cccn1 ZINC000069437985 402223592 /nfs/dbraw/zinc/22/35/92/402223592.db2.gz JSKQWZKLIRPAHL-HZPDHXFCSA-N 0 3 314.433 2.459 50 0 DEAAHN C[C@H]([C@H](C)NCc1ccccc1N1CCOCC1)n1cccn1 ZINC000069437982 402223791 /nfs/dbraw/zinc/22/37/91/402223791.db2.gz JSKQWZKLIRPAHL-JKSUJKDBSA-N 0 3 314.433 2.459 50 0 DEAAHN C[C@@H]1CN(CC2CCN(Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000069489529 402226645 /nfs/dbraw/zinc/22/66/45/402226645.db2.gz DYDOXXJWBNPZGB-IYBDPMFKSA-N 0 3 303.450 2.403 50 0 DEAAHN CC(C(=O)N[C@@H](C)Cc1ccc2ccccc2c1)S(C)(=O)=O ZINC000069514874 402228384 /nfs/dbraw/zinc/22/83/84/402228384.db2.gz TZVMBFYVYZFZGZ-QWHCGFSZSA-N 0 3 319.426 2.320 50 0 DEAAHN Cn1cc([C@H]2CCCN2C[C@H](O)COCc2cccs2)cn1 ZINC000069625532 402234951 /nfs/dbraw/zinc/23/49/51/402234951.db2.gz HKTJJFWMHJXTSK-GOEBONIOSA-N 0 3 321.446 2.196 50 0 DEAAHN C[C@H](C(=O)Nc1cc(-c2nccn2C)[nH]n1)N1[C@H](C)CC[C@@H]1C ZINC000108123505 402246711 /nfs/dbraw/zinc/24/67/11/402246711.db2.gz WPUVSQCGQQWGMJ-GRYCIOLGSA-N 0 3 316.409 2.010 50 0 DEAAHN c1cc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)ccn1 ZINC000069843618 402247156 /nfs/dbraw/zinc/24/71/56/402247156.db2.gz DQFZNBLCKDDBIB-OAHLLOKOSA-N 0 3 313.405 2.096 50 0 DEAAHN CN(C[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCSC1 ZINC000108363532 402251481 /nfs/dbraw/zinc/25/14/81/402251481.db2.gz JRMSGXNSHUCWAL-QWHCGFSZSA-N 0 3 306.431 2.345 50 0 DEAAHN CN(C)C[C@H](NC(=O)c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000225790946 402323964 /nfs/dbraw/zinc/32/39/64/402323964.db2.gz IUPSNGGSYARCQW-AWEZNQCLSA-N 0 3 306.797 2.106 50 0 DEAAHN CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)N)CC1 ZINC000158186462 402303563 /nfs/dbraw/zinc/30/35/63/402303563.db2.gz BXHRHPMTANVJQC-GFCCVEGCSA-N 0 3 300.406 2.109 50 0 DEAAHN Cc1cccc(NC[C@@H]2CCN([C@@H](C(N)=O)c3ccccc3)C2)n1 ZINC000222204009 402306230 /nfs/dbraw/zinc/30/62/30/402306230.db2.gz CLQNDHVYZSGOKI-MAUKXSAKSA-N 0 3 324.428 2.350 50 0 DEAAHN NC(=O)c1ncn([C@H]2CCCN(CCCC3CCCCC3)C2)n1 ZINC000225423418 402317051 /nfs/dbraw/zinc/31/70/51/402317051.db2.gz MRSWRDSPTPMGET-HNNXBMFYSA-N 0 3 319.453 2.374 50 0 DEAAHN CN1CCO[C@H]2CN(CCCSCc3ccccc3)C[C@H]21 ZINC000230125550 402348033 /nfs/dbraw/zinc/34/80/33/402348033.db2.gz MYHIROVKOTYTLX-SJORKVTESA-N 0 3 306.475 2.325 50 0 DEAAHN COc1cc(NC(=O)CCN2CCCO[C@@H](C)C2)cc(OC)c1 ZINC000244795285 402449397 /nfs/dbraw/zinc/44/93/97/402449397.db2.gz RDGDZCZYATTYMU-ZDUSSCGKSA-N 0 3 322.405 2.143 50 0 DEAAHN CCOc1nc(C)ccc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000241720869 402443987 /nfs/dbraw/zinc/44/39/87/402443987.db2.gz QSXNQCDWDIMPOR-CABCVRRESA-N 0 3 317.433 2.488 50 0 DEAAHN CC(C)OC[C@H](O)CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000245325634 402453418 /nfs/dbraw/zinc/45/34/18/402453418.db2.gz BNYKFVZYCYRNQJ-QZTJIDSGSA-N 0 3 307.434 2.454 50 0 DEAAHN COC(=O)CCN1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000245339368 402453479 /nfs/dbraw/zinc/45/34/79/402453479.db2.gz SGSPCSRJUOESEF-OLZOCXBDSA-N 0 3 317.307 2.376 50 0 DEAAHN CC(C)[C@@H](C(=O)NCc1nnc(C2CC2)o1)N1CCCCC1 ZINC000186920892 402471275 /nfs/dbraw/zinc/47/12/75/402471275.db2.gz OBPNACNTRMXPIV-AWEZNQCLSA-N 0 3 306.410 2.074 50 0 DEAAHN CC[C@H](N)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000170070599 402502856 /nfs/dbraw/zinc/50/28/56/402502856.db2.gz FMZFHLTYTCVINS-NEPJUHHUSA-N 0 3 307.463 2.465 50 0 DEAAHN Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C ZINC000248152406 402584281 /nfs/dbraw/zinc/58/42/81/402584281.db2.gz UOSHLWYPZBHJMI-NILFDRSVSA-N 0 3 305.422 2.480 50 0 DEAAHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ncc(C2OCCO2)s1 ZINC000252552125 402659099 /nfs/dbraw/zinc/65/90/99/402659099.db2.gz UPFCETCNEOSHGJ-OLZOCXBDSA-N 0 3 323.462 2.247 50 0 DEAAHN CCN1CCC[C@H]1CNC(=O)CCc1cccc(OC)c1F ZINC000252483432 402654900 /nfs/dbraw/zinc/65/49/00/402654900.db2.gz FBNVARZQIDFMNS-AWEZNQCLSA-N 0 3 308.397 2.367 50 0 DEAAHN COC[C@@H](C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000252505795 402657078 /nfs/dbraw/zinc/65/70/78/402657078.db2.gz VTTFIGFVMMOVOD-CQSZACIVSA-N 0 3 320.433 2.058 50 0 DEAAHN CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 ZINC000253603902 402669776 /nfs/dbraw/zinc/66/97/76/402669776.db2.gz OZNXXZGFLBYEPP-HOTGVXAUSA-N 0 3 304.438 2.057 50 0 DEAAHN CN1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cn3)[C@H]2C1 ZINC000284634818 403270261 /nfs/dbraw/zinc/27/02/61/403270261.db2.gz VEYKLGHONCLXOQ-NWDGAFQWSA-N 0 3 301.312 2.010 50 0 DEAAHN Cc1nc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(C)s1 ZINC000299775550 403571558 /nfs/dbraw/zinc/57/15/58/403571558.db2.gz DTFBAHRZIDXPGD-CQSZACIVSA-N 0 3 323.462 2.133 50 0 DEAAHN CC(C)[C@H](NC(=O)CSCCN1CCCC1)c1nccn1C ZINC000299783004 403573095 /nfs/dbraw/zinc/57/30/95/403573095.db2.gz GODHJNKUDMKFTM-HNNXBMFYSA-N 0 3 324.494 2.062 50 0 DEAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cncn1C ZINC000298593937 292354927 /nfs/dbraw/zinc/35/49/27/292354927.db2.gz JADCFXHTVNNQHM-HOCLYGCPSA-N 0 3 310.401 2.177 50 0 DEAAHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000241644588 225216688 /nfs/dbraw/zinc/21/66/88/225216688.db2.gz PRYZOVNOQAIBFH-CJNGLKHVSA-N 0 3 320.458 2.033 50 0 DEAAHN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000249823859 225245180 /nfs/dbraw/zinc/24/51/80/225245180.db2.gz IJCLQIGYTURSIS-JSGCOSHPSA-N 0 3 308.809 2.414 50 0 DEAAHN COc1ccc2cc(CNC[C@@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000044862903 424813772 /nfs/dbraw/zinc/81/37/72/424813772.db2.gz VMOFTDLOMMDIBY-AWEZNQCLSA-N 0 3 319.426 2.373 50 0 DEAAHN O=C1C2C(c3ccc(F)cc3)=NO[C@H]2C(=O)N1Cc1ccccc1 ZINC000101361124 424846521 /nfs/dbraw/zinc/84/65/21/424846521.db2.gz YESRZUNGJBNCHD-GOEBONIOSA-N 0 3 324.311 2.114 50 0 DEAAHN C[C@H](CC[C@@H]1CCCO1)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000108099857 424851138 /nfs/dbraw/zinc/85/11/38/424851138.db2.gz DGNGTOLYHVFCMW-WCVJEAGWSA-N 0 3 311.470 2.316 50 0 DEAAHN CN1CCC(CC(=O)N2CCN(C)c3ccccc3C2)CC1 ZINC000291529223 273868469 /nfs/dbraw/zinc/86/84/69/273868469.db2.gz NDKFQWCMBVDLLL-UHFFFAOYSA-N 0 3 301.434 2.197 50 0 DEAAHN Cc1nn(C)c(N(C)C)c1CNC[C@@H]1COc2ccccc2C1 ZINC000065478102 274867389 /nfs/dbraw/zinc/86/73/89/274867389.db2.gz YUXNYRLONMKDEQ-CQSZACIVSA-N 0 3 314.433 2.135 50 0 DEAAHN CCOC(=O)N(C)C1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000097034101 276281853 /nfs/dbraw/zinc/28/18/53/276281853.db2.gz KVSBNGINUFCOKZ-SJORKVTESA-N 0 3 318.417 2.197 50 0 DEAAHN CC(C)(C)NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000095941228 277170382 /nfs/dbraw/zinc/17/03/82/277170382.db2.gz CQMRRQROJZABKU-NXEZZACHSA-N 0 3 323.359 2.321 50 0 DEAAHN COCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000107158830 277228305 /nfs/dbraw/zinc/22/83/05/277228305.db2.gz ZGMFLTZWHAXIID-DOTOQJQBSA-N 0 3 319.449 2.185 50 0 DEAAHN C[C@@H](NC(=O)CN[C@@](C)(CO)C1CCCCC1)c1ccco1 ZINC000077656243 278322194 /nfs/dbraw/zinc/32/21/94/278322194.db2.gz WBIBFGOIIQSOQG-DYVFJYSZSA-N 0 3 308.422 2.378 50 0 DEAAHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CC1(C)CCCCC1 ZINC000095942014 288306090 /nfs/dbraw/zinc/30/60/90/288306090.db2.gz NOEYOCYLTMXMRY-HUUCEWRRSA-N 0 3 314.495 2.455 50 0 DEAAHN CC1(C)C[C@H](N[C@H]2CCCN(CC(F)(F)F)C2=O)C(C)(C)O1 ZINC000090591498 281360527 /nfs/dbraw/zinc/36/05/27/281360527.db2.gz AULWJRZDRPHQQV-QWRGUYRKSA-N 0 3 322.371 2.475 50 0 DEAAHN COc1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)cc1CO ZINC000097376538 337382763 /nfs/dbraw/zinc/38/27/63/337382763.db2.gz UIZQYLXDODFTKX-INIZCTEOSA-N 0 3 304.390 2.000 50 0 DEAAHN COC(=O)[C@H]1C[C@@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000337309773 523986628 /nfs/dbraw/zinc/98/66/28/523986628.db2.gz ZNEWEKMKPLRKCE-STQMWFEESA-N 0 3 301.346 2.075 50 0 DEAAHN COc1ccc(Cl)cc1CNC(=O)N1CCN2CCC1CC2 ZINC000375201086 536561598 /nfs/dbraw/zinc/56/15/98/536561598.db2.gz PNJURICZPRRLDZ-UHFFFAOYSA-N 0 3 323.824 2.338 50 0 DEAAHN CC1(C)CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000174253942 646800309 /nfs/dbraw/zinc/80/03/09/646800309.db2.gz IITYTRYOHGWRJH-INIZCTEOSA-N 0 3 320.408 2.458 50 0 DEAAHN COc1ccccc1-c1noc([C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000874435629 648090242 /nfs/dbraw/zinc/09/02/42/648090242.db2.gz ZZPVLZWLGZDCLA-BXUZGUMPSA-N 0 3 301.346 2.281 50 0 DEAAHN CSCC[C@H](N)C(=O)Nc1ccccc1Cn1ccnc1C ZINC000952974893 792835783 /nfs/dbraw/zinc/83/57/83/792835783.db2.gz CNRHBCMWUWDRTD-AWEZNQCLSA-N 0 3 318.446 2.259 50 0 DEAAHN CCN1CCC[C@H]1CNC(=O)Cn1ccc2ccc(F)cc21 ZINC000095472597 185373025 /nfs/dbraw/zinc/37/30/25/185373025.db2.gz AREKDMPLZWKITQ-HNNXBMFYSA-N 0 3 303.381 2.381 50 0 DEAAHN Cc1cc(NC(=O)N2CC[C@H](N(C)C)C2)n(C2CCCC2)n1 ZINC000095521834 185377408 /nfs/dbraw/zinc/37/74/08/185377408.db2.gz FEUNPDQGWGGVDF-AWEZNQCLSA-N 0 3 305.426 2.474 50 0 DEAAHN C[C@H](NC1CCC(NS(C)(=O)=O)CC1)c1ccccc1F ZINC000090081926 185281102 /nfs/dbraw/zinc/28/11/02/185281102.db2.gz WIVUMROGBWXIAC-HIFPTAJRSA-N 0 3 314.426 2.337 50 0 DEAAHN CCC[C@H](C)CN1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082116065 192357351 /nfs/dbraw/zinc/35/73/51/192357351.db2.gz IGLAFTVGLXDLQB-AWEZNQCLSA-N 0 3 321.469 2.296 50 0 DEAAHN CC(C(=O)N(Cc1ccccc1)CC(F)(F)F)S(C)(=O)=O ZINC000095396280 185352915 /nfs/dbraw/zinc/35/29/15/185352915.db2.gz CTIWLDKFYHFQMS-JTQLQIEISA-N 0 3 323.336 2.011 50 0 DEAAHN C[C@H](C(=O)NCCCCc1cnn(C)c1)N1CCCCCC1 ZINC000095404222 185355085 /nfs/dbraw/zinc/35/50/85/185355085.db2.gz WRSMPFCRSDXQHJ-OAHLLOKOSA-N 0 3 306.454 2.124 50 0 DEAAHN Cc1cccc2c(NC[C@@H]3CCN(S(C)(=O)=O)C3)ccnc12 ZINC000095435638 185364522 /nfs/dbraw/zinc/36/45/22/185364522.db2.gz SQAIJGZIRFSFNI-ZDUSSCGKSA-N 0 3 319.430 2.237 50 0 DEAAHN CN1CCC(Oc2cc(NC(=O)c3cscn3)ccn2)CC1 ZINC000095462404 185371091 /nfs/dbraw/zinc/37/10/91/185371091.db2.gz XTPYAXIBDSDLBW-UHFFFAOYSA-N 0 3 318.402 2.263 50 0 DEAAHN CN1CCO[C@H]2CN(CCCSCc3ccccc3)C[C@@H]21 ZINC000090552802 539417044 /nfs/dbraw/zinc/41/70/44/539417044.db2.gz MYHIROVKOTYTLX-IRXDYDNUSA-N 0 3 306.475 2.325 50 0 DEAAHN Cc1cc(NC(=O)CNC2CC2)ccc1OC1CCOCC1 ZINC000170052817 539614360 /nfs/dbraw/zinc/61/43/60/539614360.db2.gz ZFNHCYYCSCILCZ-UHFFFAOYSA-N 0 3 304.390 2.243 50 0 DEAAHN O[C@@H](COCc1cccs1)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221946622 539728571 /nfs/dbraw/zinc/72/85/71/539728571.db2.gz KZNICRHYGRPNPP-ZIAGYGMSSA-N 0 3 321.446 2.228 50 0 DEAAHN CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000071754945 191024448 /nfs/dbraw/zinc/02/44/48/191024448.db2.gz COXUEICKUNOYSR-CQSZACIVSA-N 0 3 317.433 2.449 50 0 DEAAHN O=S(=O)(N[C@H]1CCCN(CCCc2ccccc2)C1)C1CC1 ZINC000072159092 191062208 /nfs/dbraw/zinc/06/22/08/191062208.db2.gz YISRTLQUCGXMEU-INIZCTEOSA-N 0 3 322.474 2.165 50 0 DEAAHN CN(C)CCNc1cc(-c2ncnc3c2CCC3)c2cc[nH]c2n1 ZINC000072167487 191065966 /nfs/dbraw/zinc/06/59/66/191065966.db2.gz OAEFYAXGIJZWNG-UHFFFAOYSA-N 0 3 322.416 2.482 50 0 DEAAHN OCCCN1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072172874 191069523 /nfs/dbraw/zinc/06/95/23/191069523.db2.gz VDFWMYUYABSPPP-RCCFBDPRSA-N 0 3 322.399 2.209 50 0 DEAAHN COc1ccccc1CN1CCC2(C[C@@H](C(=O)[O-])[N@H+](C)C2)CC1 ZINC000072174231 191070655 /nfs/dbraw/zinc/07/06/55/191070655.db2.gz CWSUMCLMIDGJMX-HNNXBMFYSA-N 0 3 318.417 2.066 50 0 DEAAHN COc1ccccc1CN1CCC2(C[C@@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000072174231 191070658 /nfs/dbraw/zinc/07/06/58/191070658.db2.gz CWSUMCLMIDGJMX-HNNXBMFYSA-N 0 3 318.417 2.066 50 0 DEAAHN Cc1cc(CN2CC[C@H](CN3CCOCC3)C2)cc(Cl)n1 ZINC000225605571 186282741 /nfs/dbraw/zinc/28/27/41/186282741.db2.gz UZLMZJCZYGQTEW-CQSZACIVSA-N 0 3 309.841 2.198 50 0 DEAAHN Cc1cccc([C@H](C)N2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000072561814 191193315 /nfs/dbraw/zinc/19/33/15/191193315.db2.gz HDYCJTUWDJKOHL-INIZCTEOSA-N 0 3 303.450 2.152 50 0 DEAAHN O[C@H](CNC[C@@H]1OCCc2ccccc21)COc1ccccc1 ZINC000004769861 181149653 /nfs/dbraw/zinc/14/96/53/181149653.db2.gz DOMDGVSFKLBTOO-APWZRJJASA-N 0 3 313.397 2.330 50 0 DEAAHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1cscn1 ZINC000076042668 355120370 /nfs/dbraw/zinc/12/03/70/355120370.db2.gz AJLUKFRRKHYHHD-DOMZBBRYSA-N 0 3 306.435 2.361 50 0 DEAAHN COCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000079112106 355297387 /nfs/dbraw/zinc/29/73/87/355297387.db2.gz ZGMFLTZWHAXIID-WBVHZDCISA-N 0 3 319.449 2.185 50 0 DEAAHN CCC[N@H+](CCO)Cc1cc(Br)c([O-])c(OC)c1 ZINC000004987782 181184900 /nfs/dbraw/zinc/18/49/00/181184900.db2.gz OSXYWMCOEVEGCG-UHFFFAOYSA-N 0 3 318.211 2.368 50 0 DEAAHN CCC[N@@H+](CCO)Cc1cc(Br)c([O-])c(OC)c1 ZINC000004987782 181184901 /nfs/dbraw/zinc/18/49/01/181184901.db2.gz OSXYWMCOEVEGCG-UHFFFAOYSA-N 0 3 318.211 2.368 50 0 DEAAHN O=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000005045705 181196043 /nfs/dbraw/zinc/19/60/43/181196043.db2.gz NYUKVIIHSXTKQW-KRWDZBQOSA-N 0 3 302.418 2.194 50 0 DEAAHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234329 355703048 /nfs/dbraw/zinc/70/30/48/355703048.db2.gz YUANFILFFFVBGA-HOTGVXAUSA-N 0 3 317.437 2.131 50 0 DEAAHN CCn1c(C)c(C(=O)NCCN(C)C)c2cc(OC)ccc21 ZINC000005353309 181233708 /nfs/dbraw/zinc/23/37/08/181233708.db2.gz XBQSNTSQBBOZRB-UHFFFAOYSA-N 0 3 303.406 2.270 50 0 DEAAHN CN(C)C(=O)c1cccc(CNC2CSCCSC2)c1 ZINC000584885087 357325112 /nfs/dbraw/zinc/32/51/12/357325112.db2.gz CKXYOFWYCUSYRC-UHFFFAOYSA-N 0 3 310.488 2.327 50 0 DEAAHN Cc1nc(C(F)(F)F)ncc1CN(C)C[C@@H]1CCCN1C ZINC000584900442 357330366 /nfs/dbraw/zinc/33/03/66/357330366.db2.gz IFLNZVXNCULDGX-LBPRGKRZSA-N 0 3 302.344 2.330 50 0 DEAAHN COc1cccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1F ZINC000669682669 540879507 /nfs/dbraw/zinc/87/95/07/540879507.db2.gz ZDQWLYWTNUJFHX-CHWSQXEVSA-N 0 3 315.410 2.280 50 0 DEAAHN COc1cccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1F ZINC000669682671 540879565 /nfs/dbraw/zinc/87/95/65/540879565.db2.gz ZDQWLYWTNUJFHX-QWHCGFSZSA-N 0 3 315.410 2.280 50 0 DEAAHN COCCN1CCC(c2ncnn2-c2cccc(C)c2)CC1 ZINC000670439381 540933106 /nfs/dbraw/zinc/93/31/06/540933106.db2.gz GLLCFQSKWIUZTA-UHFFFAOYSA-N 0 3 300.406 2.402 50 0 DEAAHN CCOc1ccc(CN2CC[C@@H](CC(=O)NC)C2)cc1OC ZINC000670439944 540933180 /nfs/dbraw/zinc/93/31/80/540933180.db2.gz OZDRJUXAUCXSKB-AWEZNQCLSA-N 0 3 306.406 2.052 50 0 DEAAHN C[C@H](CCn1cccn1)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000670439877 540933301 /nfs/dbraw/zinc/93/33/01/540933301.db2.gz AHDWMFTVKYBTFY-OAHLLOKOSA-N 0 3 316.405 2.103 50 0 DEAAHN Fc1ccccc1OC[C@@H]1CCCN(CCn2cnnc2)C1 ZINC000670465101 540937367 /nfs/dbraw/zinc/93/73/67/540937367.db2.gz JNOWOXSFDURCPT-CQSZACIVSA-N 0 3 304.369 2.208 50 0 DEAAHN CCOC(=O)[C@H]1CCCN(CCOc2cccc(OC)c2)C1 ZINC000006701754 181373576 /nfs/dbraw/zinc/37/35/76/181373576.db2.gz UVOIMGPLDNFPEN-AWEZNQCLSA-N 0 3 307.390 2.349 50 0 DEAAHN COc1ccccc1OC1CN(C(=O)[C@@H](N)C2CCCCC2)C1 ZINC000091769787 193105003 /nfs/dbraw/zinc/10/50/03/193105003.db2.gz IHUAFSHNFVFSIO-KRWDZBQOSA-N 0 3 318.417 2.192 50 0 DEAAHN Cc1ccc(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)o1 ZINC000093682875 193288091 /nfs/dbraw/zinc/28/80/91/193288091.db2.gz CMDABCRCQZPXNI-NSHDSACASA-N 0 3 304.312 2.479 50 0 DEAAHN COc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3)C2=O)cc1 ZINC000018107420 182093371 /nfs/dbraw/zinc/09/33/71/182093371.db2.gz DWKRKLKJLINCOT-QGZVFWFLSA-N 0 3 324.380 2.159 50 0 DEAAHN NC(=O)COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000020112605 182188495 /nfs/dbraw/zinc/18/84/95/182188495.db2.gz VVPKIDKNTAMBDU-SFHVURJKSA-N 0 3 321.380 2.267 50 0 biogenic DEAAHN COC(=O)c1cccc(C(=O)N(C)CCN2CCC(C)CC2)c1 ZINC000020539418 182228791 /nfs/dbraw/zinc/22/87/91/182228791.db2.gz RPNOGUSEJNNGCB-UHFFFAOYSA-N 0 3 318.417 2.277 50 0 DEAAHN CC(C)[NH+](CCNC=C1C(=O)[N-]C(=O)c2ccccc21)C(C)C ZINC000021759337 182287902 /nfs/dbraw/zinc/28/79/02/182287902.db2.gz MNNZYCQVVIXMNL-LFIBNONCSA-N 0 3 315.417 2.006 50 0 DEAAHN Cc1cc(C)n(-c2nc(Nc3ccc(C)cc3)[nH]c(=NN)n2)n1 ZINC000034925098 182744520 /nfs/dbraw/zinc/74/45/20/182744520.db2.gz JETZCPFPSUXJIV-UHFFFAOYSA-N 0 3 310.365 2.012 50 0 DEAAHN CC(C)CN1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000040466229 183072790 /nfs/dbraw/zinc/07/27/90/183072790.db2.gz QNXNYEHVYSMPNJ-AWEZNQCLSA-N 0 3 314.433 2.258 50 0 DEAAHN CCn1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000043645766 183376816 /nfs/dbraw/zinc/37/68/16/183376816.db2.gz KENVWTVLTJKYLU-HNNXBMFYSA-N 0 3 313.405 2.299 50 0 DEAAHN O=C1CC[C@@H](NCc2cc(Cl)ccc2OC(F)F)CN1 ZINC000110910965 194369286 /nfs/dbraw/zinc/36/92/86/194369286.db2.gz PPAXHXGQOSZLTN-SNVBAGLBSA-N 0 3 304.724 2.310 50 0 DEAAHN C[C@H](CNC(=O)c1[nH]nc2ccccc21)N1CCC(C)CC1 ZINC000060156703 184145129 /nfs/dbraw/zinc/14/51/29/184145129.db2.gz WADQKRIQDKVBFP-CYBMUJFWSA-N 0 3 300.406 2.413 50 0 DEAAHN COCCN1CC[C@H](CNC(=O)Nc2cc(C)ccc2F)C1 ZINC000062374624 184233646 /nfs/dbraw/zinc/23/36/46/184233646.db2.gz ABZVXFKOANHNPZ-CYBMUJFWSA-N 0 3 309.385 2.224 50 0 DEAAHN O=C(CCNC[C@H]1OCCc2ccccc21)Nc1cccnc1 ZINC000065366157 184329454 /nfs/dbraw/zinc/32/94/54/184329454.db2.gz NHMYHEKNPWVBEL-QGZVFWFLSA-N 0 3 311.385 2.314 50 0 DEAAHN C[C@@H](COc1ccccc1)NCCn1ncc2ccccc2c1=O ZINC000065371353 184329794 /nfs/dbraw/zinc/32/97/94/184329794.db2.gz OZHQJGAJIGVSLX-HNNXBMFYSA-N 0 3 323.396 2.454 50 0 DEAAHN CC(C)c1ncncc1C(=O)NCCN1C[C@@H](C)C[C@H](C)C1 ZINC000065415372 184340972 /nfs/dbraw/zinc/34/09/72/184340972.db2.gz VKJGRYJQMPMBDH-KBPBESRZSA-N 0 3 304.438 2.308 50 0 DEAAHN CCc1ccc2oc(=O)cc(CNCCn3cc(C)nn3)c2c1 ZINC000065467804 184350512 /nfs/dbraw/zinc/35/05/12/184350512.db2.gz DLIWXERYCBBYMN-UHFFFAOYSA-N 0 3 312.373 2.045 50 0 DEAAHN COCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000110630294 285067613 /nfs/dbraw/zinc/06/76/13/285067613.db2.gz FDNNWAVCEORMKI-OCCSQVGLSA-N 0 3 311.451 2.077 50 0 DEAAHN CCN(CC(=O)N(C)c1nccs1)[C@@H]1CCOC(C)(C)C1 ZINC000289827095 221252977 /nfs/dbraw/zinc/25/29/77/221252977.db2.gz OJSXOVGYNBAWMA-GFCCVEGCSA-N 0 3 311.451 2.385 50 0 DEAAHN CCCc1ccc(CN2CCN([C@@H]3CN4CCC3CC4)CC2)o1 ZINC000216510027 257273613 /nfs/dbraw/zinc/27/36/13/257273613.db2.gz DXPCPCOMSDBMGR-LJQANCHMSA-N 0 3 317.477 2.444 50 0 DEAAHN CCOC(=O)CCC[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000138623258 285702549 /nfs/dbraw/zinc/70/25/49/285702549.db2.gz FDBXSADTMWNFAQ-OLZOCXBDSA-N 0 3 308.426 2.387 50 0 DEAAHN Cn1nnnc1SCCNCc1ccc(Cl)c(Cl)c1 ZINC000004998034 401728231 /nfs/dbraw/zinc/72/82/31/401728231.db2.gz HJLUYYRIPVBDGF-UHFFFAOYSA-N 0 3 318.233 2.399 50 0 DEAAHN C[C@@H](O)CN1CCN(Cc2ccc(F)c3cccnc23)C[C@@H]1C ZINC000071864508 401688624 /nfs/dbraw/zinc/68/86/24/401688624.db2.gz BZKVNKBTUICIPW-UONOGXRCSA-N 0 3 317.408 2.261 50 0 DEAAHN CCOC(=O)C1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000000176360 401688922 /nfs/dbraw/zinc/68/89/22/401688922.db2.gz ZFXOCVXZSYMFFE-UHFFFAOYSA-N 0 3 304.390 2.290 50 0 DEAAHN C[C@H]([C@H](C)NCC(=O)N(C)Cc1ccsc1)n1cccn1 ZINC000072269765 401704685 /nfs/dbraw/zinc/70/46/85/401704685.db2.gz PUFDECPXYUAXHS-QWHCGFSZSA-N 0 3 306.435 2.142 50 0 DEAAHN CC1(C)C[C@](O)(CCNCc2ccc3c(c2)OCO3)CCO1 ZINC000002328202 401713115 /nfs/dbraw/zinc/71/31/15/401713115.db2.gz BQDQPAZSZCXSJY-KRWDZBQOSA-N 0 3 307.390 2.215 50 0 DEAAHN COc1ccc([C@H](CNC(=O)c2c(C)noc2C)N(C)C)cc1 ZINC000014119344 401806987 /nfs/dbraw/zinc/80/69/87/401806987.db2.gz NSCXPRTVFKEJLV-HNNXBMFYSA-N 0 3 317.389 2.333 50 0 DEAAHN CC(C)(C)n1cc(CNC[C@H]2CCCN2c2cccnn2)cn1 ZINC000075132753 401750698 /nfs/dbraw/zinc/75/06/98/401750698.db2.gz FEQVWXVBNPVVSS-OAHLLOKOSA-N 0 3 314.437 2.187 50 0 DEAAHN CCNC(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000008328516 401751813 /nfs/dbraw/zinc/75/18/13/401751813.db2.gz CFYIORFWSJOTBA-QWRGUYRKSA-N 0 3 311.813 2.171 50 0 DEAAHN O=C(CN1CCC[C@@H]1Cc1ccccc1)NCc1cccnc1 ZINC000075137027 401751777 /nfs/dbraw/zinc/75/17/77/401751777.db2.gz AUEYMVLBMJKYGS-GOSISDBHSA-N 0 3 309.413 2.405 50 0 DEAAHN CCNC(=O)[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000008328515 401751928 /nfs/dbraw/zinc/75/19/28/401751928.db2.gz CFYIORFWSJOTBA-WDEREUQCSA-N 0 3 311.813 2.171 50 0 DEAAHN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCCN(C)C ZINC000008390246 401752418 /nfs/dbraw/zinc/75/24/18/401752418.db2.gz IPJBQQITKDNSAQ-UHFFFAOYSA-N 0 3 315.421 2.181 50 0 DEAAHN O=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000008573243 401753862 /nfs/dbraw/zinc/75/38/62/401753862.db2.gz BEEHJXFUYQZTJR-KRWDZBQOSA-N 0 3 320.408 2.333 50 0 DEAAHN CC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccc(C)cc1 ZINC000077302077 401809380 /nfs/dbraw/zinc/80/93/80/401809380.db2.gz NLWVGAGUGNAUBD-RBUKOAKNSA-N 0 3 309.413 2.494 50 0 DEAAHN COc1c2c(cc3c1[C@H](Cc1cc(C)[nH]n1)N(C)CC3)OCO2 ZINC000008973478 401758322 /nfs/dbraw/zinc/75/83/22/401758322.db2.gz KIEVUGOFGKRRET-ZDUSSCGKSA-N 0 3 315.373 2.227 50 0 biogenic DEAAHN COc1c2c(cc3c1[C@H](Cc1cc(C)n[nH]1)N(C)CC3)OCO2 ZINC000008973478 401758323 /nfs/dbraw/zinc/75/83/23/401758323.db2.gz KIEVUGOFGKRRET-ZDUSSCGKSA-N 0 3 315.373 2.227 50 0 biogenic DEAAHN CN(C[C@@H](c1cccs1)N1CCOCC1)C[C@@H]1CCCO1 ZINC000075603729 401764139 /nfs/dbraw/zinc/76/41/39/401764139.db2.gz NVIGZZYRBSCWAG-GJZGRUSLSA-N 0 3 310.463 2.232 50 0 DEAAHN O=C(CCN1CCSC[C@@H]1c1ccccc1)N1CCOCC1 ZINC000075613214 401765051 /nfs/dbraw/zinc/76/50/51/401765051.db2.gz DSWFATHUODZGNH-MRXNPFEDSA-N 0 3 320.458 2.025 50 0 DEAAHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000010544097 401771094 /nfs/dbraw/zinc/77/10/94/401771094.db2.gz BQZOCICZIMYZGT-HOTGVXAUSA-N 0 3 324.490 2.474 50 0 DEAAHN CC(C)(CO)CN[C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012318650 401783381 /nfs/dbraw/zinc/78/33/81/401783381.db2.gz RQEMJGLHOCLYHK-CQSZACIVSA-N 0 3 300.406 2.253 50 0 DEAAHN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1CCN(C)CC1 ZINC000012380613 401784724 /nfs/dbraw/zinc/78/47/24/401784724.db2.gz RFQSYSFXZYXYPG-JTQLQIEISA-N 0 3 314.788 2.457 50 0 DEAAHN CCCc1noc(CN2CCC(N3CCSCC3)CC2)n1 ZINC000012702415 401790341 /nfs/dbraw/zinc/79/03/41/401790341.db2.gz ZHNDNCOVGAEUNQ-UHFFFAOYSA-N 0 3 310.467 2.035 50 0 DEAAHN CCOC(=O)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000012895931 401793315 /nfs/dbraw/zinc/79/33/15/401793315.db2.gz HFDXZTCCLWNMBB-HNNXBMFYSA-N 0 3 307.390 2.089 50 0 DEAAHN C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012999261 401795531 /nfs/dbraw/zinc/79/55/31/401795531.db2.gz VEHBORBQHMXYCI-SJCJKPOMSA-N 0 3 323.396 2.390 50 0 DEAAHN CSCC[C@H](N)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000077407872 401814421 /nfs/dbraw/zinc/81/44/21/401814421.db2.gz KSIDORXTPMXQBU-INIZCTEOSA-N 0 3 322.474 2.445 50 0 DEAAHN CC(C)CN1CCN(Cc2cc(CN(C)C)cs2)[C@@H](C)C1=O ZINC000077438593 401815385 /nfs/dbraw/zinc/81/53/85/401815385.db2.gz DJJOVQZLJGFAPV-AWEZNQCLSA-N 0 3 323.506 2.498 50 0 DEAAHN O=C(NC1CC1)[C@@H](NC[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000084519369 401906263 /nfs/dbraw/zinc/90/62/63/401906263.db2.gz PKWDMPYYTJIQRQ-WBVHZDCISA-N 0 3 324.428 2.370 50 0 DEAAHN Cc1cc(C)n(-c2ccccc2CNC(=O)CN(C)C(C)C)n1 ZINC000089595806 401953503 /nfs/dbraw/zinc/95/35/03/401953503.db2.gz BKECZZWCYDXHGB-UHFFFAOYSA-N 0 3 314.433 2.446 50 0 DEAAHN CC(C)C(=O)N1CCC(NCc2cccc3c2OCO3)CC1 ZINC000047701273 401987882 /nfs/dbraw/zinc/98/78/82/401987882.db2.gz SSCOCHZJBDIXDG-UHFFFAOYSA-N 0 3 304.390 2.152 50 0 DEAAHN CCN1CCC(NC(=O)NCCc2cccc(OC)c2)CC1 ZINC000047978706 401991891 /nfs/dbraw/zinc/99/18/91/401991891.db2.gz XBDQEXFCIAABFE-UHFFFAOYSA-N 0 3 305.422 2.021 50 0 DEAAHN CC(C)[C@@H](CNc1ncnc2ccccc21)N1CCN(C)CC1 ZINC000044406525 401942471 /nfs/dbraw/zinc/94/24/71/401942471.db2.gz CDWDQDMWNBWORC-QGZVFWFLSA-N 0 3 313.449 2.314 50 0 DEAAHN CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccco1 ZINC000044869026 401948529 /nfs/dbraw/zinc/94/85/29/401948529.db2.gz DGQDSAMNJAYMBZ-CQSZACIVSA-N 0 3 319.357 2.018 50 0 DEAAHN O=C(C1CC1)N1CCCN(CCc2ccc3c(c2)CCO3)CC1 ZINC000121261302 402024054 /nfs/dbraw/zinc/02/40/54/402024054.db2.gz HBYNTWHWPVQHDC-UHFFFAOYSA-N 0 3 314.429 2.108 50 0 DEAAHN COc1ccc2c(ccn(C[C@@H]3CCCN(C)C3)c2=O)c1OC ZINC000095366948 402028518 /nfs/dbraw/zinc/02/85/18/402028518.db2.gz UQNASRQLOCPXJK-CYBMUJFWSA-N 0 3 316.401 2.361 50 0 DEAAHN O=C(Nc1ccc(-c2nc3c([nH]2)CNCC3)cc1)N1CCCC1 ZINC000095377739 402029534 /nfs/dbraw/zinc/02/95/34/402029534.db2.gz LMSCNAQOZOGIIF-UHFFFAOYSA-N 0 3 311.389 2.350 50 0 DEAAHN CN1C[C@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1 ZINC000095387668 402031773 /nfs/dbraw/zinc/03/17/73/402031773.db2.gz NRLBWNSJIVJOTB-MRXNPFEDSA-N 0 3 322.474 2.148 50 0 DEAAHN CC(=O)N1CCCN(C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095507388 402033739 /nfs/dbraw/zinc/03/37/39/402033739.db2.gz VSACXLDCHYXEOB-INIZCTEOSA-N 0 3 302.418 2.182 50 0 DEAAHN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CCOC2)CC1 ZINC000095967704 402038359 /nfs/dbraw/zinc/03/83/59/402038359.db2.gz BJFQCHTWHAXRMT-HOCLYGCPSA-N 0 3 321.440 2.407 50 0 DEAAHN C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000095996182 402044702 /nfs/dbraw/zinc/04/47/02/402044702.db2.gz BIKJUCAUJCZUFJ-IAGOWNOFSA-N 0 3 324.513 2.092 50 0 DEAAHN C[C@@H](CCO)NCc1cc(Br)cc2c1OCC2 ZINC000096009287 402046386 /nfs/dbraw/zinc/04/63/86/402046386.db2.gz PFZOWUUUGOGKOP-VIFPVBQESA-N 0 3 300.196 2.245 50 0 DEAAHN CN(C)CCNC(=S)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000053534189 402057680 /nfs/dbraw/zinc/05/76/80/402057680.db2.gz SFKQWYQOCRUQMO-CYBMUJFWSA-N 0 3 311.426 2.065 50 0 DEAAHN CN1CCCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 ZINC000096402263 402078029 /nfs/dbraw/zinc/07/80/29/402078029.db2.gz KTMLSZUWWLFIKB-UHFFFAOYSA-N 0 3 324.428 2.269 50 0 DEAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)OCO2 ZINC000055400698 402081254 /nfs/dbraw/zinc/08/12/54/402081254.db2.gz UGQVJTIKUXFGOB-CHWSQXEVSA-N 0 3 304.390 2.266 50 0 DEAAHN O=C(CN1CCC[C@@H]1CCCO)NC1(c2ccccc2)CCC1 ZINC000096424251 402083318 /nfs/dbraw/zinc/08/33/18/402083318.db2.gz FBOKSFODYIRDMA-QGZVFWFLSA-N 0 3 316.445 2.419 50 0 DEAAHN CC(C)N1CCCC[C@H]1C(=O)NCC[C@H](O)c1ccccc1 ZINC000096449132 402089608 /nfs/dbraw/zinc/08/96/08/402089608.db2.gz WJRIWKRRJLTMCG-IRXDYDNUSA-N 0 3 304.434 2.489 50 0 DEAAHN Cc1noc(C)c1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000056890609 402091585 /nfs/dbraw/zinc/09/15/85/402091585.db2.gz XECURQXGWWAKRW-UHFFFAOYSA-N 0 3 317.389 2.162 50 0 DEAAHN O=C(c1ccc(NC2CC2)nc1)N1CCN(c2ccncc2)CC1 ZINC000057192225 402093391 /nfs/dbraw/zinc/09/33/91/402093391.db2.gz JZEFDPZTEFLUGT-UHFFFAOYSA-N 0 3 323.400 2.013 50 0 DEAAHN CCc1ccc([C@H](N[C@H](C)C(=O)NC(=O)NC)C(C)C)cc1 ZINC000057593927 402095539 /nfs/dbraw/zinc/09/55/39/402095539.db2.gz KOYRWHSUFQKNHT-IUODEOHRSA-N 0 3 305.422 2.380 50 0 DEAAHN Cc1cnc([C@H](C)CNC(=O)NC[C@H]2CCCN(C)C2)s1 ZINC000097110248 402109025 /nfs/dbraw/zinc/10/90/25/402109025.db2.gz FXALFNHBFRTDIY-DGCLKSJQSA-N 0 3 310.467 2.196 50 0 DEAAHN Cc1ccnc(NC[C@@H]2CCN(Cc3ccc(C(N)=O)cc3)C2)c1 ZINC000097200727 402116062 /nfs/dbraw/zinc/11/60/62/402116062.db2.gz LYZRJCRCPUYJOZ-INIZCTEOSA-N 0 3 324.428 2.423 50 0 DEAAHN CC[C@@H](C)[C@H](C)N(CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 ZINC000065568682 402126259 /nfs/dbraw/zinc/12/62/59/402126259.db2.gz KPSUZVMICQKBSN-KGLIPLIRSA-N 0 3 323.481 2.013 50 0 DEAAHN O=C(c1cnc2c(c1)CCCC2)N1CCN(c2ccncc2)CC1 ZINC000097642410 402129064 /nfs/dbraw/zinc/12/90/64/402129064.db2.gz YSJCZZHSISUEST-UHFFFAOYSA-N 0 3 322.412 2.318 50 0 DEAAHN O[C@@H]1COC2(C1)CCN(Cc1ccc(OC(F)F)cc1)CC2 ZINC000097717064 402131178 /nfs/dbraw/zinc/13/11/78/402131178.db2.gz BYZBJXBCOQMTIN-ZDUSSCGKSA-N 0 3 313.344 2.404 50 0 DEAAHN O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCN1CCCCC1 ZINC000100587387 402141735 /nfs/dbraw/zinc/14/17/35/402141735.db2.gz MCJUKPTXPPKVLZ-KBPBESRZSA-N 0 3 310.825 2.380 50 0 DEAAHN O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000100025519 402139378 /nfs/dbraw/zinc/13/93/78/402139378.db2.gz XRDKPXBXIRFDDH-HDICACEKSA-N 0 3 320.392 2.304 50 0 DEAAHN CNC(=O)[C@H](Cc1ccccc1)NC[C@@H]1CCOc2ccccc21 ZINC000097371689 402123077 /nfs/dbraw/zinc/12/30/77/402123077.db2.gz ZZMGUKYIOKTZES-WMZOPIPTSA-N 0 3 324.424 2.500 50 0 DEAAHN CCc1c(C)nn(Cc2nc(CC3CCN(C)CC3)no2)c1C ZINC000067921000 402178692 /nfs/dbraw/zinc/17/86/92/402178692.db2.gz BJBXAZRZQHKGAE-UHFFFAOYSA-N 0 3 317.437 2.378 50 0 DEAAHN Cc1noc(C)c1CNC(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000067955488 402180532 /nfs/dbraw/zinc/18/05/32/402180532.db2.gz SXAGDDWTWZDVHA-AWEZNQCLSA-N 0 3 317.389 2.413 50 0 DEAAHN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000103447439 402188420 /nfs/dbraw/zinc/18/84/20/402188420.db2.gz FKRQMCOSLYAQKU-IJLUTSLNSA-N 0 3 316.405 2.161 50 0 DEAAHN Cc1cc(N2CCN(CC3CC3)CC2)nc(-c2ccccn2)n1 ZINC000068668720 402203843 /nfs/dbraw/zinc/20/38/43/402203843.db2.gz AFGKQULGXWNFNI-UHFFFAOYSA-N 0 3 309.417 2.379 50 0 DEAAHN Cc1cccc(S(=O)(=O)N2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000067514176 402161895 /nfs/dbraw/zinc/16/18/95/402161895.db2.gz QCPJSMIEFYRRNM-MRXNPFEDSA-N 0 3 308.447 2.101 50 0 DEAAHN c1cncc(CNc2nc(-c3ccncc3)nc3c2CCNC3)c1 ZINC000067562722 402162769 /nfs/dbraw/zinc/16/27/69/402162769.db2.gz WMALERKSHGLSFL-UHFFFAOYSA-N 0 3 318.384 2.191 50 0 DEAAHN O=C(NC[C@H]1CCN(C/C=C/c2ccccc2)C1)c1cncnc1 ZINC000067713302 402169851 /nfs/dbraw/zinc/16/98/51/402169851.db2.gz CAYPSNKTZJDSCQ-BBOMDTFKSA-N 0 3 322.412 2.242 50 0 DEAAHN Cc1cnn(C[C@@H](C)NCc2cn(C)nc2-c2ccncc2)c1 ZINC000069490081 402226611 /nfs/dbraw/zinc/22/66/11/402226611.db2.gz SFYIMMOYFFQHOM-CQSZACIVSA-N 0 3 310.405 2.165 50 0 DEAAHN Cc1ccc([C@@H](CNC(=O)Nc2ccn(C)n2)N(C)C)cc1 ZINC000069528161 402229565 /nfs/dbraw/zinc/22/95/65/402229565.db2.gz UGQHVXSKVOLPIB-CQSZACIVSA-N 0 3 301.394 2.153 50 0 DEAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc2c1OCO2 ZINC000069538715 402230433 /nfs/dbraw/zinc/23/04/33/402230433.db2.gz YADORGGIZWKVLY-KGLIPLIRSA-N 0 3 302.374 2.114 50 0 DEAAHN CC[C@H](N[C@H](C)[C@@H](C)n1cccn1)C(=O)Nc1cc(C)on1 ZINC000069592214 402233335 /nfs/dbraw/zinc/23/33/35/402233335.db2.gz SREOEYSOSYDTQA-UPJWGTAASA-N 0 3 305.382 2.136 50 0 DEAAHN CCc1nc2n(n1)C[C@@H](NCc1ccc(-n3ccnc3)cc1)CC2 ZINC000069652277 402236446 /nfs/dbraw/zinc/23/64/46/402236446.db2.gz BCUBDJJORIZVKR-HNNXBMFYSA-N 0 3 322.416 2.131 50 0 DEAAHN COc1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1OC ZINC000069697166 402238367 /nfs/dbraw/zinc/23/83/67/402238367.db2.gz PCMJWZKFFKLIDP-CABCVRRESA-N 0 3 318.417 2.403 50 0 DEAAHN CN(C(=O)CSc1nccn1C(C)(C)C)C1CCN(C)CC1 ZINC000069809442 402244657 /nfs/dbraw/zinc/24/46/57/402244657.db2.gz IAZHUQQXSDENDH-UHFFFAOYSA-N 0 3 324.494 2.283 50 0 DEAAHN COc1ccc(OCCC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000069917477 402250463 /nfs/dbraw/zinc/25/04/63/402250463.db2.gz QCPUTLHYLBUEIN-CQSZACIVSA-N 0 3 306.406 2.017 50 0 DEAAHN CC1CCN(C(=O)CN2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000069078810 402212919 /nfs/dbraw/zinc/21/29/19/402212919.db2.gz YTDBLFMWUZZKSG-QGZVFWFLSA-N 0 3 307.482 2.195 50 0 DEAAHN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cncc([O-])c1 ZINC000109040589 402266607 /nfs/dbraw/zinc/26/66/07/402266607.db2.gz GOAOQOYOGNWONZ-UHFFFAOYSA-N 0 3 311.385 2.182 50 0 DEAAHN Cc1ncc(C(=O)NCCN2CCCC2)c(-c2ccccc2)n1 ZINC000215039055 402281333 /nfs/dbraw/zinc/28/13/33/402281333.db2.gz XWKZVHUQRDEEEH-UHFFFAOYSA-N 0 3 310.401 2.278 50 0 DEAAHN Cc1n[nH]cc1CNC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000071819619 402281475 /nfs/dbraw/zinc/28/14/75/402281475.db2.gz DBUWXDFZZIMJFK-GOSISDBHSA-N 0 3 314.433 2.190 50 0 DEAAHN CCc1nccc(CN2CCCO[C@@H](CN3CCCCC3)C2)n1 ZINC000215224309 402282167 /nfs/dbraw/zinc/28/21/67/402282167.db2.gz YTOCSYQNRFFRGE-KRWDZBQOSA-N 0 3 318.465 2.116 50 0 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FATIYRITTICZCJ-LJQANCHMSA-N 0 3 312.413 2.331 50 0 DEAAHN O[C@@H]1CCCC[C@@H]1N1CCN(CCc2ccc(F)cc2)CC1 ZINC000095976581 402040442 /nfs/dbraw/zinc/04/04/42/402040442.db2.gz YAZLCRWULHUPKI-ZWKOTPCHSA-N 0 3 306.425 2.289 50 0 DEAAHN c1ccc(-c2nnc3n2C[C@H](NCc2cccnc2)CC3)cc1 ZINC000096000237 402045257 /nfs/dbraw/zinc/04/52/57/402045257.db2.gz LWXCJJAWILUCLY-MRXNPFEDSA-N 0 3 305.385 2.445 50 0 DEAAHN O=C(CC1CCCC1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000096006295 402045736 /nfs/dbraw/zinc/04/57/36/402045736.db2.gz HYMHJAMCIVAMMU-GOSISDBHSA-N 0 3 316.445 2.450 50 0 DEAAHN CN(C(=O)C1=NO[C@@H](c2ccccc2)C1)C1CCN(C)CC1 ZINC000053058721 402050405 /nfs/dbraw/zinc/05/04/05/402050405.db2.gz MOSLZCDVQJEXGF-MRXNPFEDSA-N 0 3 301.390 2.057 50 0 DEAAHN COc1ccc([C@@H]2CN(CCCSC)C[C@H]2NC(C)=O)cc1 ZINC000092028932 402000018 /nfs/dbraw/zinc/00/00/18/402000018.db2.gz GZQWUVCYHISQIH-DLBZAZTESA-N 0 3 322.474 2.352 50 0 DEAAHN CCCS(=O)(=O)C(C)C(=O)NCC1(c2ccccc2)CC1 ZINC000055162945 402076380 /nfs/dbraw/zinc/07/63/80/402076380.db2.gz HAOHRTYUZGWBQE-ZDUSSCGKSA-N 0 3 309.431 2.048 50 0 DEAAHN Cn1cc(/C=C\C(=O)NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000096305198 402076739 /nfs/dbraw/zinc/07/67/39/402076739.db2.gz FRZDIYPXKQDJQJ-FPLPWBNLSA-N 0 3 324.428 2.214 50 0 DEAAHN CN(C)C[C@@H](c1ccccc1)N(C)C(=O)CCN1CCCCO1 ZINC000055307757 402079658 /nfs/dbraw/zinc/07/96/58/402079658.db2.gz WPTSUPIZIJPCGC-KRWDZBQOSA-N 0 3 319.449 2.165 50 0 DEAAHN Cc1nn(C)c(N(C)C)c1CNCc1ccccc1CN(C)C ZINC000058391806 402101080 /nfs/dbraw/zinc/10/10/80/402101080.db2.gz QGQMPEXJAKPFBC-UHFFFAOYSA-N 0 3 315.465 2.146 50 0 DEAAHN COc1ccc2cc(NC(=O)N3CCCN(C)CC3)ccc2n1 ZINC000097052048 402103608 /nfs/dbraw/zinc/10/36/08/402103608.db2.gz VWNQJCJGKQKPRP-UHFFFAOYSA-N 0 3 314.389 2.413 50 0 DEAAHN CC1([C@@H]2CCCN(C[C@H](O)c3ccccc3F)C2)OCCO1 ZINC000097086575 402106156 /nfs/dbraw/zinc/10/61/56/402106156.db2.gz BSXVUZBTKWPDCA-CJNGLKHVSA-N 0 3 309.381 2.334 50 0 DEAAHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1CCOCC1 ZINC000097142628 402110807 /nfs/dbraw/zinc/11/08/07/402110807.db2.gz PTNFNJSPAZPVQX-YOEHRIQHSA-N 0 3 302.418 2.050 50 0 DEAAHN CC(C)(CC(=O)NCCN1CCCC[C@H]1CO)c1ccccc1 ZINC000097446987 402124980 /nfs/dbraw/zinc/12/49/80/402124980.db2.gz BXRSJDOCHGKONG-KRWDZBQOSA-N 0 3 318.461 2.317 50 0 DEAAHN Cc1nn(C)c(Cl)c1CNCCc1cn2c(n1)CCCC2 ZINC000097731776 402131765 /nfs/dbraw/zinc/13/17/65/402131765.db2.gz UBCFHQKSWJUAGH-UHFFFAOYSA-N 0 3 307.829 2.247 50 0 DEAAHN CNC(=O)[C@@H](Cc1ccccc1)NC[C@@H]1CCOc2ccccc21 ZINC000097371686 402122993 /nfs/dbraw/zinc/12/29/93/402122993.db2.gz ZZMGUKYIOKTZES-FUHWJXTLSA-N 0 3 324.424 2.500 50 0 DEAAHN O=C1C2C(c3ccc(F)cc3)=NO[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101178077 402144243 /nfs/dbraw/zinc/14/42/43/402144243.db2.gz YESRZUNGJBNCHD-ZBFHGGJFSA-N 0 3 324.311 2.114 50 0 DEAAHN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000066942813 402147521 /nfs/dbraw/zinc/14/75/21/402147521.db2.gz VGHKTIBFNCXUOU-ULQDDVLXSA-N 0 3 324.465 2.047 50 0 DEAAHN CC1CCN(Cc2cc(=O)n3nc(-c4ccccc4)nc3[nH]2)CC1 ZINC000101747149 402154919 /nfs/dbraw/zinc/15/49/19/402154919.db2.gz WAJWDIZFKLNKFE-UHFFFAOYSA-N 0 3 323.400 2.317 50 0 DEAAHN C=Cn1cc(CN2CC[C@@]3(C2)CCCN(C(=O)C(C)C)C3)cn1 ZINC000067935446 402178992 /nfs/dbraw/zinc/17/89/92/402178992.db2.gz GKQYBDCUKLQKEY-GOSISDBHSA-N 0 3 316.449 2.454 50 0 DEAAHN CCc1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)nc1 ZINC000067847155 402175006 /nfs/dbraw/zinc/17/50/06/402175006.db2.gz NFCCLGKPFZRNDU-MRXNPFEDSA-N 0 3 301.434 2.478 50 0 DEAAHN COC(=O)c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000069420940 402223045 /nfs/dbraw/zinc/22/30/45/402223045.db2.gz MPKGEJPNPTYXGG-INIZCTEOSA-N 0 3 316.401 2.174 50 0 DEAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2cnc(N3CCCC3)nc2)c1 ZINC000069463767 402225544 /nfs/dbraw/zinc/22/55/44/402225544.db2.gz LUXKYSZNDKPHBF-HUUCEWRRSA-N 0 3 314.437 2.321 50 0 DEAAHN CN1CCN(C[C@@H](O)COc2ccccc2)Cc2ccccc21 ZINC000107350366 402230916 /nfs/dbraw/zinc/23/09/16/402230916.db2.gz FDSMGBLMOLAPQM-QGZVFWFLSA-N 0 3 312.413 2.378 50 0 DEAAHN CCc1nc2n(n1)C[C@@H](NCc1ccc(-n3cccn3)cc1)CC2 ZINC000069621192 402234611 /nfs/dbraw/zinc/23/46/11/402234611.db2.gz PFTIRERILGZSOB-HNNXBMFYSA-N 0 3 322.416 2.131 50 0 DEAAHN Cc1nc2n(n1)C[C@@H](NCc1c[nH]nc1-c1cccc(C)c1)CC2 ZINC000069772996 402243260 /nfs/dbraw/zinc/24/32/60/402243260.db2.gz KJYOIIKXSWCENW-INIZCTEOSA-N 0 3 322.416 2.390 50 0 DEAAHN Cc1cccn2cc(CC(=O)NCCN3CCC[C@H](C)C3)nc12 ZINC000069814921 402245962 /nfs/dbraw/zinc/24/59/62/402245962.db2.gz FQMSNBSJVRUWHM-AWEZNQCLSA-N 0 3 314.433 2.033 50 0 DEAAHN CC(C)(C)[C@H](O)CN1CCN(CCOc2cccc(F)c2)CC1 ZINC000069878381 402248794 /nfs/dbraw/zinc/24/87/94/402248794.db2.gz WWNAYXGTTBVBSN-QGZVFWFLSA-N 0 3 324.440 2.229 50 0 DEAAHN CC(C)Oc1ncccc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000108504783 402255428 /nfs/dbraw/zinc/25/54/28/402255428.db2.gz MCPZVHWITQXAMK-CYBMUJFWSA-N 0 3 306.410 2.332 50 0 DEAAHN COc1ccccc1[C@H]1CCCN1CCC(=O)N1CCOCC1 ZINC000069084945 402212902 /nfs/dbraw/zinc/21/29/02/402212902.db2.gz TUPDOWVTHRFYHF-MRXNPFEDSA-N 0 3 318.417 2.081 50 0 DEAAHN COc1ccccc1[C@H](O)CNCc1cccc2c1OCO2 ZINC000071819630 402281433 /nfs/dbraw/zinc/28/14/33/402281433.db2.gz QCZOZIVPEIVRTG-CQSZACIVSA-N 0 3 301.342 2.247 50 0 DEAAHN Cc1cc(C(=O)N2CCC(N3CCSCC3)CC2)cc(C)n1 ZINC000215253454 402282446 /nfs/dbraw/zinc/28/24/46/402282446.db2.gz JRYDGNQYZKCBQP-UHFFFAOYSA-N 0 3 319.474 2.352 50 0 DEAAHN COc1cc(CNC[C@H](O)c2ccccc2)cc2c1OCCO2 ZINC000071831311 402285526 /nfs/dbraw/zinc/28/55/26/402285526.db2.gz SVPZCHZSURNKCS-HNNXBMFYSA-N 0 3 315.369 2.290 50 0 DEAAHN Cc1cc(C)n(-c2cccc(CN(C)C[C@@H]3COCCO3)c2)n1 ZINC000216234428 402287973 /nfs/dbraw/zinc/28/79/73/402287973.db2.gz NJQAKLJTZQRDHZ-GOSISDBHSA-N 0 3 315.417 2.336 50 0 DEAAHN O=C(c1ccnnc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000216425841 402288830 /nfs/dbraw/zinc/28/88/30/402288830.db2.gz SNEVYDAEIRTCPM-UHFFFAOYSA-N 0 3 322.412 2.140 50 0 DEAAHN Cc1ccnc(NC[C@@H]2CCN([C@@H](C(N)=O)c3ccccc3)C2)c1 ZINC000222203532 402306401 /nfs/dbraw/zinc/30/64/01/402306401.db2.gz WYDKAFOPTKHFRF-MAUKXSAKSA-N 0 3 324.428 2.350 50 0 DEAAHN CN1CCCC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000230134011 402348206 /nfs/dbraw/zinc/34/82/06/402348206.db2.gz GCMBYKVKSKHGDD-LSDHHAIUSA-N 0 3 321.490 2.486 50 0 DEAAHN COc1ccc(OC)c(CN2CCC(C3OCCO3)CC2)c1 ZINC000171239417 402570104 /nfs/dbraw/zinc/57/01/04/402570104.db2.gz YAIYRSVYBYWNHI-UHFFFAOYSA-N 0 3 307.390 2.289 50 0 DEAAHN Cc1ccc(NC(=O)CN2C[C@@H]3CCCCN3C[C@H]2C)cc1 ZINC000252506050 402657223 /nfs/dbraw/zinc/65/72/23/402657223.db2.gz OOBGSUUFOYGRKF-WBVHZDCISA-N 0 3 301.434 2.492 50 0 DEAAHN C[C@@H]1C[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)CN1Cc1ccccc1 ZINC000253419959 402665355 /nfs/dbraw/zinc/66/53/55/402665355.db2.gz AUCMNQMYXWGBSZ-BMFZPTHFSA-N 0 3 313.401 2.076 50 0 DEAAHN COC[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc(C2CC2)no1 ZINC000257176888 402700510 /nfs/dbraw/zinc/70/05/10/402700510.db2.gz AULGYRBRZBCZGZ-DZGCQCFKSA-N 0 3 314.389 2.204 50 0 DEAAHN c1ccc(OCCN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000195520688 402850557 /nfs/dbraw/zinc/85/05/57/402850557.db2.gz YVALBRYZWMJTPI-HNNXBMFYSA-N 0 3 312.417 2.483 50 0 DEAAHN O=C(C[C@@H]1CNCCO1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000269266265 403125950 /nfs/dbraw/zinc/12/59/50/403125950.db2.gz UKYBDUHMICNEEU-HUUCEWRRSA-N 0 3 322.836 2.252 50 0 DEAAHN O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000299787694 403575617 /nfs/dbraw/zinc/57/56/17/403575617.db2.gz ZQDCAMCZWWNRJH-PWSUYJOCSA-N 0 3 318.808 2.317 50 0 DEAAHN CCN(C)C(=O)[C@@H](C)NCc1cccc(-c2cnn(C)c2)c1 ZINC000373711176 404568118 /nfs/dbraw/zinc/56/81/18/404568118.db2.gz JRGXNHJCHVFHEF-CYBMUJFWSA-N 0 3 300.406 2.044 50 0 DEAAHN Cc1ccc(CN2CCC(CNC(=O)[C@H](O)C(C)C)CC2)cc1 ZINC000367250713 404981054 /nfs/dbraw/zinc/98/10/54/404981054.db2.gz LOKXUELWXVUTRJ-GOSISDBHSA-N 0 3 318.461 2.340 50 0 DEAAHN OCCn1ccc([C@H]2CCCN(CCCc3ccco3)C2)n1 ZINC000426442050 405360262 /nfs/dbraw/zinc/36/02/62/405360262.db2.gz VPALXDDBLIDHQW-HNNXBMFYSA-N 0 3 303.406 2.281 50 0 DEAAHN CCc1c(C)nn(CCNC(=O)CN(C)C2CCCC2)c1C ZINC000426487315 405363215 /nfs/dbraw/zinc/36/32/15/405363215.db2.gz ILIGZRVFCXAKTM-UHFFFAOYSA-N 0 3 306.454 2.053 50 0 DEAAHN Cc1cccnc1C[C@H](C)N(C)C(=O)NCCN1CCCCC1 ZINC000426493354 405363929 /nfs/dbraw/zinc/36/39/29/405363929.db2.gz ZNNYLWHLZLUXGK-INIZCTEOSA-N 0 3 318.465 2.448 50 0 DEAAHN Cc1nc[nH]c1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000585120906 405871866 /nfs/dbraw/zinc/87/18/66/405871866.db2.gz VPUVQMCYYDWQLO-AWEZNQCLSA-N 0 3 312.417 2.455 50 0 DEAAHN C[C@@H](Cc1ccc(Cl)cc1)N(C)CCN1C(=O)CCC1=O ZINC000132503075 196260854 /nfs/dbraw/zinc/26/08/54/196260854.db2.gz SZEZYKBXCUCFAK-LBPRGKRZSA-N 0 3 308.809 2.352 50 0 DEAAHN Cc1cc(NC(=O)[C@H]2CCCCC(=O)N2)ccc1CN(C)C ZINC000408520064 227239465 /nfs/dbraw/zinc/23/94/65/227239465.db2.gz WRGJAYYZEPQXOJ-OAHLLOKOSA-N 0 3 303.406 2.054 50 0 DEAAHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(C)S(C)(=O)=O ZINC000044687933 424813521 /nfs/dbraw/zinc/81/35/21/424813521.db2.gz HPUXEIHYYJQGCY-ZYHUDNBSSA-N 0 3 313.419 2.151 50 0 DEAAHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1ccnc1 ZINC000044976150 424815502 /nfs/dbraw/zinc/81/55/02/424815502.db2.gz LSQVNSJYJWQVEZ-HNNXBMFYSA-N 0 3 312.417 2.225 50 0 DEAAHN COc1ccc([C@H](O)CNCc2cnn(C(C)(C)C)c2)cc1 ZINC000048710182 424834946 /nfs/dbraw/zinc/83/49/46/424834946.db2.gz OZPLNEROAGZMGP-MRXNPFEDSA-N 0 3 303.406 2.470 50 0 DEAAHN COc1ccc([C@H](CO)CN[C@H]2CCCn3ccnc32)cc1 ZINC000655776002 425651441 /nfs/dbraw/zinc/65/14/41/425651441.db2.gz GGSMMTFTYLSZBG-HOCLYGCPSA-N 0 3 301.390 2.092 50 0 DEAAHN CCc1nnsc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000058282095 276707693 /nfs/dbraw/zinc/70/76/93/276707693.db2.gz HUZBJAXPEVFZSG-AWEZNQCLSA-N 0 3 318.446 2.442 50 0 DEAAHN COc1ccc([C@@H]2[C@H](N)[C@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000074941313 277427937 /nfs/dbraw/zinc/42/79/37/277427937.db2.gz QAKWCDKFQTULHZ-IXDOHACOSA-N 0 3 321.384 2.370 50 0 DEAAHN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H]1CCCc2sccc21 ZINC000090798870 278109838 /nfs/dbraw/zinc/10/98/38/278109838.db2.gz XKTTZNMWQFWGED-DGCLKSJQSA-N 0 3 314.476 2.139 50 0 DEAAHN C[C@H](Cn1cc(Br)cn1)N[C@H](CO)c1ccccc1 ZINC000095968088 278221405 /nfs/dbraw/zinc/22/14/05/278221405.db2.gz FQMRMDHIACMADC-BXUZGUMPSA-N 0 3 324.222 2.357 50 0 DEAAHN C[C@@H]1SCCN(C[C@@H](O)Cn2cccn2)[C@H]1c1ccccc1 ZINC000246265570 279072605 /nfs/dbraw/zinc/07/26/05/279072605.db2.gz ANKWNLOVISWQIF-USXIJHARSA-N 0 3 317.458 2.423 50 0 DEAAHN Cc1cc(F)ccc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000084093849 280533956 /nfs/dbraw/zinc/53/39/56/280533956.db2.gz RLDAHNZJDOMWIQ-UHFFFAOYSA-N 0 3 321.377 2.174 50 0 DEAAHN CN(C)[C@H](CNS(=O)(=O)C1=Cc2ccccc2CC1)C1CC1 ZINC000040156739 331681042 /nfs/dbraw/zinc/68/10/42/331681042.db2.gz WLBAWJGXQRIBIC-QGZVFWFLSA-N 0 3 320.458 2.233 50 0 DEAAHN CCCC[C@H](NC(=O)CN1CCCN(C)CC1)c1cccnc1 ZINC000534660461 334313373 /nfs/dbraw/zinc/31/33/73/334313373.db2.gz GKKIPVOXUPUZEU-KRWDZBQOSA-N 0 3 318.465 2.067 50 0 DEAAHN Cc1c[nH]c(CN(C)C(=O)NCc2cccc(CN(C)C)c2)n1 ZINC000534656583 334314140 /nfs/dbraw/zinc/31/41/40/334314140.db2.gz 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COCCN1CC[C@H](NC(=O)N[C@@H](C)CCc2ccccc2)C1 ZINC000072290856 191108000 /nfs/dbraw/zinc/10/80/00/191108000.db2.gz GSHSNTLKQWCKCA-RDJZCZTQSA-N 0 3 319.449 2.028 50 0 DEAAHN CS[C@H]1CC[C@@H](N(C)Cc2cc(=O)n3ccccc3n2)C1 ZINC000072794520 191229587 /nfs/dbraw/zinc/22/95/87/191229587.db2.gz PWGFNXILOHDUAY-KGLIPLIRSA-N 0 3 303.431 2.410 50 0 DEAAHN Cc1cc(C)c(NC(=O)CN2CCN3CCC[C@H]3C2)c(C)c1 ZINC000022032720 354052186 /nfs/dbraw/zinc/05/21/86/354052186.db2.gz KKZQEWGFDVXFFS-INIZCTEOSA-N 0 3 301.434 2.330 50 0 DEAAHN CCCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000061648958 354629753 /nfs/dbraw/zinc/62/97/53/354629753.db2.gz GACSVNMHFVFEFH-DLBZAZTESA-N 0 3 302.418 2.232 50 0 DEAAHN CCc1nnc(NC(=O)C2Oc3ccccc3O[C@H]2C)s1 ZINC000004858602 181164631 /nfs/dbraw/zinc/16/46/31/181164631.db2.gz IQLVLROGVWUFAO-UFBFGSQYSA-N 0 3 305.359 2.268 50 0 DEAAHN CN(C)c1cccc([C@@H]2CCCN2CCN2CCOC2=O)c1 ZINC000075838496 355109560 /nfs/dbraw/zinc/10/95/60/355109560.db2.gz QMIVGWBVZLLESU-INIZCTEOSA-N 0 3 303.406 2.342 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CN(C[C@H](O)c1ccc(F)cc1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000095987243 402043163 /nfs/dbraw/zinc/04/31/63/402043163.db2.gz SZCOEVZDTCITKO-SQNIBIBYSA-N 0 3 301.361 2.449 50 0 DEAAHN CC(C)N1CCc2c(nc3cc([C@H]4CCCC[NH2+]4)[n-]n3c2=O)C1 ZINC000048623046 402004290 /nfs/dbraw/zinc/00/42/90/402004290.db2.gz FYVRRBFEMDYUKR-CYBMUJFWSA-N 0 3 315.421 2.016 50 0 DEAAHN CN(C(=O)/C=C\c1ccc2c(c1)CCO2)C1CCN(C)CC1 ZINC000096405174 402078096 /nfs/dbraw/zinc/07/80/96/402078096.db2.gz LNFFTOLZKNWTJB-XQRVVYSFSA-N 0 3 300.402 2.187 50 0 DEAAHN CCOC(=O)c1ccc(CN[C@@H]2CCc3nc(C)cn3C2)o1 ZINC000097034403 402100784 /nfs/dbraw/zinc/10/07/84/402100784.db2.gz FVGBXYIRKZGVEQ-GFCCVEGCSA-N 0 3 303.362 2.066 50 0 DEAAHN COc1c(CNC2CCN(c3ccccc3)CC2)c(C)nn1C ZINC000058428059 402101043 /nfs/dbraw/zinc/10/10/43/402101043.db2.gz MREKACRQBYKKLC-UHFFFAOYSA-N 0 3 314.433 2.496 50 0 DEAAHN CC(C)(C)[C@@H](NCCc1cccc(Br)c1)C(N)=O ZINC000097162404 402112671 /nfs/dbraw/zinc/11/26/71/402112671.db2.gz BEPJNRZAAOGTDL-LBPRGKRZSA-N 0 3 313.239 2.481 50 0 DEAAHN O=C(CCCc1cn[nH]c1)N1CCN(C2CCCCC2)CC1 ZINC000097173072 402114180 /nfs/dbraw/zinc/11/41/80/402114180.db2.gz YFDSEKYNFODVRD-UHFFFAOYSA-N 0 3 304.438 2.209 50 0 DEAAHN Cc1nc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)sc1C ZINC000097234403 402119404 /nfs/dbraw/zinc/11/94/04/402119404.db2.gz MNFRNGDZSULPHI-ZIAGYGMSSA-N 0 3 322.478 2.386 50 0 DEAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cn[nH]c1 ZINC000065423952 402124892 /nfs/dbraw/zinc/12/48/92/402124892.db2.gz IJPVBVXWMRTZLK-GFCCVEGCSA-N 0 3 305.407 2.430 50 0 DEAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)nc1 ZINC000153359605 402141072 /nfs/dbraw/zinc/14/10/72/402141072.db2.gz PQXWWPVBIANWEL-UHFFFAOYSA-N 0 3 313.401 2.300 50 0 DEAAHN COc1cccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[O-] ZINC000097667670 402129371 /nfs/dbraw/zinc/12/93/71/402129371.db2.gz QWEXALFXQVKOHB-QWHCGFSZSA-N 0 3 306.406 2.251 50 0 DEAAHN COc1cccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1[O-] ZINC000097667670 402129373 /nfs/dbraw/zinc/12/93/73/402129373.db2.gz QWEXALFXQVKOHB-QWHCGFSZSA-N 0 3 306.406 2.251 50 0 DEAAHN CC(C)OCCN1CCC(NC(=O)N2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000123656145 402140462 /nfs/dbraw/zinc/14/04/62/402140462.db2.gz PQUQYNPUGCKJRY-HZPDHXFCSA-N 0 3 323.481 2.317 50 0 DEAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1-c1ncc[nH]1)C2 ZINC000067673319 402167350 /nfs/dbraw/zinc/16/73/50/402167350.db2.gz ABZOYAGNSFOFJZ-UONOGXRCSA-N 0 3 310.401 2.385 50 0 DEAAHN CCc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)nc1 ZINC000067847154 402175127 /nfs/dbraw/zinc/17/51/27/402175127.db2.gz NFCCLGKPFZRNDU-INIZCTEOSA-N 0 3 301.434 2.478 50 0 DEAAHN Cc1nc(C[C@H]2CNCCO2)n(-c2ccc(Cl)cc2C)n1 ZINC000067869058 402176741 /nfs/dbraw/zinc/17/67/41/402176741.db2.gz VESAPUKVDFQBKU-ZDUSSCGKSA-N 0 3 306.797 2.068 50 0 DEAAHN C[C@H](CNC(=O)[C@@H](C)NC(=O)CC1CCCCC1)N1CCCC1 ZINC000069530594 402229171 /nfs/dbraw/zinc/22/91/71/402229171.db2.gz NEUCTXQGLSEBNE-HUUCEWRRSA-N 0 3 323.481 2.062 50 0 DEAAHN O[C@@H](CN1CCC[C@H]1Cn1cccn1)c1ccc(F)cc1F ZINC000069770012 402242889 /nfs/dbraw/zinc/24/28/89/402242889.db2.gz RJIDLMCCRJFXSY-BBRMVZONSA-N 0 3 307.344 2.359 50 0 DEAAHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC000069778377 402243595 /nfs/dbraw/zinc/24/35/95/402243595.db2.gz QQGYEYRJPKVMQA-OAHLLOKOSA-N 0 3 317.477 2.307 50 0 DEAAHN Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C ZINC000069808142 402244974 /nfs/dbraw/zinc/24/49/74/402244974.db2.gz UOSHLWYPZBHJMI-TUKIKUTGSA-N 0 3 305.422 2.480 50 0 DEAAHN Cc1nc(C)n(C[C@H]2CCCN(Cc3c(C)noc3C)C2)n1 ZINC000069815282 402245810 /nfs/dbraw/zinc/24/58/10/402245810.db2.gz JFJLUCNJKHFBDS-HNNXBMFYSA-N 0 3 303.410 2.412 50 0 DEAAHN CS[C@@H](C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000069893566 402249679 /nfs/dbraw/zinc/24/96/79/402249679.db2.gz FYLABFSQSMEYMC-ZDUSSCGKSA-N 0 3 322.474 2.011 50 0 DEAAHN Cc1cnn(CCNCC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000070017309 402255760 /nfs/dbraw/zinc/25/57/60/402255760.db2.gz WRERNDMFHWMKLV-HNNXBMFYSA-N 0 3 300.406 2.001 50 0 DEAAHN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000229780676 402344944 /nfs/dbraw/zinc/34/49/44/402344944.db2.gz VGHKTIBFNCXUOU-GVDBMIGSSA-N 0 3 324.465 2.047 50 0 DEAAHN C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccccc1Cl ZINC000252670724 402660470 /nfs/dbraw/zinc/66/04/70/402660470.db2.gz LNPAYTCEBZSCFF-SMDDNHRTSA-N 0 3 316.854 2.100 50 0 DEAAHN C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccccc1Cl ZINC000252670723 402660834 /nfs/dbraw/zinc/66/08/34/402660834.db2.gz LNPAYTCEBZSCFF-BXUZGUMPSA-N 0 3 316.854 2.100 50 0 DEAAHN C[C@@H]1CN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)C[C@@H](C)N1 ZINC000255205185 402681616 /nfs/dbraw/zinc/68/16/16/402681616.db2.gz VHQNSNVRCKGHJT-OVUXIIJLSA-N 0 3 310.401 2.094 50 0 DEAAHN C[C@@H]1C[C@H](NC(=O)Nc2ccncn2)CN1Cc1ccccc1 ZINC000194051576 402782689 /nfs/dbraw/zinc/78/26/89/402782689.db2.gz VMGJNFNQANOUPK-HIFRSBDPSA-N 0 3 311.389 2.261 50 0 DEAAHN CC(=O)N1CCC(CNCc2ccnn2-c2ccccc2)CC1 ZINC000279180883 402913030 /nfs/dbraw/zinc/91/30/30/402913030.db2.gz RWDFUAPZHRBDDW-UHFFFAOYSA-N 0 3 312.417 2.220 50 0 DEAAHN Cc1cccc2[nH]c(CCNC(=O)CN(C)C3CCCC3)nc21 ZINC000299762278 403568274 /nfs/dbraw/zinc/56/82/74/403568274.db2.gz SXVHNMLSNUHWLW-UHFFFAOYSA-N 0 3 314.433 2.404 50 0 DEAAHN Cc1cccc2nc(CCNC(=O)CN(C)C3CCCC3)[nH]c21 ZINC000299762278 403568277 /nfs/dbraw/zinc/56/82/77/403568277.db2.gz SXVHNMLSNUHWLW-UHFFFAOYSA-N 0 3 314.433 2.404 50 0 DEAAHN O=C(c1ccc(Cl)cn1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000299788991 403575578 /nfs/dbraw/zinc/57/55/78/403575578.db2.gz UVUNQPCCGMRWHU-CQSZACIVSA-N 0 3 323.824 2.062 50 0 DEAAHN CC(=O)c1cccc(C(=O)NCC2(CN3CCCC3)CC2)c1 ZINC000299794930 403576722 /nfs/dbraw/zinc/57/67/22/403576722.db2.gz KGQOZKHHZJDNBM-UHFFFAOYSA-N 0 3 300.402 2.495 50 0 DEAAHN COCCN(C[C@@H]1CC=CCC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000342127510 404385003 /nfs/dbraw/zinc/38/50/03/404385003.db2.gz KVKNEEXJZYRXOS-CVEARBPZSA-N 0 3 315.479 2.116 50 0 DEAAHN COC(C)(C)CNC(=O)N(C)[C@@H](CN(C)C)c1ccccc1 ZINC000426376392 405355967 /nfs/dbraw/zinc/35/59/67/405355967.db2.gz OWVJYBPOQLQGDW-HNNXBMFYSA-N 0 3 307.438 2.356 50 0 DEAAHN CCN(CC)Cc1cccc(NC(=O)NCC2(CO)CC2)c1 ZINC000426652113 405372542 /nfs/dbraw/zinc/37/25/42/405372542.db2.gz VJKHXFCGHGOSRC-UHFFFAOYSA-N 0 3 305.422 2.422 50 0 DEAAHN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C[C@@H]1CSCCN1 ZINC000132976978 196300947 /nfs/dbraw/zinc/30/09/47/196300947.db2.gz ASKGGSQRWYXZJC-VNQPRFMTSA-N 0 3 304.459 2.486 50 0 DEAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)OC)c(C)c2)CC1 ZINC000056170265 424839276 /nfs/dbraw/zinc/83/92/76/424839276.db2.gz BNXXUBFNTBGUHK-CQSZACIVSA-N 0 3 305.422 2.110 50 0 DEAAHN COCCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000053421078 274026587 /nfs/dbraw/zinc/02/65/87/274026587.db2.gz WHCIDLJQFQHYMH-UHFFFAOYSA-N 0 3 303.328 2.259 50 0 DEAAHN CCNC(=O)NC(=O)[C@@H](C)N(C)CCCCc1ccccc1 ZINC000053079390 276260600 /nfs/dbraw/zinc/26/06/00/276260600.db2.gz IEDVBCXLBUUVNQ-CQSZACIVSA-N 0 3 305.422 2.175 50 0 DEAAHN COCCC1(CNC(=O)NC[C@H]2CCCN(C)C2)CCCC1 ZINC000089375297 277203014 /nfs/dbraw/zinc/20/30/14/277203014.db2.gz MMXQMOYBZCIQIK-OAHLLOKOSA-N 0 3 311.470 2.224 50 0 DEAAHN COC(=O)CCN1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095436588 277319145 /nfs/dbraw/zinc/31/91/45/277319145.db2.gz SGSPCSRJUOESEF-CHWSQXEVSA-N 0 3 317.307 2.376 50 0 DEAAHN C[C@@H]1SCCN(C[C@@H](O)Cn2cccn2)[C@@H]1c1ccccc1 ZINC000229710714 278073067 /nfs/dbraw/zinc/07/30/67/278073067.db2.gz ANKWNLOVISWQIF-UAGQMJEPSA-N 0 3 317.458 2.423 50 0 DEAAHN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H](c2ccccc2)C1 ZINC000229723199 279216081 /nfs/dbraw/zinc/21/60/81/279216081.db2.gz VBUKETIBJJZMLL-UKRRQHHQSA-N 0 3 317.433 2.489 50 0 DEAAHN C[C@H](CN1CCOCC1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000091531519 289613070 /nfs/dbraw/zinc/61/30/70/289613070.db2.gz XZEWJTNOOYIEMK-VQIMIIECSA-N 0 3 318.461 2.153 50 0 DEAAHN C[C@H](NC(=O)N1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000534637086 334309708 /nfs/dbraw/zinc/30/97/08/334309708.db2.gz LABZUTHUMHKBIJ-AWEZNQCLSA-N 0 3 302.422 2.492 50 0 DEAAHN CCNc1cc(NCCNC(=O)c2ccccc2C)nc(C)n1 ZINC000065365278 520274651 /nfs/dbraw/zinc/27/46/51/520274651.db2.gz CYUMXHJNKVVUKM-UHFFFAOYSA-N 0 3 313.405 2.367 50 0 DEAAHN C[C@@H]1CN(CCCN2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000328588550 563929675 /nfs/dbraw/zinc/92/96/75/563929675.db2.gz IHHSQJRUTDVLGN-DJDHSFSDSA-N 0 3 322.493 2.375 50 0 DEAAHN CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccccn2)C1 ZINC000011936816 635914675 /nfs/dbraw/zinc/91/46/75/635914675.db2.gz KLOOWNHZEHAOFU-KRWDZBQOSA-N 0 3 306.406 2.263 50 0 DEAAHN CC[C@H](O)CN1CCN(Cc2cc(C)nc3ccccc23)CC1 ZINC000174085155 646790292 /nfs/dbraw/zinc/79/02/92/646790292.db2.gz QXXAQNQKMMBDEX-KRWDZBQOSA-N 0 3 313.445 2.432 50 0 DEAAHN Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccon3)C2)o1 ZINC000825198114 783620951 /nfs/dbraw/zinc/62/09/51/783620951.db2.gz XLDGBADRKKOBGK-ZDUSSCGKSA-N 0 3 303.362 2.218 50 0 DEAAHN Cc1cccc(CN2CCC(CNC(=O)c3ccon3)CC2)n1 ZINC000825230590 783621893 /nfs/dbraw/zinc/62/18/93/783621893.db2.gz COGIUGUJLFJWCP-UHFFFAOYSA-N 0 3 314.389 2.020 50 0 DEAAHN COc1ccc2ccccc2c1CN1CCN(C)[C@H](CCO)C1 ZINC000828747378 783848398 /nfs/dbraw/zinc/84/83/98/783848398.db2.gz XKBRWAAPSFUISH-MRXNPFEDSA-N 0 3 314.429 2.347 50 0 DEAAHN O=C(COc1ccccc1F)N1CCCN(C2CCC2)CC1 ZINC000827939073 799506391 /nfs/dbraw/zinc/50/63/91/799506391.db2.gz IGONLQJKCYKMRE-UHFFFAOYSA-N 0 3 306.381 2.291 50 0 DEAAHN OC[C@@H]1CCCCN1CCNc1cc(C(F)(F)F)ccn1 ZINC001506416737 1061960282 /nfs/dbraw/zinc/96/02/82/1061960282.db2.gz LDKZKUUIRKIMDC-LBPRGKRZSA-N 0 3 303.328 2.359 50 0 DEAAHN CN1CCCCC[C@@H]1C(=O)NCCN1CCc2ccccc2C1 ZINC000823778660 1090698565 /nfs/dbraw/zinc/69/85/65/1090698565.db2.gz QKOIXCNRJGZVLZ-GOSISDBHSA-N 0 3 315.461 2.035 50 0 DEAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cc(C)nn1C(C)C ZINC000095512014 185376501 /nfs/dbraw/zinc/37/65/01/185376501.db2.gz CLOZPAWXOAEYPG-KBPBESRZSA-N 0 3 323.441 2.002 50 0 DEAAHN CN(C)C[C@@](C)(O)CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000089901200 282130107 /nfs/dbraw/zinc/13/01/07/282130107.db2.gz ZVKUSMLBSFPFHG-HNNXBMFYSA-N 0 3 310.781 2.129 50 0 DEAAHN CN(C)CCN(Cc1cccnc1)C(=O)/C=C/c1cscn1 ZINC000079050184 185149281 /nfs/dbraw/zinc/14/92/81/185149281.db2.gz PSJUBDPWXHXUSJ-AATRIKPKSA-N 0 3 316.430 2.142 50 0 DEAAHN Cc1ccc(S(=O)(=O)N2CCN(C)c3ccncc32)cc1F ZINC000079054962 185150300 /nfs/dbraw/zinc/15/03/00/185150300.db2.gz CDXLXKDMOXCITD-UHFFFAOYSA-N 0 3 321.377 2.174 50 0 DEAAHN CC(C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1)S(C)(=O)=O ZINC000079040529 185148236 /nfs/dbraw/zinc/14/82/36/185148236.db2.gz UJXUGOZKPUXPST-BMFZPTHFSA-N 0 3 323.458 2.337 50 0 DEAAHN Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)o1 ZINC000082120682 192359180 /nfs/dbraw/zinc/35/91/80/192359180.db2.gz WLLYVMBZWAYBJK-GOSISDBHSA-N 0 3 320.433 2.175 50 0 DEAAHN CC(C)Oc1ccccc1CC(=O)NCC1=CCN(C)CC1 ZINC000095463248 185371363 /nfs/dbraw/zinc/37/13/63/185371363.db2.gz NQZKWTXOMLTCIH-UHFFFAOYSA-N 0 3 302.418 2.394 50 0 DEAAHN C[C@@H](Cc1ccc(Br)cc1)NCCS(C)(=O)=O ZINC000219371793 539727136 /nfs/dbraw/zinc/72/71/36/539727136.db2.gz KNSFSAWDUIVXRX-JTQLQIEISA-N 0 3 320.252 2.014 50 0 DEAAHN CNc1cc(N2CCC[C@@H]2CNCc2ccsc2)ncn1 ZINC000072254086 191088504 /nfs/dbraw/zinc/08/85/04/191088504.db2.gz LSMLMXPMZCAAJC-CYBMUJFWSA-N 0 3 303.435 2.338 50 0 DEAAHN COc1cccc([C@@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072286213 191104732 /nfs/dbraw/zinc/10/47/32/191104732.db2.gz RHDQOQJLXFMTMS-YOEHRIQHSA-N 0 3 301.390 2.331 50 0 DEAAHN CCc1nc2c(s1)[C@H](N(C)C[C@H](O)Cn1cccn1)CCC2 ZINC000177890079 186199892 /nfs/dbraw/zinc/19/98/92/186199892.db2.gz MEQQEWTYNBJEIR-GXTWGEPZSA-N 0 3 320.462 2.272 50 0 DEAAHN O=C(c1ccon1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072412531 191155554 /nfs/dbraw/zinc/15/55/54/191155554.db2.gz UHAXSBDWMBCNJG-UHFFFAOYSA-N 0 3 315.417 2.401 50 0 DEAAHN Cc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)s1 ZINC000072425626 191160147 /nfs/dbraw/zinc/16/01/47/191160147.db2.gz FWXOBTLURMDLEN-GOEBONIOSA-N 0 3 322.474 2.252 50 0 DEAAHN CN1CCC(NC(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000003613333 181040805 /nfs/dbraw/zinc/04/08/05/181040805.db2.gz GWAJZJJXACZKKG-UHFFFAOYSA-N 0 3 316.323 2.295 50 0 DEAAHN CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000072288384 354900183 /nfs/dbraw/zinc/90/01/83/354900183.db2.gz QRIZQCGLZCFIMY-HZPDHXFCSA-N 0 3 323.481 2.016 50 0 DEAAHN Cc1nc(NC(=O)CN[C@@H](C)[C@H](C)n2cccn2)sc1C ZINC000075606734 355096245 /nfs/dbraw/zinc/09/62/45/355096245.db2.gz GOLMKYLBCXNYGN-ONGXEEELSA-N 0 3 307.423 2.134 50 0 DEAAHN CC(C)c1cnc(CN(C)[C@@H]2CCN(C[C@@H]3CCCO3)C2)o1 ZINC000095961641 355697288 /nfs/dbraw/zinc/69/72/88/355697288.db2.gz FITNJPKFGSNOPV-CABCVRRESA-N 0 3 307.438 2.483 50 0 DEAAHN CN1CCC(n2nc([C@@H]3CCOC3)nc2-c2cc[nH]c2)CC1 ZINC000097547534 355705999 /nfs/dbraw/zinc/70/59/99/355705999.db2.gz KMSMODGUBMUXAY-CYBMUJFWSA-N 0 3 301.394 2.044 50 0 DEAAHN CN1CCC(OC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000169792123 355984883 /nfs/dbraw/zinc/98/48/83/355984883.db2.gz UGRJJNOVJGPPHA-UHFFFAOYSA-N 0 3 302.418 2.402 50 0 DEAAHN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CCCN(C)C2)cc1 ZINC000185404275 356206628 /nfs/dbraw/zinc/20/66/28/356206628.db2.gz MKWYNDLQRWKLLS-JKSUJKDBSA-N 0 3 324.490 2.089 50 0 DEAAHN CO[C@H](C)CNC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000225509022 356276786 /nfs/dbraw/zinc/27/67/86/356276786.db2.gz KYUYWVUMHDTUOR-OAHLLOKOSA-N 0 3 319.449 2.294 50 0 DEAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000584889248 357325880 /nfs/dbraw/zinc/32/58/80/357325880.db2.gz NVNZRHMSYAZMSR-IRXDYDNUSA-N 0 3 302.418 2.013 50 0 DEAAHN CC(C)CN1CCCN(C(=O)[C@@H]2CC(=O)OC23CCCC3)CC1 ZINC000584896190 357328938 /nfs/dbraw/zinc/32/89/38/357328938.db2.gz IYSIOKYCGQMDLK-HNNXBMFYSA-N 0 3 322.449 2.053 50 0 DEAAHN c1cn(Cc2noc([C@@H]3CCCN(Cc4ccccc4)C3)n2)nn1 ZINC000585140802 357338010 /nfs/dbraw/zinc/33/80/10/357338010.db2.gz LABSOXPZAVJVOA-OAHLLOKOSA-N 0 3 324.388 2.089 50 0 DEAAHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NC[C@@H](C)O)cc1 ZINC000184828643 199770149 /nfs/dbraw/zinc/77/01/49/199770149.db2.gz WNOOPIIJSASNCD-VNQPRFMTSA-N 0 3 311.447 2.050 50 0 DEAAHN CC[C@@H]1Oc2cc([C@H](C)NCCn3ccnc3)ccc2NC1=O ZINC000180008959 199106847 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402227770 /nfs/dbraw/zinc/22/77/70/402227770.db2.gz DDQKSFXGFPALFT-LBPRGKRZSA-N 0 3 315.421 2.226 50 0 DEAAHN C[C@H]1CCCN(CCNC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000107220027 402228428 /nfs/dbraw/zinc/22/84/28/402228428.db2.gz DUZSWLWDFSEMDN-ZDUSSCGKSA-N 0 3 314.389 2.198 50 0 DEAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc2cc[nH]c2c1 ZINC000069594577 402233714 /nfs/dbraw/zinc/23/37/14/402233714.db2.gz ZBGFOKPXEOGEAO-MRXNPFEDSA-N 0 3 315.417 2.351 50 0 DEAAHN Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCc3ncnn3C2)cc1 ZINC000069664764 402237667 /nfs/dbraw/zinc/23/76/67/402237667.db2.gz FRDSIDWYKUQNGH-OAHLLOKOSA-N 0 3 308.389 2.081 50 0 DEAAHN O[C@@H](CN1CCCC[C@@H]1Cn1cncn1)c1ccc(F)c(F)c1 ZINC000069667781 402238021 /nfs/dbraw/zinc/23/80/21/402238021.db2.gz KOBCCIXLWGCROF-CJNGLKHVSA-N 0 3 322.359 2.144 50 0 DEAAHN CCCc1cc(C(=O)N2CCC[C@H](n3ccnc3C)C2)n[nH]1 ZINC000069899508 402250180 /nfs/dbraw/zinc/25/01/80/402250180.db2.gz OSJIAKSGVUWDSE-AWEZNQCLSA-N 0 3 301.394 2.344 50 0 DEAAHN 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276005077 /nfs/dbraw/zinc/00/50/77/276005077.db2.gz AUSRWYORTXKDEA-CQSZACIVSA-N 0 3 324.494 2.132 50 0 DEAAHN C[C@@H](N)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000161885915 278303476 /nfs/dbraw/zinc/30/34/76/278303476.db2.gz FMAJHLFATKXZAK-SNVBAGLBSA-N 0 3 311.223 2.286 50 0 DEAAHN CC[C@H](NC1CCN([C@H](C)c2ccncc2)CC1)C(=O)OC ZINC000192859960 288035823 /nfs/dbraw/zinc/03/58/23/288035823.db2.gz GMKOHEBGLQDERU-CJNGLKHVSA-N 0 3 305.422 2.148 50 0 DEAAHN COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000006520320 295277652 /nfs/dbraw/zinc/27/76/52/295277652.db2.gz CDGFTOARGCEWKI-SUNYJGFJSA-N 0 3 301.386 2.268 50 0 DEAAHN Cc1ccccc1[C@H](CN1CCOCC1)NC[C@H]1CCCO1 ZINC000195560578 302185055 /nfs/dbraw/zinc/18/50/55/302185055.db2.gz MMMAMPJRWUJNIL-AEFFLSMTSA-N 0 3 304.434 2.137 50 0 DEAAHN COc1ccc([C@H](N)CC(=O)N2CCC(F)CC2)cc1OC ZINC000534637104 334309720 /nfs/dbraw/zinc/30/97/20/334309720.db2.gz QECUIYUZGNIFSB-CYBMUJFWSA-N 0 3 310.369 2.054 50 0 DEAAHN Cc1cccc([C@H](CNC(=O)CCc2cn[nH]c2)N(C)C)c1 ZINC000534650914 334311946 /nfs/dbraw/zinc/31/19/46/334311946.db2.gz NWTJUYUZNBISTA-INIZCTEOSA-N 0 3 300.406 2.070 50 0 DEAAHN CC(C)[NH+]1CCC(C[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000022999792 337350895 /nfs/dbraw/zinc/35/08/95/337350895.db2.gz HULWKXJJWOMYMH-UHFFFAOYSA-N 0 3 314.426 2.224 50 0 DEAAHN CC(C)(C)C(=O)N1CCC(CN2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000162862209 337383433 /nfs/dbraw/zinc/38/34/33/337383433.db2.gz LMURDAXWRFYRPI-SFHVURJKSA-N 0 3 323.481 2.001 50 0 DEAAHN CN1CC[C@@H](CN[C@H](C(N)=O)c2ccccc2)c2ccccc21 ZINC000056216233 536450426 /nfs/dbraw/zinc/45/04/26/536450426.db2.gz MMZKEXQIZUZBHD-YJBOKZPZSA-N 0 3 309.413 2.426 50 0 DEAAHN CCN(CC(C)(C)O)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000158174657 684296744 /nfs/dbraw/zinc/29/67/44/684296744.db2.gz RAWNBXLAMJPNNK-HNNXBMFYSA-N 0 3 308.397 2.414 50 0 DEAAHN Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccon3)C2)o1 ZINC000825198113 783619953 /nfs/dbraw/zinc/61/99/53/783619953.db2.gz XLDGBADRKKOBGK-CYBMUJFWSA-N 0 3 303.362 2.218 50 0 DEAAHN CN(C)c1ncc(CNCCOc2cccc3cccnc32)cn1 ZINC000952963973 792812241 /nfs/dbraw/zinc/81/22/41/792812241.db2.gz LNROJXQKELKINO-UHFFFAOYSA-N 0 3 323.400 2.259 50 0 DEAAHN Cc1c[nH]c([C@@H](C)NC2CCN(C(=O)c3cccnc3)CC2)n1 ZINC001506418757 1061964872 /nfs/dbraw/zinc/96/48/72/1061964872.db2.gz SNDNSLWXRUHFNK-CYBMUJFWSA-N 0 3 313.405 2.069 50 0 DEAAHN C[C@H](CSC(C)(C)C)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000090116005 185282949 /nfs/dbraw/zinc/28/29/49/185282949.db2.gz CYYVANVBRAVMKN-OLZOCXBDSA-N 0 3 324.494 2.425 50 0 DEAAHN CCn1cc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000090201235 185286700 /nfs/dbraw/zinc/28/67/00/185286700.db2.gz ACFPNVVIZFWBRC-AWEZNQCLSA-N 0 3 308.426 2.392 50 0 DEAAHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000090412184 185295068 /nfs/dbraw/zinc/29/50/68/185295068.db2.gz QFXDLKAFJFWKMR-WCQYABFASA-N 0 3 309.385 2.289 50 0 DEAAHN Cc1ccc2c(c1)[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)CC2 ZINC000097033474 185399598 /nfs/dbraw/zinc/39/95/98/185399598.db2.gz FKJMXTMGISCMPH-DJIMGWMZSA-N 0 3 302.418 2.208 50 0 DEAAHN CCN1CCC[C@@H]1CNC(=O)CCc1ccc2c(c1)CCO2 ZINC000095472317 185372547 /nfs/dbraw/zinc/37/25/47/185372547.db2.gz BKAPTTHKMCFGGT-MRXNPFEDSA-N 0 3 302.418 2.155 50 0 DEAAHN Cn1cc(CNC[C@@]2(O)CCSC2)c(C2CCCCC2)n1 ZINC000097086598 185408363 /nfs/dbraw/zinc/40/83/63/185408363.db2.gz XAHOIUPTFSBXOH-INIZCTEOSA-N 0 3 309.479 2.425 50 0 DEAAHN Cc1ccc(N2CC[C@H](NC[C@@H]3CCCn4ccnc43)C2=O)cc1 ZINC000084150598 539393099 /nfs/dbraw/zinc/39/30/99/539393099.db2.gz CPSATAICTFQLPE-RDJZCZTQSA-N 0 3 324.428 2.464 50 0 DEAAHN O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)c1ccc[nH]1 ZINC000084338980 539394747 /nfs/dbraw/zinc/39/47/47/539394747.db2.gz UZCBVIKVAYRGDK-UHFFFAOYSA-N 0 3 313.401 2.266 50 0 DEAAHN CCOc1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1OC ZINC000084810554 539399067 /nfs/dbraw/zinc/39/90/67/539399067.db2.gz OPMQAHURBBTMAP-INIZCTEOSA-N 0 3 320.433 2.442 50 0 DEAAHN C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)C(=O)N1CCOCC1 ZINC000091373352 539419974 /nfs/dbraw/zinc/41/99/74/539419974.db2.gz VMQKPHYAQBSKET-STQMWFEESA-N 0 3 310.825 2.108 50 0 DEAAHN C[C@@H](NC[C@@H]1CCCn2ccnc21)C(=O)N1CCc2ccccc21 ZINC000083927594 192390389 /nfs/dbraw/zinc/39/03/89/192390389.db2.gz JLRQCNHGNAQXHW-ZBFHGGJFSA-N 0 3 324.428 2.328 50 0 DEAAHN CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1 ZINC000071754946 191024609 /nfs/dbraw/zinc/02/46/09/191024609.db2.gz COXUEICKUNOYSR-AWEZNQCLSA-N 0 3 317.433 2.449 50 0 DEAAHN CCCN1CCCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000071853894 191032580 /nfs/dbraw/zinc/03/25/80/191032580.db2.gz UEFRQTXLOUYFSG-UHFFFAOYSA-N 0 3 313.401 2.086 50 0 DEAAHN OC[C@H]1CCCCN1CCNc1cc(Cl)c2cc[nH]c2n1 ZINC000072154597 191058734 /nfs/dbraw/zinc/05/87/34/191058734.db2.gz PSGBRKSWQUMPCP-LLVKDONJSA-N 0 3 308.813 2.475 50 0 DEAAHN O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@H]1C[C@@H](O)CN1 ZINC000150692134 186057486 /nfs/dbraw/zinc/05/74/86/186057486.db2.gz HJKXYMPLTAXZFC-LDYMZIIASA-N 0 3 323.805 2.125 50 0 DEAAHN C[C@H](C1CCN(C(=O)CCc2ccco2)CC1)N1CCOCC1 ZINC000072422995 191158332 /nfs/dbraw/zinc/15/83/32/191158332.db2.gz FSQSYLANWHOMJU-OAHLLOKOSA-N 0 3 320.433 2.172 50 0 DEAAHN COc1ccccc1Cn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072472919 191175229 /nfs/dbraw/zinc/17/52/29/191175229.db2.gz QHMMXPBVYSHOFZ-UHFFFAOYSA-N 0 3 323.400 2.297 50 0 DEAAHN COCCCN(C(=O)Cc1ccsc1)C1CCN(C)CC1 ZINC000072473695 191175252 /nfs/dbraw/zinc/17/52/52/191175252.db2.gz HHFOUZNYRAAOTC-UHFFFAOYSA-N 0 3 310.463 2.250 50 0 DEAAHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2cccc(C)c2)C1 ZINC000004185918 181083224 /nfs/dbraw/zinc/08/32/24/181083224.db2.gz KLSDYSGLGFIDTD-HOTGVXAUSA-N 0 3 321.417 2.010 50 0 DEAAHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc(C)c2)C1 ZINC000004185917 181083409 /nfs/dbraw/zinc/08/34/09/181083409.db2.gz KLSDYSGLGFIDTD-CVEARBPZSA-N 0 3 321.417 2.010 50 0 DEAAHN Cc1oc(C(C)C)nc1C(=O)NCCCOC1CCN(C)CC1 ZINC000065293493 354681671 /nfs/dbraw/zinc/68/16/71/354681671.db2.gz BMEYGRKPHZMTGQ-UHFFFAOYSA-N 0 3 323.437 2.337 50 0 DEAAHN c1cn(-c2ccc(CN3CCC[C@H]3Cn3cncn3)cc2)cn1 ZINC000069620989 354870938 /nfs/dbraw/zinc/87/09/38/354870938.db2.gz KTUGQWKFRSSGGU-KRWDZBQOSA-N 0 3 308.389 2.128 50 0 DEAAHN C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000074745484 355046782 /nfs/dbraw/zinc/04/67/82/355046782.db2.gz OZTZLDJOKNJIJC-DOTOQJQBSA-N 0 3 318.465 2.226 50 0 DEAAHN O=C1CCCN1C[C@H](NC[C@@H]1CCCOC1)c1ccccc1 ZINC000097230633 355703052 /nfs/dbraw/zinc/70/30/52/355703052.db2.gz NDNDPYLPTZCMGM-RDJZCZTQSA-N 0 3 302.418 2.366 50 0 DEAAHN CN(C)C(=O)OCCN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000097373629 355703802 /nfs/dbraw/zinc/70/38/02/355703802.db2.gz LCKNXXSRWUDWIU-UHFFFAOYSA-N 0 3 316.405 2.441 50 0 DEAAHN OC[C@@H]1CCCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000110692303 355744364 /nfs/dbraw/zinc/74/43/64/355744364.db2.gz ZCLYVVLYFOZDRE-TZMCWYRMSA-N 0 3 317.351 2.313 50 0 DEAAHN CNC(=O)C1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000179823283 356034086 /nfs/dbraw/zinc/03/40/86/356034086.db2.gz APOYRMHLIRASKH-UHFFFAOYSA-N 0 3 302.418 2.358 50 0 DEAAHN CCN1CCC[C@@H](NC(=O)c2ccccc2-c2nnc(C)o2)C1 ZINC000178106252 356011570 /nfs/dbraw/zinc/01/15/70/356011570.db2.gz GOFWYGUVZQXIIS-CYBMUJFWSA-N 0 3 314.389 2.259 50 0 DEAAHN CN(C)C[C@]1(O)CCCN(C(=O)Nc2ccccc2Cl)C1 ZINC000585137165 357337372 /nfs/dbraw/zinc/33/73/72/357337372.db2.gz KVXRWYZTKPYVKN-OAHLLOKOSA-N 0 3 311.813 2.260 50 0 DEAAHN CC[C@@H](C)N(CCO)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000585137274 357338060 /nfs/dbraw/zinc/33/80/60/357338060.db2.gz QAXODWBXCOHPKY-WBVHZDCISA-N 0 3 319.449 2.063 50 0 DEAAHN CCN1CC[C@@H](CN(C)S(=O)(=O)c2cc(C)sc2C)C1 ZINC000670453396 540935533 /nfs/dbraw/zinc/93/55/33/540935533.db2.gz ISDYBQIKCMMMRZ-ZDUSSCGKSA-N 0 3 316.492 2.327 50 0 DEAAHN CCN1CCC(NC(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000006699417 181371974 /nfs/dbraw/zinc/37/19/74/181371974.db2.gz RQOSINBYDBZFKX-UHFFFAOYSA-N 0 3 305.378 2.079 50 0 DEAAHN COCC[C@]1(O)CCN(Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000091755831 193103147 /nfs/dbraw/zinc/10/31/47/193103147.db2.gz DJJKZLPEDMNGPG-RDTXWAMCSA-N 0 3 321.417 2.067 50 0 DEAAHN CSCC(=O)N[C@H]1CN(CCc2ccccn2)C[C@@H]1C(C)C ZINC000091820142 193112527 /nfs/dbraw/zinc/11/25/27/193112527.db2.gz BSRWNNDHCDQWFT-CVEARBPZSA-N 0 3 321.490 2.060 50 0 DEAAHN O=C(C[C@@H]1CNCCO1)N1CCC(CCc2ccccc2)CC1 ZINC000091847462 193116865 /nfs/dbraw/zinc/11/68/65/193116865.db2.gz YECXEFQEMZJKJH-GOSISDBHSA-N 0 3 316.445 2.236 50 0 DEAAHN Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCCN(C)C ZINC000257173679 202925138 /nfs/dbraw/zinc/92/51/38/202925138.db2.gz UZPDCRGACWDAJA-UHFFFAOYSA-N 0 3 301.365 2.488 50 0 DEAAHN O=S(=O)(NCCCN1CCCC1)c1ccccc1Cl ZINC000007728078 181490566 /nfs/dbraw/zinc/49/05/66/181490566.db2.gz XZTPOELGVIDQHN-UHFFFAOYSA-N 0 3 302.827 2.104 50 0 DEAAHN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000008266578 181541787 /nfs/dbraw/zinc/54/17/87/181541787.db2.gz DEESLUCJZOYXNB-ZIAGYGMSSA-N 0 3 319.405 2.118 50 0 DEAAHN C[C@H]1CN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000019868087 182158143 /nfs/dbraw/zinc/15/81/43/182158143.db2.gz OJSQJYYLFNJTIJ-GJZGRUSLSA-N 0 3 302.418 2.400 50 0 DEAAHN COCCN1CC[C@H](CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000020453764 182219291 /nfs/dbraw/zinc/21/92/91/182219291.db2.gz PTZLIPHJOAEPOT-LLVKDONJSA-N 0 3 314.788 2.177 50 0 DEAAHN COc1cccc2c1OC[C@@H](NCc1ccc3nonc3c1)C2 ZINC000020514418 182226849 /nfs/dbraw/zinc/22/68/49/182226849.db2.gz QHUQNGFQLOJMHL-ZDUSSCGKSA-N 0 3 311.341 2.325 50 0 DEAAHN CCN1CCC(NC(=O)[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC000020608747 182237792 /nfs/dbraw/zinc/23/77/92/182237792.db2.gz HVEAWPJDXZEWBB-ZDUSSCGKSA-N 0 3 306.406 2.063 50 0 DEAAHN CCOc1ccccc1C(=O)NCC1CCN(CCOC)CC1 ZINC000023014110 182345006 /nfs/dbraw/zinc/34/50/06/182345006.db2.gz UYMAKFDITGDVLB-UHFFFAOYSA-N 0 3 320.433 2.174 50 0 DEAAHN OCC[C@H]1CN(Cc2ccon2)CCN1CC1CCCCC1 ZINC000023358392 182357383 /nfs/dbraw/zinc/35/73/83/182357383.db2.gz LVSAAUPSMIQRIO-KRWDZBQOSA-N 0 3 307.438 2.124 50 0 DEAAHN COc1cccc([C@@H](CNc2cc(Cl)nc(N)n2)N(C)C)c1 ZINC000024056487 182374137 /nfs/dbraw/zinc/37/41/37/182374137.db2.gz XVONKFWZRRYGQT-GFCCVEGCSA-N 0 3 321.812 2.436 50 0 DEAAHN C[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)N1CCCC1 ZINC000040652938 183113989 /nfs/dbraw/zinc/11/39/89/183113989.db2.gz IRGHJYMIUPPLPK-AWEZNQCLSA-N 0 3 315.417 2.028 50 0 DEAAHN CCOC(=O)NCCC(=O)Nc1ccccc1CN1CCCC1 ZINC000057258382 184030912 /nfs/dbraw/zinc/03/09/12/184030912.db2.gz YVBNGUMILWZZJO-UHFFFAOYSA-N 0 3 319.405 2.357 50 0 DEAAHN CCc1ncc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000065408030 184339285 /nfs/dbraw/zinc/33/92/85/184339285.db2.gz GAIBPNLPUGQPNT-QGZVFWFLSA-N 0 3 324.428 2.386 50 0 DEAAHN CC(=O)c1ccccc1NC(=O)CCN1CCCC[C@@H]1CCO ZINC000065459677 184348577 /nfs/dbraw/zinc/34/85/77/184348577.db2.gz DXLAUUUGGMZXIA-OAHLLOKOSA-N 0 3 318.417 2.455 50 0 DEAAHN Cc1ccc([C@H](C)CCN2CCC(NS(C)(=O)=O)CC2)o1 ZINC000065491404 184353421 /nfs/dbraw/zinc/35/34/21/184353421.db2.gz PPWOAKFRISHCAK-GFCCVEGCSA-N 0 3 314.451 2.095 50 0 DEAAHN COCCN1CC[C@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000065623341 184375048 /nfs/dbraw/zinc/37/50/48/184375048.db2.gz OAWMCWGCNFDQOY-CQSZACIVSA-N 0 3 315.417 2.174 50 0 DEAAHN C[C@@H](Cn1cccn1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000065625627 184375344 /nfs/dbraw/zinc/37/53/44/184375344.db2.gz LXQMBOZLCZQBNE-HNNXBMFYSA-N 0 3 312.417 2.297 50 0 DEAAHN COCCN(C)CCCNC(=O)C[C@@H](C)c1ccccc1F ZINC000065624543 184375655 /nfs/dbraw/zinc/37/56/55/184375655.db2.gz LVVBISNYBOGYNB-CQSZACIVSA-N 0 3 310.413 2.404 50 0 DEAAHN Cc1cc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)[nH]n1 ZINC000039420667 132135999 /nfs/dbraw/zinc/13/59/99/132135999.db2.gz LQLJRFDFTOUIGJ-GOSISDBHSA-N 0 3 320.481 2.167 50 0 DEAAHN Cc1cc(Cl)c(OCCNCCO)c(Br)c1 ZINC000003000921 401720730 /nfs/dbraw/zinc/72/07/30/401720730.db2.gz XTVGCERISVTAAD-UHFFFAOYSA-N 0 3 308.603 2.372 50 0 DEAAHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccc(C)cc2)C1 ZINC000007166302 401737480 /nfs/dbraw/zinc/73/74/80/401737480.db2.gz HEAHKKGIIAKUTB-CVEARBPZSA-N 0 3 321.417 2.010 50 0 DEAAHN Fc1cccc(-n2nnnc2SCCN2CCCCC2)c1 ZINC000007735578 401743172 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Cc1ccc([C@H](CNC(=O)Nc2ccn(C)n2)N(C)C)cc1 ZINC000069528163 184522983 /nfs/dbraw/zinc/52/29/83/184522983.db2.gz UGQHVXSKVOLPIB-AWEZNQCLSA-N 0 3 301.394 2.153 50 0 DEAAHN COCCN1C[C@H](NC(=O)CCC(F)(F)F)[C@@H](C(C)C)C1 ZINC000091320463 285063264 /nfs/dbraw/zinc/06/32/64/285063264.db2.gz DBMHXXMEHBDBRH-NEPJUHHUSA-N 0 3 310.360 2.048 50 0 DEAAHN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000408524896 533336454 /nfs/dbraw/zinc/33/64/54/533336454.db2.gz KPBGZLGPANSQQB-WDEREUQCSA-N 0 3 319.796 2.275 50 0 DEAAHN CC(C)c1ccc([C@H](N)CNC(=O)c2coc(CN)c2)cc1 ZINC000262771770 145304453 /nfs/dbraw/zinc/30/44/53/145304453.db2.gz HZAQMXMRRLZVJZ-MRXNPFEDSA-N 0 3 301.390 2.292 50 0 DEAAHN O=C(CCc1nc2ccccc2s1)NCCN1CCCC1 ZINC000007435824 401740130 /nfs/dbraw/zinc/74/01/30/401740130.db2.gz YKPWVPULVNIOGR-UHFFFAOYSA-N 0 3 303.431 2.441 50 0 DEAAHN O[C@@H](CN1CCCC[C@@H]1Cn1cncn1)c1ccccc1F ZINC000071876342 401691036 /nfs/dbraw/zinc/69/10/36/401691036.db2.gz YDZWALQFDNFSSX-CJNGLKHVSA-N 0 3 304.369 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/nfs/dbraw/zinc/81/51/58/401815158.db2.gz CBQQSOOMGKDGQQ-WMLDXEAASA-N 0 3 312.417 2.017 50 0 DEAAHN O=C(CN1CCCC[C@@H]1CCc1cccs1)N1CCOCC1 ZINC000077455680 401815821 /nfs/dbraw/zinc/81/58/21/401815821.db2.gz RNECBEBMQVGKRN-OAHLLOKOSA-N 0 3 322.474 2.394 50 0 DEAAHN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000032758532 401882353 /nfs/dbraw/zinc/88/23/53/401882353.db2.gz XWIYVQRUHQXEFU-QGZVFWFLSA-N 0 3 321.461 2.489 50 0 DEAAHN CC(C)c1nn(C)cc1CNC[C@@H]1COc2ccccc2O1 ZINC000042907646 401935791 /nfs/dbraw/zinc/93/57/91/401935791.db2.gz FBTFQSHDHIUVQN-CQSZACIVSA-N 0 3 301.390 2.473 50 0 DEAAHN COCCCN(Cc1ccsc1)C[C@@H](O)COC(C)C ZINC000036099434 401902626 /nfs/dbraw/zinc/90/26/26/401902626.db2.gz BDDJACAGJHJIQE-OAHLLOKOSA-N 0 3 301.452 2.373 50 0 DEAAHN O=S(=O)([N-]C1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000036286264 401903923 /nfs/dbraw/zinc/90/39/23/401903923.db2.gz FYWPBLZGPIWMLI-UHFFFAOYSA-N 0 3 309.218 2.024 50 0 DEAAHN COc1cccc([C@@H](C)Sc2nnnn2CCN(C)C)c1 ZINC000084656261 401908261 /nfs/dbraw/zinc/90/82/61/401908261.db2.gz DIRYWGLWUFQYBB-LLVKDONJSA-N 0 3 307.423 2.097 50 0 DEAAHN C[C@@H](CNS(=O)(=O)c1ccc(F)cc1)CN1CCCCC1 ZINC000038110494 401922171 /nfs/dbraw/zinc/92/21/71/401922171.db2.gz ZHNGJTIQOWCENQ-ZDUSSCGKSA-N 0 3 314.426 2.226 50 0 DEAAHN C[C@@H](NCCCC(=O)N1CCc2ccccc2C1)c1cnccn1 ZINC000089617352 401954032 /nfs/dbraw/zinc/95/40/32/401954032.db2.gz VNDNTIOXTVNDAC-OAHLLOKOSA-N 0 3 324.428 2.492 50 0 DEAAHN CN1CCN(CCCNC(=O)C2CCC2)[C@H](c2ccccc2)C1 ZINC000046388204 401969629 /nfs/dbraw/zinc/96/96/29/401969629.db2.gz CGNYIONDJISFNZ-SFHVURJKSA-N 0 3 315.461 2.282 50 0 DEAAHN Cc1c([C@H](C)NC(=O)N2CCN(C3CCCC3)CC2)cnn1C ZINC000047005943 401977731 /nfs/dbraw/zinc/97/77/31/401977731.db2.gz UBKDKUMGKGBXFI-ZDUSSCGKSA-N 0 3 319.453 2.059 50 0 DEAAHN c1[nH]nc(-c2cccnc2)c1CNCc1ccc2c(c1)OCO2 ZINC000048040661 401992429 /nfs/dbraw/zinc/99/24/29/401992429.db2.gz YECBGHPTQFXTLG-UHFFFAOYSA-N 0 3 308.341 2.490 50 0 DEAAHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000091496893 401996205 /nfs/dbraw/zinc/99/62/05/401996205.db2.gz PSUSVKLYDMHRGI-ONGXEEELSA-N 0 3 322.352 2.124 50 0 DEAAHN CC(=O)N1CCN(Cc2c(C)ccc3ccccc32)C[C@@H](O)C1 ZINC000091460005 401996228 /nfs/dbraw/zinc/99/62/28/401996228.db2.gz JXLFKIXAQRUPMJ-QGZVFWFLSA-N 0 3 312.413 2.173 50 0 DEAAHN C[C@@H](CN1CCOCC1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000091531521 401996240 /nfs/dbraw/zinc/99/62/40/401996240.db2.gz XZEWJTNOOYIEMK-LPHOPBHVSA-N 0 3 318.461 2.153 50 0 DEAAHN COCc1nccc([C@@H]2CCCN(C[C@@H]3CCCCO3)C2)n1 ZINC000089420449 401946294 /nfs/dbraw/zinc/94/62/94/401946294.db2.gz UYXLQDJIDHTTPT-CABCVRRESA-N 0 3 305.422 2.372 50 0 DEAAHN CC(C)c1noc([C@H](C)N2CCC(CN3CCOCC3)CC2)n1 ZINC000051959551 402038075 /nfs/dbraw/zinc/03/80/75/402038075.db2.gz UCJULLUZBSBEKY-AWEZNQCLSA-N 0 3 322.453 2.298 50 0 DEAAHN COc1ccccc1N1CCC[C@@H](N[C@H]2CCSC2)C1=O ZINC000095968169 402038337 /nfs/dbraw/zinc/03/83/37/402038337.db2.gz QWZJWVIAXGSTMV-QWHCGFSZSA-N 0 3 306.431 2.286 50 0 DEAAHN CC(C)COC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000095971065 402039243 /nfs/dbraw/zinc/03/92/43/402039243.db2.gz FEKNHGJYKOXMEU-QGZVFWFLSA-N 0 3 304.434 2.220 50 0 DEAAHN Cc1cccc(OC[C@@H](O)CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000095972694 402039285 /nfs/dbraw/zinc/03/92/85/402039285.db2.gz SMZPHJMOQPFCLU-HOTGVXAUSA-N 0 3 315.417 2.337 50 0 DEAAHN CC(C)(NC[C@H](O)CN1CCCC1=O)c1cccc(Cl)c1 ZINC000095985285 402042645 /nfs/dbraw/zinc/04/26/45/402042645.db2.gz PNSFKDRFIFUKTF-AWEZNQCLSA-N 0 3 310.825 2.148 50 0 DEAAHN CCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000052584858 402044311 /nfs/dbraw/zinc/04/43/11/402044311.db2.gz JWFDOSMBPXPFHY-UHFFFAOYSA-N 0 3 308.422 2.240 50 0 DEAAHN CCCN(Cc1cc(=O)n2nc(CC)sc2n1)CC1CC1 ZINC000052891149 402048374 /nfs/dbraw/zinc/04/83/74/402048374.db2.gz GDZCEAASSTZEDZ-UHFFFAOYSA-N 0 3 306.435 2.335 50 0 DEAAHN COCCOc1ccccc1C(=O)NCCN1CCCC[C@H]1C ZINC000053030818 402049995 /nfs/dbraw/zinc/04/99/95/402049995.db2.gz FGBQOQPQWHDVEB-OAHLLOKOSA-N 0 3 320.433 2.316 50 0 DEAAHN COc1cc2c(cc1CNCCc1cnn(C)c1)O[C@H](C)C2 ZINC000048784520 402008005 /nfs/dbraw/zinc/00/80/05/402008005.db2.gz DYDBAABBESFQCF-GFCCVEGCSA-N 0 3 301.390 2.084 50 0 DEAAHN CC(C)NC(=O)N(CCN(C)C)Cc1cc(-c2ccco2)on1 ZINC000096210852 402070238 /nfs/dbraw/zinc/07/02/38/402070238.db2.gz AFPRZXJGXJGZBX-UHFFFAOYSA-N 0 3 320.393 2.416 50 0 DEAAHN C[C@@H](CNC(=O)N[C@H]1CCSC1)N(C)Cc1ccccc1 ZINC000096440064 402087075 /nfs/dbraw/zinc/08/70/75/402087075.db2.gz SMCBPMAJPKEPIC-ZFWWWQNUSA-N 0 3 307.463 2.312 50 0 DEAAHN CNC(=O)[C@@H](NCCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000096443290 402088418 /nfs/dbraw/zinc/08/84/18/402088418.db2.gz WOVOEZZKMTVZIL-SFHVURJKSA-N 0 3 310.397 2.241 50 0 DEAAHN CCc1cc(N2CCC(NCc3cnn(CC)c3)CC2)ncn1 ZINC000096449359 402089937 /nfs/dbraw/zinc/08/99/37/402089937.db2.gz ZHOFQYVNSIXTJA-UHFFFAOYSA-N 0 3 314.437 2.014 50 0 DEAAHN O[C@@H](CNc1cccc(F)n1)CN1CCc2ccccc2C1 ZINC000096453419 402091005 /nfs/dbraw/zinc/09/10/05/402091005.db2.gz KSKSYFIVASHDAZ-HNNXBMFYSA-N 0 3 301.365 2.052 50 0 DEAAHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000096478056 402094022 /nfs/dbraw/zinc/09/40/22/402094022.db2.gz ALPSXBROMPTHAP-HIFRSBDPSA-N 0 3 315.417 2.085 50 0 DEAAHN CN(C)CCS[C@H](C(N)=O)c1cccc(Br)c1 ZINC000096486229 402095287 /nfs/dbraw/zinc/09/52/87/402095287.db2.gz DMQGQXGCUWWLFO-NSHDSACASA-N 0 3 317.252 2.270 50 0 DEAAHN Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000058305455 402099749 /nfs/dbraw/zinc/09/97/49/402099749.db2.gz NKBYKUYLJKENMA-MRXNPFEDSA-N 0 3 314.433 2.378 50 0 DEAAHN COCCn1cc(C(=O)NC[C@H]2CCCN2C)c2ccccc21 ZINC000058341205 402100040 /nfs/dbraw/zinc/10/00/40/402100040.db2.gz CFQKGKNTUMNSGH-CQSZACIVSA-N 0 3 315.417 2.112 50 0 DEAAHN Cc1n[nH]cc1CNC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000065463798 402125875 /nfs/dbraw/zinc/12/58/75/402125875.db2.gz RSHVYYZWGFIBNC-HNNXBMFYSA-N 0 3 313.449 2.018 50 0 DEAAHN CCc1noc(C)c1C(=O)N1CCC(N2CCSCC2)CC1 ZINC000097674265 402130044 /nfs/dbraw/zinc/13/00/44/402130044.db2.gz PVPCZGGMPRHKPN-UHFFFAOYSA-N 0 3 323.462 2.199 50 0 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2.008 50 0 DEAAHN CC(C)(C)c1n[nH]cc1CN[C@H]1CCCN(c2cccnn2)C1 ZINC000069774106 402243838 /nfs/dbraw/zinc/24/38/38/402243838.db2.gz VPQUZCNEQNGOMI-AWEZNQCLSA-N 0 3 314.437 2.256 50 0 DEAAHN COCCN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000069814268 402245331 /nfs/dbraw/zinc/24/53/31/402245331.db2.gz LYUNEOFESNQRNT-GFCCVEGCSA-N 0 3 307.312 2.023 50 0 DEAAHN c1ccc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)nc1 ZINC000069843592 402247181 /nfs/dbraw/zinc/24/71/81/402247181.db2.gz BSCXMVALAATERE-OAHLLOKOSA-N 0 3 313.405 2.096 50 0 DEAAHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(F)cc2cccnc21 ZINC000069900441 402250279 /nfs/dbraw/zinc/25/02/79/402250279.db2.gz VCQPGUPFCRJNBJ-AAEUAGOBSA-N 0 3 301.365 2.460 50 0 DEAAHN O=[S@](CCN1CCC[C@@H]1Cn1cccn1)c1ccccc1 ZINC000069929824 402251872 /nfs/dbraw/zinc/25/18/72/402251872.db2.gz WQTDLUXODQMTCF-VFNWGFHPSA-N 0 3 303.431 2.155 50 0 DEAAHN C[C@@H](NCC(=O)NCCC1=CCCCC1)[C@H](C)n1cccn1 ZINC000070003961 402254208 /nfs/dbraw/zinc/25/42/08/402254208.db2.gz IAIWUVIMEAHIIX-CABCVRRESA-N 0 3 304.438 2.429 50 0 DEAAHN CN(C)[C@@H]1C[C@@H](CO)N(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000215834117 402285443 /nfs/dbraw/zinc/28/54/43/402285443.db2.gz VHVQZGAJXSHVPU-NEPJUHHUSA-N 0 3 303.233 2.490 50 0 DEAAHN NC(=O)c1ncn([C@@H]2CCCN(CCCC3CCCCC3)C2)n1 ZINC000225423370 402317144 /nfs/dbraw/zinc/31/71/44/402317144.db2.gz MRSWRDSPTPMGET-OAHLLOKOSA-N 0 3 319.453 2.374 50 0 DEAAHN Cc1ncsc1CCN(C)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000244795571 402449521 /nfs/dbraw/zinc/44/95/21/402449521.db2.gz RIXMMWMSTCNMPV-ZDUSSCGKSA-N 0 3 318.446 2.336 50 0 DEAAHN O=C(/C=C/c1ccccc1OC(F)(F)F)N1CCCNCC1 ZINC000237714493 402419091 /nfs/dbraw/zinc/41/90/91/402419091.db2.gz HPEXTHJYAWMNGQ-VOTSOKGWSA-N 0 3 314.307 2.420 50 0 DEAAHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)CC1(C)CCCCC1 ZINC000241439994 402443306 /nfs/dbraw/zinc/44/33/06/402443306.db2.gz NOEYOCYLTMXMRY-GJZGRUSLSA-N 0 3 314.495 2.455 50 0 DEAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000248111819 402582967 /nfs/dbraw/zinc/58/29/67/402582967.db2.gz HJPZSLYYOLMWRU-INMHGKMJSA-N 0 3 300.402 2.075 50 0 DEAAHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCCC1 ZINC000190419114 402599883 /nfs/dbraw/zinc/59/98/83/402599883.db2.gz INDYWDPIQVHVOE-KRWDZBQOSA-N 0 3 317.433 2.083 50 0 DEAAHN C[C@@H]1CC[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)O1 ZINC000248725442 402605505 /nfs/dbraw/zinc/60/55/05/402605505.db2.gz CSYUIERJZHNKDN-HDEZJCGLSA-N 0 3 302.418 2.191 50 0 DEAAHN CCN1CCC[C@@H]1CNC(=O)CCc1cccc(OC)c1F ZINC000252483433 402654949 /nfs/dbraw/zinc/65/49/49/402654949.db2.gz FBNVARZQIDFMNS-CQSZACIVSA-N 0 3 308.397 2.367 50 0 DEAAHN O=S1(=O)CCC[C@H](N[C@H]2CCCC[C@H]2OC2CCCC2)C1 ZINC000253370049 402663032 /nfs/dbraw/zinc/66/30/32/402663032.db2.gz LGYBTJVCSSNMBT-CWRNSKLLSA-N 0 3 315.479 2.424 50 0 DEAAHN CCn1ncc(CN2C[C@@H](c3ccncc3)[C@H](COC)C2)c1C ZINC000253402915 402663632 /nfs/dbraw/zinc/66/36/32/402663632.db2.gz GTSNJRZOWHHLGP-ROUUACIJSA-N 0 3 314.433 2.468 50 0 DEAAHN O[C@H](CN1CCC(CNc2cnccn2)CC1)c1ccccc1 ZINC000253429532 402666532 /nfs/dbraw/zinc/66/65/32/402666532.db2.gz SXGQAUCGCWYVJL-QGZVFWFLSA-N 0 3 312.417 2.334 50 0 DEAAHN C[C@H]1CN(CCC2CCN(c3ncc(F)cn3)CC2)C[C@H](C)O1 ZINC000253432666 402667230 /nfs/dbraw/zinc/66/72/30/402667230.db2.gz MHEUNQYJEXDNCF-KBPBESRZSA-N 0 3 322.428 2.331 50 0 DEAAHN C[C@@H]1C[C@H]1c1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)o1 ZINC000278803942 402873113 /nfs/dbraw/zinc/87/31/13/402873113.db2.gz XWPFKDUKERZXJR-UOJCXKCYSA-N 0 3 315.417 2.344 50 0 DEAAHN C[C@]1(O)CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000271009005 403253377 /nfs/dbraw/zinc/25/33/77/403253377.db2.gz WXNQQNMNSJVWIK-IBGZPJMESA-N 0 3 316.445 2.272 50 0 DEAAHN COCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000079358321 292275529 /nfs/dbraw/zinc/27/55/29/292275529.db2.gz AWGNOBHWBBSXCR-QAPCUYQASA-N 0 3 320.433 2.231 50 0 DEAAHN C[C@@H](C(=O)Nc1ccc(F)cc1)N(C)CCCc1nccn1C ZINC000299764396 403568156 /nfs/dbraw/zinc/56/81/56/403568156.db2.gz SIYPXKTWCWYLIZ-ZDUSSCGKSA-N 0 3 318.396 2.451 50 0 DEAAHN Cc1cncnc1C1CCN(C(=O)[C@H]2CCCCCN2C)CC1 ZINC000299760774 403568300 /nfs/dbraw/zinc/56/83/00/403568300.db2.gz JXSAGBPWCKCZDE-MRXNPFEDSA-N 0 3 316.449 2.365 50 0 DEAAHN Cc1ccc(CCC(=O)NCCN2CCC(CO)CC2)cc1C ZINC000299765404 403569105 /nfs/dbraw/zinc/56/91/05/403569105.db2.gz APXJPCQHEIIPPD-UHFFFAOYSA-N 0 3 318.461 2.057 50 0 DEAAHN CSCCN1CCC(NC(=O)C[C@@H](C)n2ccnc2C)CC1 ZINC000299784056 403574321 /nfs/dbraw/zinc/57/43/21/403574321.db2.gz FLQNORFZWOPTTI-CYBMUJFWSA-N 0 3 324.494 2.086 50 0 DEAAHN CN(Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)CNCCO2 ZINC000299800315 403578326 /nfs/dbraw/zinc/57/83/26/403578326.db2.gz VVHXIOBAMOCWHS-UHFFFAOYSA-N 0 3 312.417 2.401 50 0 DEAAHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CCCCC1 ZINC000369651824 404179436 /nfs/dbraw/zinc/17/94/36/404179436.db2.gz ALYWZRVZVLCBHX-AWEZNQCLSA-N 0 3 309.454 2.214 50 0 DEAAHN Nc1ccncc1-c1ccc(C(=O)NCC[C@H]2CCOC2)cc1 ZINC000426504647 405365365 /nfs/dbraw/zinc/36/53/65/405365365.db2.gz UJBYWFOTFVWMNP-ZDUSSCGKSA-N 0 3 311.385 2.318 50 0 DEAAHN COc1cccc(C)c1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000585118177 405870867 /nfs/dbraw/zinc/87/08/67/405870867.db2.gz FYWZDJYUWBEVJV-KBPBESRZSA-N 0 3 311.447 2.449 50 0 DEAAHN C[C@H](C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)N(C)C ZINC000585121252 405872808 /nfs/dbraw/zinc/87/28/08/405872808.db2.gz KCUHULZTYZKEGF-HZPDHXFCSA-N 0 3 303.450 2.060 50 0 DEAAHN Cn1cc([C@@](C)(O)CNCc2ccsc2C(F)(F)F)cn1 ZINC000527666658 406711037 /nfs/dbraw/zinc/71/10/37/406711037.db2.gz UNPBMCRDHOZDCO-LBPRGKRZSA-N 0 3 319.352 2.498 50 0 DEAAHN C[C@@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)n1cccn1 ZINC000642181759 406915130 /nfs/dbraw/zinc/91/51/30/406915130.db2.gz SOUQLLRERXIUMZ-AWEZNQCLSA-N 0 3 316.405 2.160 50 0 DEAAHN CN(C)CCn1nccc1NC(=O)N[C@H]1CC12CCCCC2 ZINC000296777356 226223067 /nfs/dbraw/zinc/22/30/67/226223067.db2.gz FBDDRXRUDRCAOD-ZDUSSCGKSA-N 0 3 305.426 2.289 50 0 DEAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H]1CCCO1 ZINC000044892559 424813937 /nfs/dbraw/zinc/81/39/37/424813937.db2.gz ULNYLIVWTBWNRX-UONOGXRCSA-N 0 3 323.462 2.363 50 0 DEAAHN Cc1cn2nc(N[C@H]3CCN(CCSC(C)C)C3)ccc2n1 ZINC000408518942 424934352 /nfs/dbraw/zinc/93/43/52/424934352.db2.gz LQDBBZJOFOQWDF-AWEZNQCLSA-N 0 3 319.478 2.666 50 0 DEAAHN CCN(Cc1cc(=O)c(OC)c[nH]1)C[C@H](O)c1cccc(O)c1 ZINC000244633148 424886432 /nfs/dbraw/zinc/88/64/32/424886432.db2.gz FXOWUQIVPXMXAQ-INIZCTEOSA-N 0 3 318.373 2.057 50 0 DEAAHN C[C@H](CN1CCC(C)CC1)OC(=O)[C@@H]1COc2ccccc2O1 ZINC000000808193 274484472 /nfs/dbraw/zinc/48/44/72/274484472.db2.gz RUYJYMWKKRHAKJ-PBHICJAKSA-N 0 3 319.401 2.490 50 0 DEAAHN CN1c2ccccc2C2(CCN(C[C@@H]3CCCO3)CC2)C1=O ZINC000072162019 277217414 /nfs/dbraw/zinc/21/74/14/277217414.db2.gz OOPPXSFLXWOISH-AWEZNQCLSA-N 0 3 300.402 2.176 50 0 DEAAHN CC(C)(C)NC(=O)NC(=O)CN[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000095941227 278365589 /nfs/dbraw/zinc/36/55/89/278365589.db2.gz CQMRRQROJZABKU-UWVGGRQHSA-N 0 3 323.359 2.321 50 0 DEAAHN Cc1ccc([C@@H](CNC(=O)c2cc(C)nc(C)n2)N(C)C)cc1 ZINC000299781837 280946129 /nfs/dbraw/zinc/94/61/29/280946129.db2.gz FHQRVMHQHPARHU-QGZVFWFLSA-N 0 3 312.417 2.435 50 0 DEAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cnccn2)C1 ZINC000244594228 281392093 /nfs/dbraw/zinc/39/20/93/281392093.db2.gz DISPUJNZZBVBAK-HNNXBMFYSA-N 0 3 310.401 2.004 50 0 DEAAHN CN(C)C[C@@](C)(O)CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000153132606 289204176 /nfs/dbraw/zinc/20/41/76/289204176.db2.gz ZATQQUSZODUPII-AHCQMBGYSA-N 0 3 322.493 2.412 50 0 DEAAHN CN(C)C[C@](C)(O)CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000225446213 289219511 /nfs/dbraw/zinc/21/95/11/289219511.db2.gz ZATQQUSZODUPII-BQQQGOAYSA-N 0 3 322.493 2.412 50 0 DEAAHN CC(C(=O)N1CCC[C@@H]1CCc1ccccc1)S(C)(=O)=O ZINC000083888692 298032351 /nfs/dbraw/zinc/03/23/51/298032351.db2.gz SDMGIRLWUGLFOZ-UKRRQHHQSA-N 0 3 309.431 2.043 50 0 DEAAHN Cc1cnn(C[C@@H]2CCCN2CC[S@@](=O)c2ccccc2)c1 ZINC000199513346 526264333 /nfs/dbraw/zinc/26/43/33/526264333.db2.gz MYSXUYSOOXTAIO-KSFYIVLOSA-N 0 3 317.458 2.464 50 0 DEAAHN CN(C)Cc1ccc(CNS(=O)(=O)CC2CCCC2)cc1 ZINC000357199356 536010884 /nfs/dbraw/zinc/01/08/84/536010884.db2.gz CDTICIWHWKJSCT-UHFFFAOYSA-N 0 3 310.463 2.358 50 0 DEAAHN CN(C)C(=O)c1ccc(CN[C@@H]2CCc3ccccc3OC2)[nH]1 ZINC000374545647 536100343 /nfs/dbraw/zinc/10/03/43/536100343.db2.gz YDQVIRQTBKDBAH-OAHLLOKOSA-N 0 3 313.401 2.200 50 0 DEAAHN CN(C)C(=O)c1ccc(CN[C@H]2CCc3ccccc3OC2)[nH]1 ZINC000374545646 536100655 /nfs/dbraw/zinc/10/06/55/536100655.db2.gz YDQVIRQTBKDBAH-HNNXBMFYSA-N 0 3 313.401 2.200 50 0 DEAAHN CC[C@@H](O)CN1CCN(Cc2cc(C)nc3ccccc23)CC1 ZINC000174085172 646790749 /nfs/dbraw/zinc/79/07/49/646790749.db2.gz QXXAQNQKMMBDEX-QGZVFWFLSA-N 0 3 313.445 2.432 50 0 DEAAHN CC(C)CN1CCO[C@H](CCNC(=O)c2ccccc2C#N)C1 ZINC000067689192 683924655 /nfs/dbraw/zinc/92/46/55/683924655.db2.gz VAFXLOCKKGSUOT-MRXNPFEDSA-N 0 3 315.417 2.035 50 0 DEAAHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc[nH]c1 ZINC000192228701 684445026 /nfs/dbraw/zinc/44/50/26/684445026.db2.gz TXNBLKVGMZRSLX-KRWDZBQOSA-N 0 3 313.401 2.036 50 0 DEAAHN COc1ccc2c(c1)c(CN1CC[C@]3(CCC(=O)N3)C1)cn2C ZINC000675016950 778335062 /nfs/dbraw/zinc/33/50/62/778335062.db2.gz IFVBTYLULNSDNA-GOSISDBHSA-N 0 3 313.401 2.041 50 0 DEAAHN O=C(NCC1CCN(Cc2ccsc2)CC1)c1cncnc1 ZINC000828202271 783763752 /nfs/dbraw/zinc/76/37/52/783763752.db2.gz VXECEAISQPXVMD-UHFFFAOYSA-N 0 3 316.430 2.180 50 0 DEAAHN O=C(CCN1CCC(c2nnco2)CC1)Nc1cccc(F)c1 ZINC000585116035 789702722 /nfs/dbraw/zinc/70/27/22/789702722.db2.gz FCCKTRDBYCKPAN-UHFFFAOYSA-N 0 3 318.352 2.417 50 0 DEAAHN COc1cc2c(cc1CNCCSc1nc[nH]n1)CCC2 ZINC000952869418 792786432 /nfs/dbraw/zinc/78/64/32/792786432.db2.gz SILWLIAVRYFDAH-UHFFFAOYSA-N 0 3 304.419 2.184 50 0 DEAAHN Cc1csc2c1ncnc2NCCN1CCC[C@@H](CO)C1 ZINC000952872568 792790881 /nfs/dbraw/zinc/79/08/81/792790881.db2.gz PKZGVHNZUOKINH-GFCCVEGCSA-N 0 3 306.435 2.116 50 0 DEAAHN COc1ccc2[nH]c(CNc3cc(N)nc(SC)n3)nc2c1 ZINC001529112896 1070861937 /nfs/dbraw/zinc/86/19/37/1070861937.db2.gz VEORBHGAURRTGM-UHFFFAOYSA-N 0 3 316.390 2.278 50 0 DEAAHN Cc1nncn1CCN1CCC([C@@H](O)c2cccs2)CC1 ZINC001529173675 1070903148 /nfs/dbraw/zinc/90/31/48/1070903148.db2.gz OCJPXRHRDNWTNV-OAHLLOKOSA-N 0 3 306.435 2.094 50 0 DEAAHN C[C@@H](O)c1nc2cc(NC(=O)CN(C)C3CCCC3)ccc2[nH]1 ZINC001506407508 1061947258 /nfs/dbraw/zinc/94/72/58/1061947258.db2.gz WRVUDZDQUOLQRN-LLVKDONJSA-N 0 3 316.405 2.429 50 0 DEAAHN OC[C@H]1CCCCN1CCNc1cccc(C(F)(F)F)n1 ZINC001506422792 1061967480 /nfs/dbraw/zinc/96/74/80/1061967480.db2.gz UTVZVOUUSMXFST-LLVKDONJSA-N 0 3 303.328 2.359 50 0 DEAAHN O[C@H]1CN(CCC(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000095498221 185374251 /nfs/dbraw/zinc/37/42/51/185374251.db2.gz FITZXUPHWDCHQG-AWEZNQCLSA-N 0 3 302.340 2.118 50 0 DEAAHN O=C1OCCN1CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000078922718 185128918 /nfs/dbraw/zinc/12/89/18/185128918.db2.gz JXFORNBUZUYNMS-UHFFFAOYSA-N 0 3 314.389 2.195 50 0 DEAAHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCC(=O)NC(C)(C)C ZINC000088676993 185262025 /nfs/dbraw/zinc/26/20/25/185262025.db2.gz GAZOWKBLCQQIGJ-HOCLYGCPSA-N 0 3 303.450 2.011 50 0 DEAAHN CC[C@H]1CCCC[C@H]1NC(=O)NCCN1CCC(OC)CC1 ZINC000089948266 185270745 /nfs/dbraw/zinc/27/07/45/185270745.db2.gz MUJPOKXODISERW-GOEBONIOSA-N 0 3 311.470 2.365 50 0 DEAAHN CCC1(CNC(=O)NC2CCN(CCN(C)C)CC2)CCCC1 ZINC000089948185 185270753 /nfs/dbraw/zinc/27/07/53/185270753.db2.gz JHKBRWAQBUYLKE-UHFFFAOYSA-N 0 3 324.513 2.282 50 0 DEAAHN COC(=O)N1CC[C@@H](NCc2cc(F)cc3cccnc32)C1 ZINC000095415519 185358879 /nfs/dbraw/zinc/35/88/79/185358879.db2.gz SWOHSNVJCBGZOS-CQSZACIVSA-N 0 3 303.337 2.304 50 0 DEAAHN CCN1CCC[C@H]1CNC(=O)CCc1ccc2c(c1)CCO2 ZINC000095472318 185372558 /nfs/dbraw/zinc/37/25/58/185372558.db2.gz BKAPTTHKMCFGGT-INIZCTEOSA-N 0 3 302.418 2.155 50 0 DEAAHN CCOc1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1OC ZINC000084810552 539399293 /nfs/dbraw/zinc/39/92/93/539399293.db2.gz OPMQAHURBBTMAP-MRXNPFEDSA-N 0 3 320.433 2.442 50 0 DEAAHN C[C@@H](Cn1ccnc1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000067878506 190730690 /nfs/dbraw/zinc/73/06/90/190730690.db2.gz WNBPIDRKAWNFFW-HNNXBMFYSA-N 0 3 312.417 2.297 50 0 DEAAHN COCCN1CCC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000072151138 191055474 /nfs/dbraw/zinc/05/54/74/191055474.db2.gz CRCOXRKMVSUBEZ-SFHVURJKSA-N 0 3 302.418 2.261 50 0 DEAAHN COc1ccc(CN2CCC[C@]3(CNC(=O)O3)CC2)cc1OC ZINC000072154591 191058571 /nfs/dbraw/zinc/05/85/71/191058571.db2.gz HUWFCHNSMUYKKT-QGZVFWFLSA-N 0 3 320.389 2.168 50 0 DEAAHN C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1cccc(F)c1)CC2 ZINC000072171491 191069402 /nfs/dbraw/zinc/06/94/02/191069402.db2.gz BJUGUOXFVYMLQD-OAHLLOKOSA-N 0 3 306.381 2.197 50 0 DEAAHN C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1cccc(F)c1)CC2 ZINC000072171491 191069405 /nfs/dbraw/zinc/06/94/05/191069405.db2.gz BJUGUOXFVYMLQD-OAHLLOKOSA-N 0 3 306.381 2.197 50 0 DEAAHN C[C@H](C(=O)N1CCC[C@H](c2cc[nH]n2)C1)N1CCCCCC1 ZINC000072300274 191113682 /nfs/dbraw/zinc/11/36/82/191113682.db2.gz QCZCSETZUUFKJX-CABCVRRESA-N 0 3 304.438 2.380 50 0 DEAAHN Cc1ncc2c(c1CNC(=O)c1cccc(N(C)C)c1)CCNC2 ZINC000072423887 191159781 /nfs/dbraw/zinc/15/97/81/191159781.db2.gz QSFQKPAQVQEOOI-UHFFFAOYSA-N 0 3 324.428 2.032 50 0 DEAAHN Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCN1CCCC1 ZINC000004163780 181080491 /nfs/dbraw/zinc/08/04/91/181080491.db2.gz MFIPTRYHNPUUOQ-UHFFFAOYSA-N 0 3 313.401 2.261 50 0 DEAAHN c1cn(-c2ccc(CN3CCC[C@@H]3Cn3cncn3)cc2)cn1 ZINC000069620986 354871179 /nfs/dbraw/zinc/87/11/79/354871179.db2.gz KTUGQWKFRSSGGU-QGZVFWFLSA-N 0 3 308.389 2.128 50 0 DEAAHN CC(C)(C)c1n[nH]cc1CNC[C@@H]1CCCN1c1cccnn1 ZINC000071877230 354897973 /nfs/dbraw/zinc/89/79/73/354897973.db2.gz QALBIVKBDWALDT-AWEZNQCLSA-N 0 3 314.437 2.256 50 0 DEAAHN COC(=O)CC1(NC(=O)CC2=CCCCC2)CCN(C)CC1 ZINC000079013337 355291519 /nfs/dbraw/zinc/29/15/19/355291519.db2.gz UHGLUPSWVVTOGQ-UHFFFAOYSA-N 0 3 308.422 2.021 50 0 DEAAHN C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc2c1OCO2 ZINC000078898505 355284413 /nfs/dbraw/zinc/28/44/13/355284413.db2.gz CHTZXUVZYVCDIJ-DOMZBBRYSA-N 0 3 316.401 2.152 50 0 DEAAHN COc1cccc2cc([C@@H](C)NC(=O)[C@@]3(F)CCNC3)oc21 ZINC000170677398 355990916 /nfs/dbraw/zinc/99/09/16/355990916.db2.gz RKGGOGWMRNQJJR-QLJPJBMISA-N 0 3 306.337 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C[C@H](NC(=O)CN1CCN(C2CCCC2)CC1)c1ccco1 ZINC000027119350 401843982 /nfs/dbraw/zinc/84/39/82/401843982.db2.gz PULQVNMCFJYUHL-AWEZNQCLSA-N 0 3 305.422 2.017 50 0 DEAAHN CCOCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000079358328 401872375 /nfs/dbraw/zinc/87/23/75/401872375.db2.gz XWDWXNZQJZEXRQ-CRAIPNDOSA-N 0 3 320.433 2.231 50 0 DEAAHN CS(=O)(=O)c1ccc(OCCNCc2cccc(F)c2)cc1 ZINC000078602403 401857744 /nfs/dbraw/zinc/85/77/44/401857744.db2.gz IJONQBSQGKTBTK-UHFFFAOYSA-N 0 3 323.389 2.398 50 0 DEAAHN CCN(Cc1ccn(C)c(=O)c1)C[C@H]1COc2ccccc2O1 ZINC000042112785 401931331 /nfs/dbraw/zinc/93/13/31/401931331.db2.gz DKNYAPFKBDVRRQ-HNNXBMFYSA-N 0 3 314.385 2.047 50 0 DEAAHN CN(C)CCOc1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000031814958 401874087 /nfs/dbraw/zinc/87/40/87/401874087.db2.gz SBWNSAZSXIRUNP-UHFFFAOYSA-N 0 3 317.418 2.158 50 0 DEAAHN C[C@H]1C[C@@H](NC(=O)c2csnn2)CCN1Cc1ccccc1 ZINC000079553368 401876255 /nfs/dbraw/zinc/87/62/55/401876255.db2.gz AKCLFBJKTPVXLD-JSGCOSHPSA-N 0 3 316.430 2.321 50 0 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DEAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(C(C)=O)cc1)C2 ZINC000095358445 402027836 /nfs/dbraw/zinc/02/78/36/402027836.db2.gz TVYHZOUXOHEBAI-PKOBYXMFSA-N 0 3 316.445 2.432 50 0 DEAAHN Cc1noc2ncnc(N(C)C[C@@H]3Cc4ccccc4CN3C)c12 ZINC000095359143 402027976 /nfs/dbraw/zinc/02/79/76/402027976.db2.gz YCCJARGNEKQHHG-HNNXBMFYSA-N 0 3 323.400 2.419 50 0 DEAAHN O=C(NCC1(O)CCC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000095399580 402031863 /nfs/dbraw/zinc/03/18/63/402031863.db2.gz XTANMNAUGQGUND-INIZCTEOSA-N 0 3 317.433 2.038 50 0 DEAAHN COC(=O)c1ccc(NC(=O)NCCN2CCCCC2)cc1F ZINC000121450562 402036876 /nfs/dbraw/zinc/03/68/76/402036876.db2.gz SHWMSDBEVAJJRD-UHFFFAOYSA-N 0 3 323.368 2.220 50 0 DEAAHN O[C@@H]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000095982442 402042313 /nfs/dbraw/zinc/04/23/13/402042313.db2.gz OVEFJYPBEJJFCL-CYBMUJFWSA-N 0 3 311.307 2.458 50 0 DEAAHN CC[C@@H]1Oc2cc([C@H](C)NCCn3cccn3)ccc2NC1=O ZINC000095985458 402042922 /nfs/dbraw/zinc/04/29/22/402042922.db2.gz NAQYSBSSCLVLEC-WFASDCNBSA-N 0 3 314.389 2.343 50 0 DEAAHN C[C@@H](Nc1cnn(CCN(C)C)c1)c1ccc2c(c1)OCO2 ZINC000095991182 402044007 /nfs/dbraw/zinc/04/40/07/402044007.db2.gz AERQYQFZLHIGCA-GFCCVEGCSA-N 0 3 302.378 2.347 50 0 DEAAHN Cc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)n1 ZINC000096011625 402046704 /nfs/dbraw/zinc/04/67/04/402046704.db2.gz QOMOUCCLBDSIAD-AWEZNQCLSA-N 0 3 306.406 2.113 50 0 DEAAHN C[C@H]1CCCCN1CCNC(=O)c1cn(C)nc1C(F)(F)F ZINC000053030841 402050204 /nfs/dbraw/zinc/05/02/04/402050204.db2.gz QCVPPIFSHSPQRG-JTQLQIEISA-N 0 3 318.343 2.043 50 0 DEAAHN COCCN1CCC(NC(=O)/C=C(\C)c2ccc(F)cc2)CC1 ZINC000096402385 402077863 /nfs/dbraw/zinc/07/78/63/402077863.db2.gz CMWRSAXLDBQJCV-BUHFOSPRSA-N 0 3 320.408 2.456 50 0 DEAAHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc2c(c1)OCO2 ZINC000055400701 402081188 /nfs/dbraw/zinc/08/11/88/402081188.db2.gz UGQVJTIKUXFGOB-QWHCGFSZSA-N 0 3 304.390 2.266 50 0 DEAAHN CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H](O)c1ccccc1 ZINC000096449131 402089617 /nfs/dbraw/zinc/08/96/17/402089617.db2.gz 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/nfs/dbraw/zinc/13/01/59/402130159.db2.gz XYISCYWSLRFFQW-MNOVXSKESA-N 0 3 302.403 2.105 50 0 DEAAHN O[C@@H]1CCC[C@H]1NCc1cc(Br)cc2c1OCC2 ZINC000097377852 402123241 /nfs/dbraw/zinc/12/32/41/402123241.db2.gz LMYUDBMDBBUSOU-CHWSQXEVSA-N 0 3 312.207 2.387 50 0 DEAAHN O[C@H]1CCC[C@@H]1NCc1cc(Br)cc2c1OCC2 ZINC000097377851 402123611 /nfs/dbraw/zinc/12/36/11/402123611.db2.gz LMYUDBMDBBUSOU-STQMWFEESA-N 0 3 312.207 2.387 50 0 DEAAHN C=Cn1cc(CN2CC[C@]3(C2)CCCN(C(=O)C(C)C)C3)cn1 ZINC000067935447 402179309 /nfs/dbraw/zinc/17/93/09/402179309.db2.gz GKQYBDCUKLQKEY-SFHVURJKSA-N 0 3 316.449 2.454 50 0 DEAAHN COCCN1CC[C@@H](CNC(=O)Nc2cc(C)ccc2F)C1 ZINC000068525770 402200853 /nfs/dbraw/zinc/20/08/53/402200853.db2.gz ABZVXFKOANHNPZ-ZDUSSCGKSA-N 0 3 309.385 2.224 50 0 DEAAHN O=C(NC[C@H]1CCCN(Cc2ccco2)C1)c1[nH]ncc1Cl ZINC000067446841 402159972 /nfs/dbraw/zinc/15/99/72/402159972.db2.gz YUIDDCAYXVVVKK-LLVKDONJSA-N 0 3 322.796 2.298 50 0 DEAAHN CCC(F)(F)C(=O)NC[C@H]1CCN(Cc2cccc(C)n2)C1 ZINC000067674860 402166964 /nfs/dbraw/zinc/16/69/64/402166964.db2.gz WRLHZDXTLCYTQM-CYBMUJFWSA-N 0 3 311.376 2.373 50 0 DEAAHN CN(C[C@H](c1cccs1)N1CCOCC1)C[C@H]1CCOC1 ZINC000107048682 402225264 /nfs/dbraw/zinc/22/52/64/402225264.db2.gz KOENWAFJYQYRER-HUUCEWRRSA-N 0 3 310.463 2.090 50 0 DEAAHN CCc1nnc2n1C[C@@H](CNCc1nc3ccccc3o1)CC2 ZINC000069665017 402237740 /nfs/dbraw/zinc/23/77/40/402237740.db2.gz ZFPFBIRDFLXTSJ-GFCCVEGCSA-N 0 3 311.389 2.334 50 0 DEAAHN Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)NCCc2cccs2)c1 ZINC000069709390 402240424 /nfs/dbraw/zinc/24/04/24/402240424.db2.gz WWGZJFCYYBRJOM-KGLIPLIRSA-N 0 3 320.462 2.151 50 0 DEAAHN C[C@@H](O)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000069814763 402245292 /nfs/dbraw/zinc/24/52/92/402245292.db2.gz OEBBOPMILCDQHA-CJNGLKHVSA-N 0 3 308.397 2.019 50 0 DEAAHN C[C@H](O)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000069814761 402245374 /nfs/dbraw/zinc/24/53/74/402245374.db2.gz OEBBOPMILCDQHA-BBRMVZONSA-N 0 3 308.397 2.019 50 0 DEAAHN O[C@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1F ZINC000069843230 402246718 /nfs/dbraw/zinc/24/67/18/402246718.db2.gz OKHJMLGXRAAVNG-BLLLJJGKSA-N 0 3 322.359 2.002 50 0 DEAAHN CS[C@H](C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000069893569 402249852 /nfs/dbraw/zinc/24/98/52/402249852.db2.gz FYLABFSQSMEYMC-CYBMUJFWSA-N 0 3 322.474 2.011 50 0 DEAAHN Cc1nc2n(n1)C[C@H](NCc1c[nH]nc1-c1ccc(C)cc1)CC2 ZINC000069927968 402251615 /nfs/dbraw/zinc/25/16/15/402251615.db2.gz WYBVIKLENPKYCR-MRXNPFEDSA-N 0 3 322.416 2.390 50 0 DEAAHN CN(C)C[C@@H]1CN(Cc2ccc(Br)s2)CCO1 ZINC000069969761 402253244 /nfs/dbraw/zinc/25/32/44/402253244.db2.gz PKSFDUBGQXVZPF-SNVBAGLBSA-N 0 3 319.268 2.273 50 0 DEAAHN Cc1cnn(CCNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000070004933 402254151 /nfs/dbraw/zinc/25/41/51/402254151.db2.gz AAUWGWMCHDQKGP-UHFFFAOYSA-N 0 3 307.781 2.406 50 0 DEAAHN C[C@H](NCC1(Sc2ccccc2)CCCC1)C(=O)NC(N)=O ZINC000068951667 402210463 /nfs/dbraw/zinc/21/04/63/402210463.db2.gz PVECQKMXFWBOCP-LBPRGKRZSA-N 0 3 321.446 2.265 50 0 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/nfs/dbraw/zinc/34/33/87/402343387.db2.gz XFEVZUCYLKSXKN-XJKSGUPXSA-N 0 3 311.385 2.353 50 0 DEAAHN COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000229804204 402344592 /nfs/dbraw/zinc/34/45/92/402344592.db2.gz WSSLODVWLBAHSB-BPQIPLTHSA-N 0 3 314.429 2.495 50 0 DEAAHN C[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@@H]1N1CCOCC1 ZINC000177256784 402386311 /nfs/dbraw/zinc/38/63/11/402386311.db2.gz CMAXOQKUNZLWQA-BEFAXECRSA-N 0 3 311.429 2.387 50 0 DEAAHN Cc1cccc(NC(=O)CN2CC[C@@H]3CC[C@H](C2)N3C)c1C ZINC000244899840 402451577 /nfs/dbraw/zinc/45/15/77/402451577.db2.gz ZRIWNZPDNBPPDM-JKSUJKDBSA-N 0 3 301.434 2.410 50 0 DEAAHN O[C@@H](CN1CCCC[C@H]1Cn1cncn1)c1ccc(F)c(F)c1 ZINC000247765956 402575739 /nfs/dbraw/zinc/57/57/39/402575739.db2.gz KOBCCIXLWGCROF-BBRMVZONSA-N 0 3 322.359 2.144 50 0 DEAAHN O=C1Nc2ccccc2CC[C@@H]1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000248805450 402608725 /nfs/dbraw/zinc/60/87/25/402608725.db2.gz BJMPCMUFCGRQKS-PVAVHDDUSA-N 0 3 300.402 2.441 50 0 DEAAHN Cc1noc(C)c1CO[C@H]1CCN(CCO[C@H]2CCCCO2)C1 ZINC000252536300 402658411 /nfs/dbraw/zinc/65/84/11/402658411.db2.gz ICDFJUZQUFHAHU-RDJZCZTQSA-N 0 3 324.421 2.426 50 0 DEAAHN Cc1ccn(C(=O)C(C)S(C)(=O)=O)c(=NC2CCCCC2)c1 ZINC000252475249 402653832 /nfs/dbraw/zinc/65/38/32/402653832.db2.gz WUUAKIYWETZLHA-CYBMUJFWSA-N 0 3 324.446 2.103 50 0 DEAAHN COc1c2c(c(Br)c3c1CN(C)CC3)OCO2 ZINC000253410153 402664083 /nfs/dbraw/zinc/66/40/83/402664083.db2.gz MWWCCGFFDRZDMA-UHFFFAOYSA-N 0 3 300.152 2.174 50 0 biogenic DEAAHN CN(C)c1ccncc1CNc1cn(Cc2ccccc2)nn1 ZINC000253429904 402666368 /nfs/dbraw/zinc/66/63/68/402666368.db2.gz OTVRAQUKDUSKAG-UHFFFAOYSA-N 0 3 308.389 2.400 50 0 DEAAHN O=C1CCNCCC[C@@H](c2nc(-c3ccccc3)no2)CCN1 ZINC000257181880 402700525 /nfs/dbraw/zinc/70/05/25/402700525.db2.gz OBNLRTPRAQENLE-CQSZACIVSA-N 0 3 314.389 2.100 50 0 DEAAHN COCC(=O)N[C@@H]1CCC12CCN(Cc1ccc(C)o1)CC2 ZINC000257178057 402700748 /nfs/dbraw/zinc/70/07/48/402700748.db2.gz BNLFXLPIEYFQSM-OAHLLOKOSA-N 0 3 306.406 2.095 50 0 DEAAHN C[C@@H]1C[C@H](NC(=O)NOCc2ccc(F)cc2)CN1C1CC1 ZINC000183707864 402790523 /nfs/dbraw/zinc/79/05/23/402790523.db2.gz NQDCTUFIEAHUDT-RISCZKNCSA-N 0 3 307.369 2.182 50 0 DEAAHN CN(C(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1)C1CC1 ZINC000195531564 402850634 /nfs/dbraw/zinc/85/06/34/402850634.db2.gz KNLZAKPDHVNUHH-DLBZAZTESA-N 0 3 302.418 2.195 50 0 DEAAHN Cc1cc(C(=O)NCCCN2CCC(O)CC2)ccc1Cl ZINC000195538916 402850815 /nfs/dbraw/zinc/85/08/15/402850815.db2.gz VIVKLCJGZIAIQL-UHFFFAOYSA-N 0 3 310.825 2.225 50 0 DEAAHN CC[C@@H](NC1CCN(CC(=O)N(C)C)CC1)c1ccccc1F ZINC000195553559 402850871 /nfs/dbraw/zinc/85/08/71/402850871.db2.gz SZYVYLSRIOGDGH-QGZVFWFLSA-N 0 3 321.440 2.419 50 0 DEAAHN COc1ccc2[nH]c(CNC(=O)[C@H]3CCCCCN3C)nc2c1 ZINC000299759635 403566779 /nfs/dbraw/zinc/56/67/79/403566779.db2.gz MIBNKYJJCICNSB-OAHLLOKOSA-N 0 3 316.405 2.062 50 0 DEAAHN COc1ccc2nc(CNC(=O)[C@H]3CCCCCN3C)[nH]c2c1 ZINC000299759635 403566783 /nfs/dbraw/zinc/56/67/83/403566783.db2.gz MIBNKYJJCICNSB-OAHLLOKOSA-N 0 3 316.405 2.062 50 0 DEAAHN COC(=O)c1cc(CN)cc(NC(=O)Cc2ccsc2)c1 ZINC000299789930 403576128 /nfs/dbraw/zinc/57/61/28/403576128.db2.gz AQVGQRKPFLGUIO-UHFFFAOYSA-N 0 3 304.371 2.175 50 0 DEAAHN COc1c(C)cnc(CN2CCC(c3nnc[nH]3)CC2)c1C ZINC000363367261 404156249 /nfs/dbraw/zinc/15/62/49/404156249.db2.gz QBEQYPITDQVSCP-UHFFFAOYSA-N 0 3 301.394 2.205 50 0 DEAAHN COc1c(C)cnc(CN2CCC(c3nc[nH]n3)CC2)c1C ZINC000363367261 404156256 /nfs/dbraw/zinc/15/62/56/404156256.db2.gz QBEQYPITDQVSCP-UHFFFAOYSA-N 0 3 301.394 2.205 50 0 DEAAHN NC1(c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)CCCC1 ZINC000434664055 404921545 /nfs/dbraw/zinc/92/15/45/404921545.db2.gz SEWKAHFBQONXDP-UHFFFAOYSA-N 0 3 323.443 2.186 50 0 DEAAHN CCN1CCC[C@H]1CNC(=O)N1CCc2cc(OC)ccc2C1 ZINC000426628101 405372354 /nfs/dbraw/zinc/37/23/54/405372354.db2.gz BDAATACWJVTFFH-INIZCTEOSA-N 0 3 317.433 2.247 50 0 DEAAHN Cc1nc2cc(CNC(=O)[C@@H](C)N3CCCCC3)ccc2[nH]1 ZINC000426739017 405376665 /nfs/dbraw/zinc/37/66/65/405376665.db2.gz HVZYKABGHZJXMQ-GFCCVEGCSA-N 0 3 300.406 2.362 50 0 DEAAHN Cc1nc2ccc(CNC(=O)[C@@H](C)N3CCCCC3)cc2[nH]1 ZINC000426739017 405376666 /nfs/dbraw/zinc/37/66/66/405376666.db2.gz HVZYKABGHZJXMQ-GFCCVEGCSA-N 0 3 300.406 2.362 50 0 DEAAHN C[C@@H](CN(CCO)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000492129153 405492343 /nfs/dbraw/zinc/49/23/43/405492343.db2.gz DBZDMZIFHJIJJK-AWEZNQCLSA-N 0 3 308.422 2.394 50 0 DEAAHN C[C@@H]1COCC[C@@H]1CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000527933611 406791468 /nfs/dbraw/zinc/79/14/68/406791468.db2.gz QZDUJUVLKXAEII-BFYDXBDKSA-N 0 3 323.481 2.365 50 0 DEAAHN C[C@H](O)CN1CCN(Cc2cc(F)cc3cccnc32)C[C@H]1C ZINC000246307425 225226044 /nfs/dbraw/zinc/22/60/44/225226044.db2.gz AECWMQUEOQLVCI-KGLIPLIRSA-N 0 3 317.408 2.261 50 0 DEAAHN O=C(CN1CC[C@H]2CCCC[C@H]2C1)NC(=O)NCc1ccco1 ZINC000252444084 225246325 /nfs/dbraw/zinc/24/63/25/225246325.db2.gz DEESLUCJZOYXNB-KGLIPLIRSA-N 0 3 319.405 2.118 50 0 DEAAHN CN(C)CC(C)(C)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000408520350 227240694 /nfs/dbraw/zinc/24/06/94/227240694.db2.gz AKLNXENEMSMWKE-UHFFFAOYSA-N 0 3 318.446 2.204 50 0 DEAAHN Cc1cccc(CNCCNS(=O)(=O)Cc2ccccc2)c1 ZINC000048275693 424832063 /nfs/dbraw/zinc/83/20/63/424832063.db2.gz PIGQYKPJGVJBRM-UHFFFAOYSA-N 0 3 318.442 2.204 50 0 DEAAHN COc1ccc2ccccc2c1CNC[C@H]1CCS(=O)(=O)C1 ZINC000044862848 424814263 /nfs/dbraw/zinc/81/42/63/424814263.db2.gz ZQWYKEQJSLXZGD-CYBMUJFWSA-N 0 3 319.426 2.373 50 0 DEAAHN CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000005497087 275548298 /nfs/dbraw/zinc/54/82/98/275548298.db2.gz AOJWGGYSYGHOGA-UHFFFAOYSA-N 0 3 316.854 2.493 50 0 DEAAHN CC(=O)Nc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000024801950 277070206 /nfs/dbraw/zinc/07/02/06/277070206.db2.gz REPSBMBDPPQIDF-ZDUSSCGKSA-N 0 3 303.406 2.249 50 0 DEAAHN C[C@@H](CN1CCC(C)CC1)OC(=O)[C@H]1COc2ccccc2O1 ZINC000000808192 278250980 /nfs/dbraw/zinc/25/09/80/278250980.db2.gz RUYJYMWKKRHAKJ-WMLDXEAASA-N 0 3 319.401 2.490 50 0 DEAAHN Cc1cnc(N2CC[C@H](OCCN3CCCCC3)C2)nc1C ZINC000095978586 279016328 /nfs/dbraw/zinc/01/63/28/279016328.db2.gz ZDYDHKDFKFINHU-INIZCTEOSA-N 0 3 304.438 2.175 50 0 DEAAHN CC1(C)C[C@@H](N[C@H]2CCCN(CC(F)(F)F)C2=O)C(C)(C)O1 ZINC000090591500 281319643 /nfs/dbraw/zinc/31/96/43/281319643.db2.gz AULWJRZDRPHQQV-WDEREUQCSA-N 0 3 322.371 2.475 50 0 DEAAHN Cn1cc(SCC(=O)NC[C@@H]2C[C@H](F)CN2)c2ccccc21 ZINC000082157651 294271928 /nfs/dbraw/zinc/27/19/28/294271928.db2.gz KGSMCAVYSRWVLT-RYUDHWBXSA-N 0 3 321.421 2.087 50 0 DEAAHN C[C@@H](NCCN(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000025562445 337354783 /nfs/dbraw/zinc/35/47/83/337354783.db2.gz LDIRTDKJPJGEMH-SECBINFHSA-N 0 3 304.221 2.472 50 0 DEAAHN C[C@@H]1CN(CCCN2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000328588552 534461908 /nfs/dbraw/zinc/46/19/08/534461908.db2.gz IHHSQJRUTDVLGN-FDCRZUCXSA-N 0 3 322.493 2.375 50 0 DEAAHN CCn1nnc(C)c1CN[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000449251693 535917359 /nfs/dbraw/zinc/91/73/59/535917359.db2.gz SIHLEJZJSWGITA-WMLDXEAASA-N 0 3 301.438 2.387 50 0 DEAAHN Nc1n[nH]c([C@@H]2CCCN(C[C@@H]3CCC4(CCCC4)O3)C2)n1 ZINC000888096315 635529832 /nfs/dbraw/zinc/52/98/32/635529832.db2.gz ALTIPFSYZLATNM-OLZOCXBDSA-N 0 3 305.426 2.058 50 0 DEAAHN CCCN1CCN([C@H]2CCc3ccc(OC)cc3C2)CCC1=O ZINC000012212684 636056074 /nfs/dbraw/zinc/05/60/74/636056074.db2.gz NXXRXNAEKOBFFF-KRWDZBQOSA-N 0 3 316.445 2.497 50 0 DEAAHN CCCc1nc(C)c(CNc2nc(N)nc3c2CCNC3)s1 ZINC000067677250 683925066 /nfs/dbraw/zinc/92/50/66/683925066.db2.gz MJLJRAWSWPSAOH-UHFFFAOYSA-N 0 3 318.450 2.034 50 0 DEAAHN Cc1nc[nH]c1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000067856718 683925612 /nfs/dbraw/zinc/92/56/12/683925612.db2.gz AIUOZYTWDCBKJO-ZDUSSCGKSA-N 0 3 316.380 2.109 50 0 DEAAHN Cc1nc2n(n1)C[C@@H](NCc1ccc3c(c1)CC(C)(C)O3)CC2 ZINC000072274445 282116692 /nfs/dbraw/zinc/11/66/92/282116692.db2.gz JNDVJNISBWBONX-HNNXBMFYSA-N 0 3 312.417 2.405 50 0 DEAAHN C[C@H](CC(=O)c1ccccc1F)C(=O)N(C)C[C@H]1CCN(C)C1 ZINC000078932511 185130677 /nfs/dbraw/zinc/13/06/77/185130677.db2.gz FPMCHUIGXNGACX-KGLIPLIRSA-N 0 3 320.408 2.445 50 0 DEAAHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(F)c1 ZINC000095419610 185360075 /nfs/dbraw/zinc/36/00/75/185360075.db2.gz MQBZUUKCAYIVPN-RKDXNWHRSA-N 0 3 307.337 2.189 50 0 DEAAHN CN1CCN2CCN(Cc3c(F)ccc(Cl)c3F)C[C@H]2C1 ZINC000244574913 529779056 /nfs/dbraw/zinc/77/90/56/529779056.db2.gz CTIRBSGQHYSKHE-LLVKDONJSA-N 0 3 315.795 2.050 50 0 DEAAHN COc1ccc2oc(CNC[C@H]3CN4CCC[C@@H]4CO3)cc2c1 ZINC000095448656 185368485 /nfs/dbraw/zinc/36/84/85/185368485.db2.gz LMXCSVHOAPXFTI-PBHICJAKSA-N 0 3 316.401 2.394 50 0 DEAAHN CC[C@H](NC[C@H]1CCCn2ccnc21)C(=O)Nc1cc(C)on1 ZINC000084718746 539398057 /nfs/dbraw/zinc/39/80/57/539398057.db2.gz ROVCGQJFOOAQSK-OLZOCXBDSA-N 0 3 317.393 2.064 50 0 DEAAHN COC1CCN(CCN[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091368297 539419216 /nfs/dbraw/zinc/41/92/16/539419216.db2.gz XIRAWBHGUPFDLK-CQSZACIVSA-N 0 3 316.449 2.335 50 0 DEAAHN CC(C)(C)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CNCCO1 ZINC000170048913 539614055 /nfs/dbraw/zinc/61/40/55/539614055.db2.gz MLWSPGLAMSJSOO-CVEARBPZSA-N 0 3 304.434 2.139 50 0 DEAAHN COc1cccc(CN2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)c1 ZINC000072135149 191045781 /nfs/dbraw/zinc/04/57/81/191045781.db2.gz DSPVYRAJLIPPSY-INIZCTEOSA-N 0 3 318.417 2.066 50 0 DEAAHN COc1cccc(CN2CCC3(C[C@@H](C(=O)[O-])[N@@H+](C)C3)CC2)c1 ZINC000072135149 191045782 /nfs/dbraw/zinc/04/57/82/191045782.db2.gz DSPVYRAJLIPPSY-INIZCTEOSA-N 0 3 318.417 2.066 50 0 DEAAHN c1c(CN2CC[C@@H](Cc3ccccc3)C2)nn2c1CNCCC2 ZINC000072158334 191061290 /nfs/dbraw/zinc/06/12/90/191061290.db2.gz BTOYRODTUBUQBA-KRWDZBQOSA-N 0 3 310.445 2.441 50 0 DEAAHN COc1cccc([C@H]2CCCCN2CCCn2cnnn2)c1 ZINC000072168895 191068253 /nfs/dbraw/zinc/06/82/53/191068253.db2.gz OQWUCBJSQBMVEU-MRXNPFEDSA-N 0 3 301.394 2.299 50 0 DEAAHN C[C@@H]1CCCCN1C(=O)CN1CCN(CC2CCCC2)CC1 ZINC000072282574 191102996 /nfs/dbraw/zinc/10/29/96/191102996.db2.gz NWKDOFICEWQDCO-MRXNPFEDSA-N 0 3 307.482 2.195 50 0 DEAAHN COC(=O)c1ccc(CN2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183842234 186223601 /nfs/dbraw/zinc/22/36/01/186223601.db2.gz QCUPXOJQHCAKED-INIZCTEOSA-N 0 3 319.401 2.448 50 0 DEAAHN CCN(C1CCN(C[C@H](C)CC(C)C)CC1)S(C)(=O)=O ZINC000225627876 186284286 /nfs/dbraw/zinc/28/42/86/186284286.db2.gz NKGIKXWXBQFWDQ-CQSZACIVSA-N 0 3 304.500 2.415 50 0 DEAAHN COc1ccccc1CCN[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000033848622 354160186 /nfs/dbraw/zinc/16/01/86/354160186.db2.gz CQCAAWDBRXNGTD-INIZCTEOSA-N 0 3 324.380 2.159 50 0 DEAAHN O[C@H](COc1ccc(Br)cc1)CN1CCCC1 ZINC000004279524 181091313 /nfs/dbraw/zinc/09/13/13/181091313.db2.gz OQSXCVMASFIVFI-LBPRGKRZSA-N 0 3 300.196 2.285 50 0 DEAAHN CCc1nnc(-c2nnc(NCCN(C)C)c3ccccc32)o1 ZINC000065258193 354680594 /nfs/dbraw/zinc/68/05/94/354680594.db2.gz FNNPJDSOFJIDSJ-UHFFFAOYSA-N 0 3 312.377 2.216 50 0 DEAAHN C[C@H]1CN([C@@H](CNCc2cnn(C)c2)c2cccs2)CCO1 ZINC000075603985 355095856 /nfs/dbraw/zinc/09/58/56/355095856.db2.gz JGGXLAIJZLWVOC-ZFWWWQNUSA-N 0 3 320.462 2.033 50 0 DEAAHN CN(Cc1cccs1)C(=O)CN(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000078972724 355288659 /nfs/dbraw/zinc/28/86/59/355288659.db2.gz AWYDFFOZFZVTJI-BMFZPTHFSA-N 0 3 322.474 2.452 50 0 DEAAHN CCC(=O)N1CC[C@@H](NCc2cccc3c2OCCO3)[C@H](C)C1 ZINC000078897370 355284072 /nfs/dbraw/zinc/28/40/72/355284072.db2.gz ZCMOUTXKNIWPPL-UKRRQHHQSA-N 0 3 318.417 2.194 50 0 DEAAHN O=C(CCN1CCC(c2nnc[nH]2)CC1)Nc1cccc(F)c1 ZINC000083443374 355467627 /nfs/dbraw/zinc/46/76/27/355467627.db2.gz BXRBPNGWVPBZBJ-UHFFFAOYSA-N 0 3 317.368 2.152 50 0 DEAAHN Cc1cc([C@H]2CCCN(C(=O)CCCn3ccnc3C)C2)n[nH]1 ZINC000089598981 355537741 /nfs/dbraw/zinc/53/77/41/355537741.db2.gz XMEJGGALTFTTQJ-HNNXBMFYSA-N 0 3 315.421 2.409 50 0 DEAAHN N[C@H](C(=O)N1CCC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000167770858 355977912 /nfs/dbraw/zinc/97/79/12/355977912.db2.gz QYDGHQIHFIUTIT-IRXDYDNUSA-N 0 3 301.434 2.163 50 0 DEAAHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(Br)o2)C1 ZINC000170607104 355989123 /nfs/dbraw/zinc/98/91/23/355989123.db2.gz SUDCHSGYTNJRPR-LLVKDONJSA-N 0 3 315.211 2.342 50 0 DEAAHN COC(=O)CN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000035139422 291083910 /nfs/dbraw/zinc/08/39/10/291083910.db2.gz YLVVXQJSXVMLSL-BVIKNXMNSA-N 0 3 304.434 2.054 50 0 biogenic DEAAHN O=C(Cc1cc(F)ccc1F)Nc1cnc2c(c1)CNCC2 ZINC000195549181 356256183 /nfs/dbraw/zinc/25/61/83/356256183.db2.gz WDYPEAFVABULKY-UHFFFAOYSA-N 0 3 303.312 2.187 50 0 DEAAHN OC[C@@H]1CCc2ccccc2[C@H]1NCCO[C@@H]1CCCCO1 ZINC000225533141 356276389 /nfs/dbraw/zinc/27/63/89/356276389.db2.gz CYTMOLJXGMPHCA-JQHSSLGASA-N 0 3 305.418 2.415 50 0 DEAAHN C[C@H](COc1ccc(F)cc1)N[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000253369453 356336376 /nfs/dbraw/zinc/33/63/76/356336376.db2.gz CTNSFKGWXASQTM-KCPJHIHWSA-N 0 3 315.410 2.148 50 0 DEAAHN CCOC(=O)N1CC[C@@H](NCc2nc3ccc(F)cc3[nH]2)C1 ZINC000584897585 357329683 /nfs/dbraw/zinc/32/96/83/357329683.db2.gz DHMWKSJHMVULJV-LLVKDONJSA-N 0 3 306.341 2.022 50 0 DEAAHN CC[C@@H]1Oc2cc([C@@H](C)NCCn3ccnc3)ccc2NC1=O ZINC000180008934 199106399 /nfs/dbraw/zinc/10/63/99/199106399.db2.gz SMWFFOCAXFAWKG-DOMZBBRYSA-N 0 3 314.389 2.343 50 0 DEAAHN CCc1n[nH]c(C(=O)NCCCNc2ccc(C)cn2)c1C ZINC000670435250 540932596 /nfs/dbraw/zinc/93/25/96/540932596.db2.gz GFGRIQCJKFLFHW-UHFFFAOYSA-N 0 3 301.394 2.216 50 0 DEAAHN Cc1nc(C)c(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)o1 ZINC000670446675 540934520 /nfs/dbraw/zinc/93/45/20/540934520.db2.gz QVURHSPUINLMGW-OAHLLOKOSA-N 0 3 321.421 2.008 50 0 DEAAHN CC1(CN2CCCN(C(=O)c3ccoc3)CC2)CCOCC1 ZINC000670444908 540934813 /nfs/dbraw/zinc/93/48/13/540934813.db2.gz DTBQLGVRBQHGGJ-UHFFFAOYSA-N 0 3 306.406 2.244 50 0 DEAAHN Cc1nn(CCO)cc1CN1CCC(Cc2cccnc2)CC1 ZINC000670455063 540936140 /nfs/dbraw/zinc/93/61/40/540936140.db2.gz LCHPQDCDLLYGGP-UHFFFAOYSA-N 0 3 314.433 2.034 50 0 DEAAHN CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000195237605 201364894 /nfs/dbraw/zinc/36/48/94/201364894.db2.gz RXCTYZKFXNSTRR-OWCLPIDISA-N 0 3 305.397 2.417 50 0 DEAAHN Cc1ccc2[nH]c(CNC[C@H](O)c3ccc(O)cc3)cc(=O)c2c1 ZINC000091365322 193046246 /nfs/dbraw/zinc/04/62/46/193046246.db2.gz RAZVCORBPDDIOF-IBGZPJMESA-N 0 3 324.380 2.365 50 0 DEAAHN COc1ccc2c(C)c(C(=O)NC[C@@H]3C[C@H](F)CN3)oc2c1 ZINC000091691203 193092604 /nfs/dbraw/zinc/09/26/04/193092604.db2.gz HJWHNNRYCDUSOG-QWRGUYRKSA-N 0 3 306.337 2.180 50 0 DEAAHN CSc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1 ZINC000219991297 201568709 /nfs/dbraw/zinc/56/87/09/201568709.db2.gz ZDOJIPWDWKICNP-HOTGVXAUSA-N 0 3 320.458 2.080 50 0 DEAAHN N[C@@H]1CN(C(=O)Cc2noc3ccccc32)C[C@H]1c1ccccc1 ZINC000262117928 203204193 /nfs/dbraw/zinc/20/41/93/203204193.db2.gz BSAJHOWGGRDBTM-JKSUJKDBSA-N 0 3 321.380 2.324 50 0 DEAAHN COCCOc1ccccc1CNC[C@@H]1COC2(CCCC2)O1 ZINC000095983811 193476867 /nfs/dbraw/zinc/47/68/67/193476867.db2.gz JJQFXKRNIFRQTI-MRXNPFEDSA-N 0 3 321.417 2.487 50 0 DEAAHN Cc1cccnc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000271704658 209140782 /nfs/dbraw/zinc/14/07/82/209140782.db2.gz QRTONMBORNUCOJ-UHFFFAOYSA-N 0 3 310.401 2.431 50 0 DEAAHN O[C@@H](COc1c(Cl)cccc1Cl)CN1CCC[C@@H](O)C1 ZINC000016046597 182030653 /nfs/dbraw/zinc/03/06/53/182030653.db2.gz YPHSGVJIEGYQJL-GHMZBOCLSA-N 0 3 320.216 2.190 50 0 DEAAHN CCN1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000019371170 182119674 /nfs/dbraw/zinc/11/96/74/182119674.db2.gz TTXBPVDVCMPYNI-UHFFFAOYSA-N 0 3 312.413 2.419 50 0 DEAAHN CC(C)CN1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1CCO ZINC000019839786 182155568 /nfs/dbraw/zinc/15/55/68/182155568.db2.gz LHQIKDJTGWBAJB-HNNXBMFYSA-N 0 3 312.404 2.489 50 0 DEAAHN CCN(CC)CCn1cnc2c([nH]c3cccc(OC)c32)c1=O ZINC000020438589 182217814 /nfs/dbraw/zinc/21/78/14/182217814.db2.gz BNUMUFVSIVTFJR-UHFFFAOYSA-N 0 3 314.389 2.228 50 0 DEAAHN CCc1ccc(C(=O)NCC2CCN(CCOC)CC2)cc1 ZINC000023014125 182344637 /nfs/dbraw/zinc/34/46/37/182344637.db2.gz ZQNDLDVFYULQTH-UHFFFAOYSA-N 0 3 304.434 2.337 50 0 DEAAHN CC(C)CN1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000040466231 183072632 /nfs/dbraw/zinc/07/26/32/183072632.db2.gz QNXNYEHVYSMPNJ-CQSZACIVSA-N 0 3 314.433 2.258 50 0 DEAAHN CCc1cccc(NC(=O)NCCCN2CCN(C)CC2)c1 ZINC000040477746 183076211 /nfs/dbraw/zinc/07/62/11/183076211.db2.gz RVXWLHFFRJFWNF-UHFFFAOYSA-N 0 3 304.438 2.008 50 0 DEAAHN NC(=O)c1ccc(CN(C[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000040496588 183081275 /nfs/dbraw/zinc/08/12/75/183081275.db2.gz JCWHYCGMOVMABC-SFHVURJKSA-N 0 3 310.397 2.484 50 0 DEAAHN Cc1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)cc1F ZINC000040526061 183092134 /nfs/dbraw/zinc/09/21/34/183092134.db2.gz OKCNVNUAIPTIDE-AWEZNQCLSA-N 0 3 309.385 2.102 50 0 DEAAHN C[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)N1CCCC1 ZINC000040652939 183114213 /nfs/dbraw/zinc/11/42/13/183114213.db2.gz IRGHJYMIUPPLPK-CQSZACIVSA-N 0 3 315.417 2.028 50 0 DEAAHN CN(C)[C@@H](CNc1ncnc2nc[nH]c21)c1ccc(F)cc1 ZINC000041025958 183157735 /nfs/dbraw/zinc/15/77/35/183157735.db2.gz LICBZPBRBYPGSZ-LBPRGKRZSA-N 0 3 300.341 2.207 50 0 DEAAHN Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)c(C)c1 ZINC000041362257 183186519 /nfs/dbraw/zinc/18/65/19/183186519.db2.gz UXUUZQZMRSMZSB-UHFFFAOYSA-N 0 3 303.450 2.061 50 0 DEAAHN CCN1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000042205874 183242417 /nfs/dbraw/zinc/24/24/17/183242417.db2.gz JMFWUNDKHQUVTE-UHFFFAOYSA-N 0 3 313.239 2.465 50 0 DEAAHN CN1CCC(O)([C@H](c2ccccc2)n2nnc3ccccc32)CC1 ZINC000043190803 183343387 /nfs/dbraw/zinc/34/33/87/183343387.db2.gz JQQXNHXJOYEISC-SFHVURJKSA-N 0 3 322.412 2.477 50 0 DEAAHN CCCc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000106517049 194222973 /nfs/dbraw/zinc/22/29/73/194222973.db2.gz GACSVNMHFVFEFH-IRXDYDNUSA-N 0 3 302.418 2.232 50 0 DEAAHN O=C(Cc1ccc2ccccc2c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000106577533 194231768 /nfs/dbraw/zinc/23/17/68/194231768.db2.gz BLNKRMQBTDWLTD-OALUTQOASA-N 0 3 324.424 2.362 50 0 DEAAHN CCn1cnnc1CCNCC(=O)Nc1ccc(Cl)c(C)c1 ZINC000065370321 184329327 /nfs/dbraw/zinc/32/93/27/184329327.db2.gz ASMIHQPJNZCEHK-UHFFFAOYSA-N 0 3 321.812 2.031 50 0 DEAAHN C[C@H](COc1ccccc1)NCCn1ncc2ccccc2c1=O ZINC000065371354 184329696 /nfs/dbraw/zinc/32/96/96/184329696.db2.gz OZHQJGAJIGVSLX-OAHLLOKOSA-N 0 3 323.396 2.454 50 0 DEAAHN CC[C@H](O)Cn1cc(C2=CCN(CCn3cccc3)CC2)cn1 ZINC000065426758 184342779 /nfs/dbraw/zinc/34/27/79/184342779.db2.gz NYSKJPSLNXNZBC-SFHVURJKSA-N 0 3 314.433 2.245 50 0 DEAAHN NC(=O)c1cccc(CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000065457874 184348352 /nfs/dbraw/zinc/34/83/52/184348352.db2.gz QMDQIWOEDZTMMA-OAHLLOKOSA-N 0 3 310.401 2.115 50 0 DEAAHN CCc1ccnc(NC(=O)c2ccc(CN(C)CCO)cc2)c1 ZINC000065490298 184353852 /nfs/dbraw/zinc/35/38/52/184353852.db2.gz UOWHHZCVOSPULP-UHFFFAOYSA-N 0 3 313.401 2.320 50 0 DEAAHN Cc1n[nH]c(C)c1CNCc1ccccc1CN1CCOCC1 ZINC000065593160 184370243 /nfs/dbraw/zinc/37/02/43/184370243.db2.gz MWXCOAXPWBXNQS-UHFFFAOYSA-N 0 3 314.433 2.149 50 0 DEAAHN CCc1c(C(=O)N2CCC[C@@H](N(C)C)C2)cnn1C(C)(C)C ZINC000065494606 184355195 /nfs/dbraw/zinc/35/51/95/184355195.db2.gz DWDRPTWUHLFGOX-CYBMUJFWSA-N 0 3 306.454 2.367 50 0 DEAAHN COc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1C ZINC000065626566 184376167 /nfs/dbraw/zinc/37/61/67/184376167.db2.gz FVRKHZWDRZRDTL-INIZCTEOSA-N 0 3 320.433 2.186 50 0 DEAAHN CN1CCC(NC(=O)Nc2nc(-c3ccccc3)ns2)CC1 ZINC000065771920 184379580 /nfs/dbraw/zinc/37/95/80/184379580.db2.gz QBWILACOWOLDJA-UHFFFAOYSA-N 0 3 317.418 2.421 50 0 DEAAHN CN1CCC(Cc2noc(-c3ccccc3-n3cncn3)n2)CC1 ZINC000067934348 184491196 /nfs/dbraw/zinc/49/11/96/184491196.db2.gz GVRLREWDJJHXCY-UHFFFAOYSA-N 0 3 324.388 2.202 50 0 DEAAHN CCO[C@H]1C[C@H](N(C)Cc2cc(=O)n3ccccc3n2)C1(C)C ZINC000120721412 195224354 /nfs/dbraw/zinc/22/43/54/195224354.db2.gz VFUJJEPNCCIBBL-GJZGRUSLSA-N 0 3 315.417 2.330 50 0 DEAAHN C[C@@H]1C[C@@H](NC(=O)NCCC[C@H]2CCCCO2)CN1C1CC1 ZINC000241897169 533620394 /nfs/dbraw/zinc/62/03/94/533620394.db2.gz TWGJUYFDSQAGRT-IIAWOOMASA-N 0 3 309.454 2.260 50 0 DEAAHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2N[C@H](C)CO)cc1 ZINC000185113608 292185838 /nfs/dbraw/zinc/18/58/38/292185838.db2.gz WUQYTLBGOOQQMI-FVQBIDKESA-N 0 3 311.447 2.050 50 0 DEAAHN COCCCN1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000071867497 401689252 /nfs/dbraw/zinc/68/92/52/401689252.db2.gz CYKHNOBTMRYPED-UHFFFAOYSA-N 0 3 312.360 2.196 50 0 DEAAHN COC(=O)N1CCCN(CCCCCn2cc(C)cn2)CC1 ZINC000071897016 401694185 /nfs/dbraw/zinc/69/41/85/401694185.db2.gz 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/nfs/dbraw/zinc/77/05/14/401770514.db2.gz DNXHGOGUZMGKPU-UHFFFAOYSA-N 0 3 319.474 2.298 50 0 DEAAHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2C)C1 ZINC000012080501 401778702 /nfs/dbraw/zinc/77/87/02/401778702.db2.gz IKTWWBOPIQJMLJ-JKSUJKDBSA-N 0 3 321.417 2.010 50 0 DEAAHN COc1ccc(Cl)cc1NC(=O)CCN1CCC(O)CC1 ZINC000012900338 401793427 /nfs/dbraw/zinc/79/34/27/401793427.db2.gz JHHWQEQQBYQPJF-UHFFFAOYSA-N 0 3 312.797 2.134 50 0 DEAAHN C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012999259 401795385 /nfs/dbraw/zinc/79/53/85/401795385.db2.gz VEHBORBQHMXYCI-PXAZEXFGSA-N 0 3 323.396 2.390 50 0 DEAAHN COc1ccc(CCN[C@H](C(N)=O)c2ccccc2)cc1OC ZINC000026163427 401839347 /nfs/dbraw/zinc/83/93/47/401839347.db2.gz HLKHITYTLFAIBB-KRWDZBQOSA-N 0 3 314.385 2.063 50 0 DEAAHN CCN1CCC(NC(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000029607244 401857462 /nfs/dbraw/zinc/85/74/62/401857462.db2.gz ANSPAJVBVVPDQH-UHFFFAOYSA-N 0 3 324.808 2.325 50 0 DEAAHN CCN1CCC(NC(=O)c2cncc(Br)c2)CC1 ZINC000029606698 401857489 /nfs/dbraw/zinc/85/74/89/401857489.db2.gz BCXCTUOKAWKOQU-UHFFFAOYSA-N 0 3 312.211 2.058 50 0 DEAAHN C[C@@H]1CN(C)CCN1CC1CCN(C(=O)CC2CCCC2)CC1 ZINC000085468101 401916787 /nfs/dbraw/zinc/91/67/87/401916787.db2.gz ANWKGKXDMDSXKG-MRXNPFEDSA-N 0 3 321.509 2.441 50 0 DEAAHN Cc1ccc(NC(=O)N(CCN(C)C)CC(C)C)cc1C(N)=O ZINC000085582249 401917413 /nfs/dbraw/zinc/91/74/13/401917413.db2.gz XPKCPVNROLSFPI-UHFFFAOYSA-N 0 3 320.437 2.145 50 0 DEAAHN Cc1ccsc1CNC(=O)CN(CCO)C1CCCCC1 ZINC000089702036 401958194 /nfs/dbraw/zinc/95/81/94/401958194.db2.gz KHHDTFIAKHDVAX-UHFFFAOYSA-N 0 3 310.463 2.300 50 0 DEAAHN CN(C)CCOc1cccc(CNC(=O)Nc2nccs2)c1 ZINC000045814623 401962549 /nfs/dbraw/zinc/96/25/49/401962549.db2.gz CYHUHANKEDXHJI-UHFFFAOYSA-N 0 3 320.418 2.405 50 0 DEAAHN CC(C(=O)NC1CC1)S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000046106240 401966397 /nfs/dbraw/zinc/96/63/97/401966397.db2.gz DJCRYTQTCHZVMJ-QMMMGPOBSA-N 0 3 319.785 2.061 50 0 DEAAHN O=C(Nc1ccccn1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000089883855 401969861 /nfs/dbraw/zinc/96/98/61/401969861.db2.gz FXAYFCXDZYBLOR-OAHLLOKOSA-N 0 3 318.421 2.190 50 0 DEAAHN CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000089314040 401942104 /nfs/dbraw/zinc/94/21/04/401942104.db2.gz RXCTYZKFXNSTRR-BZUAXINKSA-N 0 3 305.397 2.417 50 0 DEAAHN CC1(C)NC(=O)N(CCN(Cc2ccco2)C2CCCC2)C1=O ZINC000048285639 401996897 /nfs/dbraw/zinc/99/68/97/401996897.db2.gz AXUFMQHFNBQJRN-UHFFFAOYSA-N 0 3 319.405 2.355 50 0 DEAAHN CN1C[C@@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1 ZINC000095387669 402031894 /nfs/dbraw/zinc/03/18/94/402031894.db2.gz NRLBWNSJIVJOTB-INIZCTEOSA-N 0 3 322.474 2.148 50 0 DEAAHN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H]2CCOC2)CC1 ZINC000095967701 402038607 /nfs/dbraw/zinc/03/86/07/402038607.db2.gz BJFQCHTWHAXRMT-GDBMZVCRSA-N 0 3 321.440 2.407 50 0 DEAAHN CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2C=CCN2)c1 ZINC000055042662 402074965 /nfs/dbraw/zinc/07/49/65/402074965.db2.gz TZOPPLUQGOHQMD-CYBMUJFWSA-N 0 3 321.808 2.289 50 0 DEAAHN 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1061959050 /nfs/dbraw/zinc/95/90/50/1061959050.db2.gz LDKZKUUIRKIMDC-GFCCVEGCSA-N 0 3 303.328 2.359 50 0 DEAAHN CC[C@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)N(C)CC ZINC000822555791 1090637776 /nfs/dbraw/zinc/63/77/76/1090637776.db2.gz NIWPCASBKZXMOL-MRXNPFEDSA-N 0 3 317.433 2.160 50 0 DEAAHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCCCC1 ZINC000079194190 185161170 /nfs/dbraw/zinc/16/11/70/185161170.db2.gz QYEFMQHDYHFVOM-UHFFFAOYSA-N 0 3 319.449 2.063 50 0 biogenic DEAAHN Cc1cc(N2CCC[C@H](c3nccn3CC3CC3)C2)nc(N)n1 ZINC000082109470 192357366 /nfs/dbraw/zinc/35/73/66/192357366.db2.gz DLTKUCCBHOMVAV-AWEZNQCLSA-N 0 3 312.421 2.358 50 0 DEAAHN CN(C)CCn1cc(Nc2ncnc3ccc(F)cc32)cn1 ZINC000092627928 185330498 /nfs/dbraw/zinc/33/04/98/185330498.db2.gz VUGMLQVQENIYHW-UHFFFAOYSA-N 0 3 300.341 2.271 50 0 DEAAHN CN1CCCCC[C@@H]1C(=O)NCCc1noc(C2CCCC2)n1 ZINC000095391404 185351626 /nfs/dbraw/zinc/35/16/26/185351626.db2.gz NRCCXONCGYMJNU-CQSZACIVSA-N 0 3 320.437 2.260 50 0 DEAAHN c1ccc(CN2CCO[C@@H]3CN(C[C@@H]4CCCCO4)C[C@@H]32)cc1 ZINC000095414097 185358376 /nfs/dbraw/zinc/35/83/76/185358376.db2.gz NTGQMHKEXXMLGL-GBESFXJTSA-N 0 3 316.445 2.141 50 0 DEAAHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(F)c1 ZINC000095419608 185360100 /nfs/dbraw/zinc/36/01/00/185360100.db2.gz MQBZUUKCAYIVPN-BDAKNGLRSA-N 0 3 307.337 2.189 50 0 DEAAHN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1N1CCOCC1)N(C)C ZINC000095450482 185368890 /nfs/dbraw/zinc/36/88/90/185368890.db2.gz HNCNIYNHULJZBC-HOCLYGCPSA-N 0 3 319.449 2.041 50 0 DEAAHN Cn1cc([C@@](C)(O)CN[C@@H]2CCCc3cc(F)ccc32)cn1 ZINC000097033361 185399717 /nfs/dbraw/zinc/39/97/17/185399717.db2.gz VHVUXDXJKBVCRA-SJORKVTESA-N 0 3 303.381 2.434 50 0 DEAAHN CCn1ccnc1CNCC1(CN2CCOCC2)CCCCC1 ZINC000083476675 539389373 /nfs/dbraw/zinc/38/93/73/539389373.db2.gz MAEXRUJFPULNSK-UHFFFAOYSA-N 0 3 320.481 2.275 50 0 DEAAHN CN(C)CCSCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000083851140 539390211 /nfs/dbraw/zinc/39/02/11/539390211.db2.gz NCWPZJSOUBXCLA-UHFFFAOYSA-N 0 3 307.375 2.260 50 0 DEAAHN Cc1cnc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)o1 ZINC000084258908 539394116 /nfs/dbraw/zinc/39/41/16/539394116.db2.gz QTHFHKARXLMVMK-INIZCTEOSA-N 0 3 300.406 2.127 50 0 DEAAHN CN(Cc1ccccc1Br)C(=O)[C@]1(F)CCNC1 ZINC000299738478 530001319 /nfs/dbraw/zinc/00/13/19/530001319.db2.gz BHMRIWYWMPMVBQ-ZDUSSCGKSA-N 0 3 315.186 2.109 50 0 DEAAHN COCc1nc2n(n1)C[C@H](N[C@@H]1CCCc3sccc31)CC2 ZINC000090394186 539415740 /nfs/dbraw/zinc/41/57/40/539415740.db2.gz OOARXHPVXQGOAA-DGCLKSJQSA-N 0 3 318.446 2.468 50 0 DEAAHN CN(C)C[C@H]1CN(Cc2ccc(F)c3cccnc23)CCO1 ZINC000072267646 191090485 /nfs/dbraw/zinc/09/04/85/191090485.db2.gz OBVUZMLNISAKOS-AWEZNQCLSA-N 0 3 303.381 2.136 50 0 DEAAHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCO[C@H]1C ZINC000253371010 186301811 /nfs/dbraw/zinc/30/18/11/186301811.db2.gz ZLHMPQHECKCFLB-OHFALNGGSA-N 0 3 302.418 2.048 50 0 DEAAHN C[C@@H](C(=O)NCc1nc2ccccc2n1C)N1CCCCCC1 ZINC000172013321 198025876 /nfs/dbraw/zinc/02/58/76/198025876.db2.gz 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/nfs/dbraw/zinc/15/68/33/181156833.db2.gz ZPUOKDVHZIOSSX-LLVKDONJSA-N 0 3 300.196 2.285 50 0 DEAAHN Cc1ccc(CN[C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)o1 ZINC000072300614 354900981 /nfs/dbraw/zinc/90/09/81/354900981.db2.gz IGDYIUBEGYDQHR-SWLSCSKDSA-N 0 3 314.451 2.126 50 0 DEAAHN CCc1nnc(NC(=O)C2Oc3ccccc3O[C@H]2C)s1 ZINC000004858604 181164684 /nfs/dbraw/zinc/16/46/84/181164684.db2.gz IQLVLROGVWUFAO-QPUJVOFHSA-N 0 3 305.359 2.268 50 0 DEAAHN CN1CCC(CCO)(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000075103916 355068867 /nfs/dbraw/zinc/06/88/67/355068867.db2.gz AZGWPEPJIIARDX-UHFFFAOYSA-N 0 3 311.813 2.308 50 0 DEAAHN CC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1N(C)C ZINC000089948489 355549726 /nfs/dbraw/zinc/54/97/26/355549726.db2.gz DNSBWNOWDTWGRV-OCCSQVGLSA-N 0 3 314.385 2.205 50 0 DEAAHN CCN1CCCC[C@H]1CNC(=O)N[C@H](C)Cn1nc(C)cc1C ZINC000110585407 355742876 /nfs/dbraw/zinc/74/28/76/355742876.db2.gz JZIBAORNXFOYJW-ZBFHGGJFSA-N 0 3 321.469 2.062 50 0 DEAAHN O[C@@H](CN1CCC2(CC1)OCCO2)c1c[nH]c2ccccc21 ZINC000005196928 181215617 /nfs/dbraw/zinc/21/56/17/181215617.db2.gz WSMXPTAQMGYPBR-INIZCTEOSA-N 0 3 302.374 2.040 50 0 DEAAHN Cc1ncsc1CN1CCC[C@H](c2[nH]ccc2C(N)=O)C1 ZINC000169789284 355983780 /nfs/dbraw/zinc/98/37/80/355983780.db2.gz NOTFCFITQPZPFM-NSHDSACASA-N 0 3 304.419 2.258 50 0 DEAAHN CN1CCO[C@@H](CNCc2ccc(Cl)c3cccnc23)C1 ZINC000078783610 191931703 /nfs/dbraw/zinc/93/17/03/191931703.db2.gz CUPNPRMSLXAWKQ-ZDUSSCGKSA-N 0 3 305.809 2.308 50 0 DEAAHN NC(=O)[C@H]1CCCCC[C@@H]1NCc1ccc(N2CCCC2)nc1 ZINC000195562110 356257026 /nfs/dbraw/zinc/25/70/26/356257026.db2.gz YPOJENVNYYGTRV-HOTGVXAUSA-N 0 3 316.449 2.206 50 0 DEAAHN CCC[C@H](N)C(=O)N1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000195554651 356257203 /nfs/dbraw/zinc/25/72/03/356257203.db2.gz BXOVQEQOKPUOIQ-STQMWFEESA-N 0 3 311.813 2.232 50 0 DEAAHN COCCN(C)c1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cn1 ZINC000248809626 356325158 /nfs/dbraw/zinc/32/51/58/356325158.db2.gz CIUOTKMFCOEOGG-SJORKVTESA-N 0 3 319.449 2.165 50 0 DEAAHN Cc1cc(=O)[nH]c([C@@H](C)N2CCC[C@@H](Cc3nccn3C)C2)n1 ZINC000248773424 356325310 /nfs/dbraw/zinc/32/53/10/356325310.db2.gz TYQXQHYUTYIBQH-KGLIPLIRSA-N 0 3 315.421 2.240 50 0 DEAAHN O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCCNCC1 ZINC000237897181 202382887 /nfs/dbraw/zinc/38/28/87/202382887.db2.gz POEJAVYGPKKTDP-UHFFFAOYSA-N 0 3 318.808 2.020 50 0 DEAAHN NC(=O)C[C@@H](NCc1ccc(Cl)cc1F)C1CCOCC1 ZINC000189187484 200360943 /nfs/dbraw/zinc/36/09/43/200360943.db2.gz NJRCAOTYRFBTSY-CQSZACIVSA-N 0 3 314.788 2.239 50 0 DEAAHN Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](C(N)=O)C2)cc1C ZINC000006025308 181307059 /nfs/dbraw/zinc/30/70/59/181307059.db2.gz QVDGCHLWYSRQHY-OAHLLOKOSA-N 0 3 312.417 2.391 50 0 DEAAHN Cc1nc(C)c(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)o1 ZINC000670446674 540934514 /nfs/dbraw/zinc/93/45/14/540934514.db2.gz QVURHSPUINLMGW-HNNXBMFYSA-N 0 3 321.421 2.008 50 0 DEAAHN CN(C)[C@@H](CNc1nnnn1-c1ccccc1)c1ccccc1 ZINC000006541484 181352602 /nfs/dbraw/zinc/35/26/02/181352602.db2.gz YFWSLKAVAYQRRE-INIZCTEOSA-N 0 3 308.389 2.377 50 0 DEAAHN Cc1c(C)n(-c2cccnc2)c2ncn(CCCN(C)C)c(=N)c12 ZINC000006671901 181368661 /nfs/dbraw/zinc/36/86/61/181368661.db2.gz ZFMHFTHKZPKVCV-UHFFFAOYSA-N 0 3 324.432 2.270 50 0 DEAAHN CC(C)Oc1ccc(NC(=O)C[C@H]2CNCCO2)cc1Cl ZINC000091300261 193034866 /nfs/dbraw/zinc/03/48/66/193034866.db2.gz USHDHPAFLAAJOX-LBPRGKRZSA-N 0 3 312.797 2.444 50 0 DEAAHN Cc1cc(C[C@H](C)[NH2+]Cc2cc(=O)c3cccc(F)c3[n-]2)[nH]n1 ZINC000091475731 193060945 /nfs/dbraw/zinc/06/09/45/193060945.db2.gz PPUADYZIGCOYOF-JTQLQIEISA-N 0 3 314.364 2.420 50 0 DEAAHN CCC[C@H]1CN(C(C)=O)C[C@@H]1NC(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000091950582 193130764 /nfs/dbraw/zinc/13/07/64/193130764.db2.gz AWGTWPMYAQIECK-FSDCSDTHSA-N 0 3 323.481 2.013 50 0 DEAAHN CNCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000092062144 193150932 /nfs/dbraw/zinc/15/09/32/193150932.db2.gz OHRGTERLMIHTLB-HNNXBMFYSA-N 0 3 312.417 2.221 50 0 DEAAHN COc1ccccc1OCCCN(C)c1cc(C)nc(N)n1 ZINC000092106978 193160659 /nfs/dbraw/zinc/16/06/59/193160659.db2.gz QPNGOKONCHHKMO-UHFFFAOYSA-N 0 3 302.378 2.281 50 0 DEAAHN CCC(CC)(CCO)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000282448253 217002777 /nfs/dbraw/zinc/00/27/77/217002777.db2.gz LQTPGHXNERKXJL-CQSZACIVSA-N 0 3 320.433 2.331 50 0 DEAAHN CN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019205190 182107575 /nfs/dbraw/zinc/10/75/75/182107575.db2.gz LWQWUEGBUXNATO-MRXNPFEDSA-N 0 3 323.440 2.403 50 0 DEAAHN CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccc2)c1C ZINC000097636529 193741563 /nfs/dbraw/zinc/74/15/63/193741563.db2.gz OUVZUKQACBOGKW-UHFFFAOYSA-N 0 3 314.433 2.485 50 0 DEAAHN CC(C)(C)CN1CCN(Cc2ccc(O)cc2)C[C@@H]1CCO ZINC000020449658 182218525 /nfs/dbraw/zinc/21/85/25/182218525.db2.gz UQMONCGXMBYCDD-INIZCTEOSA-N 0 3 306.450 2.307 50 0 DEAAHN COCCN1CCC(CNC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000023127920 182349435 /nfs/dbraw/zinc/34/94/35/182349435.db2.gz KJSTVCBHPVNGRB-UHFFFAOYSA-N 0 3 324.852 2.357 50 0 DEAAHN CC[C@@H](C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000040115242 183037190 /nfs/dbraw/zinc/03/71/90/183037190.db2.gz 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/nfs/dbraw/zinc/11/40/26/402114026.db2.gz HGAKGFYEAMEUMC-MRXNPFEDSA-N 0 3 310.401 2.375 50 0 DEAAHN Cc1nnc2n1C[C@@H](NCc1cnc(C(C)(C)C)s1)CC2 ZINC000097199381 402115355 /nfs/dbraw/zinc/11/53/55/402115355.db2.gz WMKFBOACPFABRF-NSHDSACASA-N 0 3 305.451 2.445 50 0 DEAAHN Cc1ccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)cc1F ZINC000096162791 402064004 /nfs/dbraw/zinc/06/40/04/402064004.db2.gz KFOYMHFNLNGAJD-QGZVFWFLSA-N 0 3 323.412 2.302 50 0 DEAAHN CN1CCC(NC(=O)c2ccc(N3CCCCC3=O)cc2)CC1 ZINC000054460091 402067998 /nfs/dbraw/zinc/06/79/98/402067998.db2.gz FUQFVRAZNPBLLF-UHFFFAOYSA-N 0 3 315.417 2.028 50 0 DEAAHN Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCCO3)CC2)o1 ZINC000097447062 402125822 /nfs/dbraw/zinc/12/58/22/402125822.db2.gz IGIUGYKVANLJFN-KRWDZBQOSA-N 0 3 320.433 2.485 50 0 DEAAHN O[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1N1CCCC1 ZINC000097759268 402132737 /nfs/dbraw/zinc/13/27/37/402132737.db2.gz HPUWQAWZFKZAFV-GJZGRUSLSA-N 0 3 314.351 2.346 50 0 DEAAHN Cc1cccc2nc(C(=O)N3CCCC[C@@H]3CN(C)C)cn21 ZINC000066948790 402147396 /nfs/dbraw/zinc/14/73/96/402147396.db2.gz BAJKSWLJKRRYTG-CQSZACIVSA-N 0 3 300.406 2.199 50 0 DEAAHN Cc1ccc([C@H](CNC(=O)[C@H](C)n2ccnc2)N(C)C)cc1 ZINC000067266998 402155629 /nfs/dbraw/zinc/15/56/29/402155629.db2.gz QPVVNSMHCSKXLX-HOCLYGCPSA-N 0 3 300.406 2.172 50 0 DEAAHN O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)c1[nH]ncc1Cl ZINC000067446842 402159673 /nfs/dbraw/zinc/15/96/73/402159673.db2.gz YUIDDCAYXVVVKK-NSHDSACASA-N 0 3 322.796 2.298 50 0 DEAAHN CN1CCC2(CC1)CCCN(C(=O)C(=O)c1ccco1)CC2 ZINC000067654991 402166654 /nfs/dbraw/zinc/16/66/54/402166654.db2.gz NGKVJXDAXUBSJQ-UHFFFAOYSA-N 0 3 304.390 2.187 50 0 DEAAHN CCC(F)(F)C(=O)NC[C@@H]1CCN(Cc2cccc(C)n2)C1 ZINC000067674859 402167243 /nfs/dbraw/zinc/16/72/43/402167243.db2.gz WRLHZDXTLCYTQM-ZDUSSCGKSA-N 0 3 311.376 2.373 50 0 DEAAHN CSc1ccc2cc(CN3CCC[C@H](CO)C3)c(=O)[nH]c2c1 ZINC000067754885 402171260 /nfs/dbraw/zinc/17/12/60/402171260.db2.gz CMLMRJCMMMGRBJ-LBPRGKRZSA-N 0 3 318.442 2.454 50 0 DEAAHN Cc1cc(C(=O)NC[C@H]2CCN(C)C2)c2cnn(C(C)C)c2n1 ZINC000067742455 402171333 /nfs/dbraw/zinc/17/13/33/402171333.db2.gz BYIQIZQUCPHFRL-CYBMUJFWSA-N 0 3 315.421 2.002 50 0 DEAAHN CN1CCC(Cc2noc([C@@H](O)Cc3ccccc3)n2)CC1 ZINC000067804709 402173308 /nfs/dbraw/zinc/17/33/08/402173308.db2.gz OKTUKVZOFYAAHZ-HNNXBMFYSA-N 0 3 301.390 2.230 50 0 DEAAHN COCc1cc(CNc2cc(C)nc(N3CCCCC3)n2)n[nH]1 ZINC000067872682 402177126 /nfs/dbraw/zinc/17/71/26/402177126.db2.gz CILYIUAYBAOSPC-UHFFFAOYSA-N 0 3 316.409 2.257 50 0 DEAAHN COCCN(C)CCCNC(=O)Cc1ccccc1OC(C)C ZINC000069417441 402222510 /nfs/dbraw/zinc/22/25/10/402222510.db2.gz BFQHNBLZRQGGTJ-UHFFFAOYSA-N 0 3 322.449 2.101 50 0 DEAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1noc2ccccc21 ZINC000069490840 402226449 /nfs/dbraw/zinc/22/64/49/402226449.db2.gz CVHBREBOXANRNP-CVEARBPZSA-N 0 3 313.401 2.456 50 0 DEAAHN CC(C(=O)N[C@H](C)Cc1ccc2ccccc2c1)S(C)(=O)=O ZINC000069514884 402227902 /nfs/dbraw/zinc/22/79/02/402227902.db2.gz TZVMBFYVYZFZGZ-OLZOCXBDSA-N 0 3 319.426 2.320 50 0 DEAAHN CC(C(=O)N[C@H](C)Cc1ccc2ccccc2c1)S(C)(=O)=O ZINC000069514876 402227937 /nfs/dbraw/zinc/22/79/37/402227937.db2.gz TZVMBFYVYZFZGZ-CHWSQXEVSA-N 0 3 319.426 2.320 50 0 DEAAHN Cc1noc(C)c1CNC[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000069588747 402232979 /nfs/dbraw/zinc/23/29/79/402232979.db2.gz APMMNKBXSDOIBW-CYBMUJFWSA-N 0 3 303.410 2.359 50 0 DEAAHN Cc1sc2nc(C)nc(N3CCO[C@H](CN(C)C)C3)c2c1C ZINC000069665567 402237516 /nfs/dbraw/zinc/23/75/16/402237516.db2.gz NKOQUZSCBOKUGR-CYBMUJFWSA-N 0 3 320.462 2.383 50 0 DEAAHN CCNC(=O)NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000069737028 402241158 /nfs/dbraw/zinc/24/11/58/402241158.db2.gz FZPDCGNTAIBPPE-OAHLLOKOSA-N 0 3 307.369 2.102 50 0 DEAAHN CCCN1CCCN(C(=O)COc2ccccc2OC)CC1 ZINC000069779454 402243564 /nfs/dbraw/zinc/24/35/64/402243564.db2.gz BBCBQVIOBSUOJF-UHFFFAOYSA-N 0 3 306.406 2.018 50 0 DEAAHN Cc1ccc([C@H](O)CN2CCC[C@H](Cn3cncn3)C2)cc1C ZINC000069815196 402246038 /nfs/dbraw/zinc/24/60/38/402246038.db2.gz BAGOMSBZKFSCKC-FUHWJXTLSA-N 0 3 314.433 2.341 50 0 DEAAHN CC[C@@H]1CN(CCOc2ccccc2F)CCN1CCOC ZINC000069849539 402247501 /nfs/dbraw/zinc/24/75/01/402247501.db2.gz LHSSAOPNAZCXSD-OAHLLOKOSA-N 0 3 310.413 2.247 50 0 DEAAHN CC(C)c1nc2n(n1)C[C@@H](NCc1cccc3c1OCO3)CC2 ZINC000069898450 402249948 /nfs/dbraw/zinc/24/99/48/402249948.db2.gz VQAFQFHLNKECON-ZDUSSCGKSA-N 0 3 314.389 2.235 50 0 DEAAHN COc1cccc(-c2n[nH]cc2CNCCn2cc(C)cn2)c1 ZINC000069917883 402250313 /nfs/dbraw/zinc/25/03/13/402250313.db2.gz CCGPJESMARCJGI-UHFFFAOYSA-N 0 3 311.389 2.380 50 0 DEAAHN Cc1cc(C)n(CCN(C)CCn2c3ccccc3oc2=O)n1 ZINC000215588312 402284242 /nfs/dbraw/zinc/28/42/42/402284242.db2.gz YRDCYPGQBMDGTA-UHFFFAOYSA-N 0 3 314.389 2.040 50 0 DEAAHN COc1cc(CNC[C@@H](O)c2cccc(F)c2)cc2c1OCO2 ZINC000071832871 402285256 /nfs/dbraw/zinc/28/52/56/402285256.db2.gz FEGBGUUFJJQHTF-CQSZACIVSA-N 0 3 319.332 2.386 50 0 DEAAHN CCC[C@H](C)CS(=O)(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000221924079 402305182 /nfs/dbraw/zinc/30/51/82/402305182.db2.gz NHOZXKDIMLWSPD-ILXRZTDVSA-N 0 3 304.500 2.462 50 0 DEAAHN CCC1=NO[C@H](CN2CCC(c3nnc4ccccn43)CC2)C1 ZINC000244817105 402450381 /nfs/dbraw/zinc/45/03/81/402450381.db2.gz SUKXDNZTAIHQHI-HNNXBMFYSA-N 0 3 313.405 2.464 50 0 DEAAHN COCCN1CCC(NC(=O)Nc2ccc(COC)cc2)CC1 ZINC000239637022 402441889 /nfs/dbraw/zinc/44/18/89/402441889.db2.gz BIINHFFKZASIKV-UHFFFAOYSA-N 0 3 321.421 2.065 50 0 DEAAHN CSc1cccc(CN(C)C(=O)CN2CC[C@H](N(C)C)C2)c1 ZINC000240936836 402442631 /nfs/dbraw/zinc/44/26/31/402442631.db2.gz SENRAELCOKUHAY-HNNXBMFYSA-N 0 3 321.490 2.003 50 0 DEAAHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CC1(C)CCCCC1 ZINC000241439993 402443548 /nfs/dbraw/zinc/44/35/48/402443548.db2.gz NOEYOCYLTMXMRY-CABCVRRESA-N 0 3 314.495 2.455 50 0 DEAAHN Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)[C@@H]2CCOC2)cs1 ZINC000242048073 402444801 /nfs/dbraw/zinc/44/48/01/402444801.db2.gz VSMFSECJHIANLT-CFVMTHIKSA-N 0 3 313.442 2.085 50 0 DEAAHN O[C@@H](CN1CCCC[C@H]1Cn1cncn1)c1ccc(F)cc1 ZINC000247761376 402575650 /nfs/dbraw/zinc/57/56/50/402575650.db2.gz HPISNHJEFYTMGA-HOTGVXAUSA-N 0 3 304.369 2.005 50 0 DEAAHN CCCN1CCCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000248037666 402580836 /nfs/dbraw/zinc/58/08/36/402580836.db2.gz ZLVJYISCHKXPCB-BRWVUGGUSA-N 0 3 309.498 2.297 50 0 DEAAHN CN(C[C@@H](O)c1ccccc1)C[C@H]1CCCN1c1cccnn1 ZINC000248096967 402582005 /nfs/dbraw/zinc/58/20/05/402582005.db2.gz GUEZXRZOBJZBSR-IAGOWNOFSA-N 0 3 312.417 2.111 50 0 DEAAHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)[C@H]2CCOC2)cc1 ZINC000248482568 402592503 /nfs/dbraw/zinc/59/25/03/402592503.db2.gz CDYFRMAYHKOFCQ-KKUMJFAQSA-N 0 3 311.447 2.172 50 0 DEAAHN C[C@H](C(=O)NCc1ccc(F)c(CO)c1)N1[C@H](C)CC[C@H]1C ZINC000252477548 402653897 /nfs/dbraw/zinc/65/38/97/402653897.db2.gz QOCRGVRAWMDRDJ-JHJVBQTASA-N 0 3 308.397 2.196 50 0 DEAAHN COC[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1c1ccncc1 ZINC000253396190 402663535 /nfs/dbraw/zinc/66/35/35/402663535.db2.gz AWCRIMJMXHVTNV-RDJZCZTQSA-N 0 3 313.401 2.347 50 0 DEAAHN COC[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H](C)N ZINC000253415588 402664773 /nfs/dbraw/zinc/66/47/73/402664773.db2.gz DIINAJJKYNXCQB-BXKDBHETSA-N 0 3 304.312 2.199 50 0 DEAAHN O=C(NCCCC(F)(F)F)[C@@H]1CCCN1C1CCOCC1 ZINC000253429224 402666510 /nfs/dbraw/zinc/66/65/10/402666510.db2.gz CEMMKFHXLJXDJO-LBPRGKRZSA-N 0 3 308.344 2.089 50 0 DEAAHN O=C(CNC1CC1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000195554762 402851064 /nfs/dbraw/zinc/85/10/64/402851064.db2.gz ADEVASUFOJBOFW-ZDUSSCGKSA-N 0 3 308.809 2.462 50 0 DEAAHN CCN1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)ncn2C ZINC000299766869 403569818 /nfs/dbraw/zinc/56/98/18/403569818.db2.gz TXZMVKXNBXYLFY-CYBMUJFWSA-N 0 3 301.394 2.179 50 0 DEAAHN CN(Cc1[nH]nc2c1CCCC2)C(=O)C(C)(C)N1CCCC1 ZINC000426399319 405357483 /nfs/dbraw/zinc/35/74/83/405357483.db2.gz BDVIAAYHTBHDOS-UHFFFAOYSA-N 0 3 304.438 2.121 50 0 DEAAHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1occc1CN(C)C ZINC000390832642 227222150 /nfs/dbraw/zinc/22/21/50/227222150.db2.gz ZAJMVRHGQCJBQF-RBSFLKMASA-N 0 3 321.465 2.437 50 0 DEAAHN Nc1n[nH]c([C@@H]2CCCN(CCCc3c(F)cccc3F)C2)n1 ZINC000585136623 424993221 /nfs/dbraw/zinc/99/32/21/424993221.db2.gz NFOCORBLSRMHAW-LLVKDONJSA-N 0 3 321.375 2.477 50 0 DEAAHN O=C([C@@H]1CCCCN1)N1CCc2c(Br)cccc2C1 ZINC000157272010 275003729 /nfs/dbraw/zinc/00/37/29/275003729.db2.gz GSFJIKHOEOMDGL-AWEZNQCLSA-N 0 3 323.234 2.476 50 0 DEAAHN O=C1C[C@@]2(CCN(CCCn3cccn3)C2)Oc2ccccc21 ZINC000244874639 275020184 /nfs/dbraw/zinc/02/01/84/275020184.db2.gz XEULTDGTDFHFCM-GOSISDBHSA-N 0 3 311.385 2.383 50 0 DEAAHN Cc1nc2ccc(F)cc2c(N2CCN3C(=O)NC[C@@H]3C2)c1C ZINC000097145039 282061752 /nfs/dbraw/zinc/06/17/52/282061752.db2.gz GHMDMUKSYKTBGT-CYBMUJFWSA-N 0 3 314.364 2.205 50 0 DEAAHN C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1CN1CCCCC1 ZINC000069529059 290378417 /nfs/dbraw/zinc/37/84/17/290378417.db2.gz AVFPNYHPJMKUKI-DLBZAZTESA-N 0 3 307.482 2.338 50 0 DEAAHN C[C@H](Oc1cccc(F)c1)C(=O)NC1CCN(C2CC2)CC1 ZINC000024747653 331599947 /nfs/dbraw/zinc/59/99/47/331599947.db2.gz UKWVTNVUJBMCMZ-LBPRGKRZSA-N 0 3 306.381 2.336 50 0 DEAAHN CCn1cncc1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000534650017 334311326 /nfs/dbraw/zinc/31/13/26/334311326.db2.gz KATSPLNSTHABCW-UHFFFAOYSA-N 0 3 319.453 2.063 50 0 DEAAHN CN(CCCN1CCCCC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000097103390 337382363 /nfs/dbraw/zinc/38/23/63/337382363.db2.gz ALCAPYHHFOCNNY-CVEARBPZSA-N 0 3 316.511 2.150 50 0 DEAAHN Nc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)ccn1 ZINC000019147541 683858408 /nfs/dbraw/zinc/85/84/08/683858408.db2.gz PDERTZSTNWZCNZ-QGZVFWFLSA-N 0 3 324.428 2.101 50 0 DEAAHN CO[C@]12CCC[C@@]1(NCc1cnc3onc(C)c3c1)CCO2 ZINC000928996615 693869468 /nfs/dbraw/zinc/86/94/68/693869468.db2.gz YTNRIPVLXPTSHN-CVEARBPZSA-N 0 3 303.362 2.307 50 0 DEAAHN Cc1cc([C@H]2CCCN2CCP(=O)(N(C)C)N(C)C)on1 ZINC000585116583 789703672 /nfs/dbraw/zinc/70/36/72/789703672.db2.gz BOXYTCIVXMFODX-CYBMUJFWSA-N 0 3 314.370 2.436 50 0 DEAAHN CCCn1nc(C)cc1NC(=O)[C@@H](N)Cc1ccc(OC)cc1 ZINC001529175012 1070902502 /nfs/dbraw/zinc/90/25/02/1070902502.db2.gz ZXBSOHNNZMYVIS-HNNXBMFYSA-N 0 3 316.405 2.119 50 0 DEAAHN Cc1cc(C)n(C[C@H](C)N2CCN(c3cccc(O)c3)CC2)n1 ZINC001506402499 1061942859 /nfs/dbraw/zinc/94/28/59/1061942859.db2.gz NXAGBPFLABTYEV-INIZCTEOSA-N 0 3 314.433 2.416 50 0 DEAAHN CCCCCCN1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082146197 192361893 /nfs/dbraw/zinc/36/18/93/192361893.db2.gz VRFDLFGGFFOGTF-UHFFFAOYSA-N 0 3 321.469 2.440 50 0 DEAAHN CCN1CCCN(C(=O)NC[C@H](OC)c2ccc(F)cc2)CC1 ZINC000095427795 185361972 /nfs/dbraw/zinc/36/19/72/185361972.db2.gz VGQXOMSXGLQUKZ-INIZCTEOSA-N 0 3 323.412 2.250 50 0 DEAAHN Cc1cc(F)cc(S(=O)(=O)NC[C@H](N)c2ccccc2)c1 ZINC000095432060 185363519 /nfs/dbraw/zinc/36/35/19/185363519.db2.gz YMUQIDDIBUAHAP-HNNXBMFYSA-N 0 3 308.378 2.112 50 0 DEAAHN CN(C1CCCC1)C(C)(C)C(=O)OCc1cccc(C(N)=O)c1 ZINC000095466531 185371891 /nfs/dbraw/zinc/37/18/91/185371891.db2.gz DOEHTQYMSPVTDF-UHFFFAOYSA-N 0 3 318.417 2.482 50 0 DEAAHN CN(Cc1cn(C)nc1-c1cccs1)C1CCS(=O)CC1 ZINC000097033973 185399936 /nfs/dbraw/zinc/39/99/36/185399936.db2.gz JARCZRBNPBWBBM-UHFFFAOYSA-N 0 3 323.487 2.492 50 0 DEAAHN CN(CCN(C)C1CC1)C(=O)c1ncsc1Br ZINC000408516498 529902860 /nfs/dbraw/zinc/90/28/60/529902860.db2.gz KKWWAOZXYUBMTQ-UHFFFAOYSA-N 0 3 318.240 2.072 50 0 DEAAHN CC(C)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000083721636 539390842 /nfs/dbraw/zinc/39/08/42/539390842.db2.gz VIZKXQUTBQXRLX-HZPDHXFCSA-N 0 3 311.470 2.175 50 0 DEAAHN C[S@](=O)c1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000083990353 539391199 /nfs/dbraw/zinc/39/11/99/539391199.db2.gz WFSDGYMYLSYCCG-RCDICMHDSA-N 0 3 321.446 2.126 50 0 DEAAHN Cc1cc(CN[C@@H]2c3ccccc3C[C@H]2O)ccc1-n1cncn1 ZINC000085332985 539400033 /nfs/dbraw/zinc/40/00/33/539400033.db2.gz IUDDFOSURUCYME-RTBURBONSA-N 0 3 320.396 2.324 50 0 DEAAHN COC(=O)c1oc([C@H](C)N2CCC(c3nc[nH]n3)CC2)cc1C ZINC000091590520 539420869 /nfs/dbraw/zinc/42/08/69/539420869.db2.gz FQSQMVUKFZCMOZ-NSHDSACASA-N 0 3 318.377 2.433 50 0 DEAAHN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C)C1CCN(C)CC1 ZINC000068467881 190769434 /nfs/dbraw/zinc/76/94/34/190769434.db2.gz ACRWULPNLSZWBK-LLVKDONJSA-N 0 3 312.360 2.285 50 0 DEAAHN CN(C)CCn1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000083851162 192386534 /nfs/dbraw/zinc/38/65/34/192386534.db2.gz MGCBZTYZVHFPBH-KGLIPLIRSA-N 0 3 305.426 2.241 50 0 DEAAHN COc1ccc(CC[C@@H]2CCCN(C(=O)C3(N)CC3)C2)cc1 ZINC000071749703 191022397 /nfs/dbraw/zinc/02/23/97/191022397.db2.gz XSQITFCPXODDRC-HNNXBMFYSA-N 0 3 302.418 2.358 50 0 DEAAHN O=C1CCCN1[C@H]1CCCN(CCOCc2ccccc2)C1 ZINC000071759285 191026616 /nfs/dbraw/zinc/02/66/16/191026616.db2.gz SCCRWYYUCHONSD-KRWDZBQOSA-N 0 3 302.418 2.290 50 0 DEAAHN N[C@@H](C(=O)N1CCCN(C2CCCC2)CC1)c1ccccc1 ZINC000071771145 191030180 /nfs/dbraw/zinc/03/01/80/191030180.db2.gz CGTAESDADMVQJV-QGZVFWFLSA-N 0 3 301.434 2.163 50 0 DEAAHN CN1CCC(N(CCc2ccccc2)C(=O)c2ccon2)CC1 ZINC000072434218 191166263 /nfs/dbraw/zinc/16/62/63/191166263.db2.gz ZQWFAAOPCDSSSS-UHFFFAOYSA-N 0 3 313.401 2.454 50 0 DEAAHN CCOc1ccc(OC[C@H](O)CN2CCCC[C@H]2CCO)cc1 ZINC000003456651 353991510 /nfs/dbraw/zinc/99/15/10/353991510.db2.gz VSONKLRWXJMQQO-JKSUJKDBSA-N 0 3 323.433 2.062 50 0 DEAAHN CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000004023849 181063369 /nfs/dbraw/zinc/06/33/69/181063369.db2.gz JQBQFKBTBZDNRL-CHWSQXEVSA-N 0 3 300.443 2.232 50 0 biogenic DEAAHN C[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2cccnc2[n-]c1=S ZINC000020618258 354047766 /nfs/dbraw/zinc/04/77/66/354047766.db2.gz HDJWNPCASXEXPY-GFCCVEGCSA-N 0 3 318.446 2.345 50 0 DEAAHN C[C@@H]1CCCC[N@H+]1CCCn1c(=O)c2cccnc2[n-]c1=S ZINC000020618258 354047768 /nfs/dbraw/zinc/04/77/68/354047768.db2.gz HDJWNPCASXEXPY-GFCCVEGCSA-N 0 3 318.446 2.345 50 0 DEAAHN CN(C)CCNC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000004278490 181091350 /nfs/dbraw/zinc/09/13/50/181091350.db2.gz KDYGKKUDAOGVTN-UHFFFAOYSA-N 0 3 304.312 2.057 50 0 DEAAHN O[C@H](COC[C@H]1CCCO1)CN1CCC[C@H]1c1ccsc1 ZINC000058581574 354594662 /nfs/dbraw/zinc/59/46/62/354594662.db2.gz NRGZWSVNGRGALB-XHSDSOJGSA-N 0 3 311.447 2.442 50 0 DEAAHN Cc1nnc2n1C[C@@H](NCc1c[nH]nc1-c1ccccc1)CC2 ZINC000065521418 354684857 /nfs/dbraw/zinc/68/48/57/354684857.db2.gz CYXLIGWYLCMTCJ-HNNXBMFYSA-N 0 3 308.389 2.081 50 0 DEAAHN CC(C)(C)NC(=O)NC(=O)CN1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065968521 354696281 /nfs/dbraw/zinc/69/62/81/354696281.db2.gz XAQPLGLIZQGGOS-VTXSZYRJSA-N 0 3 307.438 2.121 50 0 DEAAHN C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000074745480 355046920 /nfs/dbraw/zinc/04/69/20/355046920.db2.gz OZTZLDJOKNJIJC-RDJZCZTQSA-N 0 3 318.465 2.226 50 0 DEAAHN CCc1cnc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)o1 ZINC000076047809 355121308 /nfs/dbraw/zinc/12/13/08/355121308.db2.gz OZZNWXAIVFVXCX-INIZCTEOSA-N 0 3 314.433 2.381 50 0 DEAAHN COc1cccc(N2CCC[C@@H](N[C@@H]3CCSC3)C2=O)c1 ZINC000129165584 355832798 /nfs/dbraw/zinc/83/27/98/355832798.db2.gz AHGWDKCVQGBTJZ-IUODEOHRSA-N 0 3 306.431 2.286 50 0 DEAAHN CC[C@@](C)(O)Cc1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000585091525 540256614 /nfs/dbraw/zinc/25/66/14/540256614.db2.gz SWORWGMSPIIYCP-QZTJIDSGSA-N 0 3 314.433 2.429 50 0 DEAAHN C[C@H](NC[C@H](O)CN1CCc2ccccc2C1)c1ccccn1 ZINC000237550334 202278699 /nfs/dbraw/zinc/27/86/99/202278699.db2.gz RRSKRWJWRJRGCQ-YJBOKZPZSA-N 0 3 311.429 2.151 50 0 DEAAHN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CCN(C)CC1 ZINC000006007527 181305414 /nfs/dbraw/zinc/30/54/14/181305414.db2.gz CSUDJWBOPLRWGV-ZDUSSCGKSA-N 0 3 302.418 2.153 50 0 DEAAHN Cc1cnc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000670462515 540937730 /nfs/dbraw/zinc/93/77/30/540937730.db2.gz UFRSWKQEWQQTOC-QGZVFWFLSA-N 0 3 324.428 2.394 50 0 DEAAHN OC[C@]1(O)CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000628308438 366804802 /nfs/dbraw/zinc/80/48/02/366804802.db2.gz OJDFRXFEYMVBIY-AWEZNQCLSA-N 0 3 303.324 2.067 50 0 DEAAHN O=C1N(CCO)CCC[C@]12CCN(Cc1cccc(Cl)c1)C2 ZINC000091725618 193097970 /nfs/dbraw/zinc/09/79/70/193097970.db2.gz LCJGYMNMLDIUMZ-QGZVFWFLSA-N 0 3 322.836 2.147 50 0 DEAAHN O=C(NCCN1CCC[C@H](CO)C1)c1ccc2sccc2c1 ZINC000091973995 193134561 /nfs/dbraw/zinc/13/45/61/193134561.db2.gz GYVFJSKAWPJUNC-ZDUSSCGKSA-N 0 3 318.442 2.335 50 0 DEAAHN CSCCCN1C[C@H]2CC[C@@H]1CN(Cc1[nH]cnc1C)C2 ZINC000092062392 193150247 /nfs/dbraw/zinc/15/02/47/193150247.db2.gz ZGOXZIHZYLXUJU-LSDHHAIUSA-N 0 3 308.495 2.367 50 0 DEAAHN Nc1ncccc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000092065053 193151167 /nfs/dbraw/zinc/15/11/67/193151167.db2.gz SGJDPULYBWOACU-FUHWJXTLSA-N 0 3 323.444 2.155 50 0 DEAAHN CC[C@H](Oc1ccc(OC)cc1)C(=O)NC1CCN(C)CC1 ZINC000016580797 182050899 /nfs/dbraw/zinc/05/08/99/182050899.db2.gz IJKBOBOXKRFRQR-INIZCTEOSA-N 0 3 306.406 2.063 50 0 DEAAHN CCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 ZINC000016605136 182053360 /nfs/dbraw/zinc/05/33/60/182053360.db2.gz XHIKLLJALQWMND-NSHDSACASA-N 0 3 312.360 2.333 50 0 DEAAHN COc1cc(CN2CCN(C(C)C)CC2)cc(OC)c1OC ZINC000019447999 182123954 /nfs/dbraw/zinc/12/39/54/182123954.db2.gz VSSNDYMBRHYPKO-UHFFFAOYSA-N 0 3 308.422 2.238 50 0 DEAAHN Cc1ncc2c(c1-c1noc(-c3ccccc3[O-])n1)CC[NH2+]C2 ZINC000020272229 182202015 /nfs/dbraw/zinc/20/20/15/182202015.db2.gz DWLSOXTXMGLRID-UHFFFAOYSA-N 0 3 308.341 2.458 50 0 DEAAHN CCn1ncc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1C ZINC000020601316 182236663 /nfs/dbraw/zinc/23/66/63/182236663.db2.gz VOUYYAMBTNCNRM-KRWDZBQOSA-N 0 3 322.497 2.126 50 0 DEAAHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccnn2C)C1 ZINC000681465966 542151806 /nfs/dbraw/zinc/15/18/06/542151806.db2.gz RBNXJOJJTDPBGC-HIFRSBDPSA-N 0 3 313.405 2.377 50 0 DEAAHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)OCc1cccc(OC)c1 ZINC000040523366 183091558 /nfs/dbraw/zinc/09/15/58/183091558.db2.gz MENLNMNTDGFZMQ-ZBFHGGJFSA-N 0 3 320.433 2.201 50 0 DEAAHN Cc1cccc(NC(=O)NC[C@H](O)CN2CCCCC2)c1C ZINC000040525335 183092248 /nfs/dbraw/zinc/09/22/48/183092248.db2.gz GCSYNFIRGZPBQJ-HNNXBMFYSA-N 0 3 305.422 2.272 50 0 DEAAHN CC[C@@H](c1ccccc1)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000058201272 184087214 /nfs/dbraw/zinc/08/72/14/184087214.db2.gz UZQNSJGOOZGFEN-ZBFHGGJFSA-N 0 3 310.463 2.399 50 0 DEAAHN COc1ccc(F)cc1[C@@H](C)NC[C@@H]1CNc2ccnn2C1 ZINC000058357823 184108991 /nfs/dbraw/zinc/10/89/91/184108991.db2.gz ATYXUILTVHSJCF-VXGBXAGGSA-N 0 3 304.369 2.423 50 0 DEAAHN CCN1CCC(N(C(=O)CNC(=O)CC(C)(C)C)C2CC2)CC1 ZINC000058261035 184095188 /nfs/dbraw/zinc/09/51/88/184095188.db2.gz HVSXNHNUIGOECY-UHFFFAOYSA-N 0 3 323.481 2.014 50 0 DEAAHN Cn1nccc1C1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000058290003 184101030 /nfs/dbraw/zinc/10/10/30/184101030.db2.gz JNWVCOMSOROYON-KRWDZBQOSA-N 0 3 303.381 2.472 50 0 DEAAHN C[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccccc1 ZINC000058291674 184101339 /nfs/dbraw/zinc/10/13/39/184101339.db2.gz VUUCWGGKHJCAJH-MRXNPFEDSA-N 0 3 318.465 2.074 50 0 DEAAHN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCN(C2CC2)CC1 ZINC000061605978 184177185 /nfs/dbraw/zinc/17/71/85/184177185.db2.gz OUBXRGUFAGRSLP-XVNBXDOJSA-N 0 3 314.385 2.125 50 0 DEAAHN CN(CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CC1 ZINC000063116848 184271976 /nfs/dbraw/zinc/27/19/76/184271976.db2.gz YWQATMBTPHTKPI-UHFFFAOYSA-N 0 3 302.353 2.040 50 0 DEAAHN CCN1CCN(CCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000065288291 184322390 /nfs/dbraw/zinc/32/23/90/184322390.db2.gz MQLLIQFZYZGQJL-UHFFFAOYSA-N 0 3 300.406 2.225 50 0 DEAAHN CCc1c(C(=O)N2CCC[C@H](N(C)C)C2)cnn1C(C)(C)C ZINC000065494602 184354934 /nfs/dbraw/zinc/35/49/34/184354934.db2.gz DWDRPTWUHLFGOX-ZDUSSCGKSA-N 0 3 306.454 2.367 50 0 DEAAHN Cn1cc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cn1 ZINC000083455956 257240360 /nfs/dbraw/zinc/24/03/60/257240360.db2.gz SRZMGVFQVYQFNJ-INIZCTEOSA-N 0 3 308.426 2.203 50 0 DEAAHN CN1CCN(CC2CCN(C(=O)CC3(C)CCCC3)CC2)CC1 ZINC000377432252 133330007 /nfs/dbraw/zinc/33/00/07/133330007.db2.gz NTGYZRBMWIYABE-UHFFFAOYSA-N 0 3 321.509 2.443 50 0 DEAAHN Cc1cnc([C@H](NC(=O)NCCN(C)C2CC2)C2CC2)s1 ZINC000074200501 401733123 /nfs/dbraw/zinc/73/31/23/401733123.db2.gz DTZSCEMXHIJKTJ-CYBMUJFWSA-N 0 3 308.451 2.296 50 0 DEAAHN C[C@H](CN1CCCCC1)OC(=O)[C@H]1COc2ccccc2O1 ZINC000000316373 401694479 /nfs/dbraw/zinc/69/44/79/401694479.db2.gz NNCGNPRKCLJWQT-CZUORRHYSA-N 0 3 305.374 2.244 50 0 DEAAHN CN1C(=O)[C@H]2CC[C@@H]1CN(CCCOCc1ccccc1)C2 ZINC000072407668 401710036 /nfs/dbraw/zinc/71/00/36/401710036.db2.gz WJNCTICXRNWRFS-DLBZAZTESA-N 0 3 302.418 2.146 50 0 DEAAHN CN(CCO)C[C@H](O)CN(c1ccccc1)c1ccccc1 ZINC000001819743 401711149 /nfs/dbraw/zinc/71/11/49/401711149.db2.gz SKYQKBKRQSMUEN-SFHVURJKSA-N 0 3 300.402 2.110 50 0 DEAAHN Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 ZINC000014211319 401809507 /nfs/dbraw/zinc/80/95/07/401809507.db2.gz PCWGGOVOEWHPMG-UHFFFAOYSA-N 0 3 304.781 2.119 50 0 in-vitro DEAAHN COc1ccc(CN2CCC[C@H](N3CCCC3)C2=O)cc1F ZINC000075876408 401772551 /nfs/dbraw/zinc/77/25/51/401772551.db2.gz ADKAFEICQANEHT-HNNXBMFYSA-N 0 3 306.381 2.421 50 0 DEAAHN CNS(=O)(=O)CCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000076089594 401781617 /nfs/dbraw/zinc/78/16/17/401781617.db2.gz PLJONMZHZSNIIQ-DOMZBBRYSA-N 0 3 314.426 2.148 50 0 DEAAHN CNS(=O)(=O)CCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000076089592 401781783 /nfs/dbraw/zinc/78/17/83/401781783.db2.gz PLJONMZHZSNIIQ-SWLSCSKDSA-N 0 3 314.426 2.148 50 0 DEAAHN Cc1ocnc1C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012570897 401788450 /nfs/dbraw/zinc/78/84/50/401788450.db2.gz FTDSFGKPOVURII-INIZCTEOSA-N 0 3 313.401 2.420 50 0 DEAAHN CCN1CCC(NC(=O)CN(C)Cc2ccccc2Cl)CC1 ZINC000012904685 401793359 /nfs/dbraw/zinc/79/33/59/401793359.db2.gz AWQZPKZQQOJDLX-UHFFFAOYSA-N 0 3 323.868 2.372 50 0 DEAAHN Cn1cccc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077470872 401816714 /nfs/dbraw/zinc/81/67/14/401816714.db2.gz WKVFIJXUVLVULJ-UHFFFAOYSA-N 0 3 323.440 2.340 50 0 DEAAHN COC[C@@H](C)NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000016621923 401819764 /nfs/dbraw/zinc/81/97/64/401819764.db2.gz OMYRMCORADPMJL-OAHLLOKOSA-N 0 3 304.434 2.358 50 0 DEAAHN CCN1CCN(C2(CNC(=O)c3ccco3)CCCCC2)CC1 ZINC000028403220 401851825 /nfs/dbraw/zinc/85/18/25/401851825.db2.gz IXENLDUWFHNNRS-UHFFFAOYSA-N 0 3 319.449 2.350 50 0 DEAAHN CC(C)=CCN1CCC2(CC1)C(=O)N(C)C(=O)N2CC(C)C ZINC000014534557 401812182 /nfs/dbraw/zinc/81/21/82/401812182.db2.gz KZVMIVNKSSUHJX-UHFFFAOYSA-N 0 3 307.438 2.337 50 0 DEAAHN COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H]3CCCO3)C2)c1 ZINC000081571102 401897229 /nfs/dbraw/zinc/89/72/29/401897229.db2.gz YLGIAIXDRWULOF-GDBMZVCRSA-N 0 3 320.433 2.393 50 0 DEAAHN CC(C(=O)NC1CCCC1)S(=O)(=O)Cc1ccccc1F ZINC000036394633 401905654 /nfs/dbraw/zinc/90/56/54/401905654.db2.gz NSNIANGOORUWAD-LLVKDONJSA-N 0 3 313.394 2.188 50 0 DEAAHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084938008 401912351 /nfs/dbraw/zinc/91/23/51/401912351.db2.gz QEFLKYWTCBKBGB-CYBMUJFWSA-N 0 3 308.403 2.148 50 0 DEAAHN CCN1CCC[C@H]1CNC(=O)Cn1ccc2cc(OC)ccc21 ZINC000046742053 401972353 /nfs/dbraw/zinc/97/23/53/401972353.db2.gz PXMSFVCPTDPOFI-HNNXBMFYSA-N 0 3 315.417 2.250 50 0 DEAAHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(Br)o1 ZINC000044317583 401941281 /nfs/dbraw/zinc/94/12/81/401941281.db2.gz OIVIHRXZXKXSPE-VIFPVBQESA-N 0 3 313.195 2.256 50 0 DEAAHN COc1cccc(CCNC(=O)N(C)CC2CCN(C)CC2)c1 ZINC000089375202 401944141 /nfs/dbraw/zinc/94/41/41/401944141.db2.gz BAYRKCLSNPABAJ-UHFFFAOYSA-N 0 3 319.449 2.221 50 0 DEAAHN CNc1cc(N2CCC[C@H]2CN[C@H](C)c2cccnc2)ncn1 ZINC000095351538 402026515 /nfs/dbraw/zinc/02/65/15/402026515.db2.gz ZTJFVDHKBCYVFM-HIFRSBDPSA-N 0 3 312.421 2.233 50 0 DEAAHN CCc1cnc(NCC2(N3CCN(C)CC3)CCCCC2)nc1 ZINC000095379870 402030616 /nfs/dbraw/zinc/03/06/16/402030616.db2.gz PQSSMSJYXVHNKU-UHFFFAOYSA-N 0 3 317.481 2.401 50 0 DEAAHN CCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095378737 402030649 /nfs/dbraw/zinc/03/06/49/402030649.db2.gz ZYTOYPIKPKRXMB-QXAKKESOSA-N 0 3 314.429 2.494 50 0 DEAAHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC(OCC)OCC)C1 ZINC000095941560 402035080 /nfs/dbraw/zinc/03/50/80/402035080.db2.gz KOXMGODERWQAFH-HUUCEWRRSA-N 0 3 314.470 2.402 50 0 DEAAHN CC[C@H](O)CN1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC000095976165 402040271 /nfs/dbraw/zinc/04/02/71/402040271.db2.gz FYDFVHKOBCBLNC-INIZCTEOSA-N 0 3 305.422 2.352 50 0 DEAAHN Cc1noc([C@@H]2CCCN(CCC(=O)NC3CCCC3)C2)n1 ZINC000052863701 402048456 /nfs/dbraw/zinc/04/84/56/402048456.db2.gz WTJPSWZBLQKQTJ-CYBMUJFWSA-N 0 3 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322.206 2.370 50 0 DEAAHN CCC(CC)N(CC(=O)Nc1ccccc1C(N)=O)C1CC1 ZINC000058268303 402099595 /nfs/dbraw/zinc/09/95/95/402099595.db2.gz ZPJPWWCQJLNRJU-UHFFFAOYSA-N 0 3 303.406 2.377 50 0 DEAAHN Cc1cc(NC(=O)CN[C@H](C)[C@H]2COc3ccccc32)no1 ZINC000097112662 402108677 /nfs/dbraw/zinc/10/86/77/402108677.db2.gz IHWDAQDQJIKVRX-DGCLKSJQSA-N 0 3 301.346 2.076 50 0 DEAAHN CN1CCC(Nc2ccccc2N2CCC(CO)CC2)CC1 ZINC000097142017 402111037 /nfs/dbraw/zinc/11/10/37/402111037.db2.gz VRNBNTGRBOYTJO-UHFFFAOYSA-N 0 3 303.450 2.401 50 0 DEAAHN CN(CCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C1CC1 ZINC000063116572 402111625 /nfs/dbraw/zinc/11/16/25/402111625.db2.gz FQRCPPXMRDKRBY-UHFFFAOYSA-N 0 3 304.438 2.340 50 0 DEAAHN Cn1nccc1-c1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000096142281 402062147 /nfs/dbraw/zinc/06/21/47/402062147.db2.gz IKKSHUKUZDSIAP-OAHLLOKOSA-N 0 3 315.417 2.313 50 0 DEAAHN CC[C@H](C)[C@H](C)N(CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 ZINC000065568685 402126208 /nfs/dbraw/zinc/12/62/08/402126208.db2.gz KPSUZVMICQKBSN-KBPBESRZSA-N 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DEAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)NCC1(O)CCC1 ZINC000089799947 401964803 /nfs/dbraw/zinc/96/48/03/401964803.db2.gz DQUWZIOGBWOURE-ZDUSSCGKSA-N 0 3 323.462 2.099 50 0 DEAAHN c1cc(-c2noc(CN3CCN(c4ccncc4)CC3)n2)co1 ZINC000089884968 401970388 /nfs/dbraw/zinc/97/03/88/401970388.db2.gz VMZWWCZNSVNVOB-UHFFFAOYSA-N 0 3 311.345 2.047 50 0 DEAAHN Cc1cc(C)nc(SCC(=O)NCCN2CCC[C@@H](C)C2)n1 ZINC000047146821 401979320 /nfs/dbraw/zinc/97/93/20/401979320.db2.gz BBYCEYCXGGBZQK-GFCCVEGCSA-N 0 3 322.478 2.034 50 0 DEAAHN COC(=O)c1ccc(NC(=O)NCCN2CCC(C)CC2)cc1 ZINC000048004890 401992011 /nfs/dbraw/zinc/99/20/11/401992011.db2.gz HIGUGIZYQNWMPN-UHFFFAOYSA-N 0 3 319.405 2.327 50 0 DEAAHN CC(C)CCCC(=O)N1CCC(n2cc(C(C)(C)N)nn2)CC1 ZINC000048135077 401994415 /nfs/dbraw/zinc/99/44/15/401994415.db2.gz XCNCHAHOYGNJBK-UHFFFAOYSA-N 0 3 321.469 2.462 50 0 DEAAHN CS[C@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1N(C)C ZINC000095444665 402033449 /nfs/dbraw/zinc/03/34/49/402033449.db2.gz FUSQRXDOIVTXDV-CVEARBPZSA-N 0 3 317.458 2.145 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324.428 2.254 50 0 DEAAHN Cc1noc(C)c1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000065615223 184374196 /nfs/dbraw/zinc/37/41/96/184374196.db2.gz OBOGCAYHSFNMRM-UHFFFAOYSA-N 0 3 316.405 2.223 50 0 DEAAHN CN1CCO[C@H](CNCc2cccc(OC(F)(F)F)c2)C1 ZINC000065624457 184375340 /nfs/dbraw/zinc/37/53/40/184375340.db2.gz DZEUEYXAQSBSPJ-CYBMUJFWSA-N 0 3 304.312 2.005 50 0 DEAAHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCOC2)cc1 ZINC000120117243 195099610 /nfs/dbraw/zinc/09/96/10/195099610.db2.gz CDYFRMAYHKOFCQ-SOUVJXGZSA-N 0 3 311.447 2.172 50 0 DEAAHN NC(=O)[C@@H](NC1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000071824465 184854953 /nfs/dbraw/zinc/85/49/53/184854953.db2.gz FEFDPJUASMNRKF-SFHVURJKSA-N 0 3 309.413 2.472 50 0 DEAAHN O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)N1CCOCC1 ZINC000069629117 184829345 /nfs/dbraw/zinc/82/93/45/184829345.db2.gz OVPNRUFPGLAPNF-KRWDZBQOSA-N 0 3 306.381 2.115 50 0 DEAAHN Cc1nc2ccccc2nc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000069654186 184832561 /nfs/dbraw/zinc/83/25/61/184832561.db2.gz 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/nfs/dbraw/zinc/70/48/21/401704821.db2.gz CNULSQBRHUSBLS-GJZGRUSLSA-N 0 3 312.417 2.402 50 0 DEAAHN OC1(CNCc2ccccc2Br)CCOCC1 ZINC000112717077 401755980 /nfs/dbraw/zinc/75/59/80/401755980.db2.gz WBQYWOCXPIUMIJ-UHFFFAOYSA-N 0 3 300.196 2.080 50 0 DEAAHN Cc1cccc([C@H]2CCCCN2CCN2C(=O)CNC2=O)c1C ZINC000075999680 401776527 /nfs/dbraw/zinc/77/65/27/401776527.db2.gz FKOMJDRDXAOVCL-MRXNPFEDSA-N 0 3 315.417 2.382 50 0 DEAAHN Cc1nc(CN(C)[C@H]2CCN(CCc3cccs3)C2)no1 ZINC000076047331 401778512 /nfs/dbraw/zinc/77/85/12/401778512.db2.gz SPDUCIBGVPFHHA-ZDUSSCGKSA-N 0 3 306.435 2.188 50 0 DEAAHN C/C=C(\C)CN1CCC[C@H](N2CCN(C(=O)OCC)CC2)C1 ZINC000020995834 401825213 /nfs/dbraw/zinc/82/52/13/401825213.db2.gz LRXMVVXBTZSRTO-MRJCOXNESA-N 0 3 309.454 2.191 50 0 DEAAHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1noc2ccccc21 ZINC000115434972 401827471 /nfs/dbraw/zinc/82/74/71/401827471.db2.gz ZEXMOVNQWJVVRE-CYBMUJFWSA-N 0 3 301.390 2.171 50 0 DEAAHN Cc1cc(NC(=O)CCN(C)CCOc2ccccc2)no1 ZINC000028634378 401852770 /nfs/dbraw/zinc/85/27/70/401852770.db2.gz NMLYKGGAXPHNDV-UHFFFAOYSA-N 0 3 303.362 2.322 50 0 DEAAHN CC(C)[C@@H](CNc1ncnc2sccc21)N1CCN(C)CC1 ZINC000032760677 401882612 /nfs/dbraw/zinc/88/26/12/401882612.db2.gz DUMZHBUPDOQXFJ-CQSZACIVSA-N 0 3 319.478 2.375 50 0 DEAAHN CSc1ccccc1C(=O)NCc1cc2n(n1)CCCNC2 ZINC000082096302 401899989 /nfs/dbraw/zinc/89/99/89/401899989.db2.gz WTISNIYJYUJEFT-UHFFFAOYSA-N 0 3 316.430 2.028 50 0 DEAAHN Cc1ccccc1CCCN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000084679531 401909287 /nfs/dbraw/zinc/90/92/87/401909287.db2.gz GNLYUWPPFGGYNM-INIZCTEOSA-N 0 3 324.490 2.189 50 0 DEAAHN c1cc(N2CCN3CCC[C@@H]3C2)ncc1-c1nc(C2CC2)no1 ZINC000039515632 401924197 /nfs/dbraw/zinc/92/41/97/401924197.db2.gz MALQVTVHPWYMDG-CQSZACIVSA-N 0 3 311.389 2.293 50 0 DEAAHN C[C@H]1COCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000044966582 401951598 /nfs/dbraw/zinc/95/15/98/401951598.db2.gz SQGXCWGZYREOEF-UONOGXRCSA-N 0 3 323.462 2.315 50 0 DEAAHN O=C(Nc1ccccn1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000089883854 401969800 /nfs/dbraw/zinc/96/98/00/401969800.db2.gz FXAYFCXDZYBLOR-HNNXBMFYSA-N 0 3 318.421 2.190 50 0 DEAAHN CC(C)OCCN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000089887858 401970197 /nfs/dbraw/zinc/97/01/97/401970197.db2.gz PDFCTEQFMIDYSQ-HNNXBMFYSA-N 0 3 312.479 2.478 50 0 DEAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccn(-c2ccccc2)n1 ZINC000047144244 401979229 /nfs/dbraw/zinc/97/92/29/401979229.db2.gz CBNCMYJHYPOORD-OAHLLOKOSA-N 0 3 312.417 2.477 50 0 DEAAHN c1ccc(CN2C[C@H]3CNC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000090751643 401986971 /nfs/dbraw/zinc/98/69/71/401986971.db2.gz SNGGAGSGIFAHDI-BGYRXZFFSA-N 0 3 307.441 2.345 50 0 DEAAHN NC1(C(=O)N[C@H]2CCCc3nc(-c4ccccc4)ncc32)CC1 ZINC000091547462 401996216 /nfs/dbraw/zinc/99/62/16/401996216.db2.gz ZFVUSETYAXBBOD-HNNXBMFYSA-N 0 3 308.385 2.129 50 0 DEAAHN Cc1ncc(CN[C@@H]2CCCN(c3ccc(C)nn3)C2)s1 ZINC000095351564 402026369 /nfs/dbraw/zinc/02/63/69/402026369.db2.gz KUIPCSUPJJPXPK-CYBMUJFWSA-N 0 3 303.435 2.309 50 0 DEAAHN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)c2cccnc2)ncn1 ZINC000095351539 402026567 /nfs/dbraw/zinc/02/65/67/402026567.db2.gz ZTJFVDHKBCYVFM-DZGCQCFKSA-N 0 3 312.421 2.233 50 0 DEAAHN Cc1nc(-c2n[nH]c3c2CCCC3)n(C2CCN(C)CC2)n1 ZINC000095362258 402027790 /nfs/dbraw/zinc/02/77/90/402027790.db2.gz RJLGTYJHSKWSSC-UHFFFAOYSA-N 0 3 300.410 2.122 50 0 DEAAHN Cc1ccnc(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000095426339 402032390 /nfs/dbraw/zinc/03/23/90/402032390.db2.gz UDLFQKDSJAFWQY-IAGOWNOFSA-N 0 3 312.417 2.080 50 0 DEAAHN Cc1ccnc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000095426340 402032436 /nfs/dbraw/zinc/03/24/36/402032436.db2.gz UDLFQKDSJAFWQY-SJORKVTESA-N 0 3 312.417 2.080 50 0 DEAAHN Cc1cccc2[nH]c(CNC(=O)NCCN3CCCCC3)nc21 ZINC000095979982 402041479 /nfs/dbraw/zinc/04/14/79/402041479.db2.gz TVIQOCAUDARAOR-UHFFFAOYSA-N 0 3 315.421 2.156 50 0 DEAAHN Cc1cccc2nc(CNC(=O)NCCN3CCCCC3)[nH]c21 ZINC000095979982 402041482 /nfs/dbraw/zinc/04/14/82/402041482.db2.gz TVIQOCAUDARAOR-UHFFFAOYSA-N 0 3 315.421 2.156 50 0 DEAAHN OC[C@]1(NC[C@@H](O)c2ccccc2F)CCc2ccccc21 ZINC000095980398 402041507 /nfs/dbraw/zinc/04/15/07/402041507.db2.gz RJXKXSNGHTXWMQ-QZTJIDSGSA-N 0 3 301.361 2.283 50 0 DEAAHN COC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000095995170 402044825 /nfs/dbraw/zinc/04/48/25/402044825.db2.gz DAMNTHXNSLVQDP-HRCADAONSA-N 0 3 322.449 2.053 50 0 DEAAHN COCCN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000096000090 402045425 /nfs/dbraw/zinc/04/54/25/402045425.db2.gz WNWIPNNUJHLSGX-AWEZNQCLSA-N 0 3 320.437 2.364 50 0 DEAAHN Cc1c(Cl)cccc1NC(=O)CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000055089798 402075307 /nfs/dbraw/zinc/07/53/07/402075307.db2.gz XAURDIDTFFTYBH-GFCCVEGCSA-N 0 3 323.824 2.140 50 0 DEAAHN COCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000096413159 402080650 /nfs/dbraw/zinc/08/06/50/402080650.db2.gz KBDIYCLCJVBIMI-WBVHZDCISA-N 0 3 304.434 2.392 50 0 DEAAHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1ccc2c(c1)CCO2 ZINC000096491656 402095653 /nfs/dbraw/zinc/09/56/53/402095653.db2.gz UNWWRLYPZQYZPA-RDJZCZTQSA-N 0 3 323.458 2.109 50 0 DEAAHN C[C@H](Nc1cnn(CCN(C)C)c1)c1ccc2c(c1)OCCO2 ZINC000097037666 402101462 /nfs/dbraw/zinc/10/14/62/402101462.db2.gz JXTIBVBVLGMCJF-ZDUSSCGKSA-N 0 3 316.405 2.389 50 0 DEAAHN CC(C)Cc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc(=O)[nH]1 ZINC000097045172 402101962 /nfs/dbraw/zinc/10/19/62/402101962.db2.gz BKTHABGTNZLDKY-CZUORRHYSA-N 0 3 319.449 2.128 50 0 DEAAHN C[C@H](Sc1nnnn1CCN(C)C)c1nc2ccccc2o1 ZINC000097046751 402102391 /nfs/dbraw/zinc/10/23/91/402102391.db2.gz UXDJLJAQKGDZJM-JTQLQIEISA-N 0 3 318.406 2.229 50 0 DEAAHN Cc1ccc(CCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cn1 ZINC000097049385 402102782 /nfs/dbraw/zinc/10/27/82/402102782.db2.gz XGQDMBUCGATYNH-IRXDYDNUSA-N 0 3 316.449 2.058 50 0 DEAAHN O=C(C[C@@H]1CNCCO1)NCc1cccc(-c2ccccc2)c1 ZINC000097117069 402109992 /nfs/dbraw/zinc/10/99/92/402109992.db2.gz VWNCKRKPFKLRQW-GOSISDBHSA-N 0 3 310.397 2.348 50 0 DEAAHN Cc1cccc(NC[C@H]2CCN(CC(=O)N3CCCCC3)C2)n1 ZINC000097200848 402116114 /nfs/dbraw/zinc/11/61/14/402116114.db2.gz ZFGAUMXWGFCCBG-MRXNPFEDSA-N 0 3 316.449 2.136 50 0 DEAAHN Cc1nc(C(=O)N2CCC(N3CCSCC3)CC2)cs1 ZINC000096137521 402061616 /nfs/dbraw/zinc/06/16/16/402061616.db2.gz FPGFDFQLMJMLPM-UHFFFAOYSA-N 0 3 311.476 2.105 50 0 DEAAHN Cc1ccc(NC(=O)N2CCC[C@](CO)(CN(C)C)C2)cc1F ZINC000096162790 402064141 /nfs/dbraw/zinc/06/41/41/402064141.db2.gz KFOYMHFNLNGAJD-KRWDZBQOSA-N 0 3 323.412 2.302 50 0 DEAAHN CN1CCC(O)(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000097546601 402126787 /nfs/dbraw/zinc/12/67/87/402126787.db2.gz NIBVTGMAEAOEFU-DLBZAZTESA-N 0 3 316.445 2.286 50 0 DEAAHN Cc1ccn2cc(C(=O)NCCN3CCCCCC3)nc2c1 ZINC000097939009 402133201 /nfs/dbraw/zinc/13/32/01/402133201.db2.gz FVQYBZJPLCJVRL-UHFFFAOYSA-N 0 3 300.406 2.249 50 0 DEAAHN CC1(C)[C@H](N[C@@H]2CCN(c3ccccc3)C2=O)[C@H]2CCO[C@@H]21 ZINC000153618978 402156941 /nfs/dbraw/zinc/15/69/41/402156941.db2.gz VVHHGIRHDJVRCF-FPCVCCKLSA-N 0 3 300.402 2.195 50 0 DEAAHN COc1ccc([O-])c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000067846692 402174938 /nfs/dbraw/zinc/17/49/38/402174938.db2.gz KJROJMMYOSVMBU-ZDUSSCGKSA-N 0 3 306.406 2.109 50 0 DEAAHN COc1ccc([O-])c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000067846692 402174942 /nfs/dbraw/zinc/17/49/42/402174942.db2.gz KJROJMMYOSVMBU-ZDUSSCGKSA-N 0 3 306.406 2.109 50 0 DEAAHN CN1CC[C@H](CN[C@@H](C(N)=O)c2ccccc2)c2ccccc21 ZINC000106828566 402216952 /nfs/dbraw/zinc/21/69/52/402216952.db2.gz MMZKEXQIZUZBHD-CRAIPNDOSA-N 0 3 309.413 2.426 50 0 DEAAHN COCCN(C)CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000069584041 402232113 /nfs/dbraw/zinc/23/21/13/402232113.db2.gz YANYEJVYDGLYJL-UHFFFAOYSA-N 0 3 304.312 2.013 50 0 DEAAHN Cc1cc(C)n(Cc2cccc(C(=O)NC[C@H](C)N(C)C)c2)n1 ZINC000069625935 402235071 /nfs/dbraw/zinc/23/50/71/402235071.db2.gz STNAWTSOGSIPHM-HNNXBMFYSA-N 0 3 314.433 2.228 50 0 DEAAHN Cc1nc2ccccc2nc1CN1CCC[C@H]1Cn1cncn1 ZINC000069660991 402237803 /nfs/dbraw/zinc/23/78/03/402237803.db2.gz TVQBYQNVJPVBMC-AWEZNQCLSA-N 0 3 308.389 2.194 50 0 DEAAHN CC[C@@H]1CN(CCOc2cccc(C)c2)CCN1CCOC ZINC000069840503 402246235 /nfs/dbraw/zinc/24/62/35/402246235.db2.gz DLTYUCVAIJGLDW-QGZVFWFLSA-N 0 3 306.450 2.416 50 0 DEAAHN O[C@@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 ZINC000069848159 402247692 /nfs/dbraw/zinc/24/76/92/402247692.db2.gz HOSLHWVYLLVHRN-LRDDRELGSA-N 0 3 322.359 2.002 50 0 DEAAHN CN(C)C[C@@H]1CN(CCCc2nc3ccccc3o2)CCO1 ZINC000069950697 402252254 /nfs/dbraw/zinc/25/22/54/402252254.db2.gz GRAZIWOGGALLKY-CQSZACIVSA-N 0 3 303.406 2.023 50 0 DEAAHN CN1CCC[C@H](CNC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000069947856 402252264 /nfs/dbraw/zinc/25/22/64/402252264.db2.gz VOFNPLHSQRTVFI-CYBMUJFWSA-N 0 3 315.417 2.107 50 0 DEAAHN Cc1nc2n(n1)C[C@H](NCc1cnc(-c3ccccc3)nc1)CC2 ZINC000069969733 402253055 /nfs/dbraw/zinc/25/30/55/402253055.db2.gz SFWFLAFPYFDQPD-MRXNPFEDSA-N 0 3 320.400 2.148 50 0 DEAAHN COC[C@H](C)OC[C@H](O)CN1CCC[C@@H]1c1ccc(OC)cc1 ZINC000225570121 402321681 /nfs/dbraw/zinc/32/16/81/402321681.db2.gz HIDCYNSCVWFGTE-YXJHDRRASA-N 0 3 323.433 2.245 50 0 DEAAHN CN(C)C[C@@H](NC(=O)c1cnccn1)c1ccc(Cl)cc1 ZINC000225791180 402323534 /nfs/dbraw/zinc/32/35/34/402323534.db2.gz TWIJKLDTEIEQGO-CQSZACIVSA-N 0 3 304.781 2.163 50 0 DEAAHN CCOc1ccccc1C(=O)N1CCCN(CCCOC)CC1 ZINC000071792372 402277337 /nfs/dbraw/zinc/27/73/37/402277337.db2.gz FACDHQSGSKHLBH-UHFFFAOYSA-N 0 3 320.433 2.270 50 0 DEAAHN CC1(C)NC(=O)N(CCN2CCC(c3ccccc3)CC2)C1=O ZINC000071801980 402279009 /nfs/dbraw/zinc/27/90/09/402279009.db2.gz YKGPZHXRELQPHE-UHFFFAOYSA-N 0 3 315.417 2.196 50 0 DEAAHN Cc1cnn(C)c1CN(Cc1ccncc1)C1CCN(C)CC1 ZINC000215353855 402283143 /nfs/dbraw/zinc/28/31/43/402283143.db2.gz OAVVELHNHXQNIT-UHFFFAOYSA-N 0 3 313.449 2.220 50 0 DEAAHN CC(C)c1nc(CN2CCCO[C@@H](CN3CCCC3)C2)co1 ZINC000215342017 402283331 /nfs/dbraw/zinc/28/33/31/402283331.db2.gz QJTIRAMZVWELDD-INIZCTEOSA-N 0 3 307.438 2.485 50 0 DEAAHN C[C@H](NCc1cccnc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000071836993 402286856 /nfs/dbraw/zinc/28/68/56/402286856.db2.gz TWLVYVPWAGXEGQ-LBPRGKRZSA-N 0 3 305.403 2.304 50 0 DEAAHN CCN(CC1CCN(c2ccccn2)CC1)[C@@H]1C[C@@H](C)OC1=O ZINC000222034866 402305627 /nfs/dbraw/zinc/30/56/27/402305627.db2.gz ZLKIQEMXZLIVSS-GDBMZVCRSA-N 0 3 317.433 2.324 50 0 DEAAHN C[N@H+](CC(=O)[O-])Cc1cccc(OCCN2CCCCC2)c1 ZINC000222725697 402308572 /nfs/dbraw/zinc/30/85/72/402308572.db2.gz BHCTYSBZZWIWRX-UHFFFAOYSA-N 0 3 306.406 2.068 50 0 DEAAHN C[N@@H+](CC(=O)[O-])Cc1cccc(OCCN2CCCCC2)c1 ZINC000222725697 402308576 /nfs/dbraw/zinc/30/85/76/402308576.db2.gz BHCTYSBZZWIWRX-UHFFFAOYSA-N 0 3 306.406 2.068 50 0 DEAAHN CNCC(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000225474399 402318292 /nfs/dbraw/zinc/31/82/92/402318292.db2.gz RXZMUFSDSGZVAE-UHFFFAOYSA-N 0 3 314.385 2.129 50 0 DEAAHN CC(C)=CCCN1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC000244816747 402450299 /nfs/dbraw/zinc/45/02/99/402450299.db2.gz SNSTWYWWSFUVLN-IAGOWNOFSA-N 0 3 302.418 2.208 50 0 DEAAHN COc1cccc([C@H]2CCN(CCN3CCCC3=O)C2)c1OC ZINC000244873569 402450661 /nfs/dbraw/zinc/45/06/61/402450661.db2.gz WSGKNPWADCUYTR-AWEZNQCLSA-N 0 3 318.417 2.116 50 0 DEAAHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2conc2COC)C1 ZINC000241135474 402442921 /nfs/dbraw/zinc/44/29/21/402442921.db2.gz JPOXQYPLCOFGBE-CYBMUJFWSA-N 0 3 323.437 2.451 50 0 DEAAHN Fc1cccc(-c2nnc(CN3CCN4CCC[C@@H]4C3)o2)c1 ZINC000243885632 402446308 /nfs/dbraw/zinc/44/63/08/402446308.db2.gz ABCWNUZQRYKNIP-CQSZACIVSA-N 0 3 302.353 2.156 50 0 DEAAHN COCCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000170077816 402503152 /nfs/dbraw/zinc/50/31/52/402503152.db2.gz QPONBPPSGXCJNB-JKSUJKDBSA-N 0 3 311.447 2.316 50 0 DEAAHN CC[C@H](CO)N1CCN(CC2(CCOC)CCCCC2)CC1 ZINC000170603041 402506724 /nfs/dbraw/zinc/50/67/24/402506724.db2.gz ZDMRZWGBYUONEK-QGZVFWFLSA-N 0 3 312.498 2.362 50 0 DEAAHN O[C@H](CN1CCCC[C@H]1Cn1cncn1)c1ccc(F)cc1 ZINC000247761379 402575640 /nfs/dbraw/zinc/57/56/40/402575640.db2.gz HPISNHJEFYTMGA-JKSUJKDBSA-N 0 3 304.369 2.005 50 0 DEAAHN CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1c(C)nn(C)c1Cl ZINC000248063568 402581519 /nfs/dbraw/zinc/58/15/19/402581519.db2.gz VOKZTRYSFOXSCG-CHWSQXEVSA-N 0 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ZINC000534651111 334312092 /nfs/dbraw/zinc/31/20/92/334312092.db2.gz YSFHTWGFWMBUGU-KRWDZBQOSA-N 0 3 319.449 2.418 50 0 DEAAHN O=C(CCCc1cccs1)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000534668503 334319821 /nfs/dbraw/zinc/31/98/21/334319821.db2.gz QACYYSHZXZRYSR-GJZGRUSLSA-N 0 3 308.447 2.050 50 0 DEAAHN CC(C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1)S(C)(=O)=O ZINC000241383460 534294749 /nfs/dbraw/zinc/29/47/49/534294749.db2.gz MVMBPYWVLSERHT-VHDGCEQUSA-N 0 3 309.431 2.262 50 0 DEAAHN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000408524894 534297857 /nfs/dbraw/zinc/29/78/57/534297857.db2.gz KPBGZLGPANSQQB-MNOVXSKESA-N 0 3 319.796 2.275 50 0 DEAAHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(CC2CC2)C1=O ZINC000011753445 635742075 /nfs/dbraw/zinc/74/20/75/635742075.db2.gz HNPLSBUMFLPEND-GOSISDBHSA-N 0 3 320.408 2.021 50 0 DEAAHN COCCN1CCN([C@@H](C)Cc2ccc(C)cc2)CCC1=O ZINC000011813271 635783898 /nfs/dbraw/zinc/78/38/98/635783898.db2.gz RQHZQXSVABINJY-INIZCTEOSA-N 0 3 304.434 2.107 50 0 DEAAHN CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000157887018 646574450 /nfs/dbraw/zinc/57/44/50/646574450.db2.gz VPEWPSCRBAQFJX-OAHLLOKOSA-N 0 3 324.446 2.090 50 0 DEAAHN CSc1ccc(CN(CCO)C(=O)[C@@H](N)CC(C)C)cc1 ZINC000055309659 683922285 /nfs/dbraw/zinc/92/22/85/683922285.db2.gz IICVLVLHCBGFMA-HNNXBMFYSA-N 0 3 310.463 2.103 50 0 DEAAHN Cc1cc(CNC(=O)[C@@H]2CCN(Cc3ccc(F)cc3)C2)no1 ZINC000585090649 789695090 /nfs/dbraw/zinc/69/50/90/789695090.db2.gz IIZQVPKXKZADIG-CQSZACIVSA-N 0 3 317.364 2.260 50 0 DEAAHN CN(CC[C@H]1CCS(=O)(=O)C1)Cc1cccc2cnccc21 ZINC001506408561 1061951377 /nfs/dbraw/zinc/95/13/77/1061951377.db2.gz TUTWNHHWMABBDS-AWEZNQCLSA-N 0 3 318.442 2.491 50 0 DEAAHN C[C@@H](CCn1cccn1)NCc1csc(-c2cnccn2)n1 ZINC000821182198 1090577811 /nfs/dbraw/zinc/57/78/11/1090577811.db2.gz ZVYANVIXMHMEOH-LBPRGKRZSA-N 0 3 314.418 2.365 50 0 DEAAHN CCCCS(=O)(=O)NCC1(c2ccccc2)CCN(C)CC1 ZINC000822880434 1090649160 /nfs/dbraw/zinc/64/91/60/1090649160.db2.gz OJUFHXMBJOVQFX-UHFFFAOYSA-N 0 3 324.490 2.370 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