smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1cccc(CN(Cc2cnn(C)c2C)C(C)C)c1 ZINC001506420406 1032615584 /nfs/dbraw/zinc/61/55/84/1032615584.db2.gz CYYDSUGFHGJABB-UHFFFAOYSA-N 0 3 303.475 3.861 50 0 DHAAHN C[C@@H](N[C@@H](CO)c1ccsc1)c1cc2ccncc2s1 ZINC000657975678 1020056374 /nfs/dbraw/zinc/05/63/74/1020056374.db2.gz CZQYBXZHRWQWNL-MFKMUULPSA-N 0 3 304.440 3.742 50 0 DHAAHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)c1ccc(F)c(F)c1 ZINC000106789068 1023382916 /nfs/dbraw/zinc/38/29/16/1023382916.db2.gz BZEBIVQVTUXHKV-NXOUGTEYSA-N 0 3 322.399 3.501 50 0 DHAAHN CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H](C)CCc1ccccc1 ZINC000012353986 1024502682 /nfs/dbraw/zinc/50/26/82/1024502682.db2.gz XSCSLSHNONYAPT-HNAYVOBHSA-N 0 3 314.473 3.902 50 0 DHAAHN C[C@@H]1NCCO[C@H]1c1ccc(-c2cccc(-c3ncc[nH]3)c2)cc1 ZINC000585124209 1029795166 /nfs/dbraw/zinc/79/51/66/1029795166.db2.gz CBMZGTUVRQQXMJ-IFXJQAMLSA-N 0 3 319.408 3.793 50 0 DHAAHN O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]1C1CCC1 ZINC000102876071 1034664121 /nfs/dbraw/zinc/66/41/21/1034664121.db2.gz UDYUZIVHFBRLNG-LJQANCHMSA-N 0 3 312.457 3.687 50 0 DHAAHN C[C@@H]1C[C@@H]1[C@H](NCc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000095409653 185357013 /nfs/dbraw/zinc/35/70/13/185357013.db2.gz QBFAPZJYBWVMFE-XFIWCOJDSA-N 0 3 313.466 3.911 50 0 DHAAHN CC[C@@H](C)[C@H](C)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000095459377 185370674 /nfs/dbraw/zinc/37/06/74/185370674.db2.gz JQTVAIJKYXKXIO-ZJUUUORDSA-N 0 3 303.233 3.956 50 0 DHAAHN Cc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c(C)c1 ZINC000095463206 185371224 /nfs/dbraw/zinc/37/12/24/185371224.db2.gz ZDLUPHMYEUONRS-QGZVFWFLSA-N 0 3 310.441 3.554 50 0 DHAAHN COc1ccc(C[C@@H](C)N[C@@H](C)c2ncc(C)s2)cc1OC ZINC000097017230 185397422 /nfs/dbraw/zinc/39/74/22/185397422.db2.gz YCFROBBDZUUCHR-YPMHNXCESA-N 0 3 320.458 3.751 50 0 DHAAHN Fc1ccc(OC[C@@H]2CCCN(Cc3ccncc3)C2)cc1 ZINC000072130627 191044759 /nfs/dbraw/zinc/04/47/59/191044759.db2.gz BNAKXXUJFYRMES-MRXNPFEDSA-N 0 3 300.377 3.512 50 0 DHAAHN Fc1ccccc1OC[C@H]1CCCN(Cc2ccncc2)C1 ZINC000072147810 191052624 /nfs/dbraw/zinc/05/26/24/191052624.db2.gz XSAZSLWNVFQAKC-INIZCTEOSA-N 0 3 300.377 3.512 50 0 DHAAHN CNc1cc(-c2ccc(CN3CCCCC3)cn2)c2cc[nH]c2n1 ZINC000072149172 191054171 /nfs/dbraw/zinc/05/41/71/191054171.db2.gz OUQIPLQGRILHDR-UHFFFAOYSA-N 0 3 321.428 3.653 50 0 DHAAHN Cc1nc(CN2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)co1 ZINC000072162025 191062488 /nfs/dbraw/zinc/06/24/88/191062488.db2.gz DICNUVXHLJEBNY-CQSZACIVSA-N 0 3 310.401 3.547 50 0 DHAAHN CC(C)OC(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000072170171 191068624 /nfs/dbraw/zinc/06/86/24/191068624.db2.gz OWKUROPCQFPWDP-KRWDZBQOSA-N 0 3 304.434 3.820 50 0 DHAAHN Fc1ccc(CN2CCCN(Cc3ccsc3)CC2)cc1 ZINC000072171383 191069534 /nfs/dbraw/zinc/06/95/34/191069534.db2.gz FYWMOYRBDSTWOZ-UHFFFAOYSA-N 0 3 304.434 3.595 50 0 DHAAHN C[C@@H](O)CNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000072713959 191221164 /nfs/dbraw/zinc/22/11/64/191221164.db2.gz PPEWEBVNBFZBNP-SECBINFHSA-N 0 3 300.185 3.724 50 0 DHAAHN C[C@@H](NC1CC1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003427112 181018304 /nfs/dbraw/zinc/01/83/04/181018304.db2.gz VNWVKPZBFUQNQR-ZCFIWIBFSA-N 0 3 307.608 3.726 50 0 DHAAHN O[C@]12CCCC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)NCC2 ZINC000004012413 181061900 /nfs/dbraw/zinc/06/19/00/181061900.db2.gz VIWGFBVZEDAVEE-DFBGVHRSSA-N 0 3 300.229 3.949 50 0 DHAAHN Cc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000004592280 181127836 /nfs/dbraw/zinc/12/78/36/181127836.db2.gz FAHBKEWXDCXPEV-UHFFFAOYSA-N 0 3 322.452 3.523 50 0 DHAAHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000004746173 181146807 /nfs/dbraw/zinc/14/68/07/181146807.db2.gz PAPGUHQDPFIYQU-MRXNPFEDSA-N 0 3 320.864 3.565 50 0 DHAAHN O=C([C@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCCCC1 ZINC000004746165 181146975 /nfs/dbraw/zinc/14/69/75/181146975.db2.gz YTTDGPNIVAPBFP-INIZCTEOSA-N 0 3 320.864 3.565 50 0 DHAAHN COc1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1Cl ZINC000004841705 181161321 /nfs/dbraw/zinc/16/13/21/181161321.db2.gz LZZIUJXMYFZAIZ-ZDUSSCGKSA-N 0 3 321.804 3.877 50 0 DHAAHN CN(CCOC(=O)c1ccccc1Cl)Cc1ccccc1 ZINC000005674881 181270848 /nfs/dbraw/zinc/27/08/48/181270848.db2.gz RCKOCJPYSVPVFI-UHFFFAOYSA-N 0 3 303.789 3.629 50 0 DHAAHN CC(C)c1ccc(NC(=S)N[C@@H](C)CN2CCCCC2)cc1 ZINC000005807924 181285446 /nfs/dbraw/zinc/28/54/46/181285446.db2.gz WAECPGBPGOHGFZ-HNNXBMFYSA-N 0 3 319.518 3.971 50 0 DHAAHN COc1ccc(-c2nc(C)c([C@H](C)N[C@H]3CCOC3)s2)cc1 ZINC000089724328 192850750 /nfs/dbraw/zinc/85/07/50/192850750.db2.gz WCDVKXCCBYYWGA-FZMZJTMJSA-N 0 3 318.442 3.567 50 0 DHAAHN CCCNCc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248001938 202712221 /nfs/dbraw/zinc/71/22/21/202712221.db2.gz OAEUTGQYTBTZNE-UHFFFAOYSA-N 0 3 324.403 3.632 50 0 DHAAHN COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OC ZINC000006697663 181371343 /nfs/dbraw/zinc/37/13/43/181371343.db2.gz XTXGKZRVPGCQAU-UHFFFAOYSA-N 0 3 305.805 3.955 50 0 DHAAHN CCOC(=O)C1CCN(CCCCSc2ccccc2)CC1 ZINC000006702395 181373887 /nfs/dbraw/zinc/37/38/87/181373887.db2.gz QBZZWGSLLDYENO-UHFFFAOYSA-N 0 3 321.486 3.834 50 0 DHAAHN Cc1c2cc(C)ccc2[nH]c1CN1CC[C@@](O)(C2CC2)[C@H](C)C1 ZINC000091872300 193121123 /nfs/dbraw/zinc/12/11/23/193121123.db2.gz BSXXQHAVPCHBGH-VLIAUNLRSA-N 0 3 312.457 3.768 50 0 DHAAHN CSc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1 ZINC000019636204 182134480 /nfs/dbraw/zinc/13/44/80/182134480.db2.gz DZBMYDDGPWFNPS-UHFFFAOYSA-N 0 3 314.498 3.972 50 0 DHAAHN CCOc1ccccc1CN1CCC[C@@H](c2n[nH]cc2CC)C1 ZINC000019744989 182142150 /nfs/dbraw/zinc/14/21/50/182142150.db2.gz LWASBAYXMLHKKB-QGZVFWFLSA-N 0 3 313.445 3.750 50 0 DHAAHN CCc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000019842349 182155557 /nfs/dbraw/zinc/15/55/57/182155557.db2.gz YPHIJDNOBUJWNZ-UHFFFAOYSA-N 0 3 308.469 3.875 50 0 DHAAHN CN(C)CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000020018569 182179019 /nfs/dbraw/zinc/17/90/19/182179019.db2.gz KXPUBGLGWRCVAE-UHFFFAOYSA-N 0 3 313.228 3.905 50 0 DHAAHN Cc1noc(C)c1CCN1CCC2(C=Cc3ccccc32)CC1 ZINC000020535768 182227686 /nfs/dbraw/zinc/22/76/86/182227686.db2.gz HEKHPJKHJJRPOZ-UHFFFAOYSA-N 0 3 308.425 3.895 50 0 DHAAHN COc1cc(CNCc2ccc(C)cc2C)cc(OC)c1OC ZINC000039979623 183026852 /nfs/dbraw/zinc/02/68/52/183026852.db2.gz ITZXZYVTYKVAAW-UHFFFAOYSA-N 0 3 315.413 3.619 50 0 DHAAHN CCN(CC)[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000040007694 183027685 /nfs/dbraw/zinc/02/76/85/183027685.db2.gz LMFVHFTYVVTBIC-WMZOPIPTSA-N 0 3 300.446 3.542 50 0 DHAAHN C[C@H]1CCCN(CCNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000040110338 183037221 /nfs/dbraw/zinc/03/72/21/183037221.db2.gz ZMQBFUQUPRFWIQ-KRWDZBQOSA-N 0 3 322.452 3.815 50 0 DHAAHN c1coc(-c2noc(CN3CCC[C@H]3Cc3ccccc3)n2)c1 ZINC000044088508 183394753 /nfs/dbraw/zinc/39/47/53/183394753.db2.gz RQKNZQRLWLKFDZ-HNNXBMFYSA-N 0 3 309.369 3.537 50 0 DHAAHN CC[C@H](C)N(C)CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000106532048 194225990 /nfs/dbraw/zinc/22/59/90/194225990.db2.gz UPGMDYHXTQQDAH-JKSUJKDBSA-N 0 3 304.478 3.793 50 0 DHAAHN CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccc2CN(C)C)C1(C)C ZINC000058086863 184074099 /nfs/dbraw/zinc/07/40/99/184074099.db2.gz IZNOMXSITZRZIS-ZWKOTPCHSA-N 0 3 314.473 3.603 50 0 DHAAHN COc1cc(CNC(C)(C)c2ccccc2)cc(OC)c1OC ZINC000057994452 184065504 /nfs/dbraw/zinc/06/55/04/184065504.db2.gz DFKFOQYTNASRIV-UHFFFAOYSA-N 0 3 315.413 3.737 50 0 DHAAHN C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000058160749 184081898 /nfs/dbraw/zinc/08/18/98/184081898.db2.gz GWKFRPFDMSUKOX-HNAYVOBHSA-N 0 3 320.436 3.631 50 0 DHAAHN CCc1ccsc1C(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000059982684 184143394 /nfs/dbraw/zinc/14/33/94/184143394.db2.gz XVVRGHJYPHQIEL-OKILXGFUSA-N 0 3 322.518 3.797 50 0 DHAAHN CC(=O)Nc1ccc(CN(C)Cc2cccc3cnccc32)cc1 ZINC000065372606 184330173 /nfs/dbraw/zinc/33/01/73/184330173.db2.gz GVJXNZXOYTYNAX-UHFFFAOYSA-N 0 3 319.408 3.825 50 0 DHAAHN COc1cccc(C[C@H](C)NCc2nn(C)c3ccc(C)cc23)c1 ZINC000065466603 184350338 /nfs/dbraw/zinc/35/03/38/184350338.db2.gz LPMJDPMQUHQCQG-HNNXBMFYSA-N 0 3 323.440 3.611 50 0 DHAAHN COc1ccc(OCCN[C@H](C)c2cc(F)cc(F)c2)cc1 ZINC000065406188 184338465 /nfs/dbraw/zinc/33/84/65/184338465.db2.gz SNWZUKCZFWUISY-GFCCVEGCSA-N 0 3 307.340 3.703 50 0 DHAAHN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccc([S@](C)=O)cc1 ZINC000252476769 257258984 /nfs/dbraw/zinc/25/89/84/257258984.db2.gz BBRREWZPCAPMSZ-WHECPESLSA-N 0 3 317.429 3.901 50 0 DHAAHN FC(F)Oc1ccc(CN2CCC3(CCOCC3)CC2)cc1 ZINC000284005283 131040002 /nfs/dbraw/zinc/04/00/02/131040002.db2.gz DSPQQJDZWPVQDR-UHFFFAOYSA-N 0 3 311.372 3.681 50 0 DHAAHN CC(C)Oc1ccc([C@H](C)NCCn2ccnc2)cc1Cl ZINC000284461674 131082138 /nfs/dbraw/zinc/08/21/38/131082138.db2.gz TXOIAXMEJDXCLE-ZDUSSCGKSA-N 0 3 307.825 3.675 50 0 DHAAHN c1ccc(CN2CCC(c3nc(-c4ccncc4)no3)CC2)cc1 ZINC000265015142 526468664 /nfs/dbraw/zinc/46/86/64/526468664.db2.gz QZXDLOUECUSCGT-UHFFFAOYSA-N 0 3 320.396 3.511 50 0 DHAAHN Nc1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)ccn1 ZINC000191609748 527450187 /nfs/dbraw/zinc/45/01/87/527450187.db2.gz NVBMEHJYMHHABG-INIZCTEOSA-N 0 3 321.346 3.924 50 0 DHAAHN O[C@H](COCc1cccs1)CN1CCC[C@H]1c1ccsc1 ZINC000058581645 563699430 /nfs/dbraw/zinc/69/94/30/563699430.db2.gz KQJHYRJEUXJJMC-HOCLYGCPSA-N 0 3 323.483 3.524 50 0 DHAAHN FC(F)(F)[C@@H]1CCCn2c(CNC3CCCCCC3)nnc21 ZINC000089818913 563911551 /nfs/dbraw/zinc/91/15/51/563911551.db2.gz WJPJXKXVDLIUOF-GFCCVEGCSA-N 0 3 316.371 3.530 50 0 DHAAHN Cc1cccc([C@@H](CNC(=O)c2sccc2Cl)N(C)C)c1 ZINC000067974060 563493752 /nfs/dbraw/zinc/49/37/52/563493752.db2.gz SGSNSWSQHFSUQZ-CQSZACIVSA-N 0 3 322.861 3.743 50 0 DHAAHN CCN(CC)C(=O)[C@H]1CCCN(C/C(C)=C/c2ccccc2)C1 ZINC000001226168 563280214 /nfs/dbraw/zinc/28/02/14/563280214.db2.gz VZLZWBUPBPQWIB-FLXZHSAZSA-N 0 3 314.473 3.670 50 0 DHAAHN O=C(c1ccco1)N(C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000001741582 563294772 /nfs/dbraw/zinc/29/47/72/563294772.db2.gz GQFFAYCZGIIWGJ-UHFFFAOYSA-N 0 3 324.424 3.549 50 0 DHAAHN Cc1ccccc1C(O)(c1ccccc1C)[C@@H]1CN2CCC1CC2 ZINC000001846272 563296467 /nfs/dbraw/zinc/29/64/67/563296467.db2.gz OXDOWGVJMITMJL-OAQYLSRUSA-N 0 3 321.464 3.881 50 0 in-man DHAAHN Cc1csc(NC(=O)c2ccc(CN3CCCCC3)cc2)n1 ZINC000010555342 563326397 /nfs/dbraw/zinc/32/63/97/563326397.db2.gz OJAUWEOVOAKQIM-UHFFFAOYSA-N 0 3 315.442 3.690 50 0 DHAAHN Cc1cccc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)c1C ZINC000004981316 563328432 /nfs/dbraw/zinc/32/84/32/563328432.db2.gz NVJASHAARYNZFK-OAQYLSRUSA-N 0 3 320.480 3.983 50 0 DHAAHN CCC[C@H](NCc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 ZINC000010436138 563356969 /nfs/dbraw/zinc/35/69/69/563356969.db2.gz DBENSXQUUYTFGK-KRWDZBQOSA-N 0 3 323.440 3.508 50 0 DHAAHN Cc1nc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c[nH]1 ZINC000011664856 563358749 /nfs/dbraw/zinc/35/87/49/563358749.db2.gz XYDAALYRHDJYIK-HNNXBMFYSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1ncc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)[nH]1 ZINC000011664856 563358752 /nfs/dbraw/zinc/35/87/52/563358752.db2.gz XYDAALYRHDJYIK-HNNXBMFYSA-N 0 3 319.399 3.841 50 0 DHAAHN CC(C)/C=C/CN1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000011910277 563359881 /nfs/dbraw/zinc/35/98/81/563359881.db2.gz QRBUVXSKCGEILK-AATRIKPKSA-N 0 3 320.864 3.587 50 0 DHAAHN Cc1c(C)n(Cc2ccncc2)c2nc3c(c(N)c12)CCCC3 ZINC000012321392 563366471 /nfs/dbraw/zinc/36/64/71/563366471.db2.gz VCEIXEZLSVAAAJ-UHFFFAOYSA-N 0 3 306.413 3.557 50 0 DHAAHN CC(=O)c1ccc(N2CCN([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000012385108 563368550 /nfs/dbraw/zinc/36/85/50/563368550.db2.gz GTTRUHLJEHMXKG-KXBFYZLASA-N 0 3 300.446 3.590 50 0 DHAAHN CCOc1ccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012982365 563376261 /nfs/dbraw/zinc/37/62/61/563376261.db2.gz FNTXRPSAGWHVRI-LJQANCHMSA-N 0 3 324.424 3.521 50 0 DHAAHN Cc1c2ccccc2oc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000032781257 563393312 /nfs/dbraw/zinc/39/33/12/563393312.db2.gz VFLNEUICCIOSCQ-QGZVFWFLSA-N 0 3 322.408 3.774 50 0 DHAAHN Cn1cc(CN2CCC[C@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000014952429 563404574 /nfs/dbraw/zinc/40/45/74/563404574.db2.gz XETJDGVDXPQSIJ-CQSZACIVSA-N 0 3 319.399 3.543 50 0 DHAAHN c1nc(-c2ccccc2)sc1CN[C@@H]1COc2ccccc2C1 ZINC000014978054 563404779 /nfs/dbraw/zinc/40/47/79/563404779.db2.gz TXNRFINRRKIPGX-INIZCTEOSA-N 0 3 322.433 3.903 50 0 DHAAHN COc1cccc(CC[C@@H]2CCCN(Cc3[nH]cnc3C)C2)c1 ZINC000015064173 563406208 /nfs/dbraw/zinc/40/62/08/563406208.db2.gz KCQPXDPKKBRIMQ-KRWDZBQOSA-N 0 3 313.445 3.572 50 0 DHAAHN Cc1ccc(CN(CCn2c3ccccc3oc2=O)C2CC2)cc1 ZINC000027595309 563428882 /nfs/dbraw/zinc/42/88/82/563428882.db2.gz NVOOEBMLDYRVLX-UHFFFAOYSA-N 0 3 322.408 3.568 50 0 DHAAHN COc1cc(CN2CCC3(C=Cc4ccccc43)CC2)ccc1O ZINC000023279620 563449111 /nfs/dbraw/zinc/44/91/11/563449111.db2.gz LIYWCZOKNCNVPG-UHFFFAOYSA-N 0 3 321.420 3.961 50 0 DHAAHN CC(C)[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1cccs1 ZINC000037031195 563458127 /nfs/dbraw/zinc/45/81/27/563458127.db2.gz FHQXRTLBKQJZHF-WMLDXEAASA-N 0 3 302.443 3.652 50 0 DHAAHN CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000033028946 563467943 /nfs/dbraw/zinc/46/79/43/563467943.db2.gz IHXACGYPPGLOPZ-UXHICEINSA-N 0 3 324.468 3.989 50 0 DHAAHN CSc1ccc(CN(C/C=C/c2ccco2)CCO)cc1 ZINC000055360236 563474455 /nfs/dbraw/zinc/47/44/55/563474455.db2.gz VWPVCWYOZDLAGS-DUXPYHPUSA-N 0 3 303.427 3.509 50 0 DHAAHN Cc1ccsc1CN1CCN(c2cccc(C)c2C)CC1 ZINC000055543651 563476492 /nfs/dbraw/zinc/47/64/92/563476492.db2.gz PXTREVYMEZGSII-UHFFFAOYSA-N 0 3 300.471 3.996 50 0 DHAAHN CCCc1nc(CN[C@H]2CCc3ccc(OC)cc3C2)cs1 ZINC000067833787 563491666 /nfs/dbraw/zinc/49/16/66/563491666.db2.gz BLIMTGPHLHJYNS-HNNXBMFYSA-N 0 3 316.470 3.751 50 0 DHAAHN Cc1ccc(-c2ccccc2N2CCNCC2)c2cccnc12 ZINC000067881766 563493579 /nfs/dbraw/zinc/49/35/79/563493579.db2.gz FIKAYVOTUSBCQN-UHFFFAOYSA-N 0 3 303.409 3.620 50 0 DHAAHN O=C(Nc1cccc(Cl)c1)C1CCN(c2ccncc2)CC1 ZINC000033128912 563496967 /nfs/dbraw/zinc/49/69/67/563496967.db2.gz FMOAVOBQKHLMHV-UHFFFAOYSA-N 0 3 315.804 3.590 50 0 DHAAHN Cc1ncc(CN2CCC[C@@H](CCc3ccc(F)cc3)C2)n1C ZINC000071762456 563500818 /nfs/dbraw/zinc/50/08/18/563500818.db2.gz TYDGDCVGZGQASI-KRWDZBQOSA-N 0 3 315.436 3.712 50 0 DHAAHN CCCCCNCc1cnc(SC)nc1N(C)CCCC ZINC000022314351 563504590 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563926096 /nfs/dbraw/zinc/92/60/96/563926096.db2.gz UPYSFZPQWKDHHM-KRWDZBQOSA-N 0 3 320.436 3.865 50 0 DHAAHN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccccc3)CC[C@H]21 ZINC000114988339 563927971 /nfs/dbraw/zinc/92/79/71/563927971.db2.gz DEZFOMKNEZXHRG-DLBZAZTESA-N 0 3 316.445 3.518 50 0 DHAAHN Cc1ccc(C)c([C@@H](C)NCC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000095939077 563931923 /nfs/dbraw/zinc/93/19/23/563931923.db2.gz URDKRSKXTKIGJA-QZTJIDSGSA-N 0 3 324.468 3.874 50 0 DHAAHN COc1ccc([C@H](O)CN[C@H]2CC(C)(C)Cc3occc32)cc1 ZINC000095967219 563932845 /nfs/dbraw/zinc/93/28/45/563932845.db2.gz KYCWPILOBLKWQK-DLBZAZTESA-N 0 3 315.413 3.625 50 0 DHAAHN COc1ccc([C@H](O)CN[C@@H]2CC(C)(C)Cc3occc32)cc1 ZINC000095967218 563932873 /nfs/dbraw/zinc/93/28/73/563932873.db2.gz KYCWPILOBLKWQK-IAGOWNOFSA-N 0 3 315.413 3.625 50 0 DHAAHN COc1ccc([C@@H](O)CN[C@H]2CC(C)(C)Cc3occc32)cc1 ZINC000095967217 563932900 /nfs/dbraw/zinc/93/29/00/563932900.db2.gz KYCWPILOBLKWQK-IRXDYDNUSA-N 0 3 315.413 3.625 50 0 DHAAHN CC1(C)C[C@H](NCCc2cn3ccccc3n2)c2ccccc2O1 ZINC000095967252 563932981 /nfs/dbraw/zinc/93/29/81/563932981.db2.gz YCKCDDPJTSJMMB-KRWDZBQOSA-N 0 3 321.424 3.769 50 0 DHAAHN FC(F)(F)c1ccccc1[C@@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000095982163 563934024 /nfs/dbraw/zinc/93/40/24/563934024.db2.gz RSWWXFCLNFZALM-DZGCQCFKSA-N 0 3 309.335 3.854 50 0 DHAAHN COc1cccc2cc([C@H](C)NC[C@](C)(O)c3ccco3)oc21 ZINC000095987950 563934208 /nfs/dbraw/zinc/93/42/08/563934208.db2.gz YJFMIKGXJIVNPK-SGTLLEGYSA-N 0 3 315.369 3.593 50 0 DHAAHN COc1cccc2cc([C@@H](C)NC[C@@H](O)c3ccsc3)oc21 ZINC000095987938 563934212 /nfs/dbraw/zinc/93/42/12/563934212.db2.gz ZQAYESOMJXWIAK-BXUZGUMPSA-N 0 3 317.410 3.887 50 0 DHAAHN COc1cccc2cc([C@@H](C)NC[C@](C)(O)c3ccco3)oc21 ZINC000095987951 563934261 /nfs/dbraw/zinc/93/42/61/563934261.db2.gz YJFMIKGXJIVNPK-XIKOKIGWSA-N 0 3 315.369 3.593 50 0 DHAAHN CC(C)N(CCN(C)C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000095997199 563934645 /nfs/dbraw/zinc/93/46/45/563934645.db2.gz RQEWHLPVMSWXPZ-UHFFFAOYSA-N 0 3 320.811 3.713 50 0 DHAAHN CSc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000096026870 563935028 /nfs/dbraw/zinc/93/50/28/563935028.db2.gz BOOSMLAHHCEDBK-UHFFFAOYSA-N 0 3 312.482 3.773 50 0 DHAAHN Cc1cccc(Nc2ccccc2C(=O)OCCN(C)C)c1C ZINC000096026991 563935124 /nfs/dbraw/zinc/93/51/24/563935124.db2.gz IZIZMLZRJULVES-UHFFFAOYSA-N 0 3 312.413 3.765 50 0 DHAAHN CC[C@H](C(=O)OCCN(C)C)c1ccc(-c2ccccc2)cc1 ZINC000096028097 563935263 /nfs/dbraw/zinc/93/52/63/563935263.db2.gz POVOIKOTBBNISZ-IBGZPJMESA-N 0 3 311.425 3.952 50 0 DHAAHN Cc1ccccc1[C@H]1CCCN1Cc1nc2ccccc2[nH]c1=O ZINC000097201672 563937833 /nfs/dbraw/zinc/93/78/33/563937833.db2.gz HNYCDJKCINCFKC-LJQANCHMSA-N 0 3 319.408 3.569 50 0 DHAAHN Cc1cnc(CN2CCC[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000670457154 563945200 /nfs/dbraw/zinc/94/52/00/563945200.db2.gz OJNXKSGRPZSLRV-OAHLLOKOSA-N 0 3 301.821 3.818 50 0 DHAAHN COc1ccc2[nH]c(C)c(CN3CCCCCC3)c(=O)c2c1 ZINC000008700573 563949725 /nfs/dbraw/zinc/94/97/25/563949725.db2.gz VFIQTLIGTSXLML-UHFFFAOYSA-N 0 3 300.402 3.633 50 0 DHAAHN Cc1ccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)cc1 ZINC000069632636 563953965 /nfs/dbraw/zinc/95/39/65/563953965.db2.gz SSBPNZKRKPGQGB-UHFFFAOYSA-N 0 3 323.440 3.753 50 0 DHAAHN COc1cccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000071831344 563958964 /nfs/dbraw/zinc/95/89/64/563958964.db2.gz AZXPKJXHOOBHTQ-HNNXBMFYSA-N 0 3 324.424 3.673 50 0 DHAAHN O[C@H]1C[C@H](c2ccccc2)N(Cc2cccc3cccnc32)C1 ZINC000411920384 563962018 /nfs/dbraw/zinc/96/20/18/563962018.db2.gz CELAEBXJLGSYET-RBUKOAKNSA-N 0 3 304.393 3.543 50 0 DHAAHN COCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007539289 568412415 /nfs/dbraw/zinc/41/24/15/568412415.db2.gz SPFTWOPDOJSNPU-UHFFFAOYSA-N 0 3 300.185 3.989 50 0 DHAAHN Cc1ccc(CN[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000089633230 568420308 /nfs/dbraw/zinc/42/03/08/568420308.db2.gz AOCYPHLCTCQHHF-MSOLQXFVSA-N 0 3 324.468 3.611 50 0 DHAAHN O=C1CCCN1Cc1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000192664413 1032510542 /nfs/dbraw/zinc/51/05/42/1032510542.db2.gz NHICHJFLSUGJTN-GOSISDBHSA-N 0 3 324.424 3.569 50 0 DHAAHN Cc1cc(C(=O)Nc2ccccc2CN2CCCCC2)cc(C)n1 ZINC000952969703 1032674526 /nfs/dbraw/zinc/67/45/26/1032674526.db2.gz CKOHUSXWBHFJPF-UHFFFAOYSA-N 0 3 323.440 3.937 50 0 DHAAHN CCCOc1c(Cl)cccc1NC(=O)CN(C)C1CCCC1 ZINC000952983260 1032683358 /nfs/dbraw/zinc/68/33/58/1032683358.db2.gz PEPOIHPADVSMDR-UHFFFAOYSA-N 0 3 324.852 3.942 50 0 DHAAHN CCn1c(C)cc2cc(NC(=O)[C@@H](N)C3CCCCC3)ccc21 ZINC000952984018 1032681309 /nfs/dbraw/zinc/68/13/09/1032681309.db2.gz SPSNQSPUGSIBCJ-SFHVURJKSA-N 0 3 313.445 3.816 50 0 DHAAHN OC[C@@]1(CCCc2ccccc2)CCCN(Cc2ccncc2)C1 ZINC000012297528 1019924312 /nfs/dbraw/zinc/92/43/12/1019924312.db2.gz CCIBJXNQIPMCQK-NRFANRHFSA-N 0 3 324.468 3.679 50 0 DHAAHN Cc1cnc(C2CC2)n1[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000575550217 1020976195 /nfs/dbraw/zinc/97/61/95/1020976195.db2.gz RWZNLJCYZTXWHO-MRXNPFEDSA-N 0 3 317.383 3.794 50 0 DHAAHN Fc1ccccc1C1(NC2CCN(c3nccs3)CC2)CC1 ZINC000182242033 1025636799 /nfs/dbraw/zinc/63/67/99/1025636799.db2.gz HTBAJNQLFFVBQD-UHFFFAOYSA-N 0 3 317.433 3.530 50 0 DHAAHN CN(C)Cc1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000044276935 1029378555 /nfs/dbraw/zinc/37/85/55/1029378555.db2.gz HHOBMFVTEPCMDN-LJQANCHMSA-N 0 3 323.440 3.947 50 0 DHAAHN CN(C)Cc1cccc(NC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000044276936 1029379211 /nfs/dbraw/zinc/37/92/11/1029379211.db2.gz HHOBMFVTEPCMDN-IBGZPJMESA-N 0 3 323.440 3.947 50 0 DHAAHN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cc[nH]c(=O)c1 ZINC000585116950 1029774161 /nfs/dbraw/zinc/77/41/61/1029774161.db2.gz NFTYIHNFJZUUEI-JTQLQIEISA-N 0 3 316.792 3.510 50 0 DHAAHN Cc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000103469870 1033616353 /nfs/dbraw/zinc/61/63/53/1033616353.db2.gz OTTNJNYOLXALOF-UHFFFAOYSA-N 0 3 323.440 3.781 50 0 DHAAHN FC(F)(F)c1ccccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000084504680 1035329073 /nfs/dbraw/zinc/32/90/73/1035329073.db2.gz YDCZYQXIIKZQCL-CYBMUJFWSA-N 0 3 309.335 3.808 50 0 DHAAHN COc1ccc(CNC/C(C)=C/c2ccccc2)cc1NC(C)=O ZINC000078979869 185139781 /nfs/dbraw/zinc/13/97/81/185139781.db2.gz RRBKGILPOMSSMA-RVDMUPIBSA-N 0 3 324.424 3.847 50 0 DHAAHN COc1cc(C)c([C@H](C)NCc2cccc(O)c2)cc1OC ZINC000079331134 185165309 /nfs/dbraw/zinc/16/53/09/185165309.db2.gz YDTIJYFBQPGYCR-ZDUSSCGKSA-N 0 3 301.386 3.569 50 0 DHAAHN COc1ccc([C@H]2CCN(Cc3ccccc3NC(C)=O)C2)cc1 ZINC000092783591 185340993 /nfs/dbraw/zinc/34/09/93/185340993.db2.gz YXKUKKPJNCUFOV-KRWDZBQOSA-N 0 3 324.424 3.643 50 0 DHAAHN COc1ccccc1CC1CCN(Cc2ccc(O)cc2)CC1 ZINC000095467797 185371977 /nfs/dbraw/zinc/37/19/77/185371977.db2.gz ZRBMISVZTWVGRG-UHFFFAOYSA-N 0 3 311.425 3.856 50 0 DHAAHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000095459375 185370770 /nfs/dbraw/zinc/37/07/70/185370770.db2.gz JQTVAIJKYXKXIO-NXEZZACHSA-N 0 3 303.233 3.956 50 0 DHAAHN Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c(C)c1 ZINC000095463205 185371138 /nfs/dbraw/zinc/37/11/38/185371138.db2.gz ZDLUPHMYEUONRS-KRWDZBQOSA-N 0 3 310.441 3.554 50 0 DHAAHN Cc1cccc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000072143582 191049464 /nfs/dbraw/zinc/04/94/64/191049464.db2.gz SJKIUHQHURWTDB-MRXNPFEDSA-N 0 3 320.440 3.721 50 0 DHAAHN Fc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000072202848 191075715 /nfs/dbraw/zinc/07/57/15/191075715.db2.gz WKRJAQDKDZFLNS-UHFFFAOYSA-N 0 3 316.395 3.673 50 0 DHAAHN Cc1cccc(CN[C@@H]2CSC[C@H]2C)c1Br ZINC000253393521 186303678 /nfs/dbraw/zinc/30/36/78/186303678.db2.gz DYSKIDLOLXLQAJ-ZYHUDNBSSA-N 0 3 300.265 3.599 50 0 DHAAHN Cc1ccc(-c2nccn2C[C@@H](c2ccco2)N2CCCC2)o1 ZINC000072427090 191162054 /nfs/dbraw/zinc/16/20/54/191162054.db2.gz VSZOBGNMGKXQRV-HNNXBMFYSA-N 0 3 311.385 3.882 50 0 DHAAHN CCCC[C@H](C(=O)Nc1cccc2c1O[C@@H](C)C2)N(CC)CC ZINC000004062146 181067828 /nfs/dbraw/zinc/06/78/28/181067828.db2.gz MIVCUTMQBVUNCD-WMLDXEAASA-N 0 3 318.461 3.849 50 0 biogenic DHAAHN CN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000004724776 181143069 /nfs/dbraw/zinc/14/30/69/181143069.db2.gz AVQXSVWNHJNMRC-UHFFFAOYSA-N 0 3 302.805 3.801 50 0 DHAAHN Cc1cc(Cl)ccc1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000005073469 181201049 /nfs/dbraw/zinc/20/10/49/181201049.db2.gz FXAIWIDYRBAWFK-YOEHRIQHSA-N 0 3 319.832 3.739 50 0 DHAAHN Fc1cccc(Cl)c1CSc1nnc([C@@H]2CCCN2)o1 ZINC000005201286 181216295 /nfs/dbraw/zinc/21/62/95/181216295.db2.gz IPGRASLNPAJUSV-NSHDSACASA-N 0 3 313.785 3.579 50 0 DHAAHN C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)NCc1cccnc1 ZINC000005249603 181221637 /nfs/dbraw/zinc/22/16/37/181221637.db2.gz YOGMQUBAEAYSMA-RKVPGOIHSA-N 0 3 300.446 3.757 50 0 DHAAHN O=c1cc(C[NH2+]CCCC[C@H]2CCCO2)[n-]c2c(F)cccc12 ZINC000092038310 193146020 /nfs/dbraw/zinc/14/60/20/193146020.db2.gz DKGXZQUCCHFKEC-AWEZNQCLSA-N 0 3 318.392 3.518 50 0 DHAAHN Cc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 ZINC000019359858 182118604 /nfs/dbraw/zinc/11/86/04/182118604.db2.gz WUHIJFJIWDAJOE-UHFFFAOYSA-N 0 3 308.469 3.745 50 0 DHAAHN CC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019500000 182125840 /nfs/dbraw/zinc/12/58/40/182125840.db2.gz SEZBPXGYGXVRJL-INIZCTEOSA-N 0 3 322.452 3.773 50 0 DHAAHN CC[C@@H](C)c1ccccc1OCCCN1CCN(CC)CC1 ZINC000020390441 182213444 /nfs/dbraw/zinc/21/34/44/182213444.db2.gz WGLDNGJKCLVIFW-QGZVFWFLSA-N 0 3 304.478 3.607 50 0 DHAAHN CCN(CC)[C@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000040007702 183027207 /nfs/dbraw/zinc/02/72/07/183027207.db2.gz LMFVHFTYVVTBIC-SJLPKXTDSA-N 0 3 300.446 3.542 50 0 DHAAHN CCCCCNC(=O)C1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000056284266 184009202 /nfs/dbraw/zinc/00/92/02/184009202.db2.gz PPUVVGUZHJIPEC-OAHLLOKOSA-N 0 3 320.452 3.905 50 0 DHAAHN O=C(CCC1CCCC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000057288282 184031834 /nfs/dbraw/zinc/03/18/34/184031834.db2.gz RYMPBFXVBIFCEW-INIZCTEOSA-N 0 3 320.502 3.972 50 0 DHAAHN CC(C)c1nc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cs1 ZINC000240894762 256602591 /nfs/dbraw/zinc/60/25/91/256602591.db2.gz IPPWJIGSPWLOAK-RBSFLKMASA-N 0 3 306.475 3.704 50 0 DHAAHN OC(CNCc1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000020219104 257268875 /nfs/dbraw/zinc/26/88/75/257268875.db2.gz ASJBAJQOLLOVIC-UHFFFAOYSA-N 0 3 321.395 3.851 50 0 DHAAHN CC(C)Cc1ncc(CNC[C@H]2COc3ccccc32)s1 ZINC000288664240 131335035 /nfs/dbraw/zinc/33/50/35/131335035.db2.gz VYUHDFCKTFUYEW-ZDUSSCGKSA-N 0 3 302.443 3.607 50 0 DHAAHN COC(=O)c1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000015070750 332394704 /nfs/dbraw/zinc/39/47/04/332394704.db2.gz DHCBGSWHFHBXGZ-LJQANCHMSA-N 0 3 324.424 3.550 50 0 DHAAHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1nc(C)ccc1O ZINC000103343267 332968763 /nfs/dbraw/zinc/96/87/63/332968763.db2.gz FBABELBPRRMXRP-AWEZNQCLSA-N 0 3 300.402 3.800 50 0 DHAAHN CCc1nccn1C[C@@H](C)NC1(c2ccc(Cl)cc2)CC1 ZINC000534658842 334314876 /nfs/dbraw/zinc/31/48/76/334314876.db2.gz UVOYORBBXIAMCV-CYBMUJFWSA-N 0 3 303.837 3.766 50 0 DHAAHN Clc1ccc(-c2cc(CN[C@H]3CCCSC3)on2)cc1 ZINC000534672333 334320960 /nfs/dbraw/zinc/32/09/60/334320960.db2.gz RYSPUAHGONDASJ-ZDUSSCGKSA-N 0 3 308.834 3.980 50 0 DHAAHN C[C@H](CO)NCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000225517432 563758015 /nfs/dbraw/zinc/75/80/15/563758015.db2.gz CZHYIMYRGLRRBF-SECBINFHSA-N 0 3 300.185 3.724 50 0 DHAAHN COc1cccc(CN(CCC(C)C)C[C@@H](O)C(C)C)c1OC ZINC000036097286 563892796 /nfs/dbraw/zinc/89/27/96/563892796.db2.gz MAVRANRJHVRQIC-QGZVFWFLSA-N 0 3 323.477 3.569 50 0 DHAAHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1CCCSC1 ZINC000097371192 563336731 /nfs/dbraw/zinc/33/67/31/563336731.db2.gz IMQDRVVRPTXCGC-JOYOIKCWSA-N 0 3 321.412 3.608 50 0 DHAAHN O=C(CCN1CCc2ccccc2C1)Nc1ccc2c(c1)CCC2 ZINC000000176280 563227866 /nfs/dbraw/zinc/22/78/66/563227866.db2.gz XGGFCKFLFFWPJS-UHFFFAOYSA-N 0 3 320.436 3.562 50 0 DHAAHN COc1cc([C@H](C)N[C@@H](C)[C@H]2CCCO2)ccc1OC(F)F ZINC000246836393 563233597 /nfs/dbraw/zinc/23/35/97/563233597.db2.gz BYZNMDOTPVDFBT-GMXVVIOVSA-N 0 3 315.360 3.515 50 0 DHAAHN CC(C)(CO)NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000000359842 563244177 /nfs/dbraw/zinc/24/41/77/563244177.db2.gz SPEODCKLJMQURM-UHFFFAOYSA-N 0 3 319.832 3.780 50 0 DHAAHN CCOc1c(Cl)cc(CNC[C@@H]2CCCO2)cc1Cl ZINC000010474500 563357440 /nfs/dbraw/zinc/35/74/40/563357440.db2.gz RKRFXVCBJPNMJU-NSHDSACASA-N 0 3 304.217 3.661 50 0 DHAAHN Cc1nc(CN2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c[nH]1 ZINC000011664855 563358838 /nfs/dbraw/zinc/35/88/38/563358838.db2.gz XYDAALYRHDJYIK-OAHLLOKOSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1ncc(CN2CCC[C@H](CCc3ccc(F)c(F)c3)C2)[nH]1 ZINC000011664855 563358840 /nfs/dbraw/zinc/35/88/40/563358840.db2.gz XYDAALYRHDJYIK-OAHLLOKOSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000032779523 563393434 /nfs/dbraw/zinc/39/34/34/563393434.db2.gz MUNGABRXYJBQKZ-LJQANCHMSA-N 0 3 323.440 3.954 50 0 DHAAHN CN(C)Cc1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1 ZINC000032818106 563398330 /nfs/dbraw/zinc/39/83/30/563398330.db2.gz OYCJHTLJXPCARV-UHFFFAOYSA-N 0 3 318.367 3.598 50 0 DHAAHN Cc1noc(C)c1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825169 563436068 /nfs/dbraw/zinc/43/60/68/563436068.db2.gz JSVOPBFKMDIVSQ-CQSZACIVSA-N 0 3 311.385 3.812 50 0 DHAAHN c1ccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000000220693 563447081 /nfs/dbraw/zinc/44/70/81/563447081.db2.gz FSAWWDNTYVTGLO-UHFFFAOYSA-N 0 3 321.468 3.930 50 0 DHAAHN Cc1cc(OCCCCN2CCN(C)CC2)cc(C(C)C)c1 ZINC000022034445 563448947 /nfs/dbraw/zinc/44/89/47/563448947.db2.gz DXXBBGPBAMXDGM-UHFFFAOYSA-N 0 3 304.478 3.525 50 0 DHAAHN C[C@H](CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1 ZINC000035287330 563452585 /nfs/dbraw/zinc/45/25/85/563452585.db2.gz GDOPUQCTURWFRZ-LLVKDONJSA-N 0 3 311.212 3.946 50 0 DHAAHN Cc1ccc(SCCN(C)Cc2nc(C)ccc2O)cc1 ZINC000055270564 563474028 /nfs/dbraw/zinc/47/40/28/563474028.db2.gz HSNALMMLHSQWOX-UHFFFAOYSA-N 0 3 302.443 3.628 50 0 DHAAHN CC(C)C[C@H](NC[C@](C)(O)c1cccs1)c1ccccn1 ZINC000095422975 563477201 /nfs/dbraw/zinc/47/72/01/563477201.db2.gz PWHSZVALJYDNOB-RDJZCZTQSA-N 0 3 304.459 3.728 50 0 DHAAHN CC1(C)Cc2cc(CN3CCC[C@@H](c4cc[nH]n4)C3)ccc2O1 ZINC000067541400 563487529 /nfs/dbraw/zinc/48/75/29/563487529.db2.gz CFYAHQCOCWWVFQ-OAHLLOKOSA-N 0 3 311.429 3.503 50 0 DHAAHN Cc1ccc(CN(CCCO)Cc2c[nH]c3ccccc23)s1 ZINC000067714152 563489772 /nfs/dbraw/zinc/48/97/72/563489772.db2.gz LGUAAWCUOQRNPX-UHFFFAOYSA-N 0 3 314.454 3.922 50 0 DHAAHN C(=C/c1ccccn1)\c1ccc(O[C@@]23CCN(C2)CCC3)cc1 ZINC000067713065 563489794 /nfs/dbraw/zinc/48/97/94/563489794.db2.gz OSWUNJBRKQQUHS-FKIZTMCRSA-N 0 3 306.409 3.869 50 0 DHAAHN CN(C)Cc1csc(-c2nccn2Cc2ccsc2)c1 ZINC000067739669 563489866 /nfs/dbraw/zinc/48/98/66/563489866.db2.gz ZBSKCKVNNLDYGR-UHFFFAOYSA-N 0 3 303.456 3.783 50 0 DHAAHN Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000067742159 563490785 /nfs/dbraw/zinc/49/07/85/563490785.db2.gz WTULYTLDLHBBGN-KRWDZBQOSA-N 0 3 322.452 3.734 50 0 DHAAHN c1cc([C@@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)n[nH]1 ZINC000067805642 563491146 /nfs/dbraw/zinc/49/11/46/563491146.db2.gz JQGOYZLPDGQVFP-OAHLLOKOSA-N 0 3 313.449 3.560 50 0 DHAAHN FC(F)(F)c1cccnc1CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000097034999 563504254 /nfs/dbraw/zinc/50/42/54/563504254.db2.gz PSEFAMJHVCYWPT-DZGCQCFKSA-N 0 3 324.350 3.570 50 0 DHAAHN c1ccc(-c2noc(C3CCN(c4ccncc4)CC3)n2)cc1 ZINC000077287310 563508270 /nfs/dbraw/zinc/50/82/70/563508270.db2.gz FMLQTKLLZDPKCE-UHFFFAOYSA-N 0 3 306.369 3.516 50 0 DHAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccoc2)cc1 ZINC000077320887 563509363 /nfs/dbraw/zinc/50/93/63/563509363.db2.gz PHTSPYXJOAASHJ-GOSISDBHSA-N 0 3 312.413 3.709 50 0 DHAAHN Cc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000009062767 563524755 /nfs/dbraw/zinc/52/47/55/563524755.db2.gz IRSANPNATWIUEU-UHFFFAOYSA-N 0 3 308.425 3.846 50 0 DHAAHN C[C@@H](Cc1cnccn1)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000097609956 563540070 /nfs/dbraw/zinc/54/00/70/563540070.db2.gz WYFBYLABXGWHLQ-LBPRGKRZSA-N 0 3 309.335 3.558 50 0 DHAAHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000097631888 563541185 /nfs/dbraw/zinc/54/11/85/563541185.db2.gz YWKJOBMRIXKOCV-SFHVURJKSA-N 0 3 309.413 3.521 50 0 DHAAHN CCOc1cc([C@H]2NCCc3c4ccccc4[nH]c32)ccc1O ZINC000000211979 563578528 /nfs/dbraw/zinc/57/85/28/563578528.db2.gz LJSUVYWGJOWVJF-GOSISDBHSA-N 0 3 308.381 3.507 50 0 biogenic DHAAHN CC(C)Oc1ccc(CNCCOc2ccccn2)cc1Cl ZINC000113395277 563580987 /nfs/dbraw/zinc/58/09/87/563580987.db2.gz XBHNAZKNPKICIK-UHFFFAOYSA-N 0 3 320.820 3.691 50 0 DHAAHN CC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1cccc(C)c1 ZINC000248074387 563599917 /nfs/dbraw/zinc/59/99/17/563599917.db2.gz IBOBGBNMCGIYMT-OALUTQOASA-N 0 3 314.473 3.923 50 0 DHAAHN COc1ccccc1-c1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000248876851 563609526 /nfs/dbraw/zinc/60/95/26/563609526.db2.gz CMZACAIKCXPTHJ-FRRDWIJNSA-N 0 3 301.390 3.679 50 0 DHAAHN Fc1ccc2c(c1)[C@@H](NCc1cccc3cnccc31)CCO2 ZINC000189584829 563640573 /nfs/dbraw/zinc/64/05/73/563640573.db2.gz PXAUBGGVZMCNLM-SFHVURJKSA-N 0 3 308.356 3.987 50 0 DHAAHN Cc1noc(CCCN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000107148411 563682718 /nfs/dbraw/zinc/68/27/18/563682718.db2.gz WHNBNJYPCKYWTM-WBMJQRKESA-N 0 3 315.417 3.692 50 0 DHAAHN C[C@@H](c1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 ZINC000049484663 563701822 /nfs/dbraw/zinc/70/18/22/563701822.db2.gz XWOMNKOTZUTOSR-LBPRGKRZSA-N 0 3 311.410 3.959 50 0 DHAAHN C[C@H](NCC(=O)N(C)Cc1ccco1)c1ccc2ccccc2c1 ZINC000049581181 563702364 /nfs/dbraw/zinc/70/23/64/563702364.db2.gz WZIIWJXIRRIQAP-HNNXBMFYSA-N 0 3 322.408 3.742 50 0 DHAAHN CN(C)Cc1cccc(C(=O)N2CCC[C@H](C(C)(C)C)C2)c1 ZINC000225444002 563755078 /nfs/dbraw/zinc/75/50/78/563755078.db2.gz FSRHIJFQUMMLOQ-KRWDZBQOSA-N 0 3 302.462 3.647 50 0 DHAAHN FCCn1ncnc1CN1CCCCC[C@@H]1C1CCCCC1 ZINC000241446968 563777162 /nfs/dbraw/zinc/77/71/62/563777162.db2.gz NQARMOUXXHETAR-MRXNPFEDSA-N 0 3 308.445 3.573 50 0 DHAAHN CC(C)n1nc(CNCCc2ccccc2)c(-c2ccccc2)n1 ZINC000248036211 563782547 /nfs/dbraw/zinc/78/25/47/563782547.db2.gz ZBQASHOKCHQDSA-UHFFFAOYSA-N 0 3 320.440 3.858 50 0 DHAAHN Cc1ccccc1Cn1nc(CNC(C)C)c(-c2ccccc2)n1 ZINC000248164296 563782913 /nfs/dbraw/zinc/78/29/13/563782913.db2.gz QOVRKIJLDVFOED-UHFFFAOYSA-N 0 3 320.440 3.800 50 0 DHAAHN Cc1ccccc1[C@@](O)(Cc1ccccc1)[C@H]1CN2CCC1CC2 ZINC000001259761 563810110 /nfs/dbraw/zinc/81/01/10/563810110.db2.gz FPDWKSDUHWWBCL-VXKWHMMOSA-N 0 3 321.464 3.767 50 0 DHAAHN COc1ccc([C@@H](NCc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000032124097 563811628 /nfs/dbraw/zinc/81/16/28/563811628.db2.gz UDAWBYPLNRJPMH-IBGZPJMESA-N 0 3 313.397 3.911 50 0 biogenic DHAAHN CN(C)c1cccc(CN(C)Cc2cccc3cccnc32)c1 ZINC000083855368 563813907 /nfs/dbraw/zinc/81/39/07/563813907.db2.gz DFPPRQNKNVZAAX-UHFFFAOYSA-N 0 3 305.425 3.933 50 0 DHAAHN Cc1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1Cl ZINC000084183003 563824717 /nfs/dbraw/zinc/82/47/17/563824717.db2.gz SHFNSQHTHHWPEC-BBRMVZONSA-N 0 3 321.852 3.596 50 0 DHAAHN C[C@@H]1C[C@@H](C)CN(C(=O)CN(CC2CCCCC2)C2CC2)C1 ZINC000084686223 563829706 /nfs/dbraw/zinc/82/97/06/563829706.db2.gz BQYGAOQMYHGSMX-HZPDHXFCSA-N 0 3 306.494 3.536 50 0 DHAAHN C[C@@H](CN1CCCC1=O)NCc1sc2ccccc2c1Cl ZINC000037997675 563898799 /nfs/dbraw/zinc/89/87/99/563898799.db2.gz DVYBBRXKJVFAEZ-NSHDSACASA-N 0 3 322.861 3.655 50 0 DHAAHN C[C@H](CN1CCCC1=O)NCc1sc2ccccc2c1Cl ZINC000037997676 563898819 /nfs/dbraw/zinc/89/88/19/563898819.db2.gz DVYBBRXKJVFAEZ-LLVKDONJSA-N 0 3 322.861 3.655 50 0 DHAAHN Cc1n[nH]c(C)c1CN1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000170593493 563907116 /nfs/dbraw/zinc/90/71/16/563907116.db2.gz NMMATDKDIJMNCJ-UHFFFAOYSA-N 0 3 306.413 3.797 50 0 DHAAHN CC1=C(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CCC1 ZINC000089919749 563912445 /nfs/dbraw/zinc/91/24/45/563912445.db2.gz IDLINHCIRHTNFT-UHFFFAOYSA-N 0 3 322.836 3.719 50 0 DHAAHN CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000037619324 563919342 /nfs/dbraw/zinc/91/93/42/563919342.db2.gz OSLLVFGCOKJNNK-ZANVPECISA-N 0 3 303.233 3.688 50 0 DHAAHN C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000225444001 563928228 /nfs/dbraw/zinc/92/82/28/563928228.db2.gz SDJLWMHAPFDCMV-SJKOYZFVSA-N 0 3 318.367 3.574 50 0 DHAAHN Cc1ccc(NC(=O)c2cccc3cc[nH]c32)c(CN(C)C)c1 ZINC000080287623 563930996 /nfs/dbraw/zinc/93/09/96/563930996.db2.gz VIVCOCUQIKAHNR-UHFFFAOYSA-N 0 3 307.397 3.790 50 0 DHAAHN Cc1nccn1CCCCN[C@@H](C)c1nc2ccccc2s1 ZINC000095423164 563931566 /nfs/dbraw/zinc/93/15/66/563931566.db2.gz KQFMKISPPPKERI-ZDUSSCGKSA-N 0 3 314.458 3.932 50 0 DHAAHN CCCCN(C)Cc1c(C)[nH]c2ccc(OCC)cc2c1=O ZINC000008584352 563949184 /nfs/dbraw/zinc/94/91/84/563949184.db2.gz PRQBRKQUPBQXIS-UHFFFAOYSA-N 0 3 302.418 3.879 50 0 aggregator DHAAHN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCC[C@@H](C)C1 ZINC000008717523 563950131 /nfs/dbraw/zinc/95/01/31/563950131.db2.gz XCHYXSOBLQFCNN-CYBMUJFWSA-N 0 3 313.445 3.547 50 0 DHAAHN CCN1CCC[C@H]1CNC(=O)c1cc2c(s1)CCCCCC2 ZINC000068711317 563951060 /nfs/dbraw/zinc/95/10/60/563951060.db2.gz UUWYEOJMPVQIMQ-HNNXBMFYSA-N 0 3 320.502 3.621 50 0 DHAAHN CN1CCC(Nc2ccccc2NC(=O)CC(C)(C)C)CC1 ZINC000069459097 563953028 /nfs/dbraw/zinc/95/30/28/563953028.db2.gz OABJCYUOPNMJKP-UHFFFAOYSA-N 0 3 303.450 3.567 50 0 DHAAHN CC(=O)Nc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1 ZINC000022023173 1013607119 /nfs/dbraw/zinc/60/71/19/1013607119.db2.gz ARVCRDQDIBPFMH-IBGZPJMESA-N 0 3 309.413 3.767 50 0 DHAAHN C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000078966628 1014241837 /nfs/dbraw/zinc/24/18/37/1014241837.db2.gz VTEJOMZVGODZSE-AWEZNQCLSA-N 0 3 310.441 3.934 50 0 DHAAHN Cc1cc(CN2CCC[C@@H](CCc3ccccc3F)C2)n[nH]1 ZINC000011935292 1019584057 /nfs/dbraw/zinc/58/40/57/1019584057.db2.gz JRGIEGGZGXBBRI-HNNXBMFYSA-N 0 3 301.409 3.702 50 0 DHAAHN CC(C)c1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)s1 ZINC000186217850 1020017532 /nfs/dbraw/zinc/01/75/32/1020017532.db2.gz IMRJWXQCKPPGIN-OAHLLOKOSA-N 0 3 320.502 3.962 50 0 DHAAHN CCCN(Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036096296 1021209212 /nfs/dbraw/zinc/20/92/12/1021209212.db2.gz ZJSMBWIYKLPNHJ-SFHVURJKSA-N 0 3 301.405 3.641 50 0 DHAAHN Cc1cc(C)n(-c2cccc(CN3CCC(F)(F)CC3)c2)n1 ZINC000215027366 1024522113 /nfs/dbraw/zinc/52/21/13/1024522113.db2.gz IJFFCUKEOABNMW-UHFFFAOYSA-N 0 3 305.372 3.720 50 0 DHAAHN Cc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000006721906 1025128511 /nfs/dbraw/zinc/12/85/11/1025128511.db2.gz CMQKORYZVNPMIX-QUCCMNQESA-N 0 3 320.436 3.752 50 0 DHAAHN COc1cc(C)c([C@@H](C)NCc2cccc(O)c2)cc1OC ZINC000079331127 185165363 /nfs/dbraw/zinc/16/53/63/185165363.db2.gz YDTIJYFBQPGYCR-CYBMUJFWSA-N 0 3 301.386 3.569 50 0 DHAAHN C[S@@](=O)c1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000090220866 185287027 /nfs/dbraw/zinc/28/70/27/185287027.db2.gz PUGUABGYFUOGDQ-QRWLVFNGSA-N 0 3 305.468 3.653 50 0 DHAAHN CC1CCN(C(=O)Nc2ccc(SCCN(C)C)cc2)CC1 ZINC000095396865 185353106 /nfs/dbraw/zinc/35/31/06/185353106.db2.gz NQNKYOHZRCDDSJ-UHFFFAOYSA-N 0 3 321.490 3.604 50 0 DHAAHN COc1cc(OC)c([C@H](C)NCCc2ccccn2)cc1Cl ZINC000095419164 185359839 /nfs/dbraw/zinc/35/98/39/185359839.db2.gz IOEGCWWQINLBEV-LBPRGKRZSA-N 0 3 320.820 3.646 50 0 DHAAHN Cc1ccsc1[C@@H](C)NCc1ccc(Cn2cncn2)cc1 ZINC000095419762 185360133 /nfs/dbraw/zinc/36/01/33/185360133.db2.gz FJHXGVKFBKPZKY-CQSZACIVSA-N 0 3 312.442 3.547 50 0 DHAAHN C[C@H](NC[C@@H](O)c1ccco1)c1ccc(SC(F)F)cc1 ZINC000095419736 185360285 /nfs/dbraw/zinc/36/02/85/185360285.db2.gz NJFKIUJRPMXIFZ-GXFFZTMASA-N 0 3 313.369 3.979 50 0 DHAAHN Cc1ncsc1CN[C@@H](C)Cc1nc2ccccc2s1 ZINC000095421968 185360745 /nfs/dbraw/zinc/36/07/45/185360745.db2.gz BBMYMHSUWPDQSA-JTQLQIEISA-N 0 3 303.456 3.782 50 0 DHAAHN COCCNc1ccc(CN[C@@H](C)c2sccc2C)cc1 ZINC000095421904 185360887 /nfs/dbraw/zinc/36/08/87/185360887.db2.gz LIOIWZDEPSOJHE-AWEZNQCLSA-N 0 3 304.459 3.966 50 0 DHAAHN OCc1cccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000095421976 185360949 /nfs/dbraw/zinc/36/09/49/185360949.db2.gz NUAKBEGJOSRDTR-SFHVURJKSA-N 0 3 309.409 3.715 50 0 DHAAHN C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H](C)c1cncc(F)c1 ZINC000097022787 185398398 /nfs/dbraw/zinc/39/83/98/185398398.db2.gz XQELPOJZVOKLSL-PEBVRCNWSA-N 0 3 306.356 3.523 50 0 DHAAHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccccc1Br ZINC000083704516 192379720 /nfs/dbraw/zinc/37/97/20/192379720.db2.gz GTMIWUDLXGRLPE-DZGCQCFKSA-N 0 3 323.278 3.508 50 0 DHAAHN Cc1nn(C)cc1CN1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071749957 191022063 /nfs/dbraw/zinc/02/20/63/191022063.db2.gz SKMGWZRXFVBEBY-QGZVFWFLSA-N 0 3 315.436 3.712 50 0 DHAAHN COc1ccc2c(c1)[nH]c1c2CCN(Cc2ccccc2)CC1 ZINC000071770646 191030509 /nfs/dbraw/zinc/03/05/09/191030509.db2.gz FZKKOZRHEXFDMG-UHFFFAOYSA-N 0 3 306.409 3.777 50 0 DHAAHN CCCCc1ncc(CN(C)Cc2cccc3ncccc23)[nH]1 ZINC000072123990 191041687 /nfs/dbraw/zinc/04/16/87/191041687.db2.gz BUVNMOYMLMPKGE-UHFFFAOYSA-N 0 3 308.429 3.933 50 0 DHAAHN Cc1noc(C)c1CN1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000072144416 191050860 /nfs/dbraw/zinc/05/08/60/191050860.db2.gz QCJIDZPRVXEAGG-QGZVFWFLSA-N 0 3 314.429 3.984 50 0 DHAAHN Cc1cccc2nc([C@@H]3CCCN(Cc4ncccc4F)C3)[nH]c21 ZINC000072149895 191056340 /nfs/dbraw/zinc/05/63/40/191056340.db2.gz VZMUJSWYQREYRG-CQSZACIVSA-N 0 3 324.403 3.785 50 0 DHAAHN CCC(=O)N[C@@H]1CCCN(CCc2ccc(C(C)(C)C)cc2)C1 ZINC000225638343 186285395 /nfs/dbraw/zinc/28/53/95/186285395.db2.gz RYTFVTQFUNEEJP-GOSISDBHSA-N 0 3 316.489 3.517 50 0 DHAAHN C[C@@H](C1CCN(Cc2ccc([O-])c(Cl)c2)CC1)[NH+]1CCCC1 ZINC000072430178 191162721 /nfs/dbraw/zinc/16/27/21/191162721.db2.gz BGSXEPYXWLHMJS-AWEZNQCLSA-N 0 3 322.880 3.742 50 0 DHAAHN O[C@H](Cc1ccccc1)C1CCN(Cc2cccs2)CC1 ZINC000072473741 191176931 /nfs/dbraw/zinc/17/69/31/191176931.db2.gz ZMRBHALPTIWGCJ-GOSISDBHSA-N 0 3 301.455 3.564 50 0 DHAAHN CN(Cc1cc(F)cc2cccnc21)[C@H](CCO)c1ccccc1 ZINC000072773178 191226860 /nfs/dbraw/zinc/22/68/60/191226860.db2.gz GUVJOHOAEPVRAY-LJQANCHMSA-N 0 3 324.399 3.929 50 0 DHAAHN COc1ccc(CNCc2ccc3c(c2)OCO3)c2ccccc12 ZINC000004110883 181074649 /nfs/dbraw/zinc/07/46/49/181074649.db2.gz DJIBOLGMPBZIIP-UHFFFAOYSA-N 0 3 321.376 3.867 50 0 DHAAHN C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)NCc1cccnc1 ZINC000005249605 181221739 /nfs/dbraw/zinc/22/17/39/181221739.db2.gz YOGMQUBAEAYSMA-IIDMSEBBSA-N 0 3 300.446 3.757 50 0 DHAAHN CCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000005459599 181246394 /nfs/dbraw/zinc/24/63/94/181246394.db2.gz HYRJUEHHYMTYKK-UHFFFAOYSA-N 0 3 309.431 3.932 50 0 DHAAHN COc1ccc2c(CN3CCCCCCC3)cc(=O)oc2c1 ZINC000006628050 181362841 /nfs/dbraw/zinc/36/28/41/181362841.db2.gz FAYZPXRTLQYWBU-UHFFFAOYSA-N 0 3 301.386 3.568 50 0 DHAAHN Cc1cccc(C)c1NC(=O)CN[C@@H](C)CCc1ccccc1 ZINC000006653265 181366068 /nfs/dbraw/zinc/36/60/68/181366068.db2.gz LOZNUBMYQGYUNT-KRWDZBQOSA-N 0 3 310.441 3.853 50 0 DHAAHN O[C@]12CCCC[C@H]1[C@H](c1cccc(Cl)c1Cl)NCC2 ZINC000006658427 181366772 /nfs/dbraw/zinc/36/67/72/181366772.db2.gz VIWGFBVZEDAVEE-CQDKDKBSSA-N 0 3 300.229 3.949 50 0 DHAAHN CCOC(=O)[C@H]1CCCN(CCCCSc2ccccc2)C1 ZINC000006703326 181374202 /nfs/dbraw/zinc/37/42/02/181374202.db2.gz WMEAWZWECXJKSA-INIZCTEOSA-N 0 3 321.486 3.834 50 0 DHAAHN COc1ccccc1/C=C/CN1CCN(C)CC12CCCCC2 ZINC000093872023 193321075 /nfs/dbraw/zinc/32/10/75/193321075.db2.gz QEOPDIFLYQYRTQ-CSKARUKUSA-N 0 3 314.473 3.659 50 0 DHAAHN COc1ccc([C@@H](C)N[C@H](C)c2cnn(C)c2)c2ccccc12 ZINC000095968454 193465192 /nfs/dbraw/zinc/46/51/92/193465192.db2.gz RXBGKKFICYEPCW-ZIAGYGMSSA-N 0 3 309.413 3.994 50 0 DHAAHN Cc1c(C)n(Cc2cccnc2)c2nc3c(c(N)c12)CCCC3 ZINC000012324869 181750838 /nfs/dbraw/zinc/75/08/38/181750838.db2.gz XTIJEZZYEDNESD-UHFFFAOYSA-N 0 3 306.413 3.557 50 0 DHAAHN CC(C)[C@@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000015549901 182006270 /nfs/dbraw/zinc/00/62/70/182006270.db2.gz IPIKXRHLVLBQJO-GOSISDBHSA-N 0 3 318.367 3.890 50 0 DHAAHN Cc1ccc(CNCc2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000015580804 182007791 /nfs/dbraw/zinc/00/77/91/182007791.db2.gz OHMBPLGFHXKJJC-UHFFFAOYSA-N 0 3 308.425 3.720 50 0 DHAAHN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)NCC2 ZINC000019907238 182163052 /nfs/dbraw/zinc/16/30/52/182163052.db2.gz ADFOYEWFVUCSHF-KRWDZBQOSA-N 0 3 303.789 3.592 50 0 DHAAHN CCN1CCN(CCCCOc2ccc(C(C)C)c(C)c2)CC1 ZINC000020390289 182213462 /nfs/dbraw/zinc/21/34/62/182213462.db2.gz MFGUWRHEOCCGTH-UHFFFAOYSA-N 0 3 318.505 3.915 50 0 DHAAHN O=C(C[C@@H]1NCCc2ccccc21)Nc1ccccc1Cl ZINC000020404870 182215280 /nfs/dbraw/zinc/21/52/80/182215280.db2.gz ABJDZBPTRZYDHL-INIZCTEOSA-N 0 3 300.789 3.556 50 0 DHAAHN CCOc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)NCC2 ZINC000020507129 182225883 /nfs/dbraw/zinc/22/58/83/182225883.db2.gz OIHYWHDYXMCANR-GOSISDBHSA-N 0 3 317.816 3.982 50 0 DHAAHN CCc1[nH]nc2c1CN([C@@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000023505039 182362276 /nfs/dbraw/zinc/36/22/76/182362276.db2.gz USNPGUCTGJHFOX-AWEZNQCLSA-N 0 3 322.456 3.833 50 0 DHAAHN CCc1n[nH]c2c1CN([C@@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000023505039 182362277 /nfs/dbraw/zinc/36/22/77/182362277.db2.gz USNPGUCTGJHFOX-AWEZNQCLSA-N 0 3 322.456 3.833 50 0 DHAAHN C[C@H](c1ccc2ccccc2c1)N1CCC(NC(=O)C2CC2)CC1 ZINC000056284317 184009353 /nfs/dbraw/zinc/00/93/53/184009353.db2.gz CFIMKXITHSCNPU-OAHLLOKOSA-N 0 3 322.452 3.891 50 0 DHAAHN Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1c(C)ccc2C ZINC000056379944 184011998 /nfs/dbraw/zinc/01/19/98/184011998.db2.gz ZJVIHFLLRGRRMR-UHFFFAOYSA-N 0 3 314.429 3.524 50 0 DHAAHN FC(F)(F)c1cccc(CNC[C@@H]2COc3ccccc3O2)c1 ZINC000058169325 184083727 /nfs/dbraw/zinc/08/37/27/184083727.db2.gz WYIYCPCRHZEXCD-CQSZACIVSA-N 0 3 323.314 3.635 50 0 DHAAHN CC(C)(C)N1CCCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000058167399 184083896 /nfs/dbraw/zinc/08/38/96/184083896.db2.gz CJJQEKIFFHMXOY-UHFFFAOYSA-N 0 3 309.841 3.678 50 0 DHAAHN C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000058160750 184082282 /nfs/dbraw/zinc/08/22/82/184082282.db2.gz GWKFRPFDMSUKOX-DNVCBOLYSA-N 0 3 320.436 3.631 50 0 DHAAHN CCN1CCC(N(C(=O)c2cccc3ccccc32)C2CC2)CC1 ZINC000058403803 184113176 /nfs/dbraw/zinc/11/31/76/184113176.db2.gz OZAPHIOUWOYNHJ-UHFFFAOYSA-N 0 3 322.452 3.929 50 0 DHAAHN CCC(CC)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000058407173 184114442 /nfs/dbraw/zinc/11/44/42/184114442.db2.gz RUAMOLDZCOBHEG-CQSZACIVSA-N 0 3 308.491 3.513 50 0 DHAAHN CCc1ccsc1C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000059983826 184143325 /nfs/dbraw/zinc/14/33/25/184143325.db2.gz WHGLHZKRUATWFI-ZDUSSCGKSA-N 0 3 308.491 3.551 50 0 DHAAHN Cc1cc(C(=O)N2CCCN(C(C)(C)C)CC2)c(C)n1C(C)C ZINC000063726873 184287016 /nfs/dbraw/zinc/28/70/16/184287016.db2.gz WXRIUMFHMBJOTO-UHFFFAOYSA-N 0 3 319.493 3.632 50 0 DHAAHN Cc1ccccc1NC(=O)CCN[C@H](c1ncccc1C)C1CC1 ZINC000065408568 184339618 /nfs/dbraw/zinc/33/96/18/184339618.db2.gz IATXKKVCPOKIDY-FQEVSTJZSA-N 0 3 323.440 3.768 50 0 DHAAHN Cc1ccc2c(c1)c(CN[C@H](C)CCc1ccc(O)cc1)nn2C ZINC000065395071 184335454 /nfs/dbraw/zinc/33/54/54/184335454.db2.gz OVKXWWYBVVDEQR-OAHLLOKOSA-N 0 3 323.440 3.698 50 0 DHAAHN CC(C)c1nccn1[C@H](C)c1nnc(CCc2ccccc2)[nH]1 ZINC000065534804 184362197 /nfs/dbraw/zinc/36/21/97/184362197.db2.gz REDQUUFXUCPYAL-CQSZACIVSA-N 0 3 309.417 3.519 50 0 DHAAHN COCc1cc(CN[C@@H](C)c2ccc3c(c2)OCO3)ccc1F ZINC000095422713 257211363 /nfs/dbraw/zinc/21/13/63/257211363.db2.gz JVEIYRQRVXBXRH-LBPRGKRZSA-N 0 3 317.360 3.552 50 0 DHAAHN c1cnc2c(c1)cccc2CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000342194495 257237157 /nfs/dbraw/zinc/23/71/57/257237157.db2.gz PCDCWRLTKYHOEZ-UHFFFAOYSA-N 0 3 318.376 3.742 50 0 DHAAHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccccc1Br ZINC000240551410 257259521 /nfs/dbraw/zinc/25/95/21/257259521.db2.gz GTMIWUDLXGRLPE-ZFWWWQNUSA-N 0 3 323.278 3.508 50 0 DHAAHN COCc1cc(CN[C@@H](C)c2ccc(OC)c(F)c2)ccc1F ZINC000095422705 262500782 /nfs/dbraw/zinc/50/07/82/262500782.db2.gz AHKPRDRNVIIADE-LBPRGKRZSA-N 0 3 321.367 3.971 50 0 DHAAHN Cc1nccn1CC[C@@H](C)NC1(c2ccccc2Cl)CC1 ZINC000534584140 334288354 /nfs/dbraw/zinc/28/83/54/334288354.db2.gz IUAVJPCGBBVLTK-CYBMUJFWSA-N 0 3 303.837 3.902 50 0 DHAAHN Cc1nccn1CC[C@H](C)NC1(c2ccccc2Cl)CC1 ZINC000534584141 334288401 /nfs/dbraw/zinc/28/84/01/334288401.db2.gz IUAVJPCGBBVLTK-ZDUSSCGKSA-N 0 3 303.837 3.902 50 0 DHAAHN Cn1c(CN[C@H]2CCC[C@H]2c2ccccc2)nnc1C1CCC1 ZINC000133668732 337383246 /nfs/dbraw/zinc/38/32/46/337383246.db2.gz WRYWXIHDQRCXCU-IRXDYDNUSA-N 0 3 310.445 3.509 50 0 DHAAHN CCC(C)(C)NCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000014014426 563556184 /nfs/dbraw/zinc/55/61/84/563556184.db2.gz XWZDRDLFRRSJMA-UHFFFAOYSA-N 0 3 317.458 3.835 50 0 DHAAHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN(C)[C@H](C)C1CC1 ZINC000225354505 563870130 /nfs/dbraw/zinc/87/01/30/563870130.db2.gz AMRCHEXOZFYEQS-CHWSQXEVSA-N 0 3 308.853 3.590 50 0 DHAAHN COCCN(Cc1cn(C)nc1-c1cccc(Cl)c1)C(C)C ZINC000012586950 563371758 /nfs/dbraw/zinc/37/17/58/563371758.db2.gz GROZYMPXCFZXAX-UHFFFAOYSA-N 0 3 321.852 3.597 50 0 DHAAHN CCSCCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000072304850 563443910 /nfs/dbraw/zinc/44/39/10/563443910.db2.gz GJHWIMNYVZVZAT-OAHLLOKOSA-N 0 3 307.459 3.738 50 0 DHAAHN O=C(CCN1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000000452975 563256596 /nfs/dbraw/zinc/25/65/96/563256596.db2.gz JLNSLLGNIUAVRJ-UHFFFAOYSA-N 0 3 314.816 3.727 50 0 DHAAHN COc1cc(C)c(CN2CCN(c3ccccc3)CC2)cc1C ZINC000001227423 563280233 /nfs/dbraw/zinc/28/02/33/563280233.db2.gz NFGJGJHFBGZVMK-UHFFFAOYSA-N 0 3 310.441 3.634 50 0 DHAAHN CSCC[C@H](N)c1nc2ccccc2n1Cc1ccccc1 ZINC000003267779 563323835 /nfs/dbraw/zinc/32/38/35/563323835.db2.gz JOVPURHSOZNSAD-HNNXBMFYSA-N 0 3 311.454 3.838 50 0 DHAAHN CCC(CC)NCc1cc(OC)c(OC)cc1Br ZINC000004685490 563327651 /nfs/dbraw/zinc/32/76/51/563327651.db2.gz OFSUTTFNIYBYPB-UHFFFAOYSA-N 0 3 316.239 3.745 50 0 DHAAHN O[C@H](c1ccc(Cl)cc1)C1CCN(Cc2ccncc2)CC1 ZINC000097600569 563353045 /nfs/dbraw/zinc/35/30/45/563353045.db2.gz QVUXEUDCZAGHJD-GOSISDBHSA-N 0 3 316.832 3.681 50 0 DHAAHN CC[C@H](CO)NCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474353 563357429 /nfs/dbraw/zinc/35/74/29/563357429.db2.gz KSZZCOCKBIZBTQ-MRXNPFEDSA-N 0 3 319.832 3.780 50 0 DHAAHN FC(F)(F)CCCN1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000011819262 563359999 /nfs/dbraw/zinc/35/99/99/563359999.db2.gz DONZYBYAQZUGGE-UHFFFAOYSA-N 0 3 309.335 3.777 50 0 DHAAHN COc1cccc(CC[C@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000011937855 563360870 /nfs/dbraw/zinc/36/08/70/563360870.db2.gz KFTZFVZLAZFVNP-GOSISDBHSA-N 0 3 310.441 3.935 50 0 DHAAHN CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2 ZINC000011933285 563360892 /nfs/dbraw/zinc/36/08/92/563360892.db2.gz PRBBYPVSECLNTI-HXUWFJFHSA-N 0 3 314.473 3.610 50 0 DHAAHN COc1ccc(CC[C@H]2CCCN(Cc3[nH]cnc3C)C2)cc1 ZINC000012198014 563363788 /nfs/dbraw/zinc/36/37/88/563363788.db2.gz KOHAIZVKOFCOSE-QGZVFWFLSA-N 0 3 313.445 3.572 50 0 DHAAHN COC(=O)c1ccc(CN(C)[C@H]2CCCc3ccccc32)cc1 ZINC000015261613 563408538 /nfs/dbraw/zinc/40/85/38/563408538.db2.gz FBZFVQZLSYXZMR-IBGZPJMESA-N 0 3 309.409 3.983 50 0 DHAAHN Cc1cccc(CN2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000016396262 563412216 /nfs/dbraw/zinc/41/22/16/563412216.db2.gz KEFYOASRGPLSRT-UHFFFAOYSA-N 0 3 322.452 3.523 50 0 DHAAHN CN1CCC(OC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000033005411 563461214 /nfs/dbraw/zinc/46/12/14/563461214.db2.gz CLJRHOCAJDAAAD-UHFFFAOYSA-N 0 3 309.818 3.806 50 0 DHAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2ccc(C(F)(F)F)nc2)c1 ZINC000055100331 563471223 /nfs/dbraw/zinc/47/12/23/563471223.db2.gz FWYNTLHCDOAHPV-CYBMUJFWSA-N 0 3 323.362 3.867 50 0 DHAAHN COc1ccc(-c2nc3ccccc3[nH]2)cc1CN1CCCC1 ZINC000055368900 563474435 /nfs/dbraw/zinc/47/44/35/563474435.db2.gz DDSJDSLRDUGRSO-UHFFFAOYSA-N 0 3 307.397 3.834 50 0 DHAAHN Cc1nc(C)c(CN[C@H](C)C[C@H](O)c2ccc(F)cc2)s1 ZINC000096486374 563485453 /nfs/dbraw/zinc/48/54/53/563485453.db2.gz ZATPWJOVCLIQBD-BMIGLBTASA-N 0 3 308.422 3.501 50 0 DHAAHN CCCc1ccc(C(=O)N(CC2=CCCN(C)C2)C2CC2)cc1 ZINC000067562218 563487563 /nfs/dbraw/zinc/48/75/63/563487563.db2.gz HVUBIGPIKKAGDB-UHFFFAOYSA-N 0 3 312.457 3.506 50 0 DHAAHN COCCC[C@H]1CCCN(Cc2cc3cc(F)ccc3n2C)C1 ZINC000077460013 563511119 /nfs/dbraw/zinc/51/11/19/563511119.db2.gz DBIYYNAMCIPKTQ-OAHLLOKOSA-N 0 3 318.436 3.956 50 0 DHAAHN CCN1CCCC[C@@H]1C(=O)NCc1cccc(-c2ccccc2)c1 ZINC000097660346 563541021 /nfs/dbraw/zinc/54/10/21/563541021.db2.gz XFUGBCSXSXBGSI-HXUWFJFHSA-N 0 3 322.452 3.844 50 0 DHAAHN CCOc1cc([C@@H]2NCCc3c4ccccc4[nH]c32)ccc1O ZINC000000211975 563578622 /nfs/dbraw/zinc/57/86/22/563578622.db2.gz LJSUVYWGJOWVJF-SFHVURJKSA-N 0 3 308.381 3.507 50 0 biogenic DHAAHN CCCOc1ccc(CNCCOc2ccccn2)cc1Cl ZINC000113395726 563581156 /nfs/dbraw/zinc/58/11/56/563581156.db2.gz KYKCSHOWLNSOEB-UHFFFAOYSA-N 0 3 320.820 3.692 50 0 DHAAHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000253432970 563613850 /nfs/dbraw/zinc/61/38/50/563613850.db2.gz QHWHYJMHKIVDSL-SJLPKXTDSA-N 0 3 313.445 3.512 50 0 DHAAHN C[C@@H](CN1CCCCC1)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000151859858 563623063 /nfs/dbraw/zinc/62/30/63/563623063.db2.gz YDAQVJHSSZTEDU-RYUDHWBXSA-N 0 3 300.368 3.629 50 0 DHAAHN CCC(=O)N[C@H]1CCCN([C@H](C)CCSc2ccccc2)C1 ZINC000107363549 563673288 /nfs/dbraw/zinc/67/32/88/563673288.db2.gz DLGNDWTWKHHPGJ-CVEARBPZSA-N 0 3 320.502 3.548 50 0 DHAAHN c1cc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000215193136 563704421 /nfs/dbraw/zinc/70/44/21/563704421.db2.gz KCABXSLLNMJOLW-CQSZACIVSA-N 0 3 316.474 3.903 50 0 DHAAHN c1cc(C2CCCC2)sc1C[N@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000215193136 563704426 /nfs/dbraw/zinc/70/44/26/563704426.db2.gz KCABXSLLNMJOLW-CQSZACIVSA-N 0 3 316.474 3.903 50 0 DHAAHN Cc1cc(CN2CCC(c3nc4c(cccc4C)[nH]3)CC2)on1 ZINC000215433464 563705377 /nfs/dbraw/zinc/70/53/77/563705377.db2.gz FNJHBBFEWZLZLU-UHFFFAOYSA-N 0 3 310.401 3.547 50 0 DHAAHN Cc1cc(CN2CCC(c3nc4cccc(C)c4[nH]3)CC2)on1 ZINC000215433464 563705379 /nfs/dbraw/zinc/70/53/79/563705379.db2.gz FNJHBBFEWZLZLU-UHFFFAOYSA-N 0 3 310.401 3.547 50 0 DHAAHN Cc1c2ccccc2oc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000032781259 563723415 /nfs/dbraw/zinc/72/34/15/563723415.db2.gz VFLNEUICCIOSCQ-KRWDZBQOSA-N 0 3 322.408 3.774 50 0 DHAAHN CSc1cccc(CN2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC000225324122 563752125 /nfs/dbraw/zinc/75/21/25/563752125.db2.gz GKUWGBVGRVGMMB-IBGZPJMESA-N 0 3 312.482 3.897 50 0 DHAAHN CC(C)C[C@@H]1CCCCCN1Cc1nnc2n1CCCCC2 ZINC000225409852 563754139 /nfs/dbraw/zinc/75/41/39/563754139.db2.gz MFLLXXFLSLZGLP-INIZCTEOSA-N 0 3 304.482 3.795 50 0 DHAAHN FCCn1ncnc1CN1CCCCC[C@H]1C1CCCCC1 ZINC000241446967 563777284 /nfs/dbraw/zinc/77/72/84/563777284.db2.gz NQARMOUXXHETAR-INIZCTEOSA-N 0 3 308.445 3.573 50 0 DHAAHN Cn1nc(CNC23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1 ZINC000248018131 563782843 /nfs/dbraw/zinc/78/28/43/563782843.db2.gz DQXJEGJBTVXHGJ-UHFFFAOYSA-N 0 3 322.456 3.541 50 0 DHAAHN c1csc(CCNCc2csc(-c3ccccn3)n2)c1 ZINC000035054537 563808287 /nfs/dbraw/zinc/80/82/87/563808287.db2.gz ASQMCUJNSQVWNH-UHFFFAOYSA-N 0 3 301.440 3.599 50 0 DHAAHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000012674121 563809246 /nfs/dbraw/zinc/80/92/46/563809246.db2.gz SUJAQCINCVJIIU-UGSOOPFHSA-N 0 3 312.388 3.894 50 0 DHAAHN Cc1ccccc1[C@](O)(Cc1ccccc1)[C@H]1CN2CCC1CC2 ZINC000001259763 563809819 /nfs/dbraw/zinc/80/98/19/563809819.db2.gz FPDWKSDUHWWBCL-FCHUYYIVSA-N 0 3 321.464 3.767 50 0 DHAAHN CN(CC(=O)Nc1ccc(Cl)cn1)C1CCCCCCC1 ZINC000083857656 563813745 /nfs/dbraw/zinc/81/37/45/563813745.db2.gz BXQXARXSGZSROS-UHFFFAOYSA-N 0 3 309.841 3.718 50 0 DHAAHN Cc1cc(OC[C@@H](O)CN[C@H](C)c2ccccc2)ccc1Cl ZINC000001469932 563838256 /nfs/dbraw/zinc/83/82/56/563838256.db2.gz COZCCBGXWRWDCY-ZBFHGGJFSA-N 0 3 319.832 3.739 50 0 DHAAHN Cc1ccc2[nH]c([C@@H]3CCCN([C@H](C)c4cnccn4)C3)nc2c1 ZINC000248615436 563844865 /nfs/dbraw/zinc/84/48/65/563844865.db2.gz KBESNSDOKGJHPN-HUUCEWRRSA-N 0 3 321.428 3.602 50 0 DHAAHN Cc1ccc2nc([C@@H]3CCCN([C@H](C)c4cnccn4)C3)[nH]c2c1 ZINC000248615436 563844867 /nfs/dbraw/zinc/84/48/67/563844867.db2.gz KBESNSDOKGJHPN-HUUCEWRRSA-N 0 3 321.428 3.602 50 0 DHAAHN C[C@@H](NC1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000121355764 563856035 /nfs/dbraw/zinc/85/60/35/563856035.db2.gz LTEQVLZRLQSGED-CYBMUJFWSA-N 0 3 317.383 3.679 50 0 DHAAHN C[C@H](NC1CCN(c2ccccn2)CC1)c1ccc(F)cc1F ZINC000121355614 563856045 /nfs/dbraw/zinc/85/60/45/563856045.db2.gz LTEQVLZRLQSGED-ZDUSSCGKSA-N 0 3 317.383 3.679 50 0 DHAAHN C[C@H](N[C@@H]1CCCC[C@@H]1OCc1ccccc1)c1cnccn1 ZINC000090602917 563871626 /nfs/dbraw/zinc/87/16/26/563871626.db2.gz HPDNWOPSOCAKNI-WDYCEAGBSA-N 0 3 311.429 3.655 50 0 DHAAHN FC(F)(F)Cn1ccnc1CNC12CC3CC(CC(C3)C1)C2 ZINC000191444891 563874028 /nfs/dbraw/zinc/87/40/28/563874028.db2.gz RSZZTVNKYUREFY-UHFFFAOYSA-N 0 3 313.367 3.504 50 0 DHAAHN Cc1ccc(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1C ZINC000241126054 563880427 /nfs/dbraw/zinc/88/04/27/563880427.db2.gz JJDTVWSSVQVCEN-CVEARBPZSA-N 0 3 303.450 3.688 50 0 DHAAHN CCC[C@@H](O)CN(Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036098271 563892939 /nfs/dbraw/zinc/89/29/39/563892939.db2.gz PLTVHDZGHPNAED-LJQANCHMSA-N 0 3 313.441 3.858 50 0 DHAAHN C[C@@H](NC(=O)CN1CCCCCC1)c1ccc2c(c1)CCCC2 ZINC000007339559 563905350 /nfs/dbraw/zinc/90/53/50/563905350.db2.gz JZUWDUVBWPEOBN-MRXNPFEDSA-N 0 3 314.473 3.619 50 0 DHAAHN CCc1oc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1C ZINC000170597964 563907078 /nfs/dbraw/zinc/90/70/78/563907078.db2.gz YCFNTHBOPWBBCS-KBXCAEBGSA-N 0 3 314.429 3.572 50 0 DHAAHN Cc1cnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 ZINC000010029994 563909223 /nfs/dbraw/zinc/90/92/23/563909223.db2.gz VLOLVHFYQJCBLC-UHFFFAOYSA-N 0 3 315.442 3.690 50 0 DHAAHN CC(C)Oc1ccc([C@@H](O)CNCc2ccc(F)c(F)c2)cc1 ZINC000076016703 563911692 /nfs/dbraw/zinc/91/16/92/563911692.db2.gz JDXJURDSNSODOB-SFHVURJKSA-N 0 3 321.367 3.575 50 0 DHAAHN CC(=O)Nc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000252537069 563917007 /nfs/dbraw/zinc/91/70/07/563917007.db2.gz KFJGJXHOJQENIV-ZDUSSCGKSA-N 0 3 314.433 3.582 50 0 DHAAHN CCN(CC)Cc1cncc(-c2ccc(OC)c(OC)c2)c1 ZINC000037553873 563918686 /nfs/dbraw/zinc/91/86/86/563918686.db2.gz KJXKOFWTEIYQSK-UHFFFAOYSA-N 0 3 300.402 3.608 50 0 DHAAHN Oc1cccc(NC2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000195576030 563919751 /nfs/dbraw/zinc/91/97/51/563919751.db2.gz JUOQTEFLAGHTAG-UHFFFAOYSA-N 0 3 300.377 3.608 50 0 DHAAHN COCCCCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000253430634 563925352 /nfs/dbraw/zinc/92/53/52/563925352.db2.gz ROSVMFRKEXQQJA-OAHLLOKOSA-N 0 3 307.825 3.780 50 0 DHAAHN C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000225443926 563928113 /nfs/dbraw/zinc/92/81/13/563928113.db2.gz SDJLWMHAPFDCMV-PXAZEXFGSA-N 0 3 318.367 3.574 50 0 DHAAHN Cc1nc(CCN[C@H](C)c2ccc3c(c2)OCCCO3)cs1 ZINC000095419980 563931446 /nfs/dbraw/zinc/93/14/46/563931446.db2.gz BTFPQLMATXKJPK-GFCCVEGCSA-N 0 3 318.442 3.506 50 0 DHAAHN COc1ccc([C@H](OC)[C@H](C)NCc2ccccc2OC)cc1 ZINC000095459060 563931502 /nfs/dbraw/zinc/93/15/02/563931502.db2.gz ULAXSTQSVWGPCE-IFXJQAMLSA-N 0 3 315.413 3.570 50 0 DHAAHN COc1ccc(C(=O)C(C)(C)N[C@@H](C)Cc2ccccc2)cc1 ZINC000096027149 563935081 /nfs/dbraw/zinc/93/50/81/563935081.db2.gz MSBQBSYIMYLSRS-HNNXBMFYSA-N 0 3 311.425 3.877 50 0 DHAAHN COC(=O)c1cccc(CCN(C)Cc2ccc(Cl)cc2)c1 ZINC000096027695 563935152 /nfs/dbraw/zinc/93/51/52/563935152.db2.gz KRWAOXUOXCDBLN-UHFFFAOYSA-N 0 3 317.816 3.801 50 0 DHAAHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000008307325 563947666 /nfs/dbraw/zinc/94/76/66/563947666.db2.gz CQUXPSSVNJRRNB-OBJOEFQTSA-N 0 3 308.853 3.953 50 0 DHAAHN CCOc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1 ZINC000008578795 563949282 /nfs/dbraw/zinc/94/92/82/563949282.db2.gz TXKQEAIRLLOGIP-UHFFFAOYSA-N 0 3 300.402 3.633 50 0 DHAAHN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCCC[C@H]1C ZINC000008717519 563950116 /nfs/dbraw/zinc/95/01/16/563950116.db2.gz VDIXKLWYADCFJZ-CYBMUJFWSA-N 0 3 313.445 3.689 50 0 DHAAHN CCCCN(CC)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717513 563950270 /nfs/dbraw/zinc/95/02/70/563950270.db2.gz ZRRXMZBIGLNSGR-UHFFFAOYSA-N 0 3 315.461 3.937 50 0 DHAAHN Cc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](N1CCCCC1)C(=O)N2 ZINC000009186564 563953938 /nfs/dbraw/zinc/95/39/38/563953938.db2.gz QEGHIXFHUNLHMD-UXHICEINSA-N 0 3 320.436 3.934 50 0 DHAAHN CCC[C@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000069703818 563954355 /nfs/dbraw/zinc/95/43/55/563954355.db2.gz IUXLYECLRJBZAW-LSDHHAIUSA-N 0 3 308.491 3.513 50 0 DHAAHN CN(C)[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000009503629 563956459 /nfs/dbraw/zinc/95/64/59/563956459.db2.gz ZQDXQMUNGFCTPD-INIZCTEOSA-N 0 3 320.795 3.512 50 0 DHAAHN c1ccc2oc(C3CCN(CCc4ccncc4)CC3)nc2c1 ZINC000009515024 563956475 /nfs/dbraw/zinc/95/64/75/563956475.db2.gz MCTUKZZCCYNNOV-UHFFFAOYSA-N 0 3 307.397 3.645 50 0 DHAAHN CCN1CCC[C@@H]1CNC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000071796256 563958491 /nfs/dbraw/zinc/95/84/91/563958491.db2.gz MTAHNHWUQCRPBV-OAHLLOKOSA-N 0 3 321.424 3.535 50 0 DHAAHN CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000010328206 563958515 /nfs/dbraw/zinc/95/85/15/563958515.db2.gz VBJZIFQVVPNNAX-FQEVSTJZSA-N 0 3 318.420 3.873 50 0 DHAAHN c1[nH]nc(-c2cccnc2)c1CN[C@@H]1CCCc2ccccc21 ZINC000042907891 563958971 /nfs/dbraw/zinc/95/89/71/563958971.db2.gz HUPNTWQXKNMIBS-GOSISDBHSA-N 0 3 304.397 3.639 50 0 DHAAHN CC[C@H](NC1CCN(c2ccccc2F)CC1)c1ccccn1 ZINC000067447005 568413457 /nfs/dbraw/zinc/41/34/57/568413457.db2.gz BCAIAWPBBIXWRN-KRWDZBQOSA-N 0 3 313.420 3.930 50 0 DHAAHN Cc1noc(C)c1CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000107589788 568415360 /nfs/dbraw/zinc/41/53/60/568415360.db2.gz UKFCSWBTBKAHNL-NVXWUHKLSA-N 0 3 318.417 3.753 50 0 DHAAHN Cc1noc(C)c1CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837714 1018285442 /nfs/dbraw/zinc/28/54/42/1018285442.db2.gz QUXOBKDBPJIGPS-UHFFFAOYSA-N 0 3 310.401 3.547 50 0 DHAAHN COc1ccccc1N1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000012383497 1020395970 /nfs/dbraw/zinc/39/59/70/1020395970.db2.gz GWYZUWALQDLSLF-QGZVFWFLSA-N 0 3 310.441 3.621 50 0 DHAAHN Cc1cnc(C2CC2)n1[C@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000575545582 1020973584 /nfs/dbraw/zinc/97/35/84/1020973584.db2.gz IGLHJTUPSOIQMC-SFHVURJKSA-N 0 3 310.445 3.609 50 0 DHAAHN Cc1cc(CN(C)Cc2cc(CN3CCCCC3)cs2)on1 ZINC000215961166 1024527636 /nfs/dbraw/zinc/52/76/36/1024527636.db2.gz FGUXCZJJIIMMJR-UHFFFAOYSA-N 0 3 319.474 3.662 50 0 DHAAHN CC(C)c1noc(CCN[C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000089577986 1037159390 /nfs/dbraw/zinc/15/93/90/1037159390.db2.gz YZYRNKDUFYNZQX-JTQLQIEISA-N 0 3 311.788 3.879 50 0 DHAAHN COc1ccc([C@@H]2CCN(Cc3ccccc3NC(C)=O)C2)cc1 ZINC000092783592 185340834 /nfs/dbraw/zinc/34/08/34/185340834.db2.gz YXKUKKPJNCUFOV-QGZVFWFLSA-N 0 3 324.424 3.643 50 0 DHAAHN COc1cccc(C2(NCc3cccc(-n4cccn4)c3)CC2)c1 ZINC000095415563 185358770 /nfs/dbraw/zinc/35/87/70/185358770.db2.gz NDBBANLRGWXNLH-UHFFFAOYSA-N 0 3 319.408 3.660 50 0 DHAAHN Cc1c([C@H](C)NCCc2ccccn2)cnn1-c1ccc(F)cc1 ZINC000095419170 185359834 /nfs/dbraw/zinc/35/98/34/185359834.db2.gz YDQHERKJRIYOAH-AWEZNQCLSA-N 0 3 324.403 3.608 50 0 DHAAHN O=C(C1CCCC1)N1CC[C@@H](N[C@H]2CCCc3sccc32)C1 ZINC000095423913 185361277 /nfs/dbraw/zinc/36/12/77/185361277.db2.gz KPNPBGLPBDAABH-ZBFHGGJFSA-N 0 3 318.486 3.506 50 0 DHAAHN COc1ccc([C@H](C)N[C@H](C)c2cccc(-n3cncn3)c2)cc1 ZINC000095423554 185361327 /nfs/dbraw/zinc/36/13/27/185361327.db2.gz SVUWTKHIJQWCLK-LSDHHAIUSA-N 0 3 322.412 3.688 50 0 DHAAHN CC(C)c1nc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cs1 ZINC000095437457 185365515 /nfs/dbraw/zinc/36/55/15/185365515.db2.gz IPPWJIGSPWLOAK-KFWWJZLASA-N 0 3 306.475 3.704 50 0 DHAAHN C[C@H](NCC1(O)CCSCC1)c1ccc(-c2ccccc2)o1 ZINC000097017000 185397563 /nfs/dbraw/zinc/39/75/63/185397563.db2.gz HTWPGQWWNUWNOE-AWEZNQCLSA-N 0 3 317.454 3.855 50 0 DHAAHN CN(Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCOC(C)(C)C1 ZINC000072133129 191045399 /nfs/dbraw/zinc/04/53/99/191045399.db2.gz LYLREBBJNLDOTL-MRXNPFEDSA-N 0 3 313.445 3.509 50 0 DHAAHN CC(C)=CCC[C@@H](C)CN1CCN(Cc2ncccc2C)CC1 ZINC000072158805 191060353 /nfs/dbraw/zinc/06/03/53/191060353.db2.gz CZQXSKMWNRXKJC-GOSISDBHSA-N 0 3 315.505 3.890 50 0 DHAAHN Cc1cccc2[nH]c(C3CCN(Cc4cccnc4)CC3)nc21 ZINC000072165955 191065177 /nfs/dbraw/zinc/06/51/77/191065177.db2.gz VOXFMQLHDYEELK-UHFFFAOYSA-N 0 3 306.413 3.646 50 0 DHAAHN Cc1cccc2nc(C3CCN(Cc4cccnc4)CC3)[nH]c21 ZINC000072165955 191065179 /nfs/dbraw/zinc/06/51/79/191065179.db2.gz VOXFMQLHDYEELK-UHFFFAOYSA-N 0 3 306.413 3.646 50 0 DHAAHN Cc1ncsc1CCN(C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000072412456 191156160 /nfs/dbraw/zinc/15/61/60/191156160.db2.gz YFHMBOIGOQTBEA-HNNXBMFYSA-N 0 3 320.458 3.961 50 0 DHAAHN COc1cc2c(cc1CN1CCC(c3ccncc3)CC1)CCC2 ZINC000072463329 191173687 /nfs/dbraw/zinc/17/36/87/191173687.db2.gz YSMXWKBOIXDTTG-UHFFFAOYSA-N 0 3 322.452 3.959 50 0 DHAAHN CC(C)[C@]12CC[C@](C)(O1)[C@H](Oc1cccc(Cl)c1CN)C2 ZINC000004110222 181074658 /nfs/dbraw/zinc/07/46/58/181074658.db2.gz XDWGFIVVEJQCFN-IXDOHACOSA-N 0 3 309.837 3.914 50 0 DHAAHN CC(C)(CO)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000004841509 181161228 /nfs/dbraw/zinc/16/12/28/181161228.db2.gz CIANFDUAXIGRKS-UHFFFAOYSA-N 0 3 324.218 3.570 50 0 DHAAHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000073652496 191336841 /nfs/dbraw/zinc/33/68/41/191336841.db2.gz UDCUFWXNFAVXPZ-MRXNPFEDSA-N 0 3 304.434 3.518 50 0 DHAAHN COc1cc2c(cc1OC)CN(C[C@@H](C)c1ccccc1)CC2 ZINC000004988034 181184847 /nfs/dbraw/zinc/18/48/47/181184847.db2.gz KJZLJRUWEDNIIV-OAHLLOKOSA-N 0 3 311.425 3.866 50 0 DHAAHN CC(C)(C)c1cc(CN2CCC[C@H](O)C2)cc(C(C)(C)C)c1O ZINC000004990173 181185781 /nfs/dbraw/zinc/18/57/81/181185781.db2.gz FUQNVSQQCQUZOK-HNNXBMFYSA-N 0 3 319.489 3.944 50 0 DHAAHN CCOc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCO1 ZINC000005019778 181191617 /nfs/dbraw/zinc/19/16/17/181191617.db2.gz XVGXLEKSUXPQER-LBPRGKRZSA-N 0 3 304.217 3.661 50 0 DHAAHN COc1cc(CN[C@H]2CCCc3ccccc32)cc(OC)c1O ZINC000005061143 181198951 /nfs/dbraw/zinc/19/89/51/181198951.db2.gz ALTQUELLKAAKGO-INIZCTEOSA-N 0 3 313.397 3.577 50 0 DHAAHN O=C(NCCN1CCCCCC1)c1csc2c1CCCCC2 ZINC000005070441 181200633 /nfs/dbraw/zinc/20/06/33/181200633.db2.gz RHZLGOOCFCYTMX-UHFFFAOYSA-N 0 3 320.502 3.623 50 0 DHAAHN CC(C)(CNC(=S)Nc1ccccc1)NCc1ccccc1 ZINC000005187929 181214820 /nfs/dbraw/zinc/21/48/20/181214820.db2.gz OAEWRDIZGLSJAH-UHFFFAOYSA-N 0 3 313.470 3.541 50 0 DHAAHN C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000005559755 181257390 /nfs/dbraw/zinc/25/73/90/181257390.db2.gz OMMABXQBKXLFFT-JXFKEZNVSA-N 0 3 321.420 3.930 50 0 DHAAHN CC[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1 ZINC000236913660 202069068 /nfs/dbraw/zinc/06/90/68/202069068.db2.gz VTCYOYGSVAYASX-DLBZAZTESA-N 0 3 316.832 3.997 50 0 DHAAHN C[C@@H](CN1CCC(N2CCCC2=O)CC1)c1cccc(Cl)c1 ZINC000187179453 200073053 /nfs/dbraw/zinc/07/30/53/200073053.db2.gz ASAVMGWYHDAVAO-AWEZNQCLSA-N 0 3 320.864 3.530 50 0 DHAAHN CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2Cc2ccccc2)C1 ZINC000091361803 193046224 /nfs/dbraw/zinc/04/62/24/193046224.db2.gz LECMSITUHGZUDO-IBGZPJMESA-N 0 3 316.445 3.662 50 0 DHAAHN C[S@@](=O)c1ccc(CN2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000093439552 193253350 /nfs/dbraw/zinc/25/33/50/193253350.db2.gz NFNSDAMWQCWVPB-RXVVDRJESA-N 0 3 303.471 3.746 50 0 DHAAHN C[C@@H]1CC[C@@H](CO)CN1Cc1ccccc1OC1CCCC1 ZINC000093737859 193298379 /nfs/dbraw/zinc/29/83/79/193298379.db2.gz WRQZBIYTGHVIJU-HZPDHXFCSA-N 0 3 303.446 3.601 50 0 DHAAHN CSC[C@@H]1CCCN1Cc1cnc(-c2cccnc2)s1 ZINC000093760841 193301848 /nfs/dbraw/zinc/30/18/48/193301848.db2.gz NDDWGIIPGQRKPS-ZDUSSCGKSA-N 0 3 305.472 3.533 50 0 DHAAHN CSC[C@H]1CCCN1Cc1cnc(-c2cccnc2)s1 ZINC000093760843 193302093 /nfs/dbraw/zinc/30/20/93/193302093.db2.gz NDDWGIIPGQRKPS-CYBMUJFWSA-N 0 3 305.472 3.533 50 0 DHAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1F ZINC000015906135 182023867 /nfs/dbraw/zinc/02/38/67/182023867.db2.gz DRHCPEMGRJKTQJ-QFBILLFUSA-N 0 3 324.399 3.582 50 0 DHAAHN Cc1cc(C(=O)NC2CCN(C)CC2)sc1-c1ccccc1 ZINC000016602584 182051706 /nfs/dbraw/zinc/05/17/06/182051706.db2.gz LGOYMLRIPOSQGD-UHFFFAOYSA-N 0 3 314.454 3.548 50 0 DHAAHN CC(C)(CNC(=O)c1ccc2ccccc2c1)N1CCCCC1 ZINC000016695109 182058173 /nfs/dbraw/zinc/05/81/73/182058173.db2.gz RNDRNWASCLVPKO-UHFFFAOYSA-N 0 3 310.441 3.834 50 0 DHAAHN CCOc1ccc(NC(=S)Nc2cc(C)ccc2O)cc1 ZINC000017030830 182068794 /nfs/dbraw/zinc/06/87/94/182068794.db2.gz RJALNUYFMKLTLB-UHFFFAOYSA-N 0 3 302.399 3.908 50 0 DHAAHN CCc1ccc([C@H](CNC(=O)Nc2ccccc2)N(C)C)cc1 ZINC000018180265 182097207 /nfs/dbraw/zinc/09/72/07/182097207.db2.gz VWYIHAWWBCPLPP-SFHVURJKSA-N 0 3 311.429 3.673 50 0 DHAAHN CCC(C)(C)c1ccc(OCCCCN2CCN(C)CC2)cc1 ZINC000020118405 182189274 /nfs/dbraw/zinc/18/92/74/182189274.db2.gz CJRUPPNQTVJBTO-UHFFFAOYSA-N 0 3 318.505 3.781 50 0 DHAAHN CC(C)(C)OC(=O)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000022050364 182306497 /nfs/dbraw/zinc/30/64/97/182306497.db2.gz IWDFFHIOVOXFOW-IAGOWNOFSA-N 0 3 316.445 3.518 50 0 DHAAHN CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)c1ccccc1 ZINC000023280464 182355755 /nfs/dbraw/zinc/35/57/55/182355755.db2.gz LVRYSLATUZYNBZ-MRXNPFEDSA-N 0 3 309.331 3.871 50 0 DHAAHN COc1ccc2ccccc2c1[C@@H]1NCC[C@]2(O)CCCC[C@H]12 ZINC000104835929 194045176 /nfs/dbraw/zinc/04/51/76/194045176.db2.gz IPCTZAPSIHIEIV-NSISKUIASA-N 0 3 311.425 3.804 50 0 DHAAHN C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000057411284 184037347 /nfs/dbraw/zinc/03/73/47/184037347.db2.gz HINFCUOERTUGCP-INIZCTEOSA-N 0 3 323.440 3.576 50 0 DHAAHN Cc1cc(CN2CCC[C@@]3(C=Cc4ccccc4O3)CC2)n[nH]1 ZINC000065383340 184332705 /nfs/dbraw/zinc/33/27/05/184332705.db2.gz GVEMHNYSNQLCIL-LJQANCHMSA-N 0 3 309.413 3.549 50 0 DHAAHN O=C(CCNCc1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000065423641 184341891 /nfs/dbraw/zinc/34/18/91/184341891.db2.gz PDMWSZLCHCIRTG-UHFFFAOYSA-N 0 3 306.768 3.598 50 0 DHAAHN CC(=O)N1CCCC[C@@H]1C1=CCCN(C/C=C/c2ccccc2)C1 ZINC000065433130 184344318 /nfs/dbraw/zinc/34/43/18/184344318.db2.gz OPGZCNQBLNDYPE-FTUXVVSKSA-N 0 3 324.468 3.733 50 0 DHAAHN COc1ccc(-c2cc(CNC3Cc4ccccc4C3)no2)cc1 ZINC000065403591 184337125 /nfs/dbraw/zinc/33/71/25/184337125.db2.gz YXHNWRABBUFGTC-UHFFFAOYSA-N 0 3 320.392 3.607 50 0 DHAAHN CC1=CCN(C(=O)c2cccc(CN3CCCCCC3)c2)CC1 ZINC000426535404 257247315 /nfs/dbraw/zinc/24/73/15/257247315.db2.gz FSUHSRVCDBLCRX-UHFFFAOYSA-N 0 3 312.457 3.855 50 0 DHAAHN Cc1cc([C@@H](C)NC2CCN(c3nccs3)CC2)c(C)o1 ZINC000097237300 337382547 /nfs/dbraw/zinc/38/25/47/337382547.db2.gz RDLHDNRWGDJPFB-GFCCVEGCSA-N 0 3 305.447 3.673 50 0 DHAAHN CC[C@@H](NCc1cc2ccccc2n(C)c1=O)c1cccs1 ZINC000426337127 338027726 /nfs/dbraw/zinc/02/77/26/338027726.db2.gz YQVXHAARQVSGBI-OAHLLOKOSA-N 0 3 312.438 3.841 50 0 DHAAHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 ZINC000026466601 563425662 /nfs/dbraw/zinc/42/56/62/563425662.db2.gz CQUXPSSVNJRRNB-BZPMIXESSA-N 0 3 308.853 3.953 50 0 DHAAHN O[C@@H](CNCc1ccc(Cl)cc1)CSc1ccccc1 ZINC000000074166 563213247 /nfs/dbraw/zinc/21/32/47/563213247.db2.gz DUIDJNSSJNRUHB-HNNXBMFYSA-N 0 3 307.846 3.583 50 0 DHAAHN O[C@H](CNCc1ccc(Cl)cc1)CSc1ccccc1 ZINC000000074164 563213272 /nfs/dbraw/zinc/21/32/72/563213272.db2.gz DUIDJNSSJNRUHB-OAHLLOKOSA-N 0 3 307.846 3.583 50 0 DHAAHN CN(C)CCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000000073582 563213482 /nfs/dbraw/zinc/21/34/82/563213482.db2.gz HTXOERKCSADZHX-UHFFFAOYSA-N 0 3 313.470 3.720 50 0 DHAAHN O[C@H](CNCc1ccco1)Cn1c2ccccc2c2ccccc21 ZINC000000277120 563235582 /nfs/dbraw/zinc/23/55/82/563235582.db2.gz PWDXMUGOYSJNDS-OAHLLOKOSA-N 0 3 320.392 3.538 50 0 DHAAHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1F ZINC000000383068 563248439 /nfs/dbraw/zinc/24/84/39/563248439.db2.gz BKUYBACBXMHXIA-AWEZNQCLSA-N 0 3 301.361 3.503 50 0 DHAAHN O=C(NCCN1CCCCCC1)c1cc2c(cccc2F)s1 ZINC000071884663 563280984 /nfs/dbraw/zinc/28/09/84/563280984.db2.gz ONOJOXOEDSLKDW-UHFFFAOYSA-N 0 3 320.433 3.646 50 0 DHAAHN CCCCN1CCc2c1nc1ccc(Br)cc1c2N ZINC000001823622 563296590 /nfs/dbraw/zinc/29/65/90/563296590.db2.gz XHNLICSHYXRRRU-UHFFFAOYSA-N 0 3 320.234 3.742 50 0 DHAAHN CCOCCCNCc1cc(Cl)cc(Cl)c1OCC ZINC000002178139 563301429 /nfs/dbraw/zinc/30/14/29/563301429.db2.gz YHQONDIDRGUSLF-UHFFFAOYSA-N 0 3 306.233 3.908 50 0 DHAAHN Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)c(C)c1 ZINC000006742318 563333983 /nfs/dbraw/zinc/33/39/83/563333983.db2.gz NIJAVBOLKUYEMU-UHFFFAOYSA-N 0 3 315.461 3.786 50 0 DHAAHN CN(C)C/C=C(\c1ccc(Br)cc1)c1cccnc1 ZINC000007996519 563343815 /nfs/dbraw/zinc/34/38/15/563343815.db2.gz OYPPVKRFBIWMSX-CXUHLZMHSA-N 0 3 317.230 3.837 50 0 in-man DHAAHN CC1CCC(NC(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000008746211 563349782 /nfs/dbraw/zinc/34/97/82/563349782.db2.gz BDEJZEGJPXGMDQ-UHFFFAOYSA-N 0 3 314.473 3.981 50 0 DHAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccccc1 ZINC000012655777 563372167 /nfs/dbraw/zinc/37/21/67/563372167.db2.gz QMVOVIVYPUFDEL-PKOBYXMFSA-N 0 3 321.424 3.835 50 0 biogenic DHAAHN CC[C@H](CNC(=O)c1cc2ccccc2s1)N1CCCC1 ZINC000032654049 563375560 /nfs/dbraw/zinc/37/55/60/563375560.db2.gz RINUDAASZOHTDJ-CQSZACIVSA-N 0 3 302.443 3.506 50 0 DHAAHN Clc1nc2cc3c(cc2cc1CNCC1CCCC1)OCO3 ZINC000013999009 563394205 /nfs/dbraw/zinc/39/42/05/563394205.db2.gz BFJYFFAZTRRBSD-UHFFFAOYSA-N 0 3 318.804 3.897 50 0 DHAAHN OCc1ccc(CN2CCC[C@@H](CCc3cccc(F)c3)C2)o1 ZINC000014967137 563404831 /nfs/dbraw/zinc/40/48/31/563404831.db2.gz GOWYNPXTTJQRTH-INIZCTEOSA-N 0 3 317.404 3.756 50 0 DHAAHN Cc1c2c(cc3c1[C@@H](n1ccc4ccccc41)N(C)CC3)OCO2 ZINC000015107702 563407867 /nfs/dbraw/zinc/40/78/67/563407867.db2.gz BOVMWYXULVNIRA-HXUWFJFHSA-N 0 3 320.392 3.713 50 0 DHAAHN Cc1ccccc1[C@H](C)NCc1ccc(-n2cncn2)c(F)c1 ZINC000032900920 563410440 /nfs/dbraw/zinc/41/04/40/563410440.db2.gz ARIJHOMXFVDGHR-AWEZNQCLSA-N 0 3 310.376 3.566 50 0 DHAAHN c1ccc2oc([C@H]3CCCN(C[C@@H]4CCCCO4)C3)nc2c1 ZINC000069876337 563419798 /nfs/dbraw/zinc/41/97/98/563419798.db2.gz PYEGMPUJZVMPGR-GJZGRUSLSA-N 0 3 300.402 3.576 50 0 DHAAHN Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000027582167 563428749 /nfs/dbraw/zinc/42/87/49/563428749.db2.gz WLFZXMPGOWHGHP-INIZCTEOSA-N 0 3 314.454 3.623 50 0 DHAAHN Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000027604827 563428815 /nfs/dbraw/zinc/42/88/15/563428815.db2.gz BTJBMZFQQBHNOP-MRXNPFEDSA-N 0 3 314.454 3.623 50 0 DHAAHN CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000027793091 563429910 /nfs/dbraw/zinc/42/99/10/563429910.db2.gz GRJACNMGYWJFSY-GOSISDBHSA-N 0 3 302.462 3.684 50 0 DHAAHN Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)c1 ZINC000028291995 563431559 /nfs/dbraw/zinc/43/15/59/563431559.db2.gz IZCCIKREPBZGQD-HXUWFJFHSA-N 0 3 322.452 3.952 50 0 DHAAHN Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2)N(C)C)c(C)c1 ZINC000029689902 563435478 /nfs/dbraw/zinc/43/54/78/563435478.db2.gz HLEYIAZXCACACM-FQEVSTJZSA-N 0 3 324.468 3.655 50 0 DHAAHN COc1cccc(CC[C@@H]2CCCN(Cc3c[nH]c(C)n3)C2)c1 ZINC000055054568 563471186 /nfs/dbraw/zinc/47/11/86/563471186.db2.gz BPBUTLFAKZAVMF-KRWDZBQOSA-N 0 3 313.445 3.572 50 0 DHAAHN COc1cccc(CC[C@@H]2CCCN(Cc3cnc(C)[nH]3)C2)c1 ZINC000055054568 563471187 /nfs/dbraw/zinc/47/11/87/563471187.db2.gz BPBUTLFAKZAVMF-KRWDZBQOSA-N 0 3 313.445 3.572 50 0 DHAAHN CC[C@@H](CO)N(Cc1cc(C(C)(C)C)[nH]n1)Cc1cccs1 ZINC000055153543 563471577 /nfs/dbraw/zinc/47/15/77/563471577.db2.gz FSKVLZLFPRDRTP-AWEZNQCLSA-N 0 3 321.490 3.542 50 0 DHAAHN Cc1nc(CN2CCC[C@H](CCc3ccc(F)cc3F)C2)c[nH]1 ZINC000055109197 563471959 /nfs/dbraw/zinc/47/19/59/563471959.db2.gz CVWDHFNUGNRUIF-CQSZACIVSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1ncc(CN2CCC[C@H](CCc3ccc(F)cc3F)C2)[nH]1 ZINC000055109197 563471960 /nfs/dbraw/zinc/47/19/60/563471960.db2.gz CVWDHFNUGNRUIF-CQSZACIVSA-N 0 3 319.399 3.841 50 0 DHAAHN O[C@@H]1CN(Cc2ccccn2)CC[C@H]1c1ccc2ccccc2c1 ZINC000067713664 563489449 /nfs/dbraw/zinc/48/94/49/563489449.db2.gz DNSFNBTTWBROTN-LEWJYISDSA-N 0 3 318.420 3.585 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000067739555 563489678 /nfs/dbraw/zinc/48/96/78/563489678.db2.gz PWFYKTXTSJRMBV-LJQANCHMSA-N 0 3 309.413 3.549 50 0 DHAAHN CC(C)C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)O ZINC000067773410 563490748 /nfs/dbraw/zinc/49/07/48/563490748.db2.gz QOXYVCCXLSZUPI-FXAWDEMLSA-N 0 3 312.457 3.854 50 0 DHAAHN Cc1nc(C(C)C)sc1-c1nc(CC2CCN(C)CC2)no1 ZINC000067805259 563491198 /nfs/dbraw/zinc/49/11/98/563491198.db2.gz IUYZBLNXWPJXAA-UHFFFAOYSA-N 0 3 320.462 3.509 50 0 DHAAHN CCCC[C@@H](C1=CCCN(C)C1)N(C)C(=O)c1cccs1 ZINC000067804629 563491348 /nfs/dbraw/zinc/49/13/48/563491348.db2.gz BPAZIYMUVBQCLR-HNNXBMFYSA-N 0 3 306.475 3.641 50 0 DHAAHN COc1ccc(CN2CCCC2)cc1Oc1ccc(Cl)nn1 ZINC000067883498 563493602 /nfs/dbraw/zinc/49/36/02/563493602.db2.gz PUQTWNZXVARLCO-UHFFFAOYSA-N 0 3 319.792 3.527 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071575573 563499972 /nfs/dbraw/zinc/49/99/72/563499972.db2.gz RKWZTTIYUVFVMP-MRXNPFEDSA-N 0 3 301.409 3.702 50 0 DHAAHN COc1ccc2cc([C@@H]3CN(c4ccncc4)CCO3)ccc2c1 ZINC000071775514 563500858 /nfs/dbraw/zinc/50/08/58/563500858.db2.gz UNRIDEONXLJPBM-FQEVSTJZSA-N 0 3 320.392 3.821 50 0 DHAAHN Cc1nnc(CNC2(Cc3ccccc3)CCCC2)n1C1CC1 ZINC000097112689 563505860 /nfs/dbraw/zinc/50/58/60/563505860.db2.gz INWXNAILNHYSPK-UHFFFAOYSA-N 0 3 310.445 3.567 50 0 DHAAHN Cc1cc(N2CCC[C@@H](Cn3ccnc3)C2)c2ccccc2n1 ZINC000077378297 563509444 /nfs/dbraw/zinc/50/94/44/563509444.db2.gz KZXUUKOYNGVJSF-INIZCTEOSA-N 0 3 306.413 3.656 50 0 DHAAHN Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1CN(C)C ZINC000008572509 563522466 /nfs/dbraw/zinc/52/24/66/563522466.db2.gz XXNPXPBMMTXMAE-UHFFFAOYSA-N 0 3 322.408 3.889 50 0 DHAAHN C[C@@H](C(=O)N(C)Cc1ccc(Cl)s1)[C@H](N)c1ccccc1 ZINC000130223671 563522619 /nfs/dbraw/zinc/52/26/19/563522619.db2.gz OVVXCPMYEKRURL-ABAIWWIYSA-N 0 3 322.861 3.696 50 0 DHAAHN Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCCC1 ZINC000008717964 563523132 /nfs/dbraw/zinc/52/31/32/563523132.db2.gz POEIVDKJMAADOZ-UHFFFAOYSA-N 0 3 314.429 3.879 50 0 DHAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CC(C)(C)C ZINC000072672990 563527049 /nfs/dbraw/zinc/52/70/49/563527049.db2.gz RLPJXNQNQYXKHE-RDJZCZTQSA-N 0 3 300.446 3.566 50 0 DHAAHN CCCN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1OC(F)F)C2 ZINC000095388556 563530018 /nfs/dbraw/zinc/53/00/18/563530018.db2.gz JKWGDWDWEPHRJO-GOEBONIOSA-N 0 3 324.415 3.594 50 0 DHAAHN COc1cc(C)cc(-c2ccccc2OCCN(C)C)c1OC ZINC000096141904 563534053 /nfs/dbraw/zinc/53/40/53/563534053.db2.gz ZYAOWXLDNRUGJI-UHFFFAOYSA-N 0 3 315.413 3.620 50 0 DHAAHN Cc1cc(OCc2ccccc2)ccc1-c1nc2c([nH]1)CNCC2 ZINC000097505727 563539396 /nfs/dbraw/zinc/53/93/96/563539396.db2.gz ACHDJGHFKNIHKK-UHFFFAOYSA-N 0 3 319.408 3.610 50 0 DHAAHN O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCCCC1 ZINC000000212192 563578155 /nfs/dbraw/zinc/57/81/55/563578155.db2.gz YJIJWKMUBGQTJC-MRXNPFEDSA-N 0 3 320.864 3.565 50 0 DHAAHN COc1ccc(CNCCc2nc3ccccc3[nH]2)cc1Cl ZINC000113398981 563581720 /nfs/dbraw/zinc/58/17/20/563581720.db2.gz YJOPBGLCBRGDDS-UHFFFAOYSA-N 0 3 315.804 3.557 50 0 DHAAHN COc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cn1 ZINC000215080548 563704654 /nfs/dbraw/zinc/70/46/54/563704654.db2.gz NKIQHPPFTQJQPT-UHFFFAOYSA-N 0 3 314.404 3.684 50 0 DHAAHN Cc1n[nH]c(C)c1CCN(C)Cc1[nH]c2c(cccc2C)c1C ZINC000216539935 563710418 /nfs/dbraw/zinc/71/04/18/563710418.db2.gz DBBMDZPCYXFWMC-UHFFFAOYSA-N 0 3 310.445 3.799 50 0 DHAAHN Cn1nccc1CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000242242300 563778195 /nfs/dbraw/zinc/77/81/95/563778195.db2.gz XTQUIJLMIDWNBL-LJQANCHMSA-N 0 3 308.429 3.671 50 0 DHAAHN Cc1cc(CNCc2c[nH]nc2-c2cccs2)ccc1F ZINC000012530397 563798154 /nfs/dbraw/zinc/79/81/54/563798154.db2.gz MJPOSYZXPAIURF-UHFFFAOYSA-N 0 3 301.390 3.876 50 0 DHAAHN C[C@@H](NCc1ccc(Cl)nc1)c1cccc(-n2ccnc2)c1 ZINC000083473202 563811348 /nfs/dbraw/zinc/81/13/48/563811348.db2.gz GFHAKBYEDWSNAN-CYBMUJFWSA-N 0 3 312.804 3.772 50 0 DHAAHN Cc1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1Cl ZINC000084183009 563824688 /nfs/dbraw/zinc/82/46/88/563824688.db2.gz SHFNSQHTHHWPEC-CJNGLKHVSA-N 0 3 321.852 3.596 50 0 DHAAHN CCC(=O)N[C@H]1CCCN([C@@H](C)CCSc2ccccc2)C1 ZINC000084718680 563830508 /nfs/dbraw/zinc/83/05/08/563830508.db2.gz DLGNDWTWKHHPGJ-HOTGVXAUSA-N 0 3 320.502 3.548 50 0 DHAAHN Cc1cc(Cl)ccc1CNCc1cccc(-c2nc[nH]n2)c1 ZINC000129729248 563851006 /nfs/dbraw/zinc/85/10/06/563851006.db2.gz RMLXBZVZQYTPHD-UHFFFAOYSA-N 0 3 312.804 3.723 50 0 DHAAHN C[C@H]1CN2CCCC[C@H]2CN1Cc1cccc(Br)c1 ZINC000225323911 563870100 /nfs/dbraw/zinc/87/01/00/563870100.db2.gz MRKCJPAPJDNYPQ-BBRMVZONSA-N 0 3 323.278 3.508 50 0 DHAAHN O[C@H](CN1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000013005606 563875079 /nfs/dbraw/zinc/87/50/79/563875079.db2.gz XCINSJOBIPZONT-OAQYLSRUSA-N 0 3 318.420 3.991 50 0 DHAAHN C[C@@H](NC(=O)CN1CCCC[C@H]1C)c1cccc2ccccc21 ZINC000241135429 563880414 /nfs/dbraw/zinc/88/04/14/563880414.db2.gz JPHNFGDUMGHUFQ-HZPDHXFCSA-N 0 3 310.441 3.891 50 0 DHAAHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nnc(Cc2ccccc2)o1 ZINC000241132897 563880438 /nfs/dbraw/zinc/88/04/38/563880438.db2.gz JMYNPIRIZRDSJX-HYVNUMGLSA-N 0 3 311.429 3.813 50 0 DHAAHN C[C@H](NC(=O)CN1CCC[C@H](C)C1)c1cccc2ccccc21 ZINC000007340727 563905502 /nfs/dbraw/zinc/90/55/02/563905502.db2.gz PMKGCAPOHFZFLU-HOTGVXAUSA-N 0 3 310.441 3.749 50 0 DHAAHN COc1ccc(F)cc1-c1cncc(CN2CCCCC2)c1 ZINC000037279068 563907968 /nfs/dbraw/zinc/90/79/68/563907968.db2.gz REYJKQYIFCZYFZ-UHFFFAOYSA-N 0 3 300.377 3.882 50 0 DHAAHN COc1ccc([C@H]2C[C@H](C)N(Cc3nc(C)c(C)o3)C2)cc1 ZINC000076391578 563912708 /nfs/dbraw/zinc/91/27/08/563912708.db2.gz BYBMAZJWTHVUAJ-LRDDRELGSA-N 0 3 300.402 3.678 50 0 DHAAHN Cc1ccc(NC(=S)N2CCN(C3CCCCC3)CC2)cc1 ZINC000003017828 563913128 /nfs/dbraw/zinc/91/31/28/563913128.db2.gz OCWHLSZDUOYRJJ-UHFFFAOYSA-N 0 3 317.502 3.642 50 0 DHAAHN Cc1cc(C)cc(NC(=S)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000252457271 563915206 /nfs/dbraw/zinc/91/52/06/563915206.db2.gz SCSLOYNFQURBCX-HZPDHXFCSA-N 0 3 319.518 3.853 50 0 DHAAHN C[C@@H]1C[C@@H]1[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000252477531 563915825 /nfs/dbraw/zinc/91/58/25/563915825.db2.gz QBFAPZJYBWVMFE-ARESOWRYSA-N 0 3 313.466 3.911 50 0 DHAAHN C[C@@H]1C[NH+]=C(c2ccccc2)C=C(c2cc(Cl)ccc2[O-])N1 ZINC000107941615 563924168 /nfs/dbraw/zinc/92/41/68/563924168.db2.gz VWWDYAIHGPYVFI-GFCCVEGCSA-N 0 3 312.800 3.868 50 0 DHAAHN CCCO[C@@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000076412814 563924233 /nfs/dbraw/zinc/92/42/33/563924233.db2.gz OOCYMHYGCOHHHG-CQSZACIVSA-N 0 3 324.852 3.560 50 0 DHAAHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000253432971 563925704 /nfs/dbraw/zinc/92/57/04/563925704.db2.gz QHWHYJMHKIVDSL-WMZOPIPTSA-N 0 3 313.445 3.512 50 0 DHAAHN CC(C)C[C@H](NC[C@H](O)c1ccccc1F)c1ccccn1 ZINC000095967384 563932864 /nfs/dbraw/zinc/93/28/64/563932864.db2.gz POFNULPCOJSEBD-ROUUACIJSA-N 0 3 302.393 3.631 50 0 DHAAHN CC(C)C[C@@H](NC[C@@H](O)c1ccccc1F)c1ccccn1 ZINC000095967387 563932948 /nfs/dbraw/zinc/93/29/48/563932948.db2.gz POFNULPCOJSEBD-QZTJIDSGSA-N 0 3 302.393 3.631 50 0 DHAAHN COc1cc([C@H](C)N[C@@H](C)[C@@H]2CCCO2)ccc1OC(F)F ZINC000095967289 563932986 /nfs/dbraw/zinc/93/29/86/563932986.db2.gz BYZNMDOTPVDFBT-GVXVVHGQSA-N 0 3 315.360 3.515 50 0 DHAAHN CCC(=O)N1CC[C@H](N[C@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000095988002 563934086 /nfs/dbraw/zinc/93/40/86/563934086.db2.gz YVEDMSPDDWZJFT-RISCZKNCSA-N 0 3 320.820 3.748 50 0 DHAAHN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cccc(CO)c2)c1 ZINC000095988796 563934094 /nfs/dbraw/zinc/93/40/94/563934094.db2.gz ITIVZQKDAXNEIL-UONOGXRCSA-N 0 3 312.413 3.549 50 0 DHAAHN C[C@@]1(CC(=O)Nc2ccccc2)NCCc2c3ccccc3[nH]c21 ZINC000096028085 563935218 /nfs/dbraw/zinc/93/52/18/563935218.db2.gz OVVJGBCTEJFQJK-FQEVSTJZSA-N 0 3 319.408 3.558 50 0 DHAAHN COc1ccc(CNC/C(C)=C\c2ccccc2)cc1NC(C)=O ZINC000096403162 563936578 /nfs/dbraw/zinc/93/65/78/563936578.db2.gz RRBKGILPOMSSMA-PTNGSMBKSA-N 0 3 324.424 3.847 50 0 DHAAHN Cc1cnn(C2CCN(CCSc3ccccc3)CC2)c1 ZINC000096410343 563936781 /nfs/dbraw/zinc/93/67/81/563936781.db2.gz RDPMDXOMZJBYES-UHFFFAOYSA-N 0 3 301.459 3.621 50 0 DHAAHN Cn1cc(CN[C@@H]2CCCc3ccccc32)c(-c2cccnc2)n1 ZINC000097159736 563937888 /nfs/dbraw/zinc/93/78/88/563937888.db2.gz BTLYGPYEMRAPDU-LJQANCHMSA-N 0 3 318.424 3.649 50 0 DHAAHN COc1ccccc1-c1nnc(CN[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000163014715 563942776 /nfs/dbraw/zinc/94/27/76/563942776.db2.gz VKHCNQVUEUZTGC-GZBFAFLISA-N 0 3 315.417 3.660 50 0 DHAAHN CN(C)Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000007985956 563945956 /nfs/dbraw/zinc/94/59/56/563945956.db2.gz AUPXWIPEMFTOJN-UHFFFAOYSA-N 0 3 317.820 3.723 50 0 DHAAHN CC[NH+](CC)Cc1c(C)[n-]c2c(OC)ccc(Cl)c2c1=O ZINC000008717811 563950194 /nfs/dbraw/zinc/95/01/94/563950194.db2.gz KECRVXQFMDCLHM-UHFFFAOYSA-N 0 3 308.809 3.753 50 0 DHAAHN Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1CN1CCCC1 ZINC000008717343 563950208 /nfs/dbraw/zinc/95/02/08/563950208.db2.gz OSWOARUUSCTJOJ-UHFFFAOYSA-N 0 3 310.319 3.863 50 0 DHAAHN COc1ccccc1C[C@H]1CCCN1Cc1c(C)noc1C ZINC000069683452 563954085 /nfs/dbraw/zinc/95/40/85/563954085.db2.gz YXHJHSMNPNZBMN-MRXNPFEDSA-N 0 3 300.402 3.507 50 0 DHAAHN Cc1cccc(Cl)c1NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000097095245 568413562 /nfs/dbraw/zinc/41/35/62/568413562.db2.gz UABMCAFNKFCCLR-ZFWWWQNUSA-N 0 3 321.852 3.596 50 0 DHAAHN Cc1ccc2oc(CN[C@H]3CCO[C@@H]3c3cccnc3)cc2c1 ZINC000952845117 1032663156 /nfs/dbraw/zinc/66/31/56/1032663156.db2.gz MYTXBDWYLBUKTK-PKOBYXMFSA-N 0 3 308.381 3.756 50 0 DHAAHN CCCOc1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1Cl ZINC000952986385 1032681149 /nfs/dbraw/zinc/68/11/49/1032681149.db2.gz LNGXBKIIYWNWMH-INIZCTEOSA-N 0 3 324.852 3.975 50 0 DHAAHN Cc1nc(C)c(C(=O)Nc2ccccc2CN2CCCCC2)o1 ZINC000952988844 1032686772 /nfs/dbraw/zinc/68/67/72/1032686772.db2.gz LGSPUKZMJGRPNY-UHFFFAOYSA-N 0 3 313.401 3.530 50 0 DHAAHN Cc1nccn1CC[C@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000821758584 1020273753 /nfs/dbraw/zinc/27/37/53/1020273753.db2.gz LOELPUIUBNCTGR-AWEZNQCLSA-N 0 3 308.429 3.510 50 0 DHAAHN COc1cncc(/C=C\CCN2CCC[C@H]2c2cc(C)no2)c1 ZINC000568388758 1020304997 /nfs/dbraw/zinc/30/49/97/1020304997.db2.gz ROONRGPMNPCZRO-SVEBXFOSSA-N 0 3 313.401 3.627 50 0 DHAAHN CC[C@](C)(NC1CCCCC1)c1nnnn1-c1ccccc1C ZINC000046078003 1023663430 /nfs/dbraw/zinc/66/34/30/1023663430.db2.gz HUFVBXDUGTYEDV-SFHVURJKSA-N 0 3 313.449 3.518 50 0 DHAAHN C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1ccncc1Cl ZINC000421805260 1027053583 /nfs/dbraw/zinc/05/35/83/1027053583.db2.gz WJJHOLNCIQZDAD-XJKSGUPXSA-N 0 3 319.836 3.816 50 0 DHAAHN C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(C3(O)CCC3)cc2)cc1 ZINC000863976378 1028055829 /nfs/dbraw/zinc/05/58/29/1028055829.db2.gz CRDKPDHCKFECEJ-MGPUTAFESA-N 0 3 323.436 3.775 50 0 DHAAHN CCc1cc(C)c(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)o1 ZINC000151117061 1037727575 /nfs/dbraw/zinc/72/75/75/1037727575.db2.gz GFBLVIOBODXNRG-INIZCTEOSA-N 0 3 324.424 3.775 50 0 DHAAHN C[C@H]1CCO[C@H]1C(=O)N(c1cccc2cccnc21)C1CCC1 ZINC000095427179 185361885 /nfs/dbraw/zinc/36/18/85/185361885.db2.gz WNZVDQAQDUQFRX-SCLBCKFNSA-N 0 3 310.397 3.545 50 0 DHAAHN C[C@@H](C1CC1)n1nccc1NC1CCN(Cc2ccccc2)CC1 ZINC000097009605 185396549 /nfs/dbraw/zinc/39/65/49/185396549.db2.gz DVDAWGCQDBQDTD-INIZCTEOSA-N 0 3 324.472 3.931 50 0 DHAAHN CC(C)c1ccc(CCN[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000097162463 185418005 /nfs/dbraw/zinc/41/80/05/185418005.db2.gz AAAHFLOYYZUAFV-HNNXBMFYSA-N 0 3 312.461 3.631 50 0 DHAAHN Cc1c(C)n(C[C@@H](O)CNCc2ccccc2)c2ccc(C)cc12 ZINC000028297088 190654963 /nfs/dbraw/zinc/65/49/63/190654963.db2.gz MPZAGZWOMAQZPD-IBGZPJMESA-N 0 3 322.452 3.717 50 0 DHAAHN Cc1nn(C)cc1CN1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071749958 191022129 /nfs/dbraw/zinc/02/21/29/191022129.db2.gz SKMGWZRXFVBEBY-KRWDZBQOSA-N 0 3 315.436 3.712 50 0 DHAAHN Fc1ccc(OC[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000072141929 191049675 /nfs/dbraw/zinc/04/96/75/191049675.db2.gz IUNZVMXHDUWCKU-MRXNPFEDSA-N 0 3 300.377 3.512 50 0 DHAAHN CC(C)OC(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 ZINC000072170170 191067872 /nfs/dbraw/zinc/06/78/72/191067872.db2.gz OWKUROPCQFPWDP-QGZVFWFLSA-N 0 3 304.434 3.820 50 0 DHAAHN Cc1cccc2c(CN3CCC[C@]4(CN(C)C(=O)O4)C3)cccc12 ZINC000072475735 191177864 /nfs/dbraw/zinc/17/78/64/191177864.db2.gz RBDFUHKWHVPZBQ-FQEVSTJZSA-N 0 3 324.424 3.565 50 0 DHAAHN c1cc2c(ncnc2NC2CCN(Cc3ccccc3)CC2)s1 ZINC000004324100 181098205 /nfs/dbraw/zinc/09/82/05/181098205.db2.gz VHNZPOZLUIMVIB-UHFFFAOYSA-N 0 3 324.453 3.768 50 0 DHAAHN OCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004719237 181141992 /nfs/dbraw/zinc/14/19/92/181141992.db2.gz PTKCEDPIGMNZSL-UHFFFAOYSA-N 0 3 317.432 3.951 50 0 DHAAHN CCC(=O)N1CC[C@@H](N[C@H](C)c2cc3ccccc3s2)C1 ZINC000188156569 200201785 /nfs/dbraw/zinc/20/17/85/200201785.db2.gz BMHLVSKIGLAEOX-TZMCWYRMSA-N 0 3 302.443 3.563 50 0 DHAAHN Cc1nc([C@H](C)N(C)C(=O)CN2CCCCCCC2)c(C)s1 ZINC000091873353 193121265 /nfs/dbraw/zinc/12/12/65/193121265.db2.gz MACBEUGRVNMNOG-ZDUSSCGKSA-N 0 3 323.506 3.545 50 0 DHAAHN CCc1ccc(CN2C[C@H]3CC[C@H](CN3CC=C(C)C)C2)nc1 ZINC000091943366 193130154 /nfs/dbraw/zinc/13/01/54/193130154.db2.gz QQTMNMZFLDCLGR-AZUAARDMSA-N 0 3 313.489 3.506 50 0 DHAAHN O=c1cc(C[NH2+]CCCC[C@@H]2CCCO2)[n-]c2c(F)cccc12 ZINC000092038308 193146710 /nfs/dbraw/zinc/14/67/10/193146710.db2.gz DKGXZQUCCHFKEC-CQSZACIVSA-N 0 3 318.392 3.518 50 0 DHAAHN CCS[C@@H]1CCCCN(Cc2sc(N(C)C)nc2C)C1 ZINC000093361857 193238294 /nfs/dbraw/zinc/23/82/94/193238294.db2.gz QMJSNOGYPFMYEF-CYBMUJFWSA-N 0 3 313.536 3.625 50 0 DHAAHN CCOC(=O)c1oc2c(cccc2C)c1CNc1ccncc1 ZINC000015017904 181983860 /nfs/dbraw/zinc/98/38/60/181983860.db2.gz YJBVCAQUUXZKLC-UHFFFAOYSA-N 0 3 310.353 3.925 50 0 DHAAHN CCc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000015582534 182008344 /nfs/dbraw/zinc/00/83/44/182008344.db2.gz HHXUXESSCYQGBM-UHFFFAOYSA-N 0 3 322.452 3.643 50 0 DHAAHN COc1ccc([C@H]2CCCN2Cc2ccc(O)c(OC)c2)cc1 ZINC000015837090 182020678 /nfs/dbraw/zinc/02/06/78/182020678.db2.gz NJWUCBHQBONIBW-QGZVFWFLSA-N 0 3 313.397 3.747 50 0 DHAAHN Cc1cccc(CN2CC=C(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000015861045 182022631 /nfs/dbraw/zinc/02/26/31/182022631.db2.gz IYPHTUZKKDVRAA-UHFFFAOYSA-N 0 3 324.399 3.905 50 0 DHAAHN CN(Cc1ccc(Br)cc1)C[C@@H](O)c1ccccc1 ZINC000019609104 182133708 /nfs/dbraw/zinc/13/37/08/182133708.db2.gz ZDBSNVWWJUNUKN-MRXNPFEDSA-N 0 3 320.230 3.615 50 0 DHAAHN CC(C)c1ccc([C@H](CN)N2CCc3sccc3C2)cc1 ZINC000019770048 182144734 /nfs/dbraw/zinc/14/47/34/182144734.db2.gz JWGZANXWSYSDOX-KRWDZBQOSA-N 0 3 300.471 3.930 50 0 DHAAHN CC[C@H](C)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019889627 182161122 /nfs/dbraw/zinc/16/11/22/182161122.db2.gz SUEGNHBVKRMQOH-ZDUSSCGKSA-N 0 3 300.368 3.622 50 0 DHAAHN CC[C@@H](C)c1ccccc1OCCCCN1CCN(C)CC1 ZINC000020118135 182189159 /nfs/dbraw/zinc/18/91/59/182189159.db2.gz MHYJGFGMYIXMLH-QGZVFWFLSA-N 0 3 304.478 3.607 50 0 DHAAHN OC(CNCc1ccccc1F)(c1ccccc1)c1ccccc1 ZINC000020365938 182211503 /nfs/dbraw/zinc/21/15/03/182211503.db2.gz HYGHUOZWMRFRMT-UHFFFAOYSA-N 0 3 321.395 3.851 50 0 DHAAHN CCOc1ccc2oc(=O)cc(CN3CCCCCC3)c2c1 ZINC000020446820 182218116 /nfs/dbraw/zinc/21/81/16/182218116.db2.gz VAHQXBWVPLUSOT-UHFFFAOYSA-N 0 3 301.386 3.568 50 0 DHAAHN CCc1c(CN2CCN(Cc3ccccc3)CC2)csc1C ZINC000020514407 182226591 /nfs/dbraw/zinc/22/65/91/182226591.db2.gz XKANNKLAUYHWPO-UHFFFAOYSA-N 0 3 314.498 3.937 50 0 DHAAHN CCC(=O)c1ccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020652929 182241944 /nfs/dbraw/zinc/24/19/44/182241944.db2.gz XMWUZASLQCBKFX-HZPDHXFCSA-N 0 3 319.445 3.548 50 0 DHAAHN CN1CCN(CCCCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000022184704 182312234 /nfs/dbraw/zinc/31/22/34/182312234.db2.gz MWNGYZOYEJFLFT-UHFFFAOYSA-N 0 3 318.505 3.781 50 0 DHAAHN Cc1nn(C)c(C)c1CN1CCC(Cc2ccccc2F)CC1 ZINC000032519510 182646043 /nfs/dbraw/zinc/64/60/43/182646043.db2.gz WFNDWRMXTJEAQX-UHFFFAOYSA-N 0 3 315.436 3.631 50 0 DHAAHN CC(C)[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccccc1 ZINC000040002685 183027374 /nfs/dbraw/zinc/02/73/74/183027374.db2.gz OHCMDCOUVYMADX-PBHICJAKSA-N 0 3 316.470 3.740 50 0 DHAAHN CCCCNC(=O)C1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000042133810 183234162 /nfs/dbraw/zinc/23/41/62/183234162.db2.gz ROJIQUGKKUDKIM-CQSZACIVSA-N 0 3 306.425 3.515 50 0 DHAAHN c1[nH]nc(-c2cccnc2)c1CN[C@H]1CCSc2ccccc21 ZINC000042956918 183323096 /nfs/dbraw/zinc/32/30/96/183323096.db2.gz MCQBCKCRZJMPCQ-INIZCTEOSA-N 0 3 322.437 3.798 50 0 DHAAHN C[C@@H](NCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000057303446 184032789 /nfs/dbraw/zinc/03/27/89/184032789.db2.gz IGDZQGSTRHSCND-OAHLLOKOSA-N 0 3 304.393 3.957 50 0 DHAAHN C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000058160752 184081894 /nfs/dbraw/zinc/08/18/94/184081894.db2.gz GWKFRPFDMSUKOX-BEFAXECRSA-N 0 3 320.436 3.631 50 0 DHAAHN C[C@@H](CC(F)(F)F)NCCc1csc(-c2cccnc2)n1 ZINC000065373794 184330733 /nfs/dbraw/zinc/33/07/33/184330733.db2.gz IHHXUHDMBKMFQY-JTQLQIEISA-N 0 3 315.364 3.678 50 0 DHAAHN COc1cccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000065467037 184349992 /nfs/dbraw/zinc/34/99/92/184349992.db2.gz AWKDUMKNYUHFOY-HNNXBMFYSA-N 0 3 324.424 3.673 50 0 DHAAHN CC(C)c1nccn1[C@@H](C)c1nnc(CCc2ccccc2)[nH]1 ZINC000065534799 184362372 /nfs/dbraw/zinc/36/23/72/184362372.db2.gz REDQUUFXUCPYAL-AWEZNQCLSA-N 0 3 309.417 3.519 50 0 DHAAHN CC(C)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=S)N2 ZINC000067172592 184452424 /nfs/dbraw/zinc/45/24/24/184452424.db2.gz SVNZDLOMSIQRDE-UHFFFAOYSA-N 0 3 321.877 3.672 50 0 DHAAHN C[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(C(F)(F)F)nc1Cl ZINC000521394533 257240707 /nfs/dbraw/zinc/24/07/07/257240707.db2.gz PJRCCRQYDWQHAA-GUBZILKMSA-N 0 3 322.758 3.829 50 0 DHAAHN CC(=O)c1ccc(N2CCN([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000012385110 134506080 /nfs/dbraw/zinc/50/60/80/134506080.db2.gz GTTRUHLJEHMXKG-HNAYVOBHSA-N 0 3 300.446 3.590 50 0 DHAAHN Cc1cc(-c2nnc(CN(C)[C@@H]3CCCC[C@@H]3C)o2)c(C)o1 ZINC000097103346 337382357 /nfs/dbraw/zinc/38/23/57/337382357.db2.gz NPLHIJKKNIZWBC-XHDPSFHLSA-N 0 3 303.406 3.957 50 0 DHAAHN C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626895 563908847 /nfs/dbraw/zinc/90/88/47/563908847.db2.gz VAHGGHDEELJVNP-HKUYNNGSSA-N 0 3 304.478 3.600 50 0 DHAAHN C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@]2(CC=CCC2)C1 ZINC000230212445 563942076 /nfs/dbraw/zinc/94/20/76/563942076.db2.gz VAHGGHDEELJVNP-PKOBYXMFSA-N 0 3 304.478 3.600 50 0 DHAAHN c1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2s1 ZINC000000116559 563219182 /nfs/dbraw/zinc/21/91/82/563219182.db2.gz YNDAKUSZOZEHBE-UHFFFAOYSA-N 0 3 324.453 3.768 50 0 DHAAHN O=C(CNC1CCCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000000167612 563226291 /nfs/dbraw/zinc/22/62/91/563226291.db2.gz YDVHZUJZXRAOIC-UHFFFAOYSA-N 0 3 301.217 3.854 50 0 DHAAHN C[C@@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001456778 563284185 /nfs/dbraw/zinc/28/41/85/563284185.db2.gz VNTNOLGODDWLEJ-PBHICJAKSA-N 0 3 320.864 3.677 50 0 DHAAHN C[C@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001456775 563284190 /nfs/dbraw/zinc/28/41/90/563284190.db2.gz VNTNOLGODDWLEJ-WMLDXEAASA-N 0 3 320.864 3.677 50 0 DHAAHN CC[C@@H](CO)NCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474349 563357630 /nfs/dbraw/zinc/35/76/30/563357630.db2.gz KSZZCOCKBIZBTQ-INIZCTEOSA-N 0 3 319.832 3.780 50 0 DHAAHN Fc1ccc(CC[C@@H]2CCCN(Cc3c[nH]cn3)C2)cc1F ZINC000012297171 563365582 /nfs/dbraw/zinc/36/55/82/563365582.db2.gz QNUNXGPXVQIVIR-AWEZNQCLSA-N 0 3 305.372 3.533 50 0 DHAAHN Fc1ccc(CC[C@@H]2CCCN(Cc3cnc[nH]3)C2)cc1F ZINC000012297171 563365586 /nfs/dbraw/zinc/36/55/86/563365586.db2.gz QNUNXGPXVQIVIR-AWEZNQCLSA-N 0 3 305.372 3.533 50 0 DHAAHN CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000012650422 563372416 /nfs/dbraw/zinc/37/24/16/563372416.db2.gz FYIUUQUPOKIKNI-UHFFFAOYSA-N 0 3 322.452 3.747 50 0 in-vitro DHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1ccccc1 ZINC000012806196 563374194 /nfs/dbraw/zinc/37/41/94/563374194.db2.gz CNWSNZSSJSLCTJ-SFHVURJKSA-N 0 3 309.413 3.645 50 0 DHAAHN CC(C)[C@]12CC[C@](C)(O1)[C@@H](Oc1cccc(Cl)c1CN)C2 ZINC000013401042 563381346 /nfs/dbraw/zinc/38/13/46/563381346.db2.gz XDWGFIVVEJQCFN-YESZJQIVSA-N 0 3 309.837 3.914 50 0 DHAAHN CC(=O)Nc1ccc(CNCCSCc2cccs2)cc1 ZINC000014138469 563396275 /nfs/dbraw/zinc/39/62/75/563396275.db2.gz DQOXYKPMZQELKA-UHFFFAOYSA-N 0 3 320.483 3.730 50 0 DHAAHN CC(C)CC(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027662522 563429577 /nfs/dbraw/zinc/42/95/77/563429577.db2.gz FLXUPPSIEPRNGJ-OAHLLOKOSA-N 0 3 308.491 3.828 50 0 DHAAHN Cc1ccc([C@@H](CNC(=O)c2ccccc2)N2CCCC2)cc1 ZINC000027793174 563430155 /nfs/dbraw/zinc/43/01/55/563430155.db2.gz DORSJNADSFCFJJ-LJQANCHMSA-N 0 3 308.425 3.562 50 0 DHAAHN Cc1ccc(CCC(=O)NC[C@H](c2ccccc2)N(C)C)c(C)c1 ZINC000029689908 563435542 /nfs/dbraw/zinc/43/55/42/563435542.db2.gz HLEYIAZXCACACM-HXUWFJFHSA-N 0 3 324.468 3.655 50 0 DHAAHN CCN(CC)[C@@H](CNCc1cccc(F)c1F)c1ccco1 ZINC000032603481 563443529 /nfs/dbraw/zinc/44/35/29/563443529.db2.gz OVJMKMFRBXBGQI-HNNXBMFYSA-N 0 3 308.372 3.731 50 0 DHAAHN CCCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000002151468 563448205 /nfs/dbraw/zinc/44/82/05/563448205.db2.gz BGRBXELRMMVNBC-FUHWJXTLSA-N 0 3 300.446 3.710 50 0 biogenic DHAAHN Clc1ccc(COCc2ccc3c(c2)CNCCO3)cc1 ZINC000034928815 563452114 /nfs/dbraw/zinc/45/21/14/563452114.db2.gz UOYBQTFLJTXBFV-UHFFFAOYSA-N 0 3 303.789 3.539 50 0 DHAAHN CC(C)[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1cccs1 ZINC000037031197 563458290 /nfs/dbraw/zinc/45/82/90/563458290.db2.gz FHQXRTLBKQJZHF-RHSMWYFYSA-N 0 3 302.443 3.652 50 0 DHAAHN CN(C)Cc1sc2c(c1NC(=O)c1ccccc1)CCCC2 ZINC000044831197 563462377 /nfs/dbraw/zinc/46/23/77/563462377.db2.gz NKSVVEAZGCZGLB-UHFFFAOYSA-N 0 3 314.454 3.941 50 0 DHAAHN CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CCN(C)C1 ZINC000071766992 563465765 /nfs/dbraw/zinc/46/57/65/563465765.db2.gz HHSVHCQGHUDCDI-IBGZPJMESA-N 0 3 307.437 3.904 50 0 DHAAHN CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@@H]1OC[C@@H](CN2CCCCC2)O1 ZINC000013656093 563468417 /nfs/dbraw/zinc/46/84/17/563468417.db2.gz IUQYLYYXKZJRJM-YYWYGQEZSA-N 0 3 307.478 3.676 50 0 DHAAHN CC(C)CN(Cc1ccc(-n2cccn2)cc1)Cc1ccccn1 ZINC000055088274 563471161 /nfs/dbraw/zinc/47/11/61/563471161.db2.gz RPQMOUUDFPTDKO-UHFFFAOYSA-N 0 3 320.440 3.926 50 0 DHAAHN CC[C@@H](C)N(Cc1ccc(-c2cc[nH]n2)o1)Cc1ccncc1 ZINC000055166950 563472068 /nfs/dbraw/zinc/47/20/68/563472068.db2.gz AOZFFAPGQSNPFO-CQSZACIVSA-N 0 3 310.401 3.865 50 0 DHAAHN CC(C)C[C@@H](NC[C@](C)(O)c1cccs1)c1ccccn1 ZINC000095422976 563477079 /nfs/dbraw/zinc/47/70/79/563477079.db2.gz PWHSZVALJYDNOB-WBVHZDCISA-N 0 3 304.459 3.728 50 0 DHAAHN CS[C@@H](C)CCN(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067654138 563488909 /nfs/dbraw/zinc/48/89/09/563488909.db2.gz NUEJFWUPPAQKJV-LBPRGKRZSA-N 0 3 307.438 3.789 50 0 DHAAHN CN(Cc1cccc(Cl)c1)Cc1cc2ccccc2[nH]c1=O ZINC000067740368 563489499 /nfs/dbraw/zinc/48/94/99/563489499.db2.gz NNKUEXDBLZEYLG-UHFFFAOYSA-N 0 3 312.800 3.814 50 0 DHAAHN c1[nH]nc(C2CCN(Cc3cccnc3)CC2)c1-c1ccccc1 ZINC000067803200 563491411 /nfs/dbraw/zinc/49/14/11/563491411.db2.gz DTGMPCJLFCCZCU-UHFFFAOYSA-N 0 3 318.424 3.851 50 0 DHAAHN c1ccc2c(c1)[nH]c1c2CCN(C[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000067909995 563493538 /nfs/dbraw/zinc/49/35/38/563493538.db2.gz XWGJOMIDPBQEMP-HRAATJIYSA-N 0 3 323.484 3.791 50 0 DHAAHN Cc1c2cc(F)ccc2[nH]c1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000067983014 563494716 /nfs/dbraw/zinc/49/47/16/563494716.db2.gz AWFAHZDUESCKMH-ZDUSSCGKSA-N 0 3 312.392 3.718 50 0 DHAAHN COc1ccc2oc(CNc3cc(CN(C)C)ccn3)cc2c1 ZINC000097045297 563504452 /nfs/dbraw/zinc/50/44/52/563504452.db2.gz JVTXUBIPDAEXFK-UHFFFAOYSA-N 0 3 311.385 3.510 50 0 DHAAHN CC(=O)c1c(C)oc2ccc(OCCN3CCCCC3)cc21 ZINC000000034430 563505846 /nfs/dbraw/zinc/50/58/46/563505846.db2.gz DKJFKQHJLMSBNZ-UHFFFAOYSA-N 0 3 301.386 3.809 50 0 DHAAHN CC(C)c1ccc(CCN[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000097162464 563507755 /nfs/dbraw/zinc/50/77/55/563507755.db2.gz AAAHFLOYYZUAFV-OAHLLOKOSA-N 0 3 312.461 3.631 50 0 DHAAHN CC(=O)c1ccc(CN(C)C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000077391662 563509920 /nfs/dbraw/zinc/50/99/20/563509920.db2.gz GUNWUFMOGFUHQC-LJQANCHMSA-N 0 3 322.452 3.848 50 0 DHAAHN CC(C)OC[C@H](O)CN(C)Cc1ccc(-c2ccccc2)cc1 ZINC000097287385 563515504 /nfs/dbraw/zinc/51/55/04/563515504.db2.gz XAIWLTBHSBMGBQ-HXUWFJFHSA-N 0 3 313.441 3.571 50 0 DHAAHN Oc1ccccc1N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000060755267 563523261 /nfs/dbraw/zinc/52/32/61/563523261.db2.gz MKNFMOCABTYPHS-GOSISDBHSA-N 0 3 308.425 3.592 50 0 DHAAHN CCCOc1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1 ZINC000008717133 563523404 /nfs/dbraw/zinc/52/34/04/563523404.db2.gz BAVAMAALSDWTFI-UHFFFAOYSA-N 0 3 300.402 3.633 50 0 DHAAHN COC[C@H]1CCCCN1Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000097609977 563541151 /nfs/dbraw/zinc/54/11/51/563541151.db2.gz KETZQSJOYPLHRL-QGZVFWFLSA-N 0 3 319.836 3.527 50 0 DHAAHN Cc1ncsc1CCN(C)Cc1cnc(CC2CCCC2)[nH]1 ZINC000097797306 563542883 /nfs/dbraw/zinc/54/28/83/563542883.db2.gz XHHHAEUHCPAPRN-UHFFFAOYSA-N 0 3 318.490 3.582 50 0 DHAAHN COc1ccc2ccccc2c1CNCCCOc1ccccn1 ZINC000113396936 563581978 /nfs/dbraw/zinc/58/19/78/563581978.db2.gz HTJHPANNSTYPSP-UHFFFAOYSA-N 0 3 322.408 3.802 50 0 DHAAHN COCCNCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248138231 563606210 /nfs/dbraw/zinc/60/62/10/563606210.db2.gz DKNUJZXVIQJWDI-UHFFFAOYSA-N 0 3 308.425 3.734 50 0 DHAAHN COc1ccc([C@H]2CCCN2CC2CCC(=O)CC2)c(OC)c1 ZINC000253427819 563613685 /nfs/dbraw/zinc/61/36/85/563613685.db2.gz HAOQESUIAYUSIO-GOSISDBHSA-N 0 3 317.429 3.600 50 0 DHAAHN Fc1ccc2c(c1)[C@H](NCc1cccc3cnccc31)CCO2 ZINC000189584809 563640201 /nfs/dbraw/zinc/64/02/01/563640201.db2.gz PXAUBGGVZMCNLM-GOSISDBHSA-N 0 3 308.356 3.987 50 0 DHAAHN Cc1cccc(NC(=O)N2CCC(N3CC=CC3)CC2)c1Cl ZINC000102316980 563659155 /nfs/dbraw/zinc/65/91/55/563659155.db2.gz BGQPHKSYOZJYPI-UHFFFAOYSA-N 0 3 319.836 3.517 50 0 DHAAHN CCn1cnnc1[C@@H]1CCCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000107495462 563683940 /nfs/dbraw/zinc/68/39/40/563683940.db2.gz WJDABNWSGRIIQQ-UKRRQHHQSA-N 0 3 318.852 3.892 50 0 DHAAHN C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@H](C)c1cncc(F)c1 ZINC000108487729 563688776 /nfs/dbraw/zinc/68/87/76/563688776.db2.gz XQELPOJZVOKLSL-QFSBIZTOSA-N 0 3 306.356 3.523 50 0 DHAAHN c1cc([C@H]2CCCN2CCOCCOc2ccccc2)cs1 ZINC000048249152 563694356 /nfs/dbraw/zinc/69/43/56/563694356.db2.gz ZYUAEPUCSBZUAR-GOSISDBHSA-N 0 3 317.454 3.981 50 0 DHAAHN C[C@@H](NCC(=O)N(C)Cc1ccco1)c1ccc2ccccc2c1 ZINC000049581182 563702482 /nfs/dbraw/zinc/70/24/82/563702482.db2.gz WZIIWJXIRRIQAP-OAHLLOKOSA-N 0 3 322.408 3.742 50 0 DHAAHN c1cc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000215327692 563705779 /nfs/dbraw/zinc/70/57/79/563705779.db2.gz WERMOKIARRFYKK-HNNXBMFYSA-N 0 3 324.453 3.913 50 0 DHAAHN c1cc(-c2ccccc2)sc1C[N@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000215327692 563705781 /nfs/dbraw/zinc/70/57/81/563705781.db2.gz WERMOKIARRFYKK-HNNXBMFYSA-N 0 3 324.453 3.913 50 0 DHAAHN C[C@H](SCCN(C)C)c1nnc(-c2cccc(F)c2)s1 ZINC000241644279 563777542 /nfs/dbraw/zinc/77/75/42/563777542.db2.gz PPRFYQMFMPYVFU-JTQLQIEISA-N 0 3 311.451 3.700 50 0 DHAAHN Cc1cccc2nc([C@@H]3CCCN(Cc4nccs4)C3)[nH]c21 ZINC000244852951 563780093 /nfs/dbraw/zinc/78/00/93/563780093.db2.gz VCOBSLSXWZNVNV-CYBMUJFWSA-N 0 3 312.442 3.707 50 0 DHAAHN COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000012676659 563809323 /nfs/dbraw/zinc/80/93/23/563809323.db2.gz VTEDKHOLAQXKLU-AUUYWEPGSA-N 0 3 324.424 3.763 50 0 DHAAHN Cc1ccc2[nH]c([C@H]3CCCN([C@@H](C)c4cnccn4)C3)nc2c1 ZINC000184701770 563820654 /nfs/dbraw/zinc/82/06/54/563820654.db2.gz KBESNSDOKGJHPN-GJZGRUSLSA-N 0 3 321.428 3.602 50 0 DHAAHN Cc1ccc2nc([C@H]3CCCN([C@@H](C)c4cnccn4)C3)[nH]c2c1 ZINC000184701770 563820655 /nfs/dbraw/zinc/82/06/55/563820655.db2.gz KBESNSDOKGJHPN-GJZGRUSLSA-N 0 3 321.428 3.602 50 0 DHAAHN C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000012776895 563829764 /nfs/dbraw/zinc/82/97/64/563829764.db2.gz CICJVJJVVVOJLE-BZNIZROVSA-N 0 3 316.351 3.569 50 0 DHAAHN CCN(Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CCCC1 ZINC000084774807 563831235 /nfs/dbraw/zinc/83/12/35/563831235.db2.gz YIDDMFIOMJKUMS-UHFFFAOYSA-N 0 3 311.385 3.846 50 0 DHAAHN O[C@@H](COc1ccc(C2CCCCC2)cc1)CN1CCCCC1 ZINC000001470097 563838292 /nfs/dbraw/zinc/83/82/92/563838292.db2.gz OLCNTOSCOMSZAV-LJQANCHMSA-N 0 3 317.473 3.960 50 0 DHAAHN CN(C)CCN(C(=O)Nc1ccccc1F)C1CCCCC1 ZINC000075110581 563860447 /nfs/dbraw/zinc/86/04/47/563860447.db2.gz VXHDFIIPHNFMIM-UHFFFAOYSA-N 0 3 307.413 3.554 50 0 DHAAHN C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1ccccc1 ZINC000239302927 563879742 /nfs/dbraw/zinc/87/97/42/563879742.db2.gz FUQHGKVGEAGGGG-OAGGEKHMSA-N 0 3 308.425 3.704 50 0 DHAAHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000241707028 563880836 /nfs/dbraw/zinc/88/08/36/563880836.db2.gz QMCFYAZVLOMJEV-CKFHNAJUSA-N 0 3 324.424 3.860 50 0 DHAAHN CC(C)CN(Cc1ccsc1)C[C@@H](O)COc1ccccc1 ZINC000036099193 563893724 /nfs/dbraw/zinc/89/37/24/563893724.db2.gz SCDBDLUOOGFMNO-QGZVFWFLSA-N 0 3 319.470 3.646 50 0 DHAAHN Cc1cccc(C)c1NC(=S)NC[C@H](C)N1CCCC[C@@H]1C ZINC000036847522 563904660 /nfs/dbraw/zinc/90/46/60/563904660.db2.gz DUDCZGJOECMPLN-HOTGVXAUSA-N 0 3 319.518 3.853 50 0 DHAAHN CC(C)[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccccc1 ZINC000089801779 563911575 /nfs/dbraw/zinc/91/15/75/563911575.db2.gz PCAIFJUIJXCDFA-FQEVSTJZSA-N 0 3 320.440 3.813 50 0 DHAAHN C[C@@H](c1ccncc1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000076059617 563912235 /nfs/dbraw/zinc/91/22/35/563912235.db2.gz QZKKPRVLOMBTET-AAEUAGOBSA-N 0 3 324.350 3.764 50 0 DHAAHN Cc1ccc([C@H](C)NC(=O)CN(C)[C@@H](C)C(C)(C)C)cc1C ZINC000027134467 563913909 /nfs/dbraw/zinc/91/39/09/563913909.db2.gz NXNUNTBCTJCGTI-HOTGVXAUSA-N 0 3 304.478 3.847 50 0 DHAAHN CCN1CCC[C@H]1CNC(=O)c1ccccc1Oc1ccccc1 ZINC000007737655 563918614 /nfs/dbraw/zinc/91/86/14/563918614.db2.gz SHNVVTVMFKEPPL-INIZCTEOSA-N 0 3 324.424 3.693 50 0 DHAAHN O=C(NCc1ccoc1)Nc1cccc(CN2CCCCC2)c1 ZINC000047852366 563923955 /nfs/dbraw/zinc/92/39/55/563923955.db2.gz LQIHLMRFWVTHHR-UHFFFAOYSA-N 0 3 313.401 3.587 50 0 DHAAHN CC[C@@H](NC1CCN(c2ccccc2F)CC1)c1nc(C)c[nH]1 ZINC000584889361 563925575 /nfs/dbraw/zinc/92/55/75/563925575.db2.gz JKLDNYWGACNIIU-MRXNPFEDSA-N 0 3 316.424 3.567 50 0 DHAAHN CC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCCC4)CC1 ZINC000002439121 563928646 /nfs/dbraw/zinc/92/86/46/563928646.db2.gz PJXCYAXLHCQAPZ-UHFFFAOYSA-N 0 3 311.425 3.904 50 0 biogenic DHAAHN CNCc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000095971500 563933465 /nfs/dbraw/zinc/93/34/65/563933465.db2.gz GJVIRSGHYCISFZ-CVEARBPZSA-N 0 3 314.816 3.802 50 0 DHAAHN CCc1ccsc1CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000096479225 563937474 /nfs/dbraw/zinc/93/74/74/563937474.db2.gz XXFCVBOWKNWSQX-ODXCJYRJSA-N 0 3 307.484 3.899 50 0 DHAAHN CC[C@H](NC1CCN(Cc2ccco2)CC1)c1cccc(C)n1 ZINC000670434633 563943333 /nfs/dbraw/zinc/94/33/33/563943333.db2.gz BCICNQWGVJVRLI-SFHVURJKSA-N 0 3 313.445 3.688 50 0 DHAAHN COc1cccc(NC(=O)[C@@H](NC2CCCC2)c2ccccc2)c1 ZINC000003386159 563943929 /nfs/dbraw/zinc/94/39/29/563943929.db2.gz IDMZMCJIJIJDQE-IBGZPJMESA-N 0 3 324.424 3.907 50 0 DHAAHN C[C@H](c1ccncc1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229314043 563945190 /nfs/dbraw/zinc/94/51/90/563945190.db2.gz QZKKPRVLOMBTET-DGCLKSJQSA-N 0 3 324.350 3.764 50 0 DHAAHN CCN1CCC[C@H](c2nc(C3CC3)nn2CCc2ccccc2)C1 ZINC000670467776 563946789 /nfs/dbraw/zinc/94/67/89/563946789.db2.gz RMFBVJJUMXZNEB-SFHVURJKSA-N 0 3 324.472 3.598 50 0 DHAAHN CC(=O)Nc1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000008328275 563948016 /nfs/dbraw/zinc/94/80/16/563948016.db2.gz OSOBRUNZSHORGS-KRWDZBQOSA-N 0 3 312.438 3.972 50 0 DHAAHN C[C@H]([C@H](C)NCc1cnc(-c2ccccc2)s1)n1cccn1 ZINC000069418065 563952780 /nfs/dbraw/zinc/95/27/80/563952780.db2.gz ZLZVEJZFASRVEB-UONOGXRCSA-N 0 3 312.442 3.746 50 0 DHAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2cc(F)cc3cccnc32)c1 ZINC000069570753 563953543 /nfs/dbraw/zinc/95/35/43/563953543.db2.gz QTBNBDHRUMGYAG-KBPBESRZSA-N 0 3 312.392 3.618 50 0 DHAAHN CN1CCC(Nc2ccccc2NC(=O)c2ccsc2)CC1 ZINC000069774371 563954525 /nfs/dbraw/zinc/95/45/25/563954525.db2.gz JTVCSHQGFYPTHW-UHFFFAOYSA-N 0 3 315.442 3.507 50 0 DHAAHN COc1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000071831367 563959046 /nfs/dbraw/zinc/95/90/46/563959046.db2.gz WEFCMMMGVBFCMX-HNNXBMFYSA-N 0 3 324.424 3.673 50 0 DHAAHN O[C@@H]1C[C@H](c2ccccc2)N(Cc2cccc3cccnc32)C1 ZINC000411920388 563962022 /nfs/dbraw/zinc/96/20/22/563962022.db2.gz CELAEBXJLGSYET-RTBURBONSA-N 0 3 304.393 3.543 50 0 DHAAHN Cc1noc(C)c1CN1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000107589782 568415357 /nfs/dbraw/zinc/41/53/57/568415357.db2.gz UKFCSWBTBKAHNL-DOTOQJQBSA-N 0 3 318.417 3.753 50 0 DHAAHN O=C(Nc1cccc(CNCc2ccccc2)c1)c1ccncc1 ZINC000055171861 568421906 /nfs/dbraw/zinc/42/19/06/568421906.db2.gz OYINOQZZEMFZMD-UHFFFAOYSA-N 0 3 317.392 3.624 50 0 DHAAHN C[C@@H](NCc1ccc(Sc2nncn2C)o1)C1=CCCCC1 ZINC000952980326 1032680028 /nfs/dbraw/zinc/68/00/28/1032680028.db2.gz ZGAMWUCXNRHTPT-GFCCVEGCSA-N 0 3 318.446 3.538 50 0 DHAAHN OC[C@]1(CCCc2ccccc2)CCCN(Cc2ccncc2)C1 ZINC000012297529 1020035401 /nfs/dbraw/zinc/03/54/01/1020035401.db2.gz CCIBJXNQIPMCQK-OAQYLSRUSA-N 0 3 324.468 3.679 50 0 DHAAHN Cc1cncc(CNCC2=Cc3cc(Cl)ccc3OC2)c1 ZINC000123126216 1025016042 /nfs/dbraw/zinc/01/60/42/1025016042.db2.gz YULFZPCDKKZACS-UHFFFAOYSA-N 0 3 300.789 3.609 50 0 DHAAHN Cc1cccc2nc(C3CC[NH+](Cc4ncccc4[O-])CC3)oc21 ZINC000585084553 1029661491 /nfs/dbraw/zinc/66/14/91/1029661491.db2.gz ULIWBWGRLUUZPU-UHFFFAOYSA-N 0 3 323.396 3.616 50 0 DHAAHN Cc1cc(F)ccc1-c1ccc(CN(C)C[C@@H](O)C2CC2)o1 ZINC000809751455 1033666085 /nfs/dbraw/zinc/66/60/85/1033666085.db2.gz HWSULORIMGRSQV-QGZVFWFLSA-N 0 3 303.377 3.597 50 0 DHAAHN Cc1cc(C)n2c(CN[C@H](C)c3cccc(Cl)c3)cnc2n1 ZINC000078998799 185144068 /nfs/dbraw/zinc/14/40/68/185144068.db2.gz VWECVNIRQXOJJD-CYBMUJFWSA-N 0 3 314.820 3.850 50 0 DHAAHN CC(C)C[C@H]1CCCCCN1Cc1nnc(C2CCC2)n1C ZINC000181371584 199287297 /nfs/dbraw/zinc/28/72/97/199287297.db2.gz XBDHQSHURZDLTG-MRXNPFEDSA-N 0 3 304.482 3.873 50 0 DHAAHN c1cc2c(s1)CCC[C@H]2NCc1ccc(Cn2cncn2)cc1 ZINC000095419767 185360185 /nfs/dbraw/zinc/36/01/85/185360185.db2.gz DQCIZZWITCJFQV-QGZVFWFLSA-N 0 3 324.453 3.555 50 0 DHAAHN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccc([S@](C)=O)cc1 ZINC000095421143 185360306 /nfs/dbraw/zinc/36/03/06/185360306.db2.gz BBRREWZPCAPMSZ-IUIBJCPJSA-N 0 3 317.429 3.901 50 0 DHAAHN Cc1ccc(-c2nc(CCN[C@H](C)c3cnccn3)cs2)cc1 ZINC000095421682 185360737 /nfs/dbraw/zinc/36/07/37/185360737.db2.gz UWHBVMKDLUESQQ-CQSZACIVSA-N 0 3 324.453 3.802 50 0 DHAAHN Cc1c(CN[C@@H]2CCCc3ccc(OC(C)C)cc32)cnn1C ZINC000095440176 185366098 /nfs/dbraw/zinc/36/60/98/185366098.db2.gz GPAWHYWNWJMJTE-LJQANCHMSA-N 0 3 313.445 3.683 50 0 DHAAHN Clc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1Cl ZINC000095459517 185370704 /nfs/dbraw/zinc/37/07/04/185370704.db2.gz WPYXOBZUBNQDCK-LBPRGKRZSA-N 0 3 316.228 3.769 50 0 DHAAHN Cc1noc(CN2CCC[C@H]2Cc2cccc3ccccc32)n1 ZINC000071845378 191031117 /nfs/dbraw/zinc/03/11/17/191031117.db2.gz ZSWPVJVOWQAUAS-KRWDZBQOSA-N 0 3 307.397 3.738 50 0 DHAAHN Fc1cccc(CN2CCCN(Cc3cccc(F)c3)CC2)c1 ZINC000072202849 191076667 /nfs/dbraw/zinc/07/66/67/191076667.db2.gz FMFCARIAIOFCPR-UHFFFAOYSA-N 0 3 316.395 3.673 50 0 DHAAHN CN(Cc1ccc(CCC(C)(C)O)cc1)Cc1cccc(O)c1 ZINC000072440822 191167646 /nfs/dbraw/zinc/16/76/46/191167646.db2.gz DILSORCZSWPKKE-UHFFFAOYSA-N 0 3 313.441 3.728 50 0 DHAAHN O[C@@H](CCc1ccccc1)C1CCN(Cc2ccsc2)CC1 ZINC000072468333 191175340 /nfs/dbraw/zinc/17/53/40/191175340.db2.gz JDWANCVGTUEVNJ-IBGZPJMESA-N 0 3 315.482 3.954 50 0 DHAAHN CCN(CC)CCN(C(C)=O)c1nc2c(ccc(C)c2C)s1 ZINC000004359491 181101804 /nfs/dbraw/zinc/10/18/04/181101804.db2.gz SXKZQZHAJAWPJP-UHFFFAOYSA-N 0 3 319.474 3.608 50 0 DHAAHN COc1cc(CNC2CC2)cc(Cl)c1OCc1cccnc1 ZINC000004999726 181187960 /nfs/dbraw/zinc/18/79/60/181187960.db2.gz OCQMLXJHFOWDMT-UHFFFAOYSA-N 0 3 318.804 3.575 50 0 DHAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1F ZINC000005417963 181241235 /nfs/dbraw/zinc/24/12/35/181241235.db2.gz DRHCPEMGRJKTQJ-LPHOPBHVSA-N 0 3 324.399 3.582 50 0 DHAAHN COc1ccc(C(=O)Oc2ccc(Cl)cc2C)cc1OC ZINC000005462630 181246489 /nfs/dbraw/zinc/24/64/89/181246489.db2.gz HWBIWYKHAMWRJP-UHFFFAOYSA-N 0 3 306.745 3.885 50 0 DHAAHN C[C@@H](NCc1ccc2c(c1)COC(C)(C)O2)c1cccc(O)c1 ZINC000187337072 200097364 /nfs/dbraw/zinc/09/73/64/200097364.db2.gz IRTUKLKZJMNHIV-CYBMUJFWSA-N 0 3 313.397 3.888 50 0 DHAAHN COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC1CCCCC1 ZINC000006284959 181326385 /nfs/dbraw/zinc/32/63/85/181326385.db2.gz KUCXLTVQCVLNGY-LLVKDONJSA-N 0 3 310.825 3.598 50 0 DHAAHN Cc1ccc2[nH]c(CN[C@H](c3ccccn3)C(C)C)cc(=O)c2c1 ZINC000091595584 193077606 /nfs/dbraw/zinc/07/76/06/193077606.db2.gz QQPCABZYJIZJSF-FQEVSTJZSA-N 0 3 321.424 3.718 50 0 DHAAHN COC[C@H]1CCCN(Cc2cnc(-c3ccsc3)s2)C1 ZINC000093337739 193235437 /nfs/dbraw/zinc/23/54/37/193235437.db2.gz NFSXFIMJOOWEEU-LBPRGKRZSA-N 0 3 308.472 3.730 50 0 DHAAHN C[C@H](c1cccc(Br)c1)N1CCN2CCCC[C@@H]2C1 ZINC000094432241 193369728 /nfs/dbraw/zinc/36/97/28/193369728.db2.gz XUBABOMOGAUIIY-CZUORRHYSA-N 0 3 323.278 3.680 50 0 DHAAHN CCC(C)(C)NCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000012792527 181798377 /nfs/dbraw/zinc/79/83/77/181798377.db2.gz HLXGNKNNLDQLEB-UHFFFAOYSA-N 0 3 324.424 3.634 50 0 DHAAHN COc1ccc(OC)c(CNCCc2ccc(Cl)cc2)c1 ZINC000019720926 182138198 /nfs/dbraw/zinc/13/81/98/182138198.db2.gz OQTNPYZEYWWQLA-UHFFFAOYSA-N 0 3 305.805 3.690 50 0 DHAAHN C[C@H](CCc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000019636509 182134367 /nfs/dbraw/zinc/13/43/67/182134367.db2.gz IUZWDIZPXUMNAD-LJQANCHMSA-N 0 3 308.469 3.826 50 0 DHAAHN Brc1cccc(CN2CCN(C3CCCC3)CC2)c1 ZINC000019788246 182148182 /nfs/dbraw/zinc/14/81/82/182148182.db2.gz NGACLMSRVDSYDK-UHFFFAOYSA-N 0 3 323.278 3.509 50 0 DHAAHN Clc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000019809279 182152664 /nfs/dbraw/zinc/15/26/64/182152664.db2.gz DFEKGEVTPASXGK-INIZCTEOSA-N 0 3 304.865 3.814 50 0 DHAAHN CCN1CCN(CCCOc2ccccc2-c2ccccc2)CC1 ZINC000020406300 182214956 /nfs/dbraw/zinc/21/49/56/182214956.db2.gz SESBBJCQFFBCAQ-UHFFFAOYSA-N 0 3 324.468 3.760 50 0 DHAAHN Clc1cccc(-c2ccc(CN[C@H]3CN4CCC3CC4)o2)c1 ZINC000020477293 182221547 /nfs/dbraw/zinc/22/15/47/182221547.db2.gz QJJSFJPIINFRGM-KRWDZBQOSA-N 0 3 316.832 3.784 50 0 DHAAHN CSc1ccc([C@@H](CN)N2CCc3sccc3C2)cc1 ZINC000020523749 182227220 /nfs/dbraw/zinc/22/72/20/182227220.db2.gz IZKMCDVXIMYVKG-OAHLLOKOSA-N 0 3 304.484 3.528 50 0 DHAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccccc1 ZINC000021835784 182294320 /nfs/dbraw/zinc/29/43/20/182294320.db2.gz DELKOEVEBHZOAH-OAHLLOKOSA-N 0 3 315.442 3.707 50 0 DHAAHN CCc1ccc([C@H](CNC(=O)c2sccc2C)N(C)C)cc1 ZINC000022683930 182330331 /nfs/dbraw/zinc/33/03/31/182330331.db2.gz ONOFMJAWCGZEMH-INIZCTEOSA-N 0 3 316.470 3.652 50 0 DHAAHN O=C(Cc1cccs1)Nc1ccccc1CN1CCCC1 ZINC000040090876 183033281 /nfs/dbraw/zinc/03/32/81/183033281.db2.gz JASQLNLOUUIQON-UHFFFAOYSA-N 0 3 300.427 3.525 50 0 DHAAHN OCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000040743652 183128268 /nfs/dbraw/zinc/12/82/68/183128268.db2.gz MXFFAAIVVIIIFL-UHFFFAOYSA-N 0 3 300.185 3.725 50 0 DHAAHN C[C@H](CNC(=O)Nc1ccccc1Cl)N1CCC[C@@H](C)C1 ZINC000105673401 194118595 /nfs/dbraw/zinc/11/85/95/194118595.db2.gz NUMRBBIMQWTPNK-CHWSQXEVSA-N 0 3 309.841 3.582 50 0 DHAAHN Cc1ccccc1CN1CCCN(CCOc2ccccc2)CC1 ZINC000058773544 184129046 /nfs/dbraw/zinc/12/90/46/184129046.db2.gz MBZDWWDFLUYGJS-UHFFFAOYSA-N 0 3 324.468 3.582 50 0 DHAAHN CCC(CC)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000058407172 184114290 /nfs/dbraw/zinc/11/42/90/184114290.db2.gz RUAMOLDZCOBHEG-AWEZNQCLSA-N 0 3 308.491 3.513 50 0 DHAAHN O=C(N[C@H]1C[C@H]1c1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000062300689 184228968 /nfs/dbraw/zinc/22/89/68/184228968.db2.gz OZBILATVXWOPSI-PMACEKPBSA-N 0 3 320.436 3.568 50 0 DHAAHN Cc1ccc([C@H](CNc2nccc(C(F)(F)F)n2)N(C)C)cc1 ZINC000064114170 184292799 /nfs/dbraw/zinc/29/27/99/184292799.db2.gz BTBKHXMRTMSIRZ-ZDUSSCGKSA-N 0 3 324.350 3.519 50 0 DHAAHN Cn1ccc2cc(CNCc3ccc4c(ccn4C)c3)ccc21 ZINC000065336805 184324851 /nfs/dbraw/zinc/32/48/51/184324851.db2.gz GHHYNBFYSXFDGQ-UHFFFAOYSA-N 0 3 303.409 3.960 50 0 DHAAHN O=C(CCC1CCCC1)NCC1=CCCN([C@H]2C=CCCC2)C1 ZINC000065488243 184353225 /nfs/dbraw/zinc/35/32/25/184353225.db2.gz XWZVPHCHLNPISD-IBGZPJMESA-N 0 3 316.489 3.814 50 0 DHAAHN CC[S@](=O)[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1F ZINC000241739108 256604016 /nfs/dbraw/zinc/60/40/16/256604016.db2.gz RACIXPNHACUEFU-SIFCLUCFSA-N 0 3 317.857 3.649 50 0 DHAAHN COc1ccccc1-c1ccc(-c2ccc(CN(C)C)cc2)nn1 ZINC000216514544 257273414 /nfs/dbraw/zinc/27/34/14/257273414.db2.gz MXRQUVNXVANSEF-UHFFFAOYSA-N 0 3 319.408 3.881 50 0 DHAAHN CN1CC[C@@H](NC(=O)c2ccc(-c3ccc4occc4c3)cc2)C1 ZINC000426715847 257243815 /nfs/dbraw/zinc/24/38/15/257243815.db2.gz IXYMJTRAFAYFCR-GOSISDBHSA-N 0 3 320.392 3.534 50 0 DHAAHN Cc1ccc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1C ZINC000048325689 563696254 /nfs/dbraw/zinc/69/62/54/563696254.db2.gz JJDTVWSSVQVCEN-HOTGVXAUSA-N 0 3 303.450 3.688 50 0 DHAAHN CC(C)(CO)NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000000359881 563244416 /nfs/dbraw/zinc/24/44/16/563244416.db2.gz JJZARGKWFQJFEY-UHFFFAOYSA-N 0 3 319.832 3.780 50 0 DHAAHN COc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 ZINC000000556309 563266028 /nfs/dbraw/zinc/26/60/28/563266028.db2.gz IYGYGFXIJSVXJC-UHFFFAOYSA-N 0 3 324.424 3.933 50 0 DHAAHN CCOCCCNCc1ccccc1OCc1ccc(F)cc1 ZINC000002178115 563301357 /nfs/dbraw/zinc/30/13/57/563301357.db2.gz SETLDGSQMRBZAL-UHFFFAOYSA-N 0 3 317.404 3.921 50 0 DHAAHN COc1ccc(C(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000002514495 563304987 /nfs/dbraw/zinc/30/49/87/563304987.db2.gz BMSCCUUZRKGVBX-UHFFFAOYSA-N 0 3 309.409 3.912 50 0 DHAAHN COc1cccc(C(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000002514494 563305374 /nfs/dbraw/zinc/30/53/74/563305374.db2.gz CKCGOLNRBBRDOO-UHFFFAOYSA-N 0 3 309.409 3.912 50 0 DHAAHN O=C(Nc1cccc(CN[C@H]2CCCSC2)c1)c1ccco1 ZINC000097370893 563336609 /nfs/dbraw/zinc/33/66/09/563336609.db2.gz TWLWEVPJAXPAEZ-HNNXBMFYSA-N 0 3 316.426 3.517 50 0 DHAAHN Cc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010338983 563356128 /nfs/dbraw/zinc/35/61/28/563356128.db2.gz YZVUGXKUPHELSM-UHFFFAOYSA-N 0 3 322.452 3.911 50 0 DHAAHN C[C@H](NC(=O)CN1CCCC[C@H]1C)c1cccc2ccccc21 ZINC000032753292 563390766 /nfs/dbraw/zinc/39/07/66/563390766.db2.gz JPHNFGDUMGHUFQ-CVEARBPZSA-N 0 3 310.441 3.891 50 0 DHAAHN c1ccc(CCC[C@H]2CN(C3CCSCC3)CCO2)cc1 ZINC000014960338 563404602 /nfs/dbraw/zinc/40/46/02/563404602.db2.gz HEUJGRSINBIVDW-SFHVURJKSA-N 0 3 305.487 3.606 50 0 DHAAHN Cn1cc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 ZINC000014981258 563404863 /nfs/dbraw/zinc/40/48/63/563404863.db2.gz UDZBNUCESCELSC-CQSZACIVSA-N 0 3 319.399 3.543 50 0 DHAAHN Fc1ccc(CC[C@@H]2CCCN(Cc3cnc[nH]3)C2)c(F)c1 ZINC000015072485 563406935 /nfs/dbraw/zinc/40/69/35/563406935.db2.gz WGHPBRKOKWRHRE-ZDUSSCGKSA-N 0 3 305.372 3.533 50 0 DHAAHN COc1cccc(-c2ccc(CNC[C@H](O)c3ccccc3)o2)c1 ZINC000015356868 563409602 /nfs/dbraw/zinc/40/96/02/563409602.db2.gz NGZWKWHCXZBCJL-IBGZPJMESA-N 0 3 323.392 3.778 50 0 DHAAHN CCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1Cl ZINC000020177132 563416612 /nfs/dbraw/zinc/41/66/12/563416612.db2.gz NPDWDTUSCZVFMZ-MRXNPFEDSA-N 0 3 305.805 3.562 50 0 DHAAHN COc1ccc(-c2nnc([C@H](C)N3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000025507892 563423754 /nfs/dbraw/zinc/42/37/54/563423754.db2.gz QCBYCAKLDSMCBZ-MJBXVCDLSA-N 0 3 315.417 3.784 50 0 DHAAHN Cc1ccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)o1 ZINC000019865237 563449031 /nfs/dbraw/zinc/44/90/31/563449031.db2.gz WHRQTXZZHPNSPT-UHFFFAOYSA-N 0 3 318.461 3.639 50 0 DHAAHN CC(C)(C)NCc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000035287299 563452787 /nfs/dbraw/zinc/45/27/87/563452787.db2.gz SFQFTLNSMRJAGX-UHFFFAOYSA-N 0 3 320.440 3.882 50 0 DHAAHN O=C(NC1CCN(Cc2ccccc2)CC1)OCc1ccccc1 ZINC000035636476 563454184 /nfs/dbraw/zinc/45/41/84/563454184.db2.gz VZHJWMOVSNSVSX-UHFFFAOYSA-N 0 3 324.424 3.577 50 0 in-vitro DHAAHN Clc1ccc(CNCCCOc2ccccn2)c(Cl)c1 ZINC000035684103 563454201 /nfs/dbraw/zinc/45/42/01/563454201.db2.gz DUXOLPZCTJRIKY-UHFFFAOYSA-N 0 3 311.212 3.947 50 0 DHAAHN CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@H]1OC[C@@H](CN2CCCCC2)O1 ZINC000013656096 563468381 /nfs/dbraw/zinc/46/83/81/563468381.db2.gz IUQYLYYXKZJRJM-TZNCUMHOSA-N 0 3 307.478 3.676 50 0 DHAAHN Cc1cc(C)c(CN2CCC[C@H]2c2ccccn2)c(C)c1CO ZINC000055245279 563472643 /nfs/dbraw/zinc/47/26/43/563472643.db2.gz YVCIOGQAIDYMNC-FQEVSTJZSA-N 0 3 310.441 3.836 50 0 DHAAHN Cc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000055543157 563476397 /nfs/dbraw/zinc/47/63/97/563476397.db2.gz XZZXSRGKCHGVAR-UHFFFAOYSA-N 0 3 300.833 3.971 50 0 DHAAHN CC(C)Cc1ccc(CN2CCC(N3CCCC3=O)CC2)s1 ZINC000071422317 563499884 /nfs/dbraw/zinc/49/98/84/563499884.db2.gz AHLRHOOSEQOJDP-UHFFFAOYSA-N 0 3 320.502 3.533 50 0 DHAAHN Cc1c(CN2CCC[C@H](CCc3ccc(F)cc3)C2)cnn1C ZINC000071761494 563500543 /nfs/dbraw/zinc/50/05/43/563500543.db2.gz NOYKWIRDJQYZGZ-QGZVFWFLSA-N 0 3 315.436 3.712 50 0 DHAAHN Cc1c(CN2CCC[C@@H](CCc3ccc(F)cc3)C2)cnn1C ZINC000071761495 563500700 /nfs/dbraw/zinc/50/07/00/563500700.db2.gz NOYKWIRDJQYZGZ-KRWDZBQOSA-N 0 3 315.436 3.712 50 0 DHAAHN CC(C)CC[C@@H]1CCC[C@H]1N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000097105407 563505591 /nfs/dbraw/zinc/50/55/91/563505591.db2.gz SNCPXSYICPIVIM-XKQJLSEDSA-N 0 3 306.425 3.547 50 0 DHAAHN Cc1cc(Cl)ccc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000077407873 563510063 /nfs/dbraw/zinc/51/00/63/563510063.db2.gz XJUQXAWHGCLCGR-UHFFFAOYSA-N 0 3 320.864 3.739 50 0 DHAAHN COCCC[C@@H]1CCCN(Cc2cc3cc(F)ccc3n2C)C1 ZINC000077460015 563511253 /nfs/dbraw/zinc/51/12/53/563511253.db2.gz DBIYYNAMCIPKTQ-HNNXBMFYSA-N 0 3 318.436 3.956 50 0 DHAAHN N=C(SC(c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000011252639 563514406 /nfs/dbraw/zinc/51/44/06/563514406.db2.gz TYRMFDQJUGKMSV-UHFFFAOYSA-N 0 3 312.438 3.776 50 0 DHAAHN CCCCOCCN(CCOCCCC)CCOCCCC ZINC000096180960 563535697 /nfs/dbraw/zinc/53/56/97/563535697.db2.gz MKIXXGAFSXWETQ-UHFFFAOYSA-N 0 3 317.514 3.739 50 0 DHAAHN COc1cc(-c2ccc(CN3CCCCC3)cn2)c(Cl)cn1 ZINC000097347582 563538841 /nfs/dbraw/zinc/53/88/41/563538841.db2.gz ZRJRLPMJLIGTLX-UHFFFAOYSA-N 0 3 317.820 3.792 50 0 DHAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccccc1 ZINC000000323163 563587952 /nfs/dbraw/zinc/58/79/52/563587952.db2.gz QMVOVIVYPUFDEL-IEBWSBKVSA-N 0 3 321.424 3.835 50 0 biogenic DHAAHN COc1ccc(C(=O)[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000000346096 563589364 /nfs/dbraw/zinc/58/93/64/563589364.db2.gz AUKJZULEGLNIQI-LJQANCHMSA-N 0 3 309.409 3.758 50 0 DHAAHN C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1 ZINC000102519740 563660173 /nfs/dbraw/zinc/66/01/73/563660173.db2.gz FUQHGKVGEAGGGG-XHSDSOJGSA-N 0 3 308.425 3.704 50 0 DHAAHN O[C@H](C[C@H]1CCCCCN1Cc1cccnc1)c1ccco1 ZINC000108105076 563686593 /nfs/dbraw/zinc/68/65/93/563686593.db2.gz XCEGMYDVNHNARH-IAGOWNOFSA-N 0 3 300.402 3.543 50 0 DHAAHN CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000047827919 563692342 /nfs/dbraw/zinc/69/23/42/563692342.db2.gz LHQXAAFSTVMNEA-AWEZNQCLSA-N 0 3 324.424 3.821 50 0 DHAAHN c1cc([C@@H]2CCCN2CCOCCOc2ccccc2)cs1 ZINC000048249157 563694193 /nfs/dbraw/zinc/69/41/93/563694193.db2.gz ZYUAEPUCSBZUAR-SFHVURJKSA-N 0 3 317.454 3.981 50 0 DHAAHN C[C@H](c1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 ZINC000049484665 563701739 /nfs/dbraw/zinc/70/17/39/563701739.db2.gz XWOMNKOTZUTOSR-GFCCVEGCSA-N 0 3 311.410 3.959 50 0 DHAAHN Cc1n[nH]c(C)c1CCN(C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000215135837 563704161 /nfs/dbraw/zinc/70/41/61/563704161.db2.gz HNKCFRKONSQCSJ-INIZCTEOSA-N 0 3 319.474 3.614 50 0 DHAAHN C[C@H](c1cccnc1)N(C)Cc1cc(CN2CCCC2)cs1 ZINC000215552477 563706552 /nfs/dbraw/zinc/70/65/52/563706552.db2.gz NVDFIYJIRDLZMB-OAHLLOKOSA-N 0 3 315.486 3.932 50 0 DHAAHN Cc1ccc(OC(F)F)c(CNc2cc(CN(C)C)ccn2)c1 ZINC000241447103 563777411 /nfs/dbraw/zinc/77/74/11/563777411.db2.gz NREXPGOMZOBWPD-UHFFFAOYSA-N 0 3 321.371 3.665 50 0 DHAAHN CCCCN(Cc1sccc1C)Cc1cc(=O)c(OC)c[nH]1 ZINC000244691893 563779304 /nfs/dbraw/zinc/77/93/04/563779304.db2.gz JKXIIOLVNDFMSH-UHFFFAOYSA-N 0 3 320.458 3.968 50 0 DHAAHN CCOC(=O)[C@@H]1CN[C@@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000245240967 563780568 /nfs/dbraw/zinc/78/05/68/563780568.db2.gz VRGSYPCBWQRFQZ-IPMKNSEASA-N 0 3 309.409 3.684 50 0 DHAAHN CC[C@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000084734132 563830876 /nfs/dbraw/zinc/83/08/76/563830876.db2.gz BJIIIOCIGYJTQY-LRDDRELGSA-N 0 3 305.372 3.780 50 0 DHAAHN CN(CCCNC(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000012854178 563844736 /nfs/dbraw/zinc/84/47/36/563844736.db2.gz BDOYDVFEPWFTHP-UHFFFAOYSA-N 0 3 322.861 3.653 50 0 DHAAHN CO[C@H](CNCc1c[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000075093172 563859284 /nfs/dbraw/zinc/85/92/84/563859284.db2.gz GXGAQDKYZBPIHG-GOSISDBHSA-N 0 3 307.397 3.554 50 0 DHAAHN CO[C@H](CNCc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000075093172 563859286 /nfs/dbraw/zinc/85/92/86/563859286.db2.gz GXGAQDKYZBPIHG-GOSISDBHSA-N 0 3 307.397 3.554 50 0 DHAAHN Cc1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1C ZINC000241126055 563880394 /nfs/dbraw/zinc/88/03/94/563880394.db2.gz JJDTVWSSVQVCEN-HZPDHXFCSA-N 0 3 303.450 3.688 50 0 DHAAHN Cc1cccc(C)c1NC(=S)NC[C@@H](C)N1CCCC[C@H]1C ZINC000245264700 563881622 /nfs/dbraw/zinc/88/16/22/563881622.db2.gz DUDCZGJOECMPLN-HZPDHXFCSA-N 0 3 319.518 3.853 50 0 DHAAHN Cc1noc(C)c1CN1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000089529354 563890835 /nfs/dbraw/zinc/89/08/35/563890835.db2.gz UKFCSWBTBKAHNL-WBVHZDCISA-N 0 3 318.417 3.753 50 0 DHAAHN O[C@H](CN[C@H]1CCCNc2ccccc21)c1ccc(Cl)s1 ZINC000192914204 563901284 /nfs/dbraw/zinc/90/12/84/563901284.db2.gz ZHCBFOCLKKRBRN-UONOGXRCSA-N 0 3 322.861 3.972 50 0 DHAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC(C)(C)C ZINC000252512504 563916750 /nfs/dbraw/zinc/91/67/50/563916750.db2.gz RLPJXNQNQYXKHE-NVXWUHKLSA-N 0 3 300.446 3.566 50 0 DHAAHN CN(C)Cc1ccc(CNCc2ccccc2OC(F)F)cc1 ZINC000007736215 563918473 /nfs/dbraw/zinc/91/84/73/563918473.db2.gz XRXKIDPDGBZSDN-UHFFFAOYSA-N 0 3 320.383 3.639 50 0 DHAAHN O[C@@]12CCCC[C@@H]1CN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000095967050 563933027 /nfs/dbraw/zinc/93/30/27/563933027.db2.gz QMLUMZVJISHTKV-HZPDHXFCSA-N 0 3 313.363 3.832 50 0 DHAAHN Cc1noc(C)c1CN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000095977345 563933672 /nfs/dbraw/zinc/93/36/72/563933672.db2.gz YVQQKNZCUULKBI-OAHLLOKOSA-N 0 3 324.428 3.856 50 0 DHAAHN Cc1noc(C)c1CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000095977345 563933673 /nfs/dbraw/zinc/93/36/73/563933673.db2.gz YVQQKNZCUULKBI-OAHLLOKOSA-N 0 3 324.428 3.856 50 0 DHAAHN Cn1ccnc1[C@@H](NCC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000095986453 563934082 /nfs/dbraw/zinc/93/40/82/563934082.db2.gz CLQMWXQAYUMMHT-INIZCTEOSA-N 0 3 315.848 3.846 50 0 DHAAHN Cn1ccnc1[C@H](NCC1(c2cccc(Cl)c2)CC1)C1CC1 ZINC000095986452 563934240 /nfs/dbraw/zinc/93/42/40/563934240.db2.gz CLQMWXQAYUMMHT-MRXNPFEDSA-N 0 3 315.848 3.846 50 0 DHAAHN Cc1cccc(NC(=S)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000002645324 563940043 /nfs/dbraw/zinc/94/00/43/563940043.db2.gz RWKUVLRNTJXXHU-KRWDZBQOSA-N 0 3 313.470 3.584 50 0 DHAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1F ZINC000003176144 563942682 /nfs/dbraw/zinc/94/26/82/563942682.db2.gz DRHCPEMGRJKTQJ-VQIMIIECSA-N 0 3 324.399 3.582 50 0 DHAAHN Cc1c(Cl)cccc1-n1nc(C2CC2)nc1[C@H]1CCN(C)C1 ZINC000670458294 563945406 /nfs/dbraw/zinc/94/54/06/563945406.db2.gz SBKPYUOFFWPFTO-ZDUSSCGKSA-N 0 3 316.836 3.526 50 0 DHAAHN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000008307324 563947681 /nfs/dbraw/zinc/94/76/81/563947681.db2.gz CQUXPSSVNJRRNB-MBNYWOFBSA-N 0 3 308.853 3.953 50 0 DHAAHN CCCOc1ccc2[nH]c(C)c(CN(CC)CC)c(=O)c2c1 ZINC000008717128 563949902 /nfs/dbraw/zinc/94/99/02/563949902.db2.gz LAKWNLLYHXUICN-UHFFFAOYSA-N 0 3 302.418 3.879 50 0 DHAAHN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCC[C@H](C)C1 ZINC000008717522 563950174 /nfs/dbraw/zinc/95/01/74/563950174.db2.gz XCHYXSOBLQFCNN-ZDUSSCGKSA-N 0 3 313.445 3.547 50 0 DHAAHN CCCCN(C)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717512 563950292 /nfs/dbraw/zinc/95/02/92/563950292.db2.gz USTHSSQHMKBUJB-UHFFFAOYSA-N 0 3 301.434 3.547 50 0 DHAAHN COc1ccc(-c2n[nH]cc2CNCc2sccc2C)cc1 ZINC000069061257 563951604 /nfs/dbraw/zinc/95/16/04/563951604.db2.gz HSLZPCGGNUFJRH-UHFFFAOYSA-N 0 3 313.426 3.745 50 0 DHAAHN CC(C)C(=O)NC1CCN(CCc2ccc3ccccc3c2)CC1 ZINC000070040650 563955807 /nfs/dbraw/zinc/95/58/07/563955807.db2.gz KSXKCNRNCJSSQK-UHFFFAOYSA-N 0 3 324.468 3.619 50 0 DHAAHN C[C@@H](CNC(=O)Nc1ccccc1Cl)N1CCCC[C@H]1C ZINC000045951191 568415457 /nfs/dbraw/zinc/41/54/57/568415457.db2.gz ABHNPODXJCZBLA-OLZOCXBDSA-N 0 3 309.841 3.724 50 0 DHAAHN CN(C)c1ccc(CN[C@H](CC(C)(C)C)c2cccnc2)cn1 ZINC000952987036 1032683237 /nfs/dbraw/zinc/68/32/37/1032683237.db2.gz IQRLZYSJPNHPHZ-QGZVFWFLSA-N 0 3 312.461 3.810 50 0 DHAAHN CCc1cccc(CN2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000252527665 1019309560 /nfs/dbraw/zinc/30/95/60/1019309560.db2.gz DCQSDGVBVFUDTP-UHFFFAOYSA-N 0 3 322.452 3.643 50 0 DHAAHN C[C@H](NCc1ccsc1C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000529583645 1020500443 /nfs/dbraw/zinc/50/04/43/1020500443.db2.gz CBTIGYRPNARFMN-QMMMGPOBSA-N 0 3 302.321 3.718 50 0 DHAAHN COC[C@H](NCc1cccnc1Oc1cccc(F)c1)C1CC1 ZINC000154707538 1021502479 /nfs/dbraw/zinc/50/24/79/1021502479.db2.gz DYVGQQQWJISVQU-KRWDZBQOSA-N 0 3 316.376 3.528 50 0 DHAAHN C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1cccc(Cl)c1Cl ZINC000163594446 334928340 /nfs/dbraw/zinc/92/83/40/334928340.db2.gz KRUKXSXMAOSDSC-QPUJVOFHSA-N 0 3 303.233 3.544 50 0 DHAAHN O[C@@H](C[C@H]1CCCCCN1Cc1cccnc1)c1ccco1 ZINC000095413239 185358023 /nfs/dbraw/zinc/35/80/23/185358023.db2.gz XCEGMYDVNHNARH-SJORKVTESA-N 0 3 300.402 3.543 50 0 DHAAHN COc1ccccc1C1(CN[C@@H](C)c2cnccn2)CCCC1 ZINC000095420730 185360448 /nfs/dbraw/zinc/36/04/48/185360448.db2.gz OWQTWIZOADOGHD-HNNXBMFYSA-N 0 3 311.429 3.648 50 0 DHAAHN COc1cccc2c1CC[C@H]2N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000095419636 185360260 /nfs/dbraw/zinc/36/02/60/185360260.db2.gz ASNMCXODCAGPAH-BFUOFWGJSA-N 0 3 324.424 3.992 50 0 DHAAHN COc1cccc2c1CC[C@H]2N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095419635 185360268 /nfs/dbraw/zinc/36/02/68/185360268.db2.gz ASNMCXODCAGPAH-ORAYPTAESA-N 0 3 324.424 3.992 50 0 DHAAHN CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000097017261 185397431 /nfs/dbraw/zinc/39/74/31/185397431.db2.gz WPTUSCVGQBFGFQ-CVOVGHTJSA-N 0 3 315.429 3.695 50 0 DHAAHN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000067813683 190723994 /nfs/dbraw/zinc/72/39/94/190723994.db2.gz OZBILATVXWOPSI-UXHICEINSA-N 0 3 320.436 3.568 50 0 DHAAHN CC[C@@H]1CN(Cc2c(Cl)cncc2Cl)CCN1C(C)C ZINC000072133158 191044624 /nfs/dbraw/zinc/04/46/24/191044624.db2.gz QDJBRQSMDNVPSE-GFCCVEGCSA-N 0 3 316.276 3.693 50 0 DHAAHN COc1cccc(OC[C@@H]2CCCN3CCCC[C@H]23)c1C(C)=O ZINC000072170097 191068587 /nfs/dbraw/zinc/06/85/87/191068587.db2.gz YXDVXIRRYNAKIT-JKSUJKDBSA-N 0 3 317.429 3.541 50 0 DHAAHN Cc1ccc2c(c1)[C@H](NCc1cccc(N3CCC3=O)c1)CC2 ZINC000225668751 186288113 /nfs/dbraw/zinc/28/81/13/186288113.db2.gz BDGYATZGEIZUIY-LJQANCHMSA-N 0 3 306.409 3.509 50 0 DHAAHN COc1ccccc1/C=C/CN1CCC(c2ccncc2)CC1 ZINC000072427413 191161850 /nfs/dbraw/zinc/16/18/50/191161850.db2.gz TZWHHKAHZXKFAS-GQCTYLIASA-N 0 3 308.425 3.983 50 0 DHAAHN COc1ccc(CNCc2cc(C)c(OC)cc2C)cc1OC ZINC000004952828 181179153 /nfs/dbraw/zinc/17/91/53/181179153.db2.gz SEIJOPDMNDPVAA-UHFFFAOYSA-N 0 3 315.413 3.619 50 0 DHAAHN CC(C)(C)c1ccccc1OCCOCCN1CCCCC1 ZINC000004989573 181185893 /nfs/dbraw/zinc/18/58/93/181185893.db2.gz RYNHFUXHFQFPCD-UHFFFAOYSA-N 0 3 305.462 3.865 50 0 DHAAHN CCc1cccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000241383568 202463084 /nfs/dbraw/zinc/46/30/84/202463084.db2.gz MWFZTPAVPAYYIA-CQSZACIVSA-N 0 3 308.425 3.985 50 0 DHAAHN O[C@@H](COc1ccc2ccccc2c1Cl)CN1CCCCC1 ZINC000006000175 181305010 /nfs/dbraw/zinc/30/50/10/181305010.db2.gz RHMCDAJUMZVVKH-OAHLLOKOSA-N 0 3 319.832 3.719 50 0 DHAAHN Cc1ccc2[nH]c(CN[C@@H](c3ccccn3)C(C)C)cc(=O)c2c1 ZINC000091595583 193077656 /nfs/dbraw/zinc/07/76/56/193077656.db2.gz QQPCABZYJIZJSF-HXUWFJFHSA-N 0 3 321.424 3.718 50 0 DHAAHN COc1cccc([C@@H](CNc2nc3ccccc3o2)N(C)C)c1 ZINC000012774886 181796050 /nfs/dbraw/zinc/79/60/50/181796050.db2.gz BDWOYWDOAQUQSF-MRXNPFEDSA-N 0 3 311.385 3.551 50 0 DHAAHN CCn1c2ccccc2c2cc(CN3CCN(CC)CC3)ccc21 ZINC000019536562 182129218 /nfs/dbraw/zinc/12/92/18/182129218.db2.gz KUZPLZGTCFVSOM-UHFFFAOYSA-N 0 3 321.468 3.952 50 0 DHAAHN O[C@H](CNCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000019872557 182159328 /nfs/dbraw/zinc/15/93/28/182159328.db2.gz MVUURDWVSFYZHT-GOSISDBHSA-N 0 3 311.356 3.909 50 0 DHAAHN CC[C@H](C)c1ccccc1OCCCCN1CCN(C)CC1 ZINC000020118137 182188943 /nfs/dbraw/zinc/18/89/43/182188943.db2.gz MHYJGFGMYIXMLH-KRWDZBQOSA-N 0 3 304.478 3.607 50 0 DHAAHN Clc1ccc(-c2ccc(CN[C@@H]3CN4CCC3CC4)o2)cc1 ZINC000020477281 182221585 /nfs/dbraw/zinc/22/15/85/182221585.db2.gz CSURTDXXXYAHNH-QGZVFWFLSA-N 0 3 316.832 3.784 50 0 DHAAHN Cc1nn(CC(C)C)c(Cl)c1CNCCc1ccccc1 ZINC000023424870 182360840 /nfs/dbraw/zinc/36/08/40/182360840.db2.gz RPQZIPCXTKXENC-UHFFFAOYSA-N 0 3 305.853 3.833 50 0 DHAAHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000024751396 182389840 /nfs/dbraw/zinc/38/98/40/182389840.db2.gz RJAZODQKSKXXPD-UHFFFAOYSA-N 0 3 311.429 3.591 50 0 DHAAHN CCN(CC)[C@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000040007697 183027545 /nfs/dbraw/zinc/02/75/45/183027545.db2.gz LMFVHFTYVVTBIC-FUHWJXTLSA-N 0 3 300.446 3.542 50 0 DHAAHN COCCN(Cc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC000040001158 183027797 /nfs/dbraw/zinc/02/77/97/183027797.db2.gz WERNXQIMYLJWAW-UHFFFAOYSA-N 0 3 321.424 3.521 50 0 DHAAHN CC(C)c1ccc(CNC[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000040088599 183032664 /nfs/dbraw/zinc/03/26/64/183032664.db2.gz HWILNISDNPPRPU-SFHVURJKSA-N 0 3 305.368 3.911 50 0 DHAAHN O[C@H](COCc1cccs1)CN1CCC[C@@H]1c1ccsc1 ZINC000058167350 184083954 /nfs/dbraw/zinc/08/39/54/184083954.db2.gz KQJHYRJEUXJJMC-GOEBONIOSA-N 0 3 323.483 3.524 50 0 DHAAHN Cc1ccsc1CN(Cc1cccc(C(N)=O)c1)C(C)C ZINC000058136845 184080030 /nfs/dbraw/zinc/08/00/30/184080030.db2.gz KLHAZWJMPLRWDU-UHFFFAOYSA-N 0 3 302.443 3.566 50 0 DHAAHN CC(C)(C)CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000058289632 184100379 /nfs/dbraw/zinc/10/03/79/184100379.db2.gz ZQNIVUINEKKDOF-AWEZNQCLSA-N 0 3 308.491 3.513 50 0 DHAAHN CC(C)(C)N1CCCN(Cc2nc3ccccc3s2)CC1 ZINC000060211331 184145265 /nfs/dbraw/zinc/14/52/65/184145265.db2.gz YSDUITJVRYMSFZ-UHFFFAOYSA-N 0 3 303.475 3.603 50 0 DHAAHN C[C@@H](O)CNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000061011963 184159467 /nfs/dbraw/zinc/15/94/67/184159467.db2.gz FCVGEBBPOYXONE-SECBINFHSA-N 0 3 300.185 3.724 50 0 DHAAHN Cc1ccsc1CN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000065287946 184322473 /nfs/dbraw/zinc/32/24/73/184322473.db2.gz DLOKORYGRHSUPU-AWEZNQCLSA-N 0 3 304.463 3.609 50 0 DHAAHN COc1ccc(CN(C)[C@@H](C)c2c(C)nn(C)c2C)c(C)c1C ZINC000065374949 184331464 /nfs/dbraw/zinc/33/14/64/184331464.db2.gz UQFFHGOVWIKXLZ-HNNXBMFYSA-N 0 3 315.461 3.855 50 0 DHAAHN CCCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000006721904 257137673 /nfs/dbraw/zinc/13/76/73/257137673.db2.gz BGRBXELRMMVNBC-AEFFLSMTSA-N 0 3 300.446 3.710 50 0 DHAAHN COc1ccc([C@@H](C)NCc2cccnc2C)c(C)c1OC ZINC000342309222 334527519 /nfs/dbraw/zinc/52/75/19/334527519.db2.gz TVFYFHPUUNSGFN-CQSZACIVSA-N 0 3 300.402 3.566 50 0 DHAAHN COc1ccccc1N1CCN(C[C@H](C)c2ccccc2)CC1 ZINC000012383496 340674818 /nfs/dbraw/zinc/67/48/18/340674818.db2.gz GWYZUWALQDLSLF-KRWDZBQOSA-N 0 3 310.441 3.621 50 0 DHAAHN Cc1ccc(Cl)c(NC(=O)CNC2CCCC2)c1Cl ZINC000037386840 563917162 /nfs/dbraw/zinc/91/71/62/563917162.db2.gz HIIOVKAYAMEMEM-UHFFFAOYSA-N 0 3 301.217 3.773 50 0 DHAAHN O=C(CCN1CCCCCC1)c1ccc(Br)cc1 ZINC000000503357 563263595 /nfs/dbraw/zinc/26/35/95/563263595.db2.gz RWKADYAUQPUXND-UHFFFAOYSA-N 0 3 310.235 3.898 50 0 DHAAHN CC(C)c1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000002692866 563311218 /nfs/dbraw/zinc/31/12/18/563311218.db2.gz MXEAGZWZLNDZPO-APWZRJJASA-N 0 3 313.441 3.901 50 0 DHAAHN COc1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010336027 563355886 /nfs/dbraw/zinc/35/58/86/563355886.db2.gz NODVQIGFJWASSI-UHFFFAOYSA-N 0 3 324.424 3.933 50 0 DHAAHN Cc1nc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)c[nH]1 ZINC000011817074 563359987 /nfs/dbraw/zinc/35/99/87/563359987.db2.gz AWVGPOKARKRIDF-CQSZACIVSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1ncc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)[nH]1 ZINC000011817074 563359989 /nfs/dbraw/zinc/35/99/89/563359989.db2.gz AWVGPOKARKRIDF-CQSZACIVSA-N 0 3 319.399 3.841 50 0 DHAAHN CSCCCN1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000011838249 563360027 /nfs/dbraw/zinc/36/00/27/563360027.db2.gz WEFFDNPZKFHSGQ-CQSZACIVSA-N 0 3 311.878 3.988 50 0 DHAAHN CC(C)c1ccc(N[C@@H]2CCCN(Cc3cnn(C)c3)C2)cc1 ZINC000012435336 563369899 /nfs/dbraw/zinc/36/98/99/563369899.db2.gz ZXCFLHNOPYRADT-LJQANCHMSA-N 0 3 312.461 3.620 50 0 DHAAHN O=C(c1ccc2ccccc2c1)N1CCN(C2CCCCC2)CC1 ZINC000013745594 563388101 /nfs/dbraw/zinc/38/81/01/563388101.db2.gz AAJVNUHLLWIHMJ-UHFFFAOYSA-N 0 3 322.452 3.930 50 0 DHAAHN CN(C)[C@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000032755352 563391600 /nfs/dbraw/zinc/39/16/00/563391600.db2.gz GSFSTPBMDAZBRL-WOJBJXKFSA-N 0 3 322.452 3.526 50 0 DHAAHN c1ccc(CCC[C@@H]2CN(C3CCSCC3)CCO2)cc1 ZINC000014960334 563404338 /nfs/dbraw/zinc/40/43/38/563404338.db2.gz HEUJGRSINBIVDW-GOSISDBHSA-N 0 3 305.487 3.606 50 0 DHAAHN CCOC(=O)C1(CCc2ccccc2)CCN(C2CCC2)CC1 ZINC000014977973 563404741 /nfs/dbraw/zinc/40/47/41/563404741.db2.gz CRCDEYISWJFNPA-UHFFFAOYSA-N 0 3 315.457 3.817 50 0 DHAAHN CCCc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000000568119 563448371 /nfs/dbraw/zinc/44/83/71/563448371.db2.gz BHCBMINIBNBATN-LPHOPBHVSA-N 0 3 313.441 3.730 50 0 DHAAHN CC[C@H](C)N(Cc1c2ccccc2nn1C)Cc1ccncc1 ZINC000055393507 563475333 /nfs/dbraw/zinc/47/53/33/563475333.db2.gz QYUAFYSUCWWKFP-HNNXBMFYSA-N 0 3 308.429 3.769 50 0 DHAAHN CC[C@@H](C)N(Cc1c2ccccc2nn1C)Cc1ccncc1 ZINC000055393506 563475657 /nfs/dbraw/zinc/47/56/57/563475657.db2.gz QYUAFYSUCWWKFP-OAHLLOKOSA-N 0 3 308.429 3.769 50 0 DHAAHN COc1ccc2c(c1)[C@@H](NCCc1ncc(C)s1)CCCO2 ZINC000096478440 563484295 /nfs/dbraw/zinc/48/42/95/563484295.db2.gz QSCGVVQWTAMJRX-HNNXBMFYSA-N 0 3 318.442 3.506 50 0 DHAAHN CS[C@H](C)CCN(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067654139 563488709 /nfs/dbraw/zinc/48/87/09/563488709.db2.gz NUEJFWUPPAQKJV-GFCCVEGCSA-N 0 3 307.438 3.789 50 0 DHAAHN CN(C)Cc1ccc(Oc2ccc(-c3ccccc3)nn2)cc1 ZINC000067723738 563489780 /nfs/dbraw/zinc/48/97/80/563489780.db2.gz SCWARJSXRVRIED-UHFFFAOYSA-N 0 3 305.381 3.998 50 0 DHAAHN Nc1ncccc1CN1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071551694 563499930 /nfs/dbraw/zinc/49/99/30/563499930.db2.gz NERBWHXUYYEAJS-MRXNPFEDSA-N 0 3 313.420 3.648 50 0 DHAAHN CCOc1cc2c(cc1OC)[C@H](c1ccc(CC)cc1)NCC2 ZINC000000034543 563505886 /nfs/dbraw/zinc/50/58/86/563505886.db2.gz OTMQDDADWVCUJS-FQEVSTJZSA-N 0 3 311.425 3.891 50 0 biogenic DHAAHN Cc1ccccc1-c1ncc(CN2[C@@H]3CC[C@H]2C[C@@H](O)C3)s1 ZINC000102067721 563558616 /nfs/dbraw/zinc/55/86/16/563558616.db2.gz ITRKOYKIXBKGKW-FICVDOATSA-N 0 3 314.454 3.606 50 0 DHAAHN O=C(CNC1CCCCC1)Nc1nc(-c2ccccc2)cs1 ZINC000000411818 563611638 /nfs/dbraw/zinc/61/16/38/563611638.db2.gz QSPFPWBSVQBMJF-UHFFFAOYSA-N 0 3 315.442 3.671 50 0 DHAAHN OCCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000000277913 563629124 /nfs/dbraw/zinc/62/91/24/563629124.db2.gz OKHJSYAOKCNNIV-UHFFFAOYSA-N 0 3 309.331 3.700 50 0 DHAAHN CN1CCn2c3ccc(C4CCCCC4)cc3c3c2C1=NCC3 ZINC000000486153 563647088 /nfs/dbraw/zinc/64/70/88/563647088.db2.gz NASIUFHIYPOURM-UHFFFAOYSA-N 0 3 307.441 3.937 50 0 biogenic DHAAHN CC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@@H]2C)N(CCC(C)C)C1=O ZINC000104130077 563672452 /nfs/dbraw/zinc/67/24/52/563672452.db2.gz QTRVLQKYYQBXGS-LBTBCDHLSA-N 0 3 306.494 3.952 50 0 DHAAHN CC(C)NC(=O)Nc1ccc(CNCc2ccsc2)cc1 ZINC000048784919 563700084 /nfs/dbraw/zinc/70/00/84/563700084.db2.gz HIFFUOBPWZCSSW-UHFFFAOYSA-N 0 3 303.431 3.568 50 0 DHAAHN COc1ccccc1CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000025356244 563726404 /nfs/dbraw/zinc/72/64/04/563726404.db2.gz DWVQHVLTVGYLAX-HNNXBMFYSA-N 0 3 307.397 3.732 50 0 DHAAHN CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)c1 ZINC000225444036 563755096 /nfs/dbraw/zinc/75/50/96/563755096.db2.gz FSRHIJFQUMMLOQ-QGZVFWFLSA-N 0 3 302.462 3.647 50 0 DHAAHN C[C@H](CCc1ccccc1)NCc1nn(C)nc1-c1ccccc1 ZINC000248199723 563782732 /nfs/dbraw/zinc/78/27/32/563782732.db2.gz UOURFKGBHOLYSC-MRXNPFEDSA-N 0 3 320.440 3.593 50 0 DHAAHN CC[C@@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000084734140 563830453 /nfs/dbraw/zinc/83/04/53/563830453.db2.gz BJIIIOCIGYJTQY-MLGOLLRUSA-N 0 3 305.372 3.780 50 0 DHAAHN C[C@H](N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1cnccn1 ZINC000090602924 563871532 /nfs/dbraw/zinc/87/15/32/563871532.db2.gz HPDNWOPSOCAKNI-IEZWGBDMSA-N 0 3 311.429 3.655 50 0 DHAAHN CC(=O)Nc1cccc([C@H](C)NC[C@@H](C)c2c(C)noc2C)c1 ZINC000090762850 563875555 /nfs/dbraw/zinc/87/55/55/563875555.db2.gz ZVSACHBDANCMJU-NEPJUHHUSA-N 0 3 315.417 3.704 50 0 DHAAHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000090845074 563876548 /nfs/dbraw/zinc/87/65/48/563876548.db2.gz QMCFYAZVLOMJEV-NJSLBKSFSA-N 0 3 324.424 3.860 50 0 DHAAHN CC(C)N(Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036103077 563893597 /nfs/dbraw/zinc/89/35/97/563893597.db2.gz OFJPXLWDVCHXJC-GOSISDBHSA-N 0 3 301.405 3.640 50 0 DHAAHN Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@@H](C)O)c1 ZINC000036103978 563894461 /nfs/dbraw/zinc/89/44/61/563894461.db2.gz ANNPZWVNRIYKMO-MRXNPFEDSA-N 0 3 301.405 3.826 50 0 DHAAHN Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@H](C)O)c1 ZINC000036103980 563894468 /nfs/dbraw/zinc/89/44/68/563894468.db2.gz ANNPZWVNRIYKMO-INIZCTEOSA-N 0 3 301.405 3.826 50 0 DHAAHN CC[C@H](C)N(Cc1ccsc1)C[C@@H](O)COc1ccccc1 ZINC000169679202 563895174 /nfs/dbraw/zinc/89/51/74/563895174.db2.gz MAPZNZMWFKTVOB-DOTOQJQBSA-N 0 3 319.470 3.789 50 0 DHAAHN C[C@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc(F)c1 ZINC000089905221 563912118 /nfs/dbraw/zinc/91/21/18/563912118.db2.gz VTWCBUDAHVXBSS-HNNXBMFYSA-N 0 3 309.388 3.921 50 0 DHAAHN c1cc2c(o1)CCC[C@H]2NCCc1nnc(-c2ccccc2)o1 ZINC000193038660 563912798 /nfs/dbraw/zinc/91/27/98/563912798.db2.gz VEAZDLBHHBWARF-OAHLLOKOSA-N 0 3 309.369 3.539 50 0 DHAAHN Cc1c([O-])ccc2c(C[NH+](CC(C)C)CC(C)C)cc(=O)oc12 ZINC000002211889 563918961 /nfs/dbraw/zinc/91/89/61/563918961.db2.gz ZBMPTHQUVQSLMM-UHFFFAOYSA-N 0 3 317.429 3.921 50 0 DHAAHN N[C@@H](CC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195544195 563919637 /nfs/dbraw/zinc/91/96/37/563919637.db2.gz WTHPQIOYMMPMPY-ROUUACIJSA-N 0 3 312.388 3.579 50 0 DHAAHN COc1ccccc1-c1nnc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000195568850 563919775 /nfs/dbraw/zinc/91/97/75/563919775.db2.gz VKHCNQVUEUZTGC-KCQAQPDRSA-N 0 3 315.417 3.660 50 0 DHAAHN C[C@H](c1ccncc1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000095957595 563932373 /nfs/dbraw/zinc/93/23/73/563932373.db2.gz JZNOIMYYVJHBNU-QGZVFWFLSA-N 0 3 321.468 3.917 50 0 DHAAHN O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc2ccccc2c1 ZINC000095956259 563932384 /nfs/dbraw/zinc/93/23/84/563932384.db2.gz ZWMFDGVWJDSXMR-GOSISDBHSA-N 0 3 304.393 3.695 50 0 DHAAHN COc1ccccc1[C@H]1CCN(Cc2nc(C)c(C)s2)C1 ZINC000095964891 563932730 /nfs/dbraw/zinc/93/27/30/563932730.db2.gz PBMPSMYSGJPVTD-AWEZNQCLSA-N 0 3 302.443 3.758 50 0 DHAAHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Nc1ccc(Cl)cc1 ZINC000002468609 563937954 /nfs/dbraw/zinc/93/79/54/563937954.db2.gz NRQJUWUODUFPCL-STQMWFEESA-N 0 3 309.841 3.724 50 0 DHAAHN COc1cccc(-c2cc(CN[C@H](C)CC(C)(C)OC)on2)c1 ZINC000670454811 563944798 /nfs/dbraw/zinc/94/47/98/563944798.db2.gz YIPLMIWXWPCOTO-CYBMUJFWSA-N 0 3 318.417 3.643 50 0 DHAAHN COc1cccc(-c2cc(CN[C@@H](C)CC(C)(C)OC)on2)c1 ZINC000670454812 563944847 /nfs/dbraw/zinc/94/48/47/563944847.db2.gz YIPLMIWXWPCOTO-ZDUSSCGKSA-N 0 3 318.417 3.643 50 0 DHAAHN CCN1CCC(Nc2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000008761933 563950499 /nfs/dbraw/zinc/95/04/99/563950499.db2.gz TWNVTLRRSIEUDA-UHFFFAOYSA-N 0 3 324.350 3.545 50 0 DHAAHN CN(Cc1cc(-c2ccccc2)no1)C1Cc2ccccc2C1 ZINC000069418394 563952772 /nfs/dbraw/zinc/95/27/72/563952772.db2.gz OJMBIWIUJOZBGI-UHFFFAOYSA-N 0 3 304.393 3.941 50 0 DHAAHN CC(C)(C)c1ccccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000069808457 563954835 /nfs/dbraw/zinc/95/48/35/563954835.db2.gz OJAMGIXCABRHQG-OAHLLOKOSA-N 0 3 315.461 3.686 50 0 DHAAHN CN(C)[C@@H](CNC(=O)c1cccs1)c1cccc2ccccc21 ZINC000010330464 563958554 /nfs/dbraw/zinc/95/85/54/563958554.db2.gz YLFLKXBUVZEYNR-KRWDZBQOSA-N 0 3 324.449 3.934 50 0 DHAAHN CN(C)c1cccc(CNCc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000078552663 563961241 /nfs/dbraw/zinc/96/12/41/563961241.db2.gz MJPTUDCCUHXIEG-UHFFFAOYSA-N 0 3 324.403 3.572 50 0 DHAAHN CCCN1C[C@@H](NCc2cccc3c4ccccc4oc32)CC1=O ZINC000952963862 1032671933 /nfs/dbraw/zinc/67/19/33/1032671933.db2.gz LIUBHXKTZVSBPN-HNNXBMFYSA-N 0 3 322.408 3.687 50 0 DHAAHN COCC1(CNCc2nc3ccccc3n2CC(C)C)CCC1 ZINC000952979458 1032679230 /nfs/dbraw/zinc/67/92/30/1032679230.db2.gz PVTHRIMVGJPGAG-UHFFFAOYSA-N 0 3 315.461 3.599 50 0 DHAAHN CC[C@H](c1ccccc1)N1CCC[C@@H](CN=S(C)(C)=O)C1 ZINC000952994140 1032681216 /nfs/dbraw/zinc/68/12/16/1032681216.db2.gz VLSUNPHSEASGTC-DOTOQJQBSA-N 0 3 308.491 3.577 50 0 DHAAHN Cc1cccc(NC(=O)CNC2(c3ccccc3)CCC2)c1C ZINC000194553829 1017905197 /nfs/dbraw/zinc/90/51/97/1017905197.db2.gz MXFGOSIKPDHCQT-UHFFFAOYSA-N 0 3 308.425 3.911 50 0 DHAAHN COc1cncc(/C=C\CCN2CCC[C@@H]2c2cc(C)no2)c1 ZINC000568388757 1020305965 /nfs/dbraw/zinc/30/59/65/1020305965.db2.gz ROONRGPMNPCZRO-GPCFVJJQSA-N 0 3 313.401 3.627 50 0 DHAAHN CCCCN1C(=O)/C(=C/C=C2\CC(C)(C)CN2C)SC1=S ZINC000033921803 1020724971 /nfs/dbraw/zinc/72/49/71/1020724971.db2.gz UAAVMQTUBLHHRK-GUFPOKFQSA-N 0 3 324.515 3.776 50 0 DHAAHN COC[C@@H](NCc1cccnc1Oc1cccc(F)c1)C1CC1 ZINC000154707636 1021502443 /nfs/dbraw/zinc/50/24/43/1021502443.db2.gz DYVGQQQWJISVQU-QGZVFWFLSA-N 0 3 316.376 3.528 50 0 DHAAHN Cc1cnn(CCN[C@@H]2CCCOc3c(Cl)cc(C)cc32)c1 ZINC000123867709 1025515329 /nfs/dbraw/zinc/51/53/29/1025515329.db2.gz VCTNQOXMHAYWHJ-MRXNPFEDSA-N 0 3 319.836 3.657 50 0 DHAAHN C[S@@](=O)c1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000090220868 185286954 /nfs/dbraw/zinc/28/69/54/185286954.db2.gz PUGUABGYFUOGDQ-YWZLYKJASA-N 0 3 305.468 3.653 50 0 DHAAHN COc1ccc2cc(CN3CCC(n4ccnc4)CC3)ccc2c1 ZINC000092648428 185331430 /nfs/dbraw/zinc/33/14/30/185331430.db2.gz MDPMWBOJHKWXFE-UHFFFAOYSA-N 0 3 321.424 3.882 50 0 DHAAHN Cn1cc([C@@H](NCc2ccc(F)cc2)c2cccc(F)c2)cn1 ZINC000095427005 185361882 /nfs/dbraw/zinc/36/18/82/185361882.db2.gz GNZIZVDCFNFBRP-SFHVURJKSA-N 0 3 313.351 3.578 50 0 DHAAHN COc1ccccc1CN(Cc1ccccc1)[C@@H](CO)C(C)C ZINC000097032742 185399516 /nfs/dbraw/zinc/39/95/16/185399516.db2.gz VVOWZRANAQBLFJ-IBGZPJMESA-N 0 3 313.441 3.714 50 0 DHAAHN C[C@@H]1CCCCN1C1CN(Cc2c(F)ccc(F)c2Cl)C1 ZINC000072152289 191057624 /nfs/dbraw/zinc/05/76/24/191057624.db2.gz QTJHZDQUORXGKE-LLVKDONJSA-N 0 3 314.807 3.677 50 0 DHAAHN Cc1cccc(CN[C@H]2CSC[C@H]2C)c1Br ZINC000253393516 186303409 /nfs/dbraw/zinc/30/34/09/186303409.db2.gz DYSKIDLOLXLQAJ-PWSUYJOCSA-N 0 3 300.265 3.599 50 0 DHAAHN COC(=O)c1ccc(CN(C)Cc2cccc3cnccc32)cc1 ZINC000072411530 191153986 /nfs/dbraw/zinc/15/39/86/191153986.db2.gz BVYNRPAAVHZHHA-UHFFFAOYSA-N 0 3 320.392 3.653 50 0 DHAAHN Cc1ccc2c(c1)[C@@H](c1ccccc1)[C@@H](N1CCCCC1)C(=O)N2 ZINC000004889065 181168946 /nfs/dbraw/zinc/16/89/46/181168946.db2.gz QEGHIXFHUNLHMD-WOJBJXKFSA-N 0 3 320.436 3.934 50 0 DHAAHN C[C@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)NCc1cccnc1 ZINC000005249604 181221997 /nfs/dbraw/zinc/22/19/97/181221997.db2.gz YOGMQUBAEAYSMA-DAYGRLMNSA-N 0 3 300.446 3.757 50 0 DHAAHN COc1cccc(CNC2CC2)c1OCc1ccccc1F ZINC000006702121 181373652 /nfs/dbraw/zinc/37/36/52/181373652.db2.gz AEXUJKACYNXLEA-UHFFFAOYSA-N 0 3 301.361 3.665 50 0 DHAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(Cl)c1C)C2 ZINC000092099766 193158543 /nfs/dbraw/zinc/15/85/43/193158543.db2.gz XFHWLSQLIBBINR-HUUCEWRRSA-N 0 3 320.864 3.595 50 0 DHAAHN CCOC[C@H]1CCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093838681 193315040 /nfs/dbraw/zinc/31/50/40/193315040.db2.gz DKTXDJWVAFKCGU-HNNXBMFYSA-N 0 3 314.404 3.746 50 0 DHAAHN CC(C)C[C@H](NC[C@@](C)(O)c1ccsc1)c1ccccn1 ZINC000095968342 193465272 /nfs/dbraw/zinc/46/52/72/193465272.db2.gz KBCQHUNGCXEDIW-DLBZAZTESA-N 0 3 304.459 3.728 50 0 DHAAHN Cc1scc(C(=O)NC2CCN(C)CC2)c1-c1ccccc1 ZINC000016580608 182051156 /nfs/dbraw/zinc/05/11/56/182051156.db2.gz CNQZROLKWKRFRY-UHFFFAOYSA-N 0 3 314.454 3.548 50 0 DHAAHN COc1cc(CNCc2cc(C)c(OC)cc2C)cc(OC)c1 ZINC000016671425 182056559 /nfs/dbraw/zinc/05/65/59/182056559.db2.gz VBLDEJZONDDRJY-UHFFFAOYSA-N 0 3 315.413 3.619 50 0 DHAAHN Cc1noc(C)c1CN1CCC(Cc2ccccc2F)CC1 ZINC000019229120 182108926 /nfs/dbraw/zinc/10/89/26/182108926.db2.gz VZTIYFZUYIUGFP-UHFFFAOYSA-N 0 3 302.393 3.885 50 0 DHAAHN CCc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000019842352 182155660 /nfs/dbraw/zinc/15/56/60/182155660.db2.gz MPMHDLYFIOMWBE-UHFFFAOYSA-N 0 3 308.469 3.875 50 0 DHAAHN Brc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000019831791 182154605 /nfs/dbraw/zinc/15/46/05/182154605.db2.gz PTJQWZMPAINUAV-UHFFFAOYSA-N 0 3 323.278 3.509 50 0 DHAAHN CC[C@@H](C)c1ccc(OCCCCN2CCN(C)CC2)cc1 ZINC000020118399 182189514 /nfs/dbraw/zinc/18/95/14/182189514.db2.gz LLFVWOBBQFDODP-QGZVFWFLSA-N 0 3 304.478 3.607 50 0 DHAAHN COc1cc(CNCCc2ccccc2F)cc(Cl)c1OC ZINC000020228221 182199273 /nfs/dbraw/zinc/19/92/73/182199273.db2.gz UKLCMVFSMKGFDX-UHFFFAOYSA-N 0 3 323.795 3.829 50 0 DHAAHN C[C@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000021578996 182280478 /nfs/dbraw/zinc/28/04/78/182280478.db2.gz GJZFCXFLSIUPBM-HOTGVXAUSA-N 0 3 314.473 3.617 50 0 DHAAHN CN(C)CCN(Cc1ccccc1)Cc1ccccc1Cl ZINC000022455778 182322393 /nfs/dbraw/zinc/32/23/93/182322393.db2.gz RFWBHFARRHFEHN-UHFFFAOYSA-N 0 3 302.849 3.904 50 0 DHAAHN OC[C@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000023279907 182355871 /nfs/dbraw/zinc/35/58/71/182355871.db2.gz CHKSXRXEXLKVCV-ZDUSSCGKSA-N 0 3 305.805 3.804 50 0 DHAAHN Cc1c(C)n(Cc2ccccn2)c2nc3c(c(N)c12)CCCC3 ZINC000040287428 183052143 /nfs/dbraw/zinc/05/21/43/183052143.db2.gz IAELGPPGZPDYBG-UHFFFAOYSA-N 0 3 306.413 3.557 50 0 DHAAHN CC[C@H](C)N(C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000058405888 184113893 /nfs/dbraw/zinc/11/38/93/184113893.db2.gz UPGMDYHXTQQDAH-HOTGVXAUSA-N 0 3 304.478 3.793 50 0 DHAAHN Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000065365616 184329443 /nfs/dbraw/zinc/32/94/43/184329443.db2.gz IIYKWQPRUCWTQZ-UHFFFAOYSA-N 0 3 324.424 3.720 50 0 DHAAHN Cc1nccn1C[C@H]1CCCN1Cc1cc(-c2ccccc2)on1 ZINC000284950481 131125195 /nfs/dbraw/zinc/12/51/95/131125195.db2.gz JBNYXUUGYQFKQL-GOSISDBHSA-N 0 3 322.412 3.511 50 0 DHAAHN Cc1ccc([C@H](C)NCCc2nccn2Cc2ccccc2)o1 ZINC000095420013 332169996 /nfs/dbraw/zinc/16/99/96/332169996.db2.gz WWJRVQASSAKUIC-INIZCTEOSA-N 0 3 309.413 3.726 50 0 DHAAHN CCN(Cc1nc(-c2ccccc2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289800658 334167868 /nfs/dbraw/zinc/16/78/68/334167868.db2.gz MWKICJIIPRIDCB-OAHLLOKOSA-N 0 3 315.417 3.516 50 0 DHAAHN CC(C)CC1(NC(=O)N(C)[C@H](CN(C)C)c2ccccc2)CC1 ZINC000534665540 334318883 /nfs/dbraw/zinc/31/88/83/334318883.db2.gz PIUIMXYMNPJZGA-QGZVFWFLSA-N 0 3 317.477 3.509 50 0 DHAAHN CCc1nc(C)c(CN[C@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000534676165 334323325 /nfs/dbraw/zinc/32/33/25/334323325.db2.gz CVIKHTGZRPLOAU-AWEZNQCLSA-N 0 3 319.449 3.522 50 0 DHAAHN Cc1cccc2oc(CCNCC3=Cc4ccccc4OC3)nc21 ZINC000266323248 524997373 /nfs/dbraw/zinc/99/73/73/524997373.db2.gz SMUUNLBGHYPSLE-UHFFFAOYSA-N 0 3 320.392 3.744 50 0 DHAAHN CCC[C@@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000069703816 563954368 /nfs/dbraw/zinc/95/43/68/563954368.db2.gz IUXLYECLRJBZAW-HUUCEWRRSA-N 0 3 308.491 3.513 50 0 DHAAHN CN(CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000002760475 563312564 /nfs/dbraw/zinc/31/25/64/563312564.db2.gz GRXVDKKCUHKZAQ-UHFFFAOYSA-N 0 3 302.805 3.801 50 0 DHAAHN COc1cccc(C(=O)CCN2CC[C@@H](c3ccccc3)C2)c1 ZINC000000177639 563228227 /nfs/dbraw/zinc/22/82/27/563228227.db2.gz VWHWKEXIFJIXIB-GOSISDBHSA-N 0 3 309.409 3.758 50 0 DHAAHN CCN(CC)C(=O)[C@@H]1CCCN(C/C(C)=C/c2ccccc2)C1 ZINC000000277970 563235552 /nfs/dbraw/zinc/23/55/52/563235552.db2.gz VZLZWBUPBPQWIB-DQSGYLJSSA-N 0 3 314.473 3.670 50 0 DHAAHN COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000000514977 563264293 /nfs/dbraw/zinc/26/42/93/563264293.db2.gz MCCCVWFADSQLAH-UHFFFAOYSA-N 0 3 324.424 3.933 50 0 DHAAHN CCN(CC)CCOC(=O)Nc1cccc(Cl)c1Cl ZINC000002171900 563301006 /nfs/dbraw/zinc/30/10/06/563301006.db2.gz VEWZCAAXWNXTKA-UHFFFAOYSA-N 0 3 305.205 3.884 50 0 DHAAHN Fc1cccc(Cl)c1CSc1nnc([C@H]2CCCN2)o1 ZINC000002365550 563303017 /nfs/dbraw/zinc/30/30/17/563303017.db2.gz IPGRASLNPAJUSV-LLVKDONJSA-N 0 3 313.785 3.579 50 0 DHAAHN O=C(c1ccc(CN2CCCC2)cc1)c1cc(F)cc(F)c1 ZINC000002514590 563305059 /nfs/dbraw/zinc/30/50/59/563305059.db2.gz KRRCOINVEADLGF-UHFFFAOYSA-N 0 3 301.336 3.792 50 0 DHAAHN O=C(c1ccc(CN2CCCC2)cc1)c1ccc(F)cc1F ZINC000002514588 563305249 /nfs/dbraw/zinc/30/52/49/563305249.db2.gz VICGPFJZPKCRNA-UHFFFAOYSA-N 0 3 301.336 3.792 50 0 DHAAHN CCOC(=O)[C@@H]1CCCN(Cc2cncc(-c3ccccc3)c2)C1 ZINC000034670271 563310824 /nfs/dbraw/zinc/31/08/24/563310824.db2.gz PCLRLNHWIHZLOW-GOSISDBHSA-N 0 3 324.424 3.524 50 0 DHAAHN C[C@H]1CCCN(CCC(=O)c2ccc(Br)cc2)C1 ZINC000002882016 563316730 /nfs/dbraw/zinc/31/67/30/563316730.db2.gz LTVWWXITZWRJJV-LBPRGKRZSA-N 0 3 310.235 3.754 50 0 DHAAHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H]1CCCSC1 ZINC000097371194 563336592 /nfs/dbraw/zinc/33/65/92/563336592.db2.gz IMQDRVVRPTXCGC-SKDRFNHKSA-N 0 3 321.412 3.608 50 0 DHAAHN CCN1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000007964209 563343302 /nfs/dbraw/zinc/34/33/02/563343302.db2.gz APAQGQQVPBJPJV-UHFFFAOYSA-N 0 3 308.425 3.568 50 0 DHAAHN COc1cccc(N2CCN(C[C@@H](C)c3ccccc3)CC2)c1 ZINC000012383495 563368126 /nfs/dbraw/zinc/36/81/26/563368126.db2.gz BCWDVVXLIHDBGJ-QGZVFWFLSA-N 0 3 310.441 3.621 50 0 DHAAHN Cn1cc(CN2CCC[C@@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000014952424 563404799 /nfs/dbraw/zinc/40/47/99/563404799.db2.gz XETJDGVDXPQSIJ-AWEZNQCLSA-N 0 3 319.399 3.543 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000015066490 563406851 /nfs/dbraw/zinc/40/68/51/563406851.db2.gz IRMCBKDXTASVRY-AWEZNQCLSA-N 0 3 319.399 3.841 50 0 DHAAHN Fc1ccc(CC[C@H]2CCCN(Cc3cnc[nH]3)C2)c(F)c1 ZINC000015072487 563407104 /nfs/dbraw/zinc/40/71/04/563407104.db2.gz WGHPBRKOKWRHRE-CYBMUJFWSA-N 0 3 305.372 3.533 50 0 DHAAHN c1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1 ZINC000025249598 563421801 /nfs/dbraw/zinc/42/18/01/563421801.db2.gz USEUFOGOJQXSHI-UHFFFAOYSA-N 0 3 307.397 3.904 50 0 DHAAHN O=C(CN1CCC[C@H]1Cc1ccccc1)NC1CCCCCC1 ZINC000025358813 563422646 /nfs/dbraw/zinc/42/26/46/563422646.db2.gz OHERQEICSXBKTG-IBGZPJMESA-N 0 3 314.473 3.533 50 0 DHAAHN Cc1ccc([C@H](CNC(=O)CC(C)C)N2CCCCC2)cc1 ZINC000027583967 563428732 /nfs/dbraw/zinc/42/87/32/563428732.db2.gz YMYGBELISPTPPX-SFHVURJKSA-N 0 3 302.462 3.684 50 0 DHAAHN C[C@H](NCc1ccsc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925557 563433117 /nfs/dbraw/zinc/43/31/17/563433117.db2.gz BCRJUUNOJFQCPO-LBPRGKRZSA-N 0 3 300.427 3.947 50 0 DHAAHN Fc1ccccc1N1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000023283218 563450636 /nfs/dbraw/zinc/45/06/36/563450636.db2.gz OZHRNZWCSBPWLW-SFHVURJKSA-N 0 3 310.416 3.505 50 0 DHAAHN CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C)C1 ZINC000071766991 563465759 /nfs/dbraw/zinc/46/57/59/563465759.db2.gz HHSVHCQGHUDCDI-LJQANCHMSA-N 0 3 307.437 3.904 50 0 DHAAHN O=c1[nH]c2cc(F)ccc2cc1CN1CCC[C@H]1c1ccco1 ZINC000067741481 563489545 /nfs/dbraw/zinc/48/95/45/563489545.db2.gz VVQBQWFPCILXCA-INIZCTEOSA-N 0 3 312.344 3.597 50 0 DHAAHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccccc1-c1ccccc1 ZINC000067771192 563490762 /nfs/dbraw/zinc/49/07/62/563490762.db2.gz MQDMFVFAOQUSSZ-QGZVFWFLSA-N 0 3 322.452 3.767 50 0 DHAAHN C=Cc1cccc(CN2CCC[C@]3(CCN(C(=O)C4CC4)C3)C2)c1 ZINC000067855827 563492106 /nfs/dbraw/zinc/49/21/06/563492106.db2.gz FCQVDBRIEXVOJS-NRFANRHFSA-N 0 3 324.468 3.554 50 0 DHAAHN CCO[C@H](C)c1ccc(-c2cccc(N3CCNCC3)c2)cc1 ZINC000067908999 563493244 /nfs/dbraw/zinc/49/32/44/563493244.db2.gz WGYLQEHJTRRXEM-MRXNPFEDSA-N 0 3 310.441 3.861 50 0 DHAAHN O=C(NCC1=CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000072437182 563503173 /nfs/dbraw/zinc/50/31/73/563503173.db2.gz OSWRKPKSSVMSEK-UHFFFAOYSA-N 0 3 312.457 3.515 50 0 DHAAHN CCCCc1ncc(CN2CC[C@@H](c3ccccc3F)C2)[nH]1 ZINC000072435822 563503353 /nfs/dbraw/zinc/50/33/53/563503353.db2.gz HJWFSOGZSDZKLG-CQSZACIVSA-N 0 3 301.409 3.881 50 0 DHAAHN Cc1n[nH]c(C)c1CNCc1ccccc1COc1ccccc1 ZINC000097159239 563507352 /nfs/dbraw/zinc/50/73/52/563507352.db2.gz ISTJDXQKDXJDES-UHFFFAOYSA-N 0 3 321.424 3.895 50 0 DHAAHN c1cnn(CCC2CCN(Cc3cc4ccccc4o3)CC2)c1 ZINC000077385294 563510002 /nfs/dbraw/zinc/51/00/02/563510002.db2.gz DQZAAWDRAUZNGK-UHFFFAOYSA-N 0 3 309.413 3.932 50 0 DHAAHN CC(C)C[C@@H](O)C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000077525337 563511495 /nfs/dbraw/zinc/51/14/95/563511495.db2.gz UOIXASJWMBDLEN-LJQANCHMSA-N 0 3 300.446 3.787 50 0 DHAAHN CCCc1nnc(NC[C@@H](c2ccccc2)N2CCCCC2)o1 ZINC000095385441 563529850 /nfs/dbraw/zinc/52/98/50/563529850.db2.gz CGNVLZZZFDLRQP-INIZCTEOSA-N 0 3 314.433 3.661 50 0 DHAAHN COc1cc(C)cc(OC)c1-c1ccccc1OCCN(C)C ZINC000096150088 563534243 /nfs/dbraw/zinc/53/42/43/563534243.db2.gz OLOBMYDMXHKNDR-UHFFFAOYSA-N 0 3 315.413 3.620 50 0 DHAAHN c1ccc2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2c1 ZINC000096282675 563536236 /nfs/dbraw/zinc/53/62/36/563536236.db2.gz GPCCQUBMGXQCPH-UHFFFAOYSA-N 0 3 307.397 3.705 50 0 DHAAHN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@H]2CCCC[C@H]2C1 ZINC000248006603 563599470 /nfs/dbraw/zinc/59/94/70/563599470.db2.gz WBLURPAGRKIDKQ-BBWFWOEESA-N 0 3 300.446 3.834 50 0 DHAAHN O=C(c1ccco1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000069349467 563615836 /nfs/dbraw/zinc/61/58/36/563615836.db2.gz LOJONMJJVHHNAE-MSOLQXFVSA-N 0 3 324.424 3.549 50 0 DHAAHN C[C@H](CNC(=O)Nc1ccccc1Cl)N1CCCC[C@@H]1C ZINC000109033212 563690121 /nfs/dbraw/zinc/69/01/21/563690121.db2.gz ABHNPODXJCZBLA-QWHCGFSZSA-N 0 3 309.841 3.724 50 0 DHAAHN Cc1cc([C@@H](C)NCc2cnc3n[nH]c(C)c3c2)c(C)s1 ZINC000048355073 563697664 /nfs/dbraw/zinc/69/76/64/563697664.db2.gz KMLQOSMYZLJILO-SNVBAGLBSA-N 0 3 300.431 3.795 50 0 DHAAHN Cc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccccc2C)cc1 ZINC000048374096 563698323 /nfs/dbraw/zinc/69/83/23/563698323.db2.gz HKEXSRJQMGAAOF-IAGOWNOFSA-N 0 3 310.441 3.659 50 0 DHAAHN CCN1CCC[C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000048769186 563699877 /nfs/dbraw/zinc/69/98/77/563699877.db2.gz WBRWGWKZGUGRLC-LLVKDONJSA-N 0 3 316.232 3.599 50 0 DHAAHN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCCCCCC1 ZINC000014915724 563703202 /nfs/dbraw/zinc/70/32/02/563703202.db2.gz FFCBIOARBWRECM-CQSZACIVSA-N 0 3 308.853 3.611 50 0 DHAAHN CC(C)C[C@H]1CCCCCN1Cc1nnc2n1CCCCC2 ZINC000225409901 563754133 /nfs/dbraw/zinc/75/41/33/563754133.db2.gz MFLLXXFLSLZGLP-MRXNPFEDSA-N 0 3 304.482 3.795 50 0 DHAAHN Cc1cn2c(n1)[C@@H](CNCc1cnc(C(C)(C)C)s1)CCC2 ZINC000084257829 563825700 /nfs/dbraw/zinc/82/57/00/563825700.db2.gz OZANBDTVRIXGDZ-CYBMUJFWSA-N 0 3 318.490 3.613 50 0 DHAAHN C[C@H](c1cccnc1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000084661101 563830039 /nfs/dbraw/zinc/83/00/39/563830039.db2.gz KKOOIDKFASFXOP-YPMHNXCESA-N 0 3 324.350 3.764 50 0 DHAAHN CC[C@@H](C)N(Cc1ccsc1)C[C@H](O)COc1ccccc1 ZINC000036031846 563892336 /nfs/dbraw/zinc/89/23/36/563892336.db2.gz MAPZNZMWFKTVOB-WBVHZDCISA-N 0 3 319.470 3.789 50 0 DHAAHN CCc1oc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1C ZINC000170597963 563906963 /nfs/dbraw/zinc/90/69/63/563906963.db2.gz YCFNTHBOPWBBCS-KDOFPFPSSA-N 0 3 314.429 3.572 50 0 DHAAHN CC(C)N1CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000170595070 563907003 /nfs/dbraw/zinc/90/70/03/563907003.db2.gz VIBYLWFRYUJCFY-JTQLQIEISA-N 0 3 307.747 3.648 50 0 DHAAHN CCc1oc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C ZINC000170597962 563907161 /nfs/dbraw/zinc/90/71/61/563907161.db2.gz YCFNTHBOPWBBCS-KSSFIOAISA-N 0 3 314.429 3.572 50 0 DHAAHN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626944 563908996 /nfs/dbraw/zinc/90/89/96/563908996.db2.gz WTUXWCSSBUOUSE-MLYOOKFZSA-N 0 3 318.505 3.987 50 0 DHAAHN CC(C)C(=O)N1CC[C@H](N[C@@H](C)c2cc(F)ccc2F)[C@H](C)C1 ZINC000076056437 563912126 /nfs/dbraw/zinc/91/21/26/563912126.db2.gz AESHEFFZZCIMHS-IGCXYCKISA-N 0 3 324.415 3.508 50 0 DHAAHN C[C@@H](NC(=O)c1cccc(CN)c1)c1ccc(C(F)(F)F)cc1 ZINC000252503676 563916333 /nfs/dbraw/zinc/91/63/33/563916333.db2.gz VFNFOLJRBACKLT-LLVKDONJSA-N 0 3 322.330 3.655 50 0 DHAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccoc1 ZINC000584892435 563925450 /nfs/dbraw/zinc/92/54/50/563925450.db2.gz FLRUJDXGJWMANQ-GOSISDBHSA-N 0 3 312.413 3.627 50 0 DHAAHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000095988001 563934121 /nfs/dbraw/zinc/93/41/21/563934121.db2.gz YVEDMSPDDWZJFT-SMDDNHRTSA-N 0 3 320.820 3.748 50 0 DHAAHN C[C@@H](CN(C)C)OC(=O)CC(c1ccccc1)c1ccccc1 ZINC000096028099 563935282 /nfs/dbraw/zinc/93/52/82/563935282.db2.gz SDBFAXMWGGTQIH-INIZCTEOSA-N 0 3 311.425 3.702 50 0 DHAAHN Cc1noc(C)c1CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000096444979 563937029 /nfs/dbraw/zinc/93/70/29/563937029.db2.gz IVIHLOGSWCWYSF-IBGZPJMESA-N 0 3 314.429 3.553 50 0 DHAAHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)c1ccc(F)c(F)c1 ZINC000229557147 563945563 /nfs/dbraw/zinc/94/55/63/563945563.db2.gz BZEBIVQVTUXHKV-JBBXEZCESA-N 0 3 322.399 3.501 50 0 DHAAHN COc1ccc2[nH]c(C)c(CN3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008700906 563949812 /nfs/dbraw/zinc/94/98/12/563949812.db2.gz KPVOCIDZKIFLAP-LBPRGKRZSA-N 0 3 300.402 3.632 50 0 DHAAHN O[C@@H]1C[C@@H](c2ccccc2)N(Cc2cccc3cccnc32)C1 ZINC000411920377 563961978 /nfs/dbraw/zinc/96/19/78/563961978.db2.gz CELAEBXJLGSYET-MOPGFXCFSA-N 0 3 304.393 3.543 50 0 DHAAHN CC1(C)C[C@H](NCc2ccc(Oc3ccc(F)cc3)nc2)CO1 ZINC000417872439 563961986 /nfs/dbraw/zinc/96/19/86/563961986.db2.gz JKQZTULESNTAMA-HNNXBMFYSA-N 0 3 316.376 3.670 50 0 DHAAHN CCOc1ccc(CNCc2ccc(OC)cc2)cc1OCC ZINC000007538529 568412435 /nfs/dbraw/zinc/41/24/35/568412435.db2.gz QVVOUZBFFOKTMF-UHFFFAOYSA-N 0 3 315.413 3.782 50 0 DHAAHN OC(c1ccccc1)(c1ccccc1)[C@@H]1Cc2ccccc2CN1 ZINC000025761890 568412690 /nfs/dbraw/zinc/41/26/90/568412690.db2.gz RHDBEHVNWCDLDP-NRFANRHFSA-N 0 3 315.416 3.637 50 0 DHAAHN COc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1OC ZINC000071837177 1013979195 /nfs/dbraw/zinc/97/91/95/1013979195.db2.gz SYBGPPBJWOUDCB-MRXNPFEDSA-N 0 3 301.361 3.620 50 0 DHAAHN CC[C@H](c1ccccn1)N(C)Cc1ccc(OC)c(COC)c1 ZINC000952989594 1032686546 /nfs/dbraw/zinc/68/65/46/1032686546.db2.gz RGMOYFPCIMMRJO-GOSISDBHSA-N 0 3 314.429 3.820 50 0 DHAAHN C[C@@H](NCc1ccsc1C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000529583643 1021186833 /nfs/dbraw/zinc/18/68/33/1021186833.db2.gz CBTIGYRPNARFMN-MRVPVSSYSA-N 0 3 302.321 3.718 50 0 DHAAHN COC[C@@H]1OCCN(CC2CCCCC2)[C@H]1c1ccccc1 ZINC000581804273 1021846852 /nfs/dbraw/zinc/84/68/52/1021846852.db2.gz KCFLZOCDJRXWMS-OALUTQOASA-N 0 3 303.446 3.655 50 0 DHAAHN C[C@@H](NCc1nc(Cl)cs1)[C@H](c1ccccc1)N(C)C ZINC000585117201 1029776104 /nfs/dbraw/zinc/77/61/04/1029776104.db2.gz URNSCCQITJBQFG-IAQYHMDHSA-N 0 3 309.866 3.578 50 0 DHAAHN c1cncc(CNc2cccc(OCCN3CCCCC3)c2)c1 ZINC000095429060 185362651 /nfs/dbraw/zinc/36/26/51/185362651.db2.gz MKSQZXZAGCXQST-UHFFFAOYSA-N 0 3 311.429 3.558 50 0 DHAAHN O=C(C1CCCC1)N1CC[C@H](N[C@H]2CCCc3sccc32)C1 ZINC000095423915 185361197 /nfs/dbraw/zinc/36/11/97/185361197.db2.gz KPNPBGLPBDAABH-HOCLYGCPSA-N 0 3 318.486 3.506 50 0 DHAAHN CCOC(=O)C1CCN(Cc2cc(C(C)C)c(O)cc2C)CC1 ZINC000095446129 185367578 /nfs/dbraw/zinc/36/75/78/185367578.db2.gz WXWDBHQRDYHXKA-UHFFFAOYSA-N 0 3 319.445 3.599 50 0 DHAAHN Cc1ccc(C)c(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000095440196 185365987 /nfs/dbraw/zinc/36/59/87/185365987.db2.gz YBIBXFRXPKTPES-VFNWGFHPSA-N 0 3 301.455 3.892 50 0 DHAAHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000097014465 185397345 /nfs/dbraw/zinc/39/73/45/185397345.db2.gz BRSSXUUEBBKWCU-RYUDHWBXSA-N 0 3 324.387 3.564 50 0 DHAAHN COc1ccccc1CN(Cc1ccccc1)[C@H](CO)C(C)C ZINC000097032741 185399217 /nfs/dbraw/zinc/39/92/17/185399217.db2.gz VVOWZRANAQBLFJ-LJQANCHMSA-N 0 3 313.441 3.714 50 0 DHAAHN Cc1ccc(CN2CCC3(CC2)c2ccccc2C[C@@H]3O)s1 ZINC000072125423 191041777 /nfs/dbraw/zinc/04/17/77/191041777.db2.gz ZAOKGFGFDSCJEB-SFHVURJKSA-N 0 3 313.466 3.507 50 0 DHAAHN Cc1cccc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000072143583 191049494 /nfs/dbraw/zinc/04/94/94/191049494.db2.gz SJKIUHQHURWTDB-INIZCTEOSA-N 0 3 320.440 3.721 50 0 DHAAHN Cc1cc(-c2cc(NCCN(C)C)nc3[nH]ccc32)nc(C)c1C ZINC000072166434 191065792 /nfs/dbraw/zinc/06/57/92/191065792.db2.gz BRYBBJKVWCHNJK-UHFFFAOYSA-N 0 3 323.444 3.524 50 0 DHAAHN CCC(=O)N[C@H]1CCCN(CCc2ccc(C(C)(C)C)cc2)C1 ZINC000225638372 186285772 /nfs/dbraw/zinc/28/57/72/186285772.db2.gz RYTFVTQFUNEEJP-SFHVURJKSA-N 0 3 316.489 3.517 50 0 DHAAHN Fc1ccc(C2(NCc3ccc(Cl)nc3)CCOCC2)cc1 ZINC000072628984 191204714 /nfs/dbraw/zinc/20/47/14/191204714.db2.gz UBXOKEZWMKOOHC-UHFFFAOYSA-N 0 3 320.795 3.670 50 0 DHAAHN c1ccc(CN2CCC(Nc3ncnc4ccccc43)CC2)cc1 ZINC000004117927 181075618 /nfs/dbraw/zinc/07/56/18/181075618.db2.gz PKOZJSLFKWQNLD-UHFFFAOYSA-N 0 3 318.424 3.706 50 0 DHAAHN Clc1ccc(-c2csc(N3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000004577488 181126967 /nfs/dbraw/zinc/12/69/67/181126967.db2.gz OEVKPPCAYSTFIC-CQSZACIVSA-N 0 3 319.861 3.748 50 0 DHAAHN C[C@H](O)CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004942873 181176885 /nfs/dbraw/zinc/17/68/85/181176885.db2.gz TUKUPVBGGWDOSX-VIFPVBQESA-N 0 3 300.185 3.724 50 0 DHAAHN C[C@H]1C[C@H](C)CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000005186283 181215140 /nfs/dbraw/zinc/21/51/40/181215140.db2.gz KXPRFOGIFRLJDK-KBPBESRZSA-N 0 3 311.425 3.760 50 0 biogenic DHAAHN CCN(CC)CCSc1ccc(-c2ccccc2OC)nn1 ZINC000005410606 181240304 /nfs/dbraw/zinc/24/03/04/181240304.db2.gz LNVMMOYXTJJNPB-UHFFFAOYSA-N 0 3 317.458 3.586 50 0 DHAAHN O[C@H](COc1ccc2ccccc2c1Cl)CN1CCCCC1 ZINC000006000177 181304900 /nfs/dbraw/zinc/30/49/00/181304900.db2.gz RHMCDAJUMZVVKH-HNNXBMFYSA-N 0 3 319.832 3.719 50 0 DHAAHN C[C@@]1(CO)CCCN(Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000093341062 193235835 /nfs/dbraw/zinc/23/58/35/193235835.db2.gz DAJWWGPBDHZTKQ-CQSZACIVSA-N 0 3 319.392 3.893 50 0 DHAAHN CC(C)C[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccccn1 ZINC000095968343 193465064 /nfs/dbraw/zinc/46/50/64/193465064.db2.gz KBCQHUNGCXEDIW-IAGOWNOFSA-N 0 3 304.459 3.728 50 0 DHAAHN Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000012979936 181817896 /nfs/dbraw/zinc/81/78/96/181817896.db2.gz WWFIAXDMGLNXHU-IBGZPJMESA-N 0 3 323.440 3.954 50 0 DHAAHN C[C@@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019634470 182133970 /nfs/dbraw/zinc/13/39/70/182133970.db2.gz NMGYYUQHEIXWFP-IBGZPJMESA-N 0 3 308.469 3.998 50 0 DHAAHN CN(C)CCN(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000019637655 182134082 /nfs/dbraw/zinc/13/40/82/182134082.db2.gz NPOSDHRAMJDWGH-UHFFFAOYSA-N 0 3 302.849 3.904 50 0 DHAAHN Cc1cccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)c1 ZINC000019781689 182147716 /nfs/dbraw/zinc/14/77/16/182147716.db2.gz HLBQRYSQUHCGHO-UHFFFAOYSA-N 0 3 319.452 3.794 50 0 DHAAHN COc1cccc2c1OC[C@@H](NCc1cccc(SC)c1)C2 ZINC000019792735 182150265 /nfs/dbraw/zinc/15/02/65/182150265.db2.gz BASHLDFZBIMBDD-HNNXBMFYSA-N 0 3 315.438 3.510 50 0 DHAAHN CCOc1ccccc1CN(CCN(C)C)Cc1ccccc1 ZINC000020029405 182181709 /nfs/dbraw/zinc/18/17/09/182181709.db2.gz IMHVHEDHTJAIRW-UHFFFAOYSA-N 0 3 312.457 3.649 50 0 DHAAHN CCN1CCN(CCCOc2ccc(C(C)(C)C)cc2C)CC1 ZINC000020389807 182213494 /nfs/dbraw/zinc/21/34/94/182213494.db2.gz XJUXTGJXWIRMNQ-UHFFFAOYSA-N 0 3 318.505 3.699 50 0 DHAAHN CN(Cc1cccs1)C[C@@]1(c2ccc(F)cc2)CCOC1 ZINC000020515712 182226897 /nfs/dbraw/zinc/22/68/97/182226897.db2.gz LSBHSDZKPNDBSV-KRWDZBQOSA-N 0 3 305.418 3.677 50 0 DHAAHN Cc1ccccc1CN1CCN(CCCc2ccccc2)CC1 ZINC000022031808 182305333 /nfs/dbraw/zinc/30/53/33/182305333.db2.gz UAJKRQLSCRFEJM-UHFFFAOYSA-N 0 3 308.469 3.745 50 0 DHAAHN C[C@@H](NCc1ccc(Cl)s1)c1ccc(-n2cncn2)cc1 ZINC000022817003 182335856 /nfs/dbraw/zinc/33/58/56/182335856.db2.gz WVZFLCIWABOYCD-LLVKDONJSA-N 0 3 318.833 3.833 50 0 DHAAHN Cc1ccc2c(c1)Sc1ccccc1C[C@@H]2N1CCN(C)CC1 ZINC000022876356 182339000 /nfs/dbraw/zinc/33/90/00/182339000.db2.gz ANCXKMUBJDEPRX-SFHVURJKSA-N 0 3 324.493 3.991 50 0 DHAAHN CN(CCc1ccccn1)Cc1ccc(F)c(Br)c1 ZINC000023114827 182348592 /nfs/dbraw/zinc/34/85/92/182348592.db2.gz AYXXYHHCHNVRKR-UHFFFAOYSA-N 0 3 323.209 3.658 50 0 DHAAHN CCc1cc(C(=O)NCc2ccc(CN(C)C)cc2)sc1C ZINC000023962186 182370378 /nfs/dbraw/zinc/37/03/78/182370378.db2.gz WUVSYTIJHUDVPB-UHFFFAOYSA-N 0 3 316.470 3.611 50 0 DHAAHN Cc1ccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000025364512 182411054 /nfs/dbraw/zinc/41/10/54/182411054.db2.gz XEWPRUCKISEGNZ-MRXNPFEDSA-N 0 3 306.413 3.735 50 0 DHAAHN CC(C)c1ccc(CNC[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000040088600 183033096 /nfs/dbraw/zinc/03/30/96/183033096.db2.gz HWILNISDNPPRPU-GOSISDBHSA-N 0 3 305.368 3.911 50 0 DHAAHN c1[nH]nc(-c2cccnc2)c1CN[C@@H]1CCSc2ccccc21 ZINC000042956915 183322878 /nfs/dbraw/zinc/32/28/78/183322878.db2.gz MCQBCKCRZJMPCQ-MRXNPFEDSA-N 0 3 322.437 3.798 50 0 DHAAHN COc1cc(CN[C@H](C)c2ccc(C)cc2)cc(OC)c1OC ZINC000045098310 183481970 /nfs/dbraw/zinc/48/19/70/183481970.db2.gz WSPYZEAACKMKIH-CQSZACIVSA-N 0 3 315.413 3.872 50 0 DHAAHN c1ccc2oc([C@H]3CCCN(C[C@H]4CCCCO4)C3)nc2c1 ZINC000106747896 194248711 /nfs/dbraw/zinc/24/87/11/194248711.db2.gz PYEGMPUJZVMPGR-LSDHHAIUSA-N 0 3 300.402 3.576 50 0 DHAAHN Fc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1 ZINC000057354896 184035525 /nfs/dbraw/zinc/03/55/25/184035525.db2.gz CPKFHAICFRIVAT-UHFFFAOYSA-N 0 3 312.344 3.649 50 0 DHAAHN O=C(Nc1ccccc1)NC1CCN(Cc2cccs2)CC1 ZINC000057530815 184041583 /nfs/dbraw/zinc/04/15/83/184041583.db2.gz XTIVOKGOHASTPC-UHFFFAOYSA-N 0 3 315.442 3.534 50 0 DHAAHN CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccccc2CN(C)C)C1(C)C ZINC000058086862 184074010 /nfs/dbraw/zinc/07/40/10/184074010.db2.gz IZNOMXSITZRZIS-QZTJIDSGSA-N 0 3 314.473 3.603 50 0 DHAAHN Cn1cc(-c2nc(CN(C3CC3)C3CCCCC3)cs2)cn1 ZINC000060468421 184149992 /nfs/dbraw/zinc/14/99/92/184149992.db2.gz XNEUAUKUTMVAND-UHFFFAOYSA-N 0 3 316.474 3.841 50 0 DHAAHN Cc1cc(-n2nc(C(C)C)nc2[C@H](O)C2CCCCC2)ccn1 ZINC000065370636 184329213 /nfs/dbraw/zinc/32/92/13/184329213.db2.gz HLGSYLGMSVJKEQ-MRXNPFEDSA-N 0 3 314.433 3.708 50 0 DHAAHN COc1ccc(CN(C)[C@H](C)c2c(C)nn(C)c2C)c(C)c1C ZINC000065374951 184331488 /nfs/dbraw/zinc/33/14/88/184331488.db2.gz UQFFHGOVWIKXLZ-OAHLLOKOSA-N 0 3 315.461 3.855 50 0 DHAAHN c1cnn(-c2cccc(CN3CCC[C@H]3c3ccccn3)c2)c1 ZINC000065492305 184354175 /nfs/dbraw/zinc/35/41/75/184354175.db2.gz ZEJLJLYXMFZIBR-IBGZPJMESA-N 0 3 304.397 3.604 50 0 DHAAHN c1cnn(-c2cccc(CN3CCC[C@@H]3c3ccccn3)c2)c1 ZINC000065492308 184354523 /nfs/dbraw/zinc/35/45/23/184354523.db2.gz ZEJLJLYXMFZIBR-LJQANCHMSA-N 0 3 304.397 3.604 50 0 DHAAHN Cc1[nH]c2c(cccc2CN2CCC(c3ncon3)CC2)c1C ZINC000216473254 257273357 /nfs/dbraw/zinc/27/33/57/257273357.db2.gz NSCZQYFSMHUNGO-UHFFFAOYSA-N 0 3 310.401 3.547 50 0 DHAAHN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1Cl)[C@@H]1CCOC1 ZINC000521394534 257241061 /nfs/dbraw/zinc/24/10/61/257241061.db2.gz PJRCCRQYDWQHAA-KXUCPTDWSA-N 0 3 322.758 3.829 50 0 DHAAHN CN(C)CCN(C)C(=O)c1cccc(-c2ccc3occc3c2)c1 ZINC000426582940 257246034 /nfs/dbraw/zinc/24/60/34/257246034.db2.gz ZMFQFBUVKNBEGN-UHFFFAOYSA-N 0 3 322.408 3.733 50 0 DHAAHN COc1ccccc1[C@H](C)NCc1ccc(F)c(CN(C)C)c1 ZINC000095422495 262545653 /nfs/dbraw/zinc/54/56/53/262545653.db2.gz SCDNEGNOBNEELL-AWEZNQCLSA-N 0 3 316.420 3.747 50 0 DHAAHN COc1ccc([C@H](C)NCc2cccnc2C)c(C)c1OC ZINC000342309219 334527448 /nfs/dbraw/zinc/52/74/48/334527448.db2.gz TVFYFHPUUNSGFN-AWEZNQCLSA-N 0 3 300.402 3.566 50 0 DHAAHN CC1(C)C[C@H](O)CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000395308526 336091508 /nfs/dbraw/zinc/09/15/08/336091508.db2.gz FTFDOXAPVCGOQY-CYBMUJFWSA-N 0 3 301.352 3.688 50 0 DHAAHN COc1ccc(CN(CCO)Cc2ccccc2)c2ccccc12 ZINC000023281556 336387354 /nfs/dbraw/zinc/38/73/54/336387354.db2.gz SGXFFYXJQNQRIO-UHFFFAOYSA-N 0 3 321.420 3.843 50 0 DHAAHN CN(C)CCN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000022455707 336926253 /nfs/dbraw/zinc/92/62/53/336926253.db2.gz UPICVEZLTAOEQU-UHFFFAOYSA-N 0 3 304.384 3.529 50 0 DHAAHN FC(F)(F)c1cnc(N[C@@H]2CCN3CCCC[C@H]23)c(Cl)c1 ZINC000047975376 563692638 /nfs/dbraw/zinc/69/26/38/563692638.db2.gz MWUCWAYOQTVIDR-VXGBXAGGSA-N 0 3 319.758 3.793 50 0 DHAAHN CCC[C@@H](O)CN(CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097289 563893090 /nfs/dbraw/zinc/89/30/90/563893090.db2.gz PMOVTNFPCWBFTG-QGZVFWFLSA-N 0 3 323.477 3.713 50 0 DHAAHN COc1cc([C@H](C)N[C@H](C)[C@@H]2CCCO2)ccc1OC(F)F ZINC000095967291 563932956 /nfs/dbraw/zinc/93/29/56/563932956.db2.gz BYZNMDOTPVDFBT-LOWVWBTDSA-N 0 3 315.360 3.515 50 0 DHAAHN Nc1ncc(CN2CCC[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000670469749 563947110 /nfs/dbraw/zinc/94/71/10/563947110.db2.gz PPDCALCXYZAEPF-GFCCVEGCSA-N 0 3 307.850 3.758 50 0 DHAAHN CCc1nc(NN)c2c(n1)-c1ccccc1CC21CCCCC1 ZINC000001225883 563279923 /nfs/dbraw/zinc/27/99/23/563279923.db2.gz LPDPSTXCIVZYJU-UHFFFAOYSA-N 0 3 308.429 3.750 50 0 DHAAHN C[C@@H](CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000003683572 563325557 /nfs/dbraw/zinc/32/55/57/563325557.db2.gz CDARRQFNEBYXLP-KRWDZBQOSA-N 0 3 312.432 3.969 50 0 DHAAHN O=C(NCCN1CCCCC1)c1cccc(Oc2ccccc2)c1 ZINC000006742520 563333610 /nfs/dbraw/zinc/33/36/10/563333610.db2.gz VYBVFBRHHWUICH-UHFFFAOYSA-N 0 3 324.424 3.695 50 0 DHAAHN Cc1ccccc1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062786 563351110 /nfs/dbraw/zinc/35/11/10/563351110.db2.gz BSHKJWNWMRLFCI-UHFFFAOYSA-N 0 3 322.452 3.523 50 0 DHAAHN COc1cccc(CNC(C)C)c1OCc1ccc(F)cc1 ZINC000010435882 563356643 /nfs/dbraw/zinc/35/66/43/563356643.db2.gz HQFVTCGFXGFSAI-UHFFFAOYSA-N 0 3 303.377 3.911 50 0 DHAAHN C[C@H]1CCCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000010541734 563357516 /nfs/dbraw/zinc/35/75/16/563357516.db2.gz KEVKJVFCLJSKBX-INIZCTEOSA-N 0 3 300.446 3.545 50 0 DHAAHN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000012057678 563361109 /nfs/dbraw/zinc/36/11/09/563361109.db2.gz UUJPYPPQAVYTHG-MRXNPFEDSA-N 0 3 301.430 3.921 50 0 DHAAHN C/C=C(\C)CN1CCC[C@@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012094068 563361858 /nfs/dbraw/zinc/36/18/58/563361858.db2.gz OYSHLVZUYVDPDF-HQYNXSMWSA-N 0 3 317.429 3.565 50 0 DHAAHN CC(C)C(NC(=O)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000012382018 563367853 /nfs/dbraw/zinc/36/78/53/563367853.db2.gz DUXYIOFCVXJRNU-UHFFFAOYSA-N 0 3 316.489 3.695 50 0 DHAAHN COc1cccc(N2CCN(C[C@H](C)c3ccccc3)CC2)c1 ZINC000012383494 563368097 /nfs/dbraw/zinc/36/80/97/563368097.db2.gz BCWDVVXLIHDBGJ-KRWDZBQOSA-N 0 3 310.441 3.621 50 0 DHAAHN CC(=O)c1ccc(N2CCN([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000012385109 563368401 /nfs/dbraw/zinc/36/84/01/563368401.db2.gz GTTRUHLJEHMXKG-DNVCBOLYSA-N 0 3 300.446 3.590 50 0 DHAAHN CSCC[C@@H](N)c1nc2ccccc2n1Cc1ccccc1 ZINC000012602676 563371324 /nfs/dbraw/zinc/37/13/24/563371324.db2.gz JOVPURHSOZNSAD-OAHLLOKOSA-N 0 3 311.454 3.838 50 0 DHAAHN Oc1ccc(CN2CCC[C@H](Nc3cccc(F)c3)C2)cc1 ZINC000015079414 563406647 /nfs/dbraw/zinc/40/66/47/563406647.db2.gz BHAVIFYDZDEGDO-KRWDZBQOSA-N 0 3 300.377 3.608 50 0 DHAAHN Cc1ccc([C@H](CNC(=O)c2ccccc2)N2CCCC2)cc1 ZINC000027793177 563429868 /nfs/dbraw/zinc/42/98/68/563429868.db2.gz DORSJNADSFCFJJ-IBGZPJMESA-N 0 3 308.425 3.562 50 0 DHAAHN Clc1ccc(OCCOCCN2CCCCC2)c(Cl)c1 ZINC000002896387 563449667 /nfs/dbraw/zinc/44/96/67/563449667.db2.gz RCCDBSQLMMGVNJ-UHFFFAOYSA-N 0 3 318.244 3.875 50 0 DHAAHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nnc(Cc2ccccc2)o1 ZINC000071911980 563469158 /nfs/dbraw/zinc/46/91/58/563469158.db2.gz JMYNPIRIZRDSJX-OIISXLGYSA-N 0 3 311.429 3.813 50 0 DHAAHN CC[C@H](C)N(Cc1ccc(NC(C)=O)cc1)Cc1cccnc1 ZINC000055404427 563475238 /nfs/dbraw/zinc/47/52/38/563475238.db2.gz AMMBNWUKKTYDQV-HNNXBMFYSA-N 0 3 311.429 3.841 50 0 DHAAHN Cc1[nH]c2ccccc2c1CN1CCN(c2ccc(F)cc2)CC1 ZINC000055543385 563476603 /nfs/dbraw/zinc/47/66/03/563476603.db2.gz POSUDKVKSYHVKM-UHFFFAOYSA-N 0 3 323.415 3.938 50 0 DHAAHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 ZINC000058341683 563478775 /nfs/dbraw/zinc/47/87/75/563478775.db2.gz LPJFMUHRXHVPBO-SFHVURJKSA-N 0 3 316.489 3.938 50 0 DHAAHN C[C@@H](C(=O)N(Cc1cccs1)C1CC1)[C@H](N)c1ccccc1 ZINC000096467577 563483774 /nfs/dbraw/zinc/48/37/74/563483774.db2.gz AWRBBEVNXAUPRZ-DYVFJYSZSA-N 0 3 314.454 3.575 50 0 DHAAHN CN(CCc1nc2ccc(Cl)cc2[nH]1)CCC(F)(F)F ZINC000067674323 563488640 /nfs/dbraw/zinc/48/86/40/563488640.db2.gz WFVXYTQDEGUYBX-UHFFFAOYSA-N 0 3 305.731 3.643 50 0 DHAAHN OCc1ccccc1Oc1ccc(CN2CCCC2)cc1F ZINC000067654972 563488817 /nfs/dbraw/zinc/48/88/17/563488817.db2.gz ZEARHZGSLWDZHQ-UHFFFAOYSA-N 0 3 301.361 3.706 50 0 DHAAHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccccc1-c1ccccc1 ZINC000067771191 563490450 /nfs/dbraw/zinc/49/04/50/563490450.db2.gz MQDMFVFAOQUSSZ-KRWDZBQOSA-N 0 3 322.452 3.767 50 0 DHAAHN C[C@@]1(C(c2ccccc2)c2ccccc2)NCCc2nc[nH]c21 ZINC000067842452 563492681 /nfs/dbraw/zinc/49/26/81/563492681.db2.gz NEKRMRIRZFNVPJ-FQEVSTJZSA-N 0 3 303.409 3.603 50 0 DHAAHN CC(C)=CC(=O)NC[C@H]1CCCN(Cc2ccc(C)c(C)c2)C1 ZINC000067872107 563493465 /nfs/dbraw/zinc/49/34/65/563493465.db2.gz ZQTVJNKCFJBLAV-LJQANCHMSA-N 0 3 314.473 3.598 50 0 DHAAHN COc1cccc(C[C@@H](C)NCc2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000067982107 563494818 /nfs/dbraw/zinc/49/48/18/563494818.db2.gz AOQVSGGXACTGSD-OAHLLOKOSA-N 0 3 323.440 3.909 50 0 DHAAHN Fc1ccc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000072408622 563503274 /nfs/dbraw/zinc/50/32/74/563503274.db2.gz KJVZXSNCRUPDHD-NRFANRHFSA-N 0 3 324.443 3.501 50 0 DHAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccncc2)cc1 ZINC000077518410 563511526 /nfs/dbraw/zinc/51/15/26/563511526.db2.gz PXPMBLVRLGPVBC-IBGZPJMESA-N 0 3 323.440 3.511 50 0 DHAAHN CCN(CC)[C@@H](CNc1nc(C)cc(C)n1)c1ccsc1 ZINC000097286641 563515598 /nfs/dbraw/zinc/51/55/98/563515598.db2.gz UVWZGQXYVLOAJZ-HNNXBMFYSA-N 0 3 304.463 3.650 50 0 DHAAHN Cc1cc(N2CCC[C@H](c3nccn3C)C2)c2ccccc2n1 ZINC000082087693 563518690 /nfs/dbraw/zinc/51/86/90/563518690.db2.gz ZEEOEGLKUISJFY-HNNXBMFYSA-N 0 3 306.413 3.661 50 0 DHAAHN C[C@H](c1ccccc1)N1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000096024986 563531522 /nfs/dbraw/zinc/53/15/22/563531522.db2.gz SCBZIRLPWKMXGG-DJIMGWMZSA-N 0 3 316.445 3.689 50 0 DHAAHN c1ccc(N2CCN(Cc3cccc4ccccc43)CC2)nc1 ZINC000000206905 563578026 /nfs/dbraw/zinc/57/80/26/563578026.db2.gz FVXYIDIDZZMWAZ-UHFFFAOYSA-N 0 3 303.409 3.557 50 0 DHAAHN CC[C@H](C)N(Cc1ccc(C)o1)C[C@@H](O)COc1ccccc1 ZINC000169679265 563647217 /nfs/dbraw/zinc/64/72/17/563647217.db2.gz CQJRVHSQODLXPZ-DOTOQJQBSA-N 0 3 317.429 3.628 50 0 DHAAHN CC(C)C(=O)N1CC[C@H](N[C@H](C)c2cc(F)ccc2F)[C@H](C)C1 ZINC000107058497 563682729 /nfs/dbraw/zinc/68/27/29/563682729.db2.gz AESHEFFZZCIMHS-XNJGSVPQSA-N 0 3 324.415 3.508 50 0 DHAAHN FC(F)(F)[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000048310015 563695777 /nfs/dbraw/zinc/69/57/77/563695777.db2.gz QIVCHQICYGERAD-AWEZNQCLSA-N 0 3 309.335 3.647 50 0 DHAAHN Cc1cc([C@H](C)NCc2cnc3n[nH]c(C)c3c2)c(C)s1 ZINC000048355074 563697621 /nfs/dbraw/zinc/69/76/21/563697621.db2.gz KMLQOSMYZLJILO-JTQLQIEISA-N 0 3 300.431 3.795 50 0 DHAAHN CCOc1ccc(-c2ccc(CN3CC[C@H](COC)C3)o2)cc1 ZINC000215734502 563706941 /nfs/dbraw/zinc/70/69/41/563706941.db2.gz FGZGADQLFROULV-HNNXBMFYSA-N 0 3 315.413 3.814 50 0 DHAAHN CCCCNCc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248218901 563782876 /nfs/dbraw/zinc/78/28/76/563782876.db2.gz HGVLFLMXSLDGHB-UHFFFAOYSA-N 0 3 320.440 3.883 50 0 DHAAHN Cc1nc(N)nc(N)c1/C=C\[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000211039123 563785043 /nfs/dbraw/zinc/78/50/43/563785043.db2.gz KXBLWJBWPHUIPI-PTDYZRSTSA-N 0 3 322.334 3.785 50 0 DHAAHN CN(CCCS(=O)(=O)c1ccccc1)C1CCCCCCC1 ZINC000083860851 563813565 /nfs/dbraw/zinc/81/35/65/563813565.db2.gz CVEROFJVQPSZQV-UHFFFAOYSA-N 0 3 323.502 3.895 50 0 DHAAHN c1cc(-c2noc(CN3CCC[C@@H]4CCCC[C@@H]43)n2)cs1 ZINC000012739579 563818498 /nfs/dbraw/zinc/81/84/98/563818498.db2.gz LUWLQDIYACZGME-JSGCOSHPSA-N 0 3 303.431 3.953 50 0 DHAAHN CC[C@H](C(=O)Nc1ccc2c3c(cccc31)CC2)N(CC)CC ZINC000084718768 563830713 /nfs/dbraw/zinc/83/07/13/563830713.db2.gz TVIOEDGEZWCMPA-GOSISDBHSA-N 0 3 310.441 3.997 50 0 DHAAHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)[C@H]2COc3ccccc32)c1 ZINC000241707029 563880736 /nfs/dbraw/zinc/88/07/36/563880736.db2.gz QMCFYAZVLOMJEV-IQUTYRLHSA-N 0 3 324.424 3.860 50 0 DHAAHN Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000241383096 563880843 /nfs/dbraw/zinc/88/08/43/563880843.db2.gz MSNKOFCRZPUSKV-ULQDDVLXSA-N 0 3 300.446 3.834 50 0 DHAAHN O[C@@H](CN[C@@H]1CCCNc2ccccc21)c1ccc(Cl)s1 ZINC000192914165 563901270 /nfs/dbraw/zinc/90/12/70/563901270.db2.gz ZHCBFOCLKKRBRN-KGLIPLIRSA-N 0 3 322.861 3.972 50 0 DHAAHN c1ccc2c(c1)NCCC[C@@H]2NCc1ccnc(N2CCCC2)c1 ZINC000170085034 563903651 /nfs/dbraw/zinc/90/36/51/563903651.db2.gz HMKVGAMGARCQIW-IBGZPJMESA-N 0 3 322.456 3.718 50 0 DHAAHN Cc1c2ccccc2oc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000007437448 563906345 /nfs/dbraw/zinc/90/63/45/563906345.db2.gz JRHWJWDLYXRCJS-UHFFFAOYSA-N 0 3 322.408 3.733 50 0 DHAAHN Cc1ccc([C@H](C)NCCCC(=O)N2Cc3ccccc3C2)o1 ZINC000089596799 563910717 /nfs/dbraw/zinc/91/07/17/563910717.db2.gz MVPSJEULUWTIDZ-HNNXBMFYSA-N 0 3 312.413 3.561 50 0 DHAAHN c1nc(-c2cccc(CN[C@H]3CCSc4ccccc43)c2)n[nH]1 ZINC000089730874 563911033 /nfs/dbraw/zinc/91/10/33/563911033.db2.gz BXAZTNFUQIWDLW-INIZCTEOSA-N 0 3 322.437 3.798 50 0 DHAAHN COc1ccc([C@@H](C)NCc2ccco2)cc1CN1CCCC1 ZINC000089904659 563912199 /nfs/dbraw/zinc/91/21/99/563912199.db2.gz RMAGTMVYKSHROA-OAHLLOKOSA-N 0 3 314.429 3.735 50 0 DHAAHN COc1ccc([C@@H]2C[C@H](C)N(Cc3nc(C)c(C)o3)C2)cc1 ZINC000076391567 563912733 /nfs/dbraw/zinc/91/27/33/563912733.db2.gz BYBMAZJWTHVUAJ-BLLLJJGKSA-N 0 3 300.402 3.678 50 0 DHAAHN C[C@@H](c1cccnc1)N(C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000195561947 563919851 /nfs/dbraw/zinc/91/98/51/563919851.db2.gz QHEFRYXQEQFSTI-HNNXBMFYSA-N 0 3 306.413 3.675 50 0 DHAAHN CNCc1ccccc1OCc1ccc(Br)cc1F ZINC000037702489 563920058 /nfs/dbraw/zinc/92/00/58/563920058.db2.gz UUBCGRBTGAGJKC-UHFFFAOYSA-N 0 3 324.193 3.887 50 0 DHAAHN O=C(c1ccco1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000106638374 563926313 /nfs/dbraw/zinc/92/63/13/563926313.db2.gz LOJONMJJVHHNAE-QZTJIDSGSA-N 0 3 324.424 3.549 50 0 DHAAHN O=C(c1ccoc1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000106638382 563926333 /nfs/dbraw/zinc/92/63/33/563926333.db2.gz YTUUAGUYVVANQS-RBUKOAKNSA-N 0 3 324.424 3.549 50 0 DHAAHN c1ccc(N2CCN(Cc3ccnc4ccccc34)CC2)cc1 ZINC000055291890 563928486 /nfs/dbraw/zinc/92/84/86/563928486.db2.gz HRCITNWLOQMDGX-UHFFFAOYSA-N 0 3 303.409 3.557 50 0 DHAAHN C[C@@H](NCc1cc2ccccc2o1)c1cccc(-n2cncn2)c1 ZINC000080241163 563930975 /nfs/dbraw/zinc/93/09/75/563930975.db2.gz NWSQUTQMTFAKME-CQSZACIVSA-N 0 3 318.380 3.864 50 0 DHAAHN C[C@H](NC[C@H]1Cc2ccccc2O1)c1ccc2ccccc2n1 ZINC000095967212 563932975 /nfs/dbraw/zinc/93/29/75/563932975.db2.gz FRBYESYGQUPTHL-WMLDXEAASA-N 0 3 304.393 3.889 50 0 DHAAHN CNCc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000095971499 563933350 /nfs/dbraw/zinc/93/33/50/563933350.db2.gz GJVIRSGHYCISFZ-HZPDHXFCSA-N 0 3 314.816 3.802 50 0 DHAAHN Cc1cccc([C@@H](NCc2cc(=O)c(O)co2)C(C)(C)C)c1 ZINC000095985705 563934215 /nfs/dbraw/zinc/93/42/15/563934215.db2.gz FXKRVDRWQUQBPL-QGZVFWFLSA-N 0 3 301.386 3.531 50 0 DHAAHN Cc1cnc([C@H](C)N[C@H]2CN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000096003610 563934566 /nfs/dbraw/zinc/93/45/66/563934566.db2.gz QHFJXWAANOXMLX-DOTOQJQBSA-N 0 3 313.445 3.687 50 0 DHAAHN Cn1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000057394936 563941400 /nfs/dbraw/zinc/94/14/00/563941400.db2.gz MOQCKKLCFQKGQK-UHFFFAOYSA-N 0 3 305.425 3.501 50 0 DHAAHN COc1cccc(NC(=O)[C@H](NC2CCCC2)c2ccccc2)c1 ZINC000003386155 563943837 /nfs/dbraw/zinc/94/38/37/563943837.db2.gz IDMZMCJIJIJDQE-LJQANCHMSA-N 0 3 324.424 3.907 50 0 DHAAHN CC[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCCC1 ZINC000031229416 563944394 /nfs/dbraw/zinc/94/43/94/563944394.db2.gz QQDZMUSVDPLWST-FQEVSTJZSA-N 0 3 322.452 3.958 50 0 DHAAHN CO[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cnc(-c2cccc(C)c2)nc1 ZINC000670452709 563944544 /nfs/dbraw/zinc/94/45/44/563944544.db2.gz UFBMLJTVHGRNRZ-BWTSREIZSA-N 0 3 323.440 3.594 50 0 DHAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2cc(-c3ccccc3)no2)c1 ZINC000069520679 563953145 /nfs/dbraw/zinc/95/31/45/563953145.db2.gz DDRSUZLRZIGMMB-CABCVRRESA-N 0 3 310.401 3.586 50 0 DHAAHN CN(CC1CCN(C)CC1)C(=O)Nc1ccc2sccc2c1 ZINC000069509837 563953284 /nfs/dbraw/zinc/95/32/84/563953284.db2.gz KCSMNLXJDOEPCY-UHFFFAOYSA-N 0 3 317.458 3.707 50 0 DHAAHN CCCCc1cc(=O)[n-]c(-c2ccc(C[NH+](CC)CC)cc2)n1 ZINC000048179129 568413124 /nfs/dbraw/zinc/41/31/24/568413124.db2.gz FBWLXAXRQJJWDY-UHFFFAOYSA-N 0 3 313.445 3.621 50 0 DHAAHN Cc1cccc(Cl)c1NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000097095247 568413568 /nfs/dbraw/zinc/41/35/68/568413568.db2.gz UABMCAFNKFCCLR-DZGCQCFKSA-N 0 3 321.852 3.596 50 0 DHAAHN O=C1CCCN1Cc1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000192664429 1032510904 /nfs/dbraw/zinc/51/09/04/1032510904.db2.gz NHICHJFLSUGJTN-SFHVURJKSA-N 0 3 324.424 3.569 50 0 DHAAHN Cc1ccc(-c2ncc(CN3CC[C@H](CO)C[C@@H]3C)s2)cc1 ZINC000952846091 1032664953 /nfs/dbraw/zinc/66/49/53/1032664953.db2.gz ANQOWHPNQGSODB-GJZGRUSLSA-N 0 3 316.470 3.711 50 0 DHAAHN Cc1nccn1CC[C@@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000821758589 1020273564 /nfs/dbraw/zinc/27/35/64/1020273564.db2.gz LOELPUIUBNCTGR-CQSZACIVSA-N 0 3 308.429 3.510 50 0 DHAAHN CN(Cc1ccccc1C(F)(F)F)C[C@@H](O)c1ccccc1 ZINC000023281076 1020473052 /nfs/dbraw/zinc/47/30/52/1020473052.db2.gz BZPRPXJRGVZBOU-MRXNPFEDSA-N 0 3 309.331 3.871 50 0 DHAAHN Fc1ccc2nc(C3CCN(Cc4nccs4)CC3)[nH]c2c1 ZINC000215897384 1024528707 /nfs/dbraw/zinc/52/87/07/1024528707.db2.gz ZSFVEJKKHJSDTN-UHFFFAOYSA-N 0 3 316.405 3.538 50 0 DHAAHN Cc1n[nH]c(C)c1CN1CCC2(CC1)c1ccccc1N=C2C ZINC000585117131 1029780133 /nfs/dbraw/zinc/78/01/33/1029780133.db2.gz RONHURRDPMCEGC-UHFFFAOYSA-N 0 3 308.429 3.666 50 0 DHAAHN CCNc1ccnc(CN(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000089977921 185273354 /nfs/dbraw/zinc/27/33/54/185273354.db2.gz JEALVYMEQKGOQV-GFCCVEGCSA-N 0 3 305.372 3.985 50 0 DHAAHN CC(=O)Nc1ccc(CNc2ccc(C)cc2CN(C)C)cc1 ZINC000095429107 185362512 /nfs/dbraw/zinc/36/25/12/185362512.db2.gz JOAASKSRRLQUOW-UHFFFAOYSA-N 0 3 311.429 3.627 50 0 DHAAHN Clc1cccc(CNc2cnn(CCN3CCCCC3)c2)c1 ZINC000095462163 185371025 /nfs/dbraw/zinc/37/10/25/185371025.db2.gz DNHKPGXGNXTIPI-UHFFFAOYSA-N 0 3 318.852 3.635 50 0 DHAAHN COc1ccc(C[C@@H](C)N[C@H](C)c2ncc(C)s2)cc1OC ZINC000097017229 185397682 /nfs/dbraw/zinc/39/76/82/185397682.db2.gz YCFROBBDZUUCHR-DGCLKSJQSA-N 0 3 320.458 3.751 50 0 DHAAHN C(=C/c1ccccc1)\CN1CCN(CCCc2ccccc2)CC1 ZINC000022578835 190647660 /nfs/dbraw/zinc/64/76/60/190647660.db2.gz ADRMEFKTOGZSDK-NTUHNPAUSA-N 0 3 320.480 3.950 50 0 DHAAHN CC(C)(C)c1cc(CN2CC[C@H](c3ccccc3F)C2)n[nH]1 ZINC000072425140 191159635 /nfs/dbraw/zinc/15/96/35/191159635.db2.gz CSDHAFIIAANBKK-ZDUSSCGKSA-N 0 3 301.409 3.836 50 0 DHAAHN Cc1cc(OC[C@H](O)CN[C@H](C)c2ccccc2)ccc1Cl ZINC000001469931 180868630 /nfs/dbraw/zinc/86/86/30/180868630.db2.gz COZCCBGXWRWDCY-GDBMZVCRSA-N 0 3 319.832 3.739 50 0 DHAAHN Cc1nccn1CC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000090472865 563524931 /nfs/dbraw/zinc/52/49/31/563524931.db2.gz AHLUVPWYZNOHQB-UHFFFAOYSA-N 0 3 303.837 3.757 50 0 DHAAHN COc1ccc(-c2cc(NCCN(C)C)c3ccccc3n2)cc1 ZINC000004542556 181122411 /nfs/dbraw/zinc/12/24/11/181122411.db2.gz DPIXUMPQZPSUKL-UHFFFAOYSA-N 0 3 321.424 3.884 50 0 DHAAHN CC[C@@H](C)NC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000004680433 181135763 /nfs/dbraw/zinc/13/57/63/181135763.db2.gz VPKUVLLRZBDQEJ-MRXNPFEDSA-N 0 3 316.489 3.937 50 0 DHAAHN CN(CCOC(=O)Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000004755796 181148783 /nfs/dbraw/zinc/14/87/83/181148783.db2.gz NGNVRGGBWVDJMS-UHFFFAOYSA-N 0 3 317.816 3.558 50 0 DHAAHN CN(CCOC(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000004755671 181149264 /nfs/dbraw/zinc/14/92/64/181149264.db2.gz QYDJSNQJXABCPU-UHFFFAOYSA-N 0 3 303.789 3.629 50 0 DHAAHN Cc1nn(C)cc1[C@@H](C)NCC1=Cc2cc(Cl)ccc2OC1 ZINC000237424807 202261818 /nfs/dbraw/zinc/26/18/18/202261818.db2.gz AXKSFGFQDFPELN-LLVKDONJSA-N 0 3 317.820 3.509 50 0 DHAAHN Cc1cc(C)cc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000006726450 181378002 /nfs/dbraw/zinc/37/80/02/181378002.db2.gz PPBYSLGUGVOLEI-UHFFFAOYSA-N 0 3 315.461 3.786 50 0 DHAAHN C[C@H](Cc1ccsc1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000093705848 193295189 /nfs/dbraw/zinc/29/51/89/193295189.db2.gz QXRXJSRWRGQYQC-ZUOKHONESA-N 0 3 307.484 3.549 50 0 DHAAHN O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCCC2)cc1 ZINC000010368162 181667898 /nfs/dbraw/zinc/66/78/98/181667898.db2.gz ZXVMMTWDUGGOJA-UHFFFAOYSA-N 0 3 316.351 3.813 50 0 DHAAHN Cc1cc(C)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000015582497 182008419 /nfs/dbraw/zinc/00/84/19/182008419.db2.gz JHVHIHSXNUXMII-UHFFFAOYSA-N 0 3 322.452 3.698 50 0 DHAAHN Cc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000019537672 182128926 /nfs/dbraw/zinc/12/89/26/182128926.db2.gz DFOOSEXUUKKUER-YRNVUSSQSA-N 0 3 306.453 3.826 50 0 DHAAHN COc1cccc(CCNCc2ccccc2Br)c1 ZINC000019720733 182138496 /nfs/dbraw/zinc/13/84/96/182138496.db2.gz CZICTWKATBXFHD-UHFFFAOYSA-N 0 3 320.230 3.790 50 0 DHAAHN CCc1ccc(CN2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000019842398 182155973 /nfs/dbraw/zinc/15/59/73/182155973.db2.gz UNEQEEVPWCOSSZ-UHFFFAOYSA-N 0 3 300.490 3.945 50 0 DHAAHN O[C@@H](CNCc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000019872430 182159268 /nfs/dbraw/zinc/15/92/68/182159268.db2.gz HMOCHMXWHVTYHE-SFHVURJKSA-N 0 3 311.356 3.909 50 0 DHAAHN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)NCC2 ZINC000020010341 182177289 /nfs/dbraw/zinc/17/72/89/182177289.db2.gz NYOFLAMHIMULAO-QGZVFWFLSA-N 0 3 303.789 3.592 50 0 DHAAHN COc1cccc2c1OC[C@@H](NCc1cc3ccccc3o1)C2 ZINC000020514795 182226890 /nfs/dbraw/zinc/22/68/90/182226890.db2.gz AZPSQKUNHQZFNF-HNNXBMFYSA-N 0 3 309.365 3.535 50 0 DHAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccccc1 ZINC000021835787 182293998 /nfs/dbraw/zinc/29/39/98/182293998.db2.gz DELKOEVEBHZOAH-HNNXBMFYSA-N 0 3 315.442 3.707 50 0 DHAAHN Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1C ZINC000022463304 182321943 /nfs/dbraw/zinc/32/19/43/182321943.db2.gz BRSGPNFMXHZYJV-HXUWFJFHSA-N 0 3 322.452 3.870 50 0 DHAAHN CCN(Cc1csc(-c2ncccn2)n1)C1CCCCC1 ZINC000051857854 183839820 /nfs/dbraw/zinc/83/98/20/183839820.db2.gz JIVLBYJLPCTMQT-UHFFFAOYSA-N 0 3 302.447 3.755 50 0 DHAAHN CN(C)CCN(CC1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000058147188 184081164 /nfs/dbraw/zinc/08/11/64/184081164.db2.gz SPFWGPUZCZEHHP-UHFFFAOYSA-N 0 3 321.440 3.802 50 0 DHAAHN C[C@H](CCN1CCCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000065394448 184334917 /nfs/dbraw/zinc/33/49/17/184334917.db2.gz PJNJIJJURXAKDB-QGZVFWFLSA-N 0 3 314.473 3.515 50 0 DHAAHN CCOc1cccc(CN(Cc2cccc3nonc32)C2CC2)c1 ZINC000065432623 184344359 /nfs/dbraw/zinc/34/43/59/184344359.db2.gz ZHGNYZDXVPHKHY-UHFFFAOYSA-N 0 3 323.396 3.786 50 0 DHAAHN COCc1cc(CN[C@H](C)c2ccc3c(c2)OCO3)ccc1F ZINC000095422714 257211361 /nfs/dbraw/zinc/21/13/61/257211361.db2.gz JVEIYRQRVXBXRH-GFCCVEGCSA-N 0 3 317.360 3.552 50 0 DHAAHN Cc1ccc(CN(C(=O)CN(C)[C@H]2CCCC[C@H]2C)C2CC2)o1 ZINC000253630054 257257881 /nfs/dbraw/zinc/25/78/81/257257881.db2.gz MOMNAZHJXDUYNN-KDOFPFPSSA-N 0 3 318.461 3.590 50 0 DHAAHN Cc1nccn1C[C@@H]1CCCN1Cc1cc(-c2ccccc2)on1 ZINC000284950486 131125238 /nfs/dbraw/zinc/12/52/38/131125238.db2.gz JBNYXUUGYQFKQL-SFHVURJKSA-N 0 3 322.412 3.511 50 0 DHAAHN CC[C@@H](NC1CCN(Cc2ccco2)CC1)c1ncccc1C ZINC000534670120 334320052 /nfs/dbraw/zinc/32/00/52/334320052.db2.gz LINDCRAPRZJWQS-GOSISDBHSA-N 0 3 313.445 3.688 50 0 DHAAHN Nc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)ccn1 ZINC000191609730 527450783 /nfs/dbraw/zinc/45/07/83/527450783.db2.gz NVBMEHJYMHHABG-MRXNPFEDSA-N 0 3 321.346 3.924 50 0 DHAAHN CCN(CC)CCOC(=O)[C@@H](c1cccs1)[C@H]1C=CCC1 ZINC000002039597 563798073 /nfs/dbraw/zinc/79/80/73/563798073.db2.gz PAQHBGYZMGCRMG-GOEBONIOSA-N 0 3 307.459 3.683 50 0 DHAAHN Clc1ccc(Oc2ccccc2CN2CCCCC2)nn1 ZINC000067787440 563490341 /nfs/dbraw/zinc/49/03/41/563490341.db2.gz FZYRJENBSSUMSY-UHFFFAOYSA-N 0 3 303.793 3.908 50 0 DHAAHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H]1CCCSC1 ZINC000097371191 563336773 /nfs/dbraw/zinc/33/67/73/563336773.db2.gz IMQDRVVRPTXCGC-BXKDBHETSA-N 0 3 321.412 3.608 50 0 DHAAHN Cc1ccc(C(C)C)c(OC[C@H](O)CNCc2ccccc2)c1 ZINC000009970622 563355064 /nfs/dbraw/zinc/35/50/64/563355064.db2.gz OETPTNXLMHOFES-GOSISDBHSA-N 0 3 313.441 3.648 50 0 DHAAHN CCOc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000010295045 563355954 /nfs/dbraw/zinc/35/59/54/563355954.db2.gz GTPMTOFNIJDVJC-UHFFFAOYSA-N 0 3 324.424 3.933 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000012300296 563365703 /nfs/dbraw/zinc/36/57/03/563365703.db2.gz NUIUWKDOANKWRK-CQSZACIVSA-N 0 3 319.399 3.841 50 0 DHAAHN C[C@@H]1CCCCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000013135394 563378890 /nfs/dbraw/zinc/37/88/90/563378890.db2.gz SZXXXOBSIGXURT-DGCLKSJQSA-N 0 3 318.244 3.608 50 0 DHAAHN Cn1cc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 ZINC000014981256 563404650 /nfs/dbraw/zinc/40/46/50/563404650.db2.gz UDZBNUCESCELSC-AWEZNQCLSA-N 0 3 319.399 3.543 50 0 DHAAHN COc1cccc(CC[C@H]2CCCN(Cc3[nH]cnc3C)C2)c1 ZINC000015064174 563406011 /nfs/dbraw/zinc/40/60/11/563406011.db2.gz KCQPXDPKKBRIMQ-QGZVFWFLSA-N 0 3 313.445 3.572 50 0 DHAAHN c1coc(-c2nnc(CN3CCC[C@H]3Cc3ccccc3)o2)c1 ZINC000025358652 563422876 /nfs/dbraw/zinc/42/28/76/563422876.db2.gz GXGJTOAHVKMGDA-HNNXBMFYSA-N 0 3 309.369 3.537 50 0 DHAAHN Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1 ZINC000027793202 563429980 /nfs/dbraw/zinc/42/99/80/563429980.db2.gz FPQOMHUFMBYCHS-HXUWFJFHSA-N 0 3 322.452 3.870 50 0 DHAAHN Cc1ccc([C@H](CNC(=O)c2ccccc2C)N2CCCC2)cc1 ZINC000027793199 563430068 /nfs/dbraw/zinc/43/00/68/563430068.db2.gz WKQFZTLWDQLJQK-FQEVSTJZSA-N 0 3 322.452 3.870 50 0 DHAAHN C[C@@H](CNCc1cccc(Cl)c1Cl)Oc1ccccn1 ZINC000035287333 563452767 /nfs/dbraw/zinc/45/27/67/563452767.db2.gz QLIXCNJLFQTWCT-NSHDSACASA-N 0 3 311.212 3.946 50 0 DHAAHN CCCCCN(C)c1ccc(F)cc1CNC1CCC(O)CC1 ZINC000072312283 563464981 /nfs/dbraw/zinc/46/49/81/563464981.db2.gz CKGSKWFJDUGRCD-UHFFFAOYSA-N 0 3 322.468 3.845 50 0 DHAAHN CC(C)CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccccn1 ZINC000055042679 563471131 /nfs/dbraw/zinc/47/11/31/563471131.db2.gz URPWHTVYGPPSPL-UHFFFAOYSA-N 0 3 300.450 3.760 50 0 DHAAHN COCCN(Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000055393334 563475705 /nfs/dbraw/zinc/47/57/05/563475705.db2.gz GUOQAAYBYYRIKX-UHFFFAOYSA-N 0 3 300.427 3.878 50 0 DHAAHN C[C@H](CCc1c[nH]c2ccccc12)NCc1cn2ccccc2n1 ZINC000067884508 563492940 /nfs/dbraw/zinc/49/29/40/563492940.db2.gz UOCURWNOQYWBKS-OAHLLOKOSA-N 0 3 318.424 3.927 50 0 DHAAHN CCOc1cc2c(cc1OC)[C@@H](c1ccc(CC)cc1)NCC2 ZINC000000034544 563506386 /nfs/dbraw/zinc/50/63/86/563506386.db2.gz OTMQDDADWVCUJS-HXUWFJFHSA-N 0 3 311.425 3.891 50 0 biogenic DHAAHN Clc1nc(N2CCN(C3CCCC3)CC2)cc2ccccc21 ZINC000023079850 563508563 /nfs/dbraw/zinc/50/85/63/563508563.db2.gz FVFLYILIQAUZBE-UHFFFAOYSA-N 0 3 315.848 3.953 50 0 DHAAHN CCc1c[nH]nc1C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000077459532 563510944 /nfs/dbraw/zinc/51/09/44/563510944.db2.gz IFIURPSEEZZBMZ-UHFFFAOYSA-N 0 3 320.440 3.900 50 0 DHAAHN Cc1nccn1CC1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000097307096 563538737 /nfs/dbraw/zinc/53/87/37/563538737.db2.gz JRQMJRCYWKWUAI-UHFFFAOYSA-N 0 3 321.827 3.896 50 0 DHAAHN Cc1cc(-c2nc3c([nH]2)CNCC3)ccc1OCc1ccccc1 ZINC000097772876 563542811 /nfs/dbraw/zinc/54/28/11/563542811.db2.gz DNEXWUFADHCNIW-UHFFFAOYSA-N 0 3 319.408 3.610 50 0 DHAAHN COCCNCc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247949830 563605990 /nfs/dbraw/zinc/60/59/90/563605990.db2.gz YAIKIPVWCUPJFB-UHFFFAOYSA-N 0 3 308.425 3.734 50 0 DHAAHN CN1CCCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000180667258 563645788 /nfs/dbraw/zinc/64/57/88/563645788.db2.gz LIUJWFOSNJRDPK-UHFFFAOYSA-N 0 3 315.442 3.585 50 0 DHAAHN CCCCCNC(=O)C1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000045944983 563691343 /nfs/dbraw/zinc/69/13/43/563691343.db2.gz MLVFUTYDYKNMRA-OAHLLOKOSA-N 0 3 320.452 3.905 50 0 DHAAHN CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1cccc(C)c1 ZINC000048326541 563696528 /nfs/dbraw/zinc/69/65/28/563696528.db2.gz IBOBGBNMCGIYMT-RBUKOAKNSA-N 0 3 314.473 3.923 50 0 DHAAHN Cc1[nH]c2c(cccc2CN2CCN(c3ccncc3)CC2)c1C ZINC000215102361 563704097 /nfs/dbraw/zinc/70/40/97/563704097.db2.gz WWHZJJGLZYKVJQ-UHFFFAOYSA-N 0 3 320.440 3.502 50 0 DHAAHN Cc1n[nH]c(C)c1CCN(C)Cc1ccc([C@H]2CCCCO2)o1 ZINC000215181481 563704400 /nfs/dbraw/zinc/70/44/00/563704400.db2.gz BLALFQKWWRWGGB-QGZVFWFLSA-N 0 3 317.433 3.536 50 0 DHAAHN Fc1ccc(/C=C/CN2CCC(CCn3cccn3)CC2)cc1 ZINC000215476124 563705385 /nfs/dbraw/zinc/70/53/85/563705385.db2.gz CCVGYVJTNRZZDP-HNQUOIGGSA-N 0 3 313.420 3.838 50 0 DHAAHN Cc1cc(CN2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)on1 ZINC000215529015 563706147 /nfs/dbraw/zinc/70/61/47/563706147.db2.gz OAQNOZUOTLJFCS-CQSZACIVSA-N 0 3 310.401 3.547 50 0 DHAAHN Cc1cc(CN2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)on1 ZINC000215529015 563706149 /nfs/dbraw/zinc/70/61/49/563706149.db2.gz OAQNOZUOTLJFCS-CQSZACIVSA-N 0 3 310.401 3.547 50 0 DHAAHN C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000012553172 563801299 /nfs/dbraw/zinc/80/12/99/563801299.db2.gz VMZOXZLEGDCPIP-BZNIZROVSA-N 0 3 316.351 3.569 50 0 DHAAHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000012676637 563809081 /nfs/dbraw/zinc/80/90/81/563809081.db2.gz VTEDKHOLAQXKLU-KUHUBIRLSA-N 0 3 324.424 3.763 50 0 DHAAHN c1cc(-c2noc(CN3CCC[C@H]4CCCC[C@@H]43)n2)cs1 ZINC000012739583 563818863 /nfs/dbraw/zinc/81/88/63/563818863.db2.gz LUWLQDIYACZGME-OCCSQVGLSA-N 0 3 303.431 3.953 50 0 DHAAHN OCC1CCN(Cc2cccc(NCc3ccsc3)c2)CC1 ZINC000084374483 563826123 /nfs/dbraw/zinc/82/61/23/563826123.db2.gz KYZIWEDGRATOED-UHFFFAOYSA-N 0 3 316.470 3.565 50 0 DHAAHN O=C(CN1CCC[C@@H]1c1cccc2ccccc21)N1CCCC1 ZINC000084598323 563828168 /nfs/dbraw/zinc/82/81/68/563828168.db2.gz NNHFZAOLLIMRMH-LJQANCHMSA-N 0 3 308.425 3.599 50 0 DHAAHN O=C(CN1CCC[C@H]1c1cccc2ccccc21)N1CCCC1 ZINC000084598321 563828518 /nfs/dbraw/zinc/82/85/18/563828518.db2.gz NNHFZAOLLIMRMH-IBGZPJMESA-N 0 3 308.425 3.599 50 0 DHAAHN OCC1CCN(Cc2ccccc2NCc2cccs2)CC1 ZINC000086257952 563844790 /nfs/dbraw/zinc/84/47/90/563844790.db2.gz FFAMRYFSUJQIPJ-UHFFFAOYSA-N 0 3 316.470 3.565 50 0 DHAAHN c1ccc2oc([C@@H]3CCCN(C[C@H]4CCCCO4)C3)nc2c1 ZINC000241657654 563880725 /nfs/dbraw/zinc/88/07/25/563880725.db2.gz PYEGMPUJZVMPGR-HUUCEWRRSA-N 0 3 300.402 3.576 50 0 DHAAHN Cc1ccc(NC(=O)[C@H](C)N2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000241383095 563880783 /nfs/dbraw/zinc/88/07/83/563880783.db2.gz MSNKOFCRZPUSKV-BBWFWOEESA-N 0 3 300.446 3.834 50 0 DHAAHN Cc1cc(-n2ccnc2)ccc1CN(C)[C@H](C)c1ccccn1 ZINC000192135490 563885540 /nfs/dbraw/zinc/88/55/40/563885540.db2.gz DVGRNXNBNLRHNZ-MRXNPFEDSA-N 0 3 306.413 3.769 50 0 DHAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCCC2 ZINC000006992825 563900936 /nfs/dbraw/zinc/90/09/36/563900936.db2.gz DBWQJNGALZSGAX-UHFFFAOYSA-N 0 3 322.452 3.557 50 0 DHAAHN CN(C)c1ccccc1CNCc1cccn1Cc1ccccc1 ZINC000076020657 563911659 /nfs/dbraw/zinc/91/16/59/563911659.db2.gz RAAXGBUQDGDHIB-UHFFFAOYSA-N 0 3 319.452 3.892 50 0 DHAAHN COc1ccc([C@H](C)NCc2ccco2)cc1CN1CCCC1 ZINC000089904658 563912178 /nfs/dbraw/zinc/91/21/78/563912178.db2.gz RMAGTMVYKSHROA-HNNXBMFYSA-N 0 3 314.429 3.735 50 0 DHAAHN CCN(CC)C[C@H](NC(=O)Nc1ccccc1)c1ccccc1 ZINC000007813741 563919960 /nfs/dbraw/zinc/91/99/60/563919960.db2.gz IFBGTGGSPWOMSM-SFHVURJKSA-N 0 3 311.429 3.891 50 0 DHAAHN O=C(c1ccco1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000106638372 563926341 /nfs/dbraw/zinc/92/63/41/563926341.db2.gz LOJONMJJVHHNAE-ZWKOTPCHSA-N 0 3 324.424 3.549 50 0 DHAAHN Cc1cccc(C(C)(C)CNC(=O)[C@H](C)N2CCCCCC2)c1 ZINC000078714951 563929990 /nfs/dbraw/zinc/92/99/90/563929990.db2.gz BZTSPLXPXJFJHW-KRWDZBQOSA-N 0 3 316.489 3.653 50 0 DHAAHN COCc1cc(CN[C@H](C)c2ccc(OC)c(F)c2)ccc1F ZINC000095422706 563931332 /nfs/dbraw/zinc/93/13/32/563931332.db2.gz AHKPRDRNVIIADE-GFCCVEGCSA-N 0 3 321.367 3.971 50 0 DHAAHN COc1ccccc1[C@@H]1CCN(Cc2nc(C)c(C)s2)C1 ZINC000095964892 563932701 /nfs/dbraw/zinc/93/27/01/563932701.db2.gz PBMPSMYSGJPVTD-CQSZACIVSA-N 0 3 302.443 3.758 50 0 DHAAHN C[C@H](CN(C)C)OC(=O)CC(c1ccccc1)c1ccccc1 ZINC000096028100 563935227 /nfs/dbraw/zinc/93/52/27/563935227.db2.gz SDBFAXMWGGTQIH-MRXNPFEDSA-N 0 3 311.425 3.702 50 0 DHAAHN CCCCNC(=O)C1CCN(Cc2coc3ccccc23)CC1 ZINC000096489811 563937505 /nfs/dbraw/zinc/93/75/05/563937505.db2.gz PLTPEBUBEOTMFQ-UHFFFAOYSA-N 0 3 314.429 3.561 50 0 DHAAHN CCOP(=O)(OCC)[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000027988349 563938235 /nfs/dbraw/zinc/93/82/35/563938235.db2.gz BOKQGHLFCVACJW-WRHSUISWSA-N 0 3 301.367 3.754 50 0 DHAAHN Fc1ccc(N2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000057617658 563942143 /nfs/dbraw/zinc/94/21/43/563942143.db2.gz KRJFJZWDVNQAGB-UHFFFAOYSA-N 0 3 321.399 3.696 50 0 DHAAHN CC(=O)NC1CCC(N[C@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000132907763 563943497 /nfs/dbraw/zinc/94/34/97/563943497.db2.gz AUANMRNVDORWKB-LMWSTFAQSA-N 0 3 323.506 3.539 50 0 DHAAHN Nc1ncccc1CN1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000670471168 563948557 /nfs/dbraw/zinc/94/85/57/563948557.db2.gz UFQHQBBYZNHEIP-CQSZACIVSA-N 0 3 301.821 3.697 50 0 DHAAHN CCOc1ccc2[nH]c(C)c(CN3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008713987 563949966 /nfs/dbraw/zinc/94/99/66/563949966.db2.gz UQPLCFSKTZPBLJ-ZDUSSCGKSA-N 0 3 314.429 3.879 50 0 DHAAHN CCN(CC)c1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1 ZINC000008717363 563950134 /nfs/dbraw/zinc/95/01/34/563950134.db2.gz QUFJLXDXONWJSZ-UHFFFAOYSA-N 0 3 313.445 3.691 50 0 DHAAHN Cc1cc(C)c(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)c(C)c1 ZINC000245225092 563952231 /nfs/dbraw/zinc/95/22/31/563952231.db2.gz MMNODLYVTWRJBH-SJORKVTESA-N 0 3 317.477 3.996 50 0 DHAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2cc(F)cc3cccnc32)c1 ZINC000069570750 563953566 /nfs/dbraw/zinc/95/35/66/563953566.db2.gz QTBNBDHRUMGYAG-KGLIPLIRSA-N 0 3 312.392 3.618 50 0 DHAAHN Cc1cnn([C@H](C)[C@H](C)NCc2cc(F)cc3cccnc32)c1 ZINC000069570754 563953612 /nfs/dbraw/zinc/95/36/12/563953612.db2.gz QTBNBDHRUMGYAG-UONOGXRCSA-N 0 3 312.392 3.618 50 0 DHAAHN CN(C)Cc1ccccc1CNC(=O)c1cc2ccccc2s1 ZINC000009917352 563958012 /nfs/dbraw/zinc/95/80/12/563958012.db2.gz NRSQDWWYUUEFNV-UHFFFAOYSA-N 0 3 324.449 3.893 50 0 DHAAHN COc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1OC ZINC000071837149 563958962 /nfs/dbraw/zinc/95/89/62/563958962.db2.gz OYPLUFLQFPQECS-INIZCTEOSA-N 0 3 301.361 3.620 50 0 DHAAHN c1ccc2c(c1)CCCC[C@@H]2NCc1cnc(N2CCCC2)nc1 ZINC000078394267 563960998 /nfs/dbraw/zinc/96/09/98/563960998.db2.gz SGVVTJJNGRCGSU-IBGZPJMESA-N 0 3 322.456 3.634 50 0 DHAAHN Fc1ccc(COCC2CCN(Cc3ccccn3)CC2)cc1 ZINC000000014958 568413291 /nfs/dbraw/zinc/41/32/91/568413291.db2.gz QKJJATCVDNNOIX-UHFFFAOYSA-N 0 3 314.404 3.650 50 0 DHAAHN COC(=O)c1ccc(CN2CC=C(c3ccccc3)CC2)cc1 ZINC000007456796 568419634 /nfs/dbraw/zinc/41/96/34/568419634.db2.gz FRIAHPIPCJTPCE-UHFFFAOYSA-N 0 3 307.393 3.763 50 0 DHAAHN C/C(=C/C(=O)NCCCN1CCc2ccccc2C1)C(C)(C)C ZINC000078932258 1013833639 /nfs/dbraw/zinc/83/36/39/1013833639.db2.gz OTUODBKAETVYOR-PEZBUJJGSA-N 0 3 314.473 3.543 50 0 DHAAHN CN(Cc1ccc(Cl)o1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000952863963 1032672088 /nfs/dbraw/zinc/67/20/88/1032672088.db2.gz GZFXHZAECFSLCC-AWEZNQCLSA-N 0 3 304.821 3.891 50 0 DHAAHN Cc1n[nH]c(C)c1CCCN(C)Cc1ccc(Cl)cc1F ZINC000952963672 1032672515 /nfs/dbraw/zinc/67/25/15/1032672515.db2.gz HWZYRWAMYDOTLN-UHFFFAOYSA-N 0 3 309.816 3.884 50 0 DHAAHN CN(Cc1ccoc1)Cc1cc(CN2CCCCC2)cs1 ZINC000823719816 1020444009 /nfs/dbraw/zinc/44/40/09/1020444009.db2.gz IISKQCLXWBNABW-UHFFFAOYSA-N 0 3 304.459 3.959 50 0 DHAAHN O=C(CCC1CCN(Cc2ccccc2Cl)CC1)NC1CC1 ZINC000012458972 1020615695 /nfs/dbraw/zinc/61/56/95/1020615695.db2.gz DLHANEPQCKBCFI-UHFFFAOYSA-N 0 3 320.864 3.611 50 0 DHAAHN CN(Cc1cccc2ccccc21)C(=O)CN1CCCCCC1 ZINC000827883901 1020801124 /nfs/dbraw/zinc/80/11/24/1020801124.db2.gz ATWUMVGADMAUOO-UHFFFAOYSA-N 0 3 310.441 3.674 50 0 DHAAHN FC(F)(F)COc1ccc(CN[C@@H]2CCc3ccccc32)cn1 ZINC000154957979 1021769625 /nfs/dbraw/zinc/76/96/25/1021769625.db2.gz BMYCSCSLLVOXSG-OAHLLOKOSA-N 0 3 322.330 3.800 50 0 DHAAHN Cc1nc([C@H]2CC23CCN(Cc2cccc(Cl)c2)CC3)no1 ZINC000257184597 1022227525 /nfs/dbraw/zinc/22/75/25/1022227525.db2.gz ISNIGGPMJGKHRC-OAHLLOKOSA-N 0 3 317.820 3.801 50 0 DHAAHN Cc1cnccc1CCNCc1cc(F)c(Cl)nc1Cl ZINC000585116566 1029772132 /nfs/dbraw/zinc/77/21/32/1029772132.db2.gz BAMSNKCXEOFMLX-UHFFFAOYSA-N 0 3 314.191 3.563 50 0 DHAAHN CC(C)(C)[S@@](=O)CCNCc1cc(Cl)cc2cccnc21 ZINC000089694426 1041065213 /nfs/dbraw/zinc/06/52/13/1041065213.db2.gz DPQOLIFDGCBXSD-OAQYLSRUSA-N 0 3 324.877 3.525 50 0 DHAAHN CN(C)[C@H]1CCCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000082125791 192359771 /nfs/dbraw/zinc/35/97/71/192359771.db2.gz VKMPMJVMUAYGBV-NSHDSACASA-N 0 3 315.244 3.550 50 0 DHAAHN COCCNc1ccc(CN[C@H](C)c2sccc2C)cc1 ZINC000095421903 185360702 /nfs/dbraw/zinc/36/07/02/185360702.db2.gz LIOIWZDEPSOJHE-CQSZACIVSA-N 0 3 304.459 3.966 50 0 DHAAHN CCc1cnc(CN(C2CCC(C)CC2)C2CCC(O)CC2)o1 ZINC000097010900 185396841 /nfs/dbraw/zinc/39/68/41/185396841.db2.gz YIJVAQHLWZFEQE-UHFFFAOYSA-N 0 3 320.477 3.921 50 0 DHAAHN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(-n3cncn3)c2)cc1 ZINC000095423553 185361108 /nfs/dbraw/zinc/36/11/08/185361108.db2.gz SVUWTKHIJQWCLK-CABCVRRESA-N 0 3 322.412 3.688 50 0 DHAAHN CC(C)c1nc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cs1 ZINC000095437455 185365575 /nfs/dbraw/zinc/36/55/75/185365575.db2.gz IPPWJIGSPWLOAK-ZNMIVQPWSA-N 0 3 306.475 3.704 50 0 DHAAHN C[C@@H](c1cccc(-c2ccncc2)c1)N(C)CCn1cccn1 ZINC000095459794 185370746 /nfs/dbraw/zinc/37/07/46/185370746.db2.gz NPHSGKBUVYNAEZ-INIZCTEOSA-N 0 3 306.413 3.638 50 0 DHAAHN C[C@@H](NCC1(O)CCSCC1)c1ccc(-c2ccccc2)o1 ZINC000097017004 185397472 /nfs/dbraw/zinc/39/74/72/185397472.db2.gz HTWPGQWWNUWNOE-CQSZACIVSA-N 0 3 317.454 3.855 50 0 DHAAHN c1ccc(COC[C@@H](NC2CCOCC2)c2ccccc2)cc1 ZINC000097017057 185397591 /nfs/dbraw/zinc/39/75/91/185397591.db2.gz WNBVFLVGCFCHKF-HXUWFJFHSA-N 0 3 311.425 3.713 50 0 DHAAHN c1ccc(-c2cccc(CN3CC(c4cccnc4)C3)c2)nc1 ZINC000072146413 191053822 /nfs/dbraw/zinc/05/38/22/191053822.db2.gz QUUOJKGBFMSANX-UHFFFAOYSA-N 0 3 301.393 3.743 50 0 DHAAHN CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2ccc([O-])cc2Cl)C1 ZINC000072168364 191066155 /nfs/dbraw/zinc/06/61/55/191066155.db2.gz SPVSMMAJDOUOCA-CQSZACIVSA-N 0 3 310.869 3.598 50 0 DHAAHN CC(C)[N@H+]1CCC[C@H](CN(C)Cc2ccc([O-])cc2Cl)C1 ZINC000072168364 191066158 /nfs/dbraw/zinc/06/61/58/191066158.db2.gz SPVSMMAJDOUOCA-CQSZACIVSA-N 0 3 310.869 3.598 50 0 DHAAHN CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2ccc([O-])cc2Cl)C1 ZINC000072168365 191067189 /nfs/dbraw/zinc/06/71/89/191067189.db2.gz SPVSMMAJDOUOCA-AWEZNQCLSA-N 0 3 310.869 3.598 50 0 DHAAHN CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2ccc([O-])cc2Cl)C1 ZINC000072168365 191067191 /nfs/dbraw/zinc/06/71/91/191067191.db2.gz SPVSMMAJDOUOCA-AWEZNQCLSA-N 0 3 310.869 3.598 50 0 DHAAHN CCOc1ccccc1NC(=O)[C@H](NC(C)C)c1ccccc1 ZINC000003414793 181016775 /nfs/dbraw/zinc/01/67/75/181016775.db2.gz LVGGMEWBHPEMRF-GOSISDBHSA-N 0 3 312.413 3.763 50 0 DHAAHN CCCCN(C)C(=O)C1CCN(Cc2sccc2C)CC1 ZINC000004552784 181124172 /nfs/dbraw/zinc/12/41/72/181124172.db2.gz DLCKEXGLKHLDTE-UHFFFAOYSA-N 0 3 308.491 3.527 50 0 DHAAHN COc1ccc(CSc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000005459450 181246455 /nfs/dbraw/zinc/24/64/55/181246455.db2.gz VYMUWAFLQFCNNO-UHFFFAOYSA-N 0 3 305.790 3.912 50 0 DHAAHN CC[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)cc1 ZINC000236909695 202066841 /nfs/dbraw/zinc/06/68/41/202066841.db2.gz VTCYOYGSVAYASX-IAGOWNOFSA-N 0 3 316.832 3.997 50 0 DHAAHN c1nc(-c2cccc(CN[C@H](c3ccccc3)C3CC3)c2)n[nH]1 ZINC000091374789 193048010 /nfs/dbraw/zinc/04/80/10/193048010.db2.gz KFORDNLSQFPQSQ-GOSISDBHSA-N 0 3 304.397 3.713 50 0 DHAAHN CC(C)=CCN1CCC(c2nccn2Cc2cscn2)CC1 ZINC000091585895 193075744 /nfs/dbraw/zinc/07/57/44/193075744.db2.gz QTWYYOLWKKKJRP-UHFFFAOYSA-N 0 3 316.474 3.534 50 0 DHAAHN Cc1ccc(Cn2cc(-c3ccc([C@H](C)N(C)C)cc3)nn2)cc1 ZINC000092038614 193146193 /nfs/dbraw/zinc/14/61/93/193146193.db2.gz MRGGWJCQUFDSAW-INIZCTEOSA-N 0 3 320.440 3.924 50 0 DHAAHN Clc1ccc(CNCCNCc2ccc(Cl)cc2)cc1 ZINC000019370426 182119727 /nfs/dbraw/zinc/11/97/27/182119727.db2.gz CYMQHJTXFPRIMG-UHFFFAOYSA-N 0 3 309.240 3.873 50 0 DHAAHN CN(Cc1ccc(Br)cc1)C[C@H](O)c1ccccc1 ZINC000019609106 182133582 /nfs/dbraw/zinc/13/35/82/182133582.db2.gz ZDBSNVWWJUNUKN-INIZCTEOSA-N 0 3 320.230 3.615 50 0 DHAAHN C[C@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019634474 182134433 /nfs/dbraw/zinc/13/44/33/182134433.db2.gz NMGYYUQHEIXWFP-LJQANCHMSA-N 0 3 308.469 3.998 50 0 DHAAHN C[C@@H](CCc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000019636505 182134690 /nfs/dbraw/zinc/13/46/90/182134690.db2.gz IUZWDIZPXUMNAD-IBGZPJMESA-N 0 3 308.469 3.826 50 0 DHAAHN CCOc1ccc(CN2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000019842310 182155769 /nfs/dbraw/zinc/15/57/69/182155769.db2.gz JKXYVTUCLOSGAX-UHFFFAOYSA-N 0 3 316.489 3.782 50 0 DHAAHN Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1 ZINC000019789212 182148758 /nfs/dbraw/zinc/14/87/58/182148758.db2.gz YDJKHTVCSPDZAO-UHFFFAOYSA-N 0 3 308.469 3.745 50 0 DHAAHN CCOc1ccc(Cl)cc1CNC[C@@H](O)c1ccccc1 ZINC000020177106 182194636 /nfs/dbraw/zinc/19/46/36/182194636.db2.gz GMPNZHCBJOEYMZ-MRXNPFEDSA-N 0 3 305.805 3.562 50 0 DHAAHN Fc1cccc(-c2[nH]nc3c2CN(Cc2ccsc2)CC3)c1 ZINC000020203204 182197884 /nfs/dbraw/zinc/19/78/84/182197884.db2.gz MFNCCJOOQKALPF-UHFFFAOYSA-N 0 3 313.401 3.836 50 0 DHAAHN CC(C)(C)OC(=O)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000022050359 182306338 /nfs/dbraw/zinc/30/63/38/182306338.db2.gz IWDFFHIOVOXFOW-DLBZAZTESA-N 0 3 316.445 3.518 50 0 DHAAHN CN(Cc1cccc(Br)c1)C[C@H](O)c1ccccc1 ZINC000023280603 182355572 /nfs/dbraw/zinc/35/55/72/182355572.db2.gz WPPWVYGBQHNTDV-INIZCTEOSA-N 0 3 320.230 3.615 50 0 DHAAHN Cc1ccccc1N1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000023282303 182355639 /nfs/dbraw/zinc/35/56/39/182355639.db2.gz JRFFUAKPYKWFKB-FQEVSTJZSA-N 0 3 306.453 3.675 50 0 DHAAHN COc1cc(CN[C@@H]2CCCc3ccccc32)cc2c1OCO2 ZINC000023634127 182364883 /nfs/dbraw/zinc/36/48/83/182364883.db2.gz GOJKMPZMFKRKDC-MRXNPFEDSA-N 0 3 311.381 3.591 50 0 DHAAHN CN(Cc1ccc2c(c1)OCO2)Cc1ccc(F)c2cccnc12 ZINC000024679743 182387092 /nfs/dbraw/zinc/38/70/92/182387092.db2.gz GWSVXUBKCBDVLH-UHFFFAOYSA-N 0 3 324.355 3.735 50 0 DHAAHN c1ccc2c(c1)cccc2CNCc1ccc2c(c1)OCCO2 ZINC000032735850 182657116 /nfs/dbraw/zinc/65/71/16/182657116.db2.gz RTDWHFDCXNNEEA-UHFFFAOYSA-N 0 3 305.377 3.901 50 0 DHAAHN C[C@H](CNCc1ccc(Cl)cc1Cl)Oc1ccccn1 ZINC000035287332 182767092 /nfs/dbraw/zinc/76/70/92/182767092.db2.gz JCNMXUVOLRRIAV-LLVKDONJSA-N 0 3 311.212 3.946 50 0 DHAAHN CCOc1ccc2ccccc2c1CNCCOc1ccccn1 ZINC000057356046 184036355 /nfs/dbraw/zinc/03/63/55/184036355.db2.gz BIXQDKWIOJEGEJ-UHFFFAOYSA-N 0 3 322.408 3.802 50 0 DHAAHN CCOC(=O)CCCN1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000057626561 184042618 /nfs/dbraw/zinc/04/26/18/184042618.db2.gz MXKMBOKOUCGVTP-QGZVFWFLSA-N 0 3 305.418 3.566 50 0 DHAAHN CCCCc1noc([C@H](C)N2CCN(CCC(C)(C)C)CC2)n1 ZINC000057992261 184065710 /nfs/dbraw/zinc/06/57/10/184065710.db2.gz DTYBEWIOGWDOKQ-HNNXBMFYSA-N 0 3 322.497 3.527 50 0 DHAAHN CN(C)Cc1ccc(CN(C)C(=O)Nc2ccccc2F)cc1 ZINC000058178600 184084830 /nfs/dbraw/zinc/08/48/30/184084830.db2.gz UYZFTFXIVWHOGP-UHFFFAOYSA-N 0 3 315.392 3.551 50 0 DHAAHN CC(C)CN(Cc1nnc(Cc2ccccc2)o1)CC(C)C ZINC000060356088 184146573 /nfs/dbraw/zinc/14/65/73/184146573.db2.gz CGIYAXVJOKFEOD-UHFFFAOYSA-N 0 3 301.434 3.774 50 0 DHAAHN Cc1ccccc1[C@@]1(O)CCN(Cc2ccc3ccccc3n2)C1 ZINC000065387469 184333820 /nfs/dbraw/zinc/33/38/20/184333820.db2.gz RVGUHUCBUQHVNJ-OAQYLSRUSA-N 0 3 318.420 3.637 50 0 DHAAHN C[C@H](CC(F)(F)F)NCCc1csc(-c2cccnc2)n1 ZINC000065373795 184330766 /nfs/dbraw/zinc/33/07/66/184330766.db2.gz IHHXUHDMBKMFQY-SNVBAGLBSA-N 0 3 315.364 3.678 50 0 DHAAHN CC[C@H](NCc1cc(-c2ccccc2)on1)C1CCOCC1 ZINC000408513192 257256466 /nfs/dbraw/zinc/25/64/66/257256466.db2.gz PSMOGYQKEINAEQ-KRWDZBQOSA-N 0 3 300.402 3.636 50 0 DHAAHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccccc1Br ZINC000240551409 257259442 /nfs/dbraw/zinc/25/94/42/257259442.db2.gz GTMIWUDLXGRLPE-HIFRSBDPSA-N 0 3 323.278 3.508 50 0 DHAAHN Cc1ccc(CN2CCN(c3nccc4occc43)CC2)c(C)c1 ZINC000065534372 134827655 /nfs/dbraw/zinc/82/76/55/134827655.db2.gz UDISKDVKKNWTCC-UHFFFAOYSA-N 0 3 321.424 3.767 50 0 DHAAHN C[C@@H](c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[NH+]1CCCC1 ZINC000534586318 334292145 /nfs/dbraw/zinc/29/21/45/334292145.db2.gz LWDIMWQTZJNWAS-AWEZNQCLSA-N 0 3 319.412 3.691 50 0 DHAAHN C[C@@H](c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[NH+]1CCCC1 ZINC000534586318 334292147 /nfs/dbraw/zinc/29/21/47/334292147.db2.gz LWDIMWQTZJNWAS-AWEZNQCLSA-N 0 3 319.412 3.691 50 0 DHAAHN CCc1nc(C)c(CN[C@@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000534676166 334323312 /nfs/dbraw/zinc/32/33/12/334323312.db2.gz CVIKHTGZRPLOAU-CQSZACIVSA-N 0 3 319.449 3.522 50 0 DHAAHN CCn1nncc1CN[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000418108702 336568278 /nfs/dbraw/zinc/56/82/78/336568278.db2.gz BMUFBVUBOPZGTQ-GOEBONIOSA-N 0 3 318.852 3.767 50 0 DHAAHN C[C@@H](O)C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000092969344 341458544 /nfs/dbraw/zinc/45/85/44/341458544.db2.gz XQWWNFWUQYKERU-OAHLLOKOSA-N 0 3 303.446 3.601 50 0 DHAAHN C[C@H](NC(C)(C)CNC(=O)Nc1ccsc1)c1ccccc1 ZINC000157195042 341634460 /nfs/dbraw/zinc/63/44/60/341634460.db2.gz UWEOKAGIORVXBV-ZDUSSCGKSA-N 0 3 317.458 3.999 50 0 DHAAHN Cc1cc(NCc2ccccn2)cc(N2CCN(C(C)C)CC2)c1 ZINC000191679102 525279907 /nfs/dbraw/zinc/27/99/07/525279907.db2.gz UYPFWRLBWYAESE-UHFFFAOYSA-N 0 3 324.472 3.533 50 0 DHAAHN CN(Cc1cnn(-c2ccc(Cl)cc2)c1)C1CCSCC1 ZINC000097522214 563540363 /nfs/dbraw/zinc/54/03/63/563540363.db2.gz KZFUACGNEZKRLK-UHFFFAOYSA-N 0 3 321.877 3.853 50 0 DHAAHN C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035047782 563795378 /nfs/dbraw/zinc/79/53/78/563795378.db2.gz NMZGDAGBEYLRLH-JTQLQIEISA-N 0 3 323.223 3.943 50 0 DHAAHN Cc1ccc(CN(CCC(C)C)C[C@H](O)COC(C)(C)C)o1 ZINC000036098062 563893107 /nfs/dbraw/zinc/89/31/07/563893107.db2.gz SJVONTPZIMZUNE-INIZCTEOSA-N 0 3 311.466 3.612 50 0 DHAAHN CCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027662748 563429098 /nfs/dbraw/zinc/42/90/98/563429098.db2.gz JWUQMBFXAGSCQO-GOSISDBHSA-N 0 3 302.462 3.828 50 0 DHAAHN O[C@H](CN(c1ccccc1)c1ccccc1)CN1CCCCC1 ZINC000000127000 563221033 /nfs/dbraw/zinc/22/10/33/563221033.db2.gz OBOZOKPRZDQAJO-FQEVSTJZSA-N 0 3 310.441 3.672 50 0 DHAAHN Cc1ccc(C)c(NC(=O)CCN2CCc3ccccc3C2)c1 ZINC000000176334 563227805 /nfs/dbraw/zinc/22/78/05/563227805.db2.gz RKRWOGPCGLBISV-UHFFFAOYSA-N 0 3 308.425 3.690 50 0 DHAAHN CC(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000000393818 563249929 /nfs/dbraw/zinc/24/99/29/563249929.db2.gz UKGXYSOSRSCGJB-UHFFFAOYSA-N 0 3 308.425 3.704 50 0 DHAAHN CC(C)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000002692863 563310795 /nfs/dbraw/zinc/31/07/95/563310795.db2.gz MXEAGZWZLNDZPO-LPHOPBHVSA-N 0 3 313.441 3.901 50 0 DHAAHN Clc1ccc(-c2csc(N3CCN4CCC[C@H]4C3)n2)cc1 ZINC000005731174 563330316 /nfs/dbraw/zinc/33/03/16/563330316.db2.gz OEVKPPCAYSTFIC-AWEZNQCLSA-N 0 3 319.861 3.748 50 0 DHAAHN Cc1cccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000009062535 563351250 /nfs/dbraw/zinc/35/12/50/563351250.db2.gz AWOKAIKPBJENEP-UHFFFAOYSA-N 0 3 322.452 3.523 50 0 DHAAHN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000010449943 563356841 /nfs/dbraw/zinc/35/68/41/563356841.db2.gz XLEKPJWSTYSFQO-INIZCTEOSA-N 0 3 320.436 3.874 50 0 DHAAHN COc1ccc2[nH]c(-c3ccccc3)c(CN(C)C)c(=O)c2c1 ZINC000008717287 563358522 /nfs/dbraw/zinc/35/85/22/563358522.db2.gz WXJSESLEWATHDR-UHFFFAOYSA-N 0 3 308.381 3.678 50 0 DHAAHN Cc1c(C)n(Cc2cccnc2)c2nc3c(c(N)c12)CCCCC3 ZINC000012323573 563366053 /nfs/dbraw/zinc/36/60/53/563366053.db2.gz CHZQRZLCUFXREZ-UHFFFAOYSA-N 0 3 320.440 3.948 50 0 DHAAHN Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C2CCOCC2)C1 ZINC000012711138 563373307 /nfs/dbraw/zinc/37/33/07/563373307.db2.gz BBMDSZXLIRIJRN-CQSZACIVSA-N 0 3 321.848 3.722 50 0 DHAAHN CC1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000013683120 563385595 /nfs/dbraw/zinc/38/55/95/563385595.db2.gz WHTGYMFTPLAFRJ-UHFFFAOYSA-N 0 3 300.446 3.545 50 0 DHAAHN CCc1cc(C(=O)Nc2ccc(CN(C)C)cc2)sc1C ZINC000023898784 563420538 /nfs/dbraw/zinc/42/05/38/563420538.db2.gz IAOGDFOOHZQCGK-UHFFFAOYSA-N 0 3 302.443 3.933 50 0 DHAAHN O=C(COc1ccccc1)Nc1cccc(CN2CCCCC2)c1 ZINC000027143655 563427478 /nfs/dbraw/zinc/42/74/78/563427478.db2.gz IPWAFAJSBYJSDN-UHFFFAOYSA-N 0 3 324.424 3.690 50 0 DHAAHN CCN(CC)[C@H](CNCc1cc(F)cc(F)c1)c1ccco1 ZINC000032553510 563442716 /nfs/dbraw/zinc/44/27/16/563442716.db2.gz YMKSNRWUBIMEHM-MRXNPFEDSA-N 0 3 308.372 3.731 50 0 DHAAHN CN(C)CCSc1nc2ccccc2n1Cc1ccccc1 ZINC000000191604 563446965 /nfs/dbraw/zinc/44/69/65/563446965.db2.gz ZOOOUVQELIUMBU-UHFFFAOYSA-N 0 3 311.454 3.738 50 0 DHAAHN Cc1nc(CN2CCC[C@H](CCc3ccccc3F)C2)c[nH]1 ZINC000055099338 563470630 /nfs/dbraw/zinc/47/06/30/563470630.db2.gz VDIBEWOICMCGSD-OAHLLOKOSA-N 0 3 301.409 3.702 50 0 DHAAHN Cc1ncc(CN2CCC[C@H](CCc3ccccc3F)C2)[nH]1 ZINC000055099338 563470635 /nfs/dbraw/zinc/47/06/35/563470635.db2.gz VDIBEWOICMCGSD-OAHLLOKOSA-N 0 3 301.409 3.702 50 0 DHAAHN Cc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055543433 563476500 /nfs/dbraw/zinc/47/65/00/563476500.db2.gz DGKUBJRVFFPESP-UHFFFAOYSA-N 0 3 300.833 3.971 50 0 DHAAHN C[C@@H](C(=O)N(Cc1cccs1)C1CC1)[C@@H](N)c1ccccc1 ZINC000096467584 563483527 /nfs/dbraw/zinc/48/35/27/563483527.db2.gz AWRBBEVNXAUPRZ-CXAGYDPISA-N 0 3 314.454 3.575 50 0 DHAAHN COc1ccc(Oc2ccc(Cl)nn2)cc1CN1CCCC1 ZINC000067561913 563487764 /nfs/dbraw/zinc/48/77/64/563487764.db2.gz QANDPDUJBZENAR-UHFFFAOYSA-N 0 3 319.792 3.527 50 0 DHAAHN c1cc([C@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)n[nH]1 ZINC000067805643 563491427 /nfs/dbraw/zinc/49/14/27/563491427.db2.gz JQGOYZLPDGQVFP-HNNXBMFYSA-N 0 3 313.449 3.560 50 0 DHAAHN CN(CCC1=CCN(C)CC1)C(=O)c1cc2ccccc2s1 ZINC000067973536 563494060 /nfs/dbraw/zinc/49/40/60/563494060.db2.gz KSGSZELFEQVTID-UHFFFAOYSA-N 0 3 314.454 3.625 50 0 DHAAHN CCN(CC1=CCCN(C)C1)C(=O)c1ccc2ccccc2c1 ZINC000067946368 563494293 /nfs/dbraw/zinc/49/42/93/563494293.db2.gz WHWIIILVMMHSCE-UHFFFAOYSA-N 0 3 308.425 3.564 50 0 DHAAHN CCOC(=O)C[C@H]1CCCCN1Cc1ccnc2ccccc12 ZINC000077353899 563509111 /nfs/dbraw/zinc/50/91/11/563509111.db2.gz YAZYJBSXZNMFHI-MRXNPFEDSA-N 0 3 312.413 3.543 50 0 DHAAHN CC(C)=CCN1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095376480 563529871 /nfs/dbraw/zinc/52/98/71/563529871.db2.gz PXZLZYGPHQAEKD-OAHLLOKOSA-N 0 3 316.474 3.534 50 0 DHAAHN O=C1OCC2(CCN(Cc3ccc(C4CCCC4)s3)CC2)O1 ZINC000097528971 563540050 /nfs/dbraw/zinc/54/00/50/563540050.db2.gz HFTFEDRZOXBWMI-UHFFFAOYSA-N 0 3 321.442 3.907 50 0 DHAAHN CN1CCN(Cc2cccc3ncccc23)C[C@@H]1c1ccccc1 ZINC000097743373 563541793 /nfs/dbraw/zinc/54/17/93/563541793.db2.gz VQXSZEWJNNWWDZ-OAQYLSRUSA-N 0 3 317.436 3.724 50 0 DHAAHN CCNCc1cc(-c2ccc(Br)c(Cl)c2)n[nH]1 ZINC000725264738 563570821 /nfs/dbraw/zinc/57/08/21/563570821.db2.gz RCEVFLJRKKDWEO-UHFFFAOYSA-N 0 3 314.614 3.602 50 0 DHAAHN Cc1ccc2oc(-c3ccccc3)c/c(=N\CCN(C)C)c2c1 ZINC000000148579 563573259 /nfs/dbraw/zinc/57/32/59/563573259.db2.gz LTFLDNSWLQKREC-DYTRJAOYSA-N 0 3 306.409 3.871 50 0 DHAAHN c1cc(-c2ccccc2)oc1CNCCCOc1ccccn1 ZINC000113397313 563581933 /nfs/dbraw/zinc/58/19/33/563581933.db2.gz KCRUXFRNYVEHTM-UHFFFAOYSA-N 0 3 308.381 3.900 50 0 DHAAHN Clc1ccc(CNC2(c3ccccc3)CCOCC2)cn1 ZINC000072633002 563606163 /nfs/dbraw/zinc/60/61/63/563606163.db2.gz OERUCBRYCFMHIT-UHFFFAOYSA-N 0 3 302.805 3.531 50 0 DHAAHN C[C@H](CN1CCCCC1)N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000151860067 563622888 /nfs/dbraw/zinc/62/28/88/563622888.db2.gz YDAQVJHSSZTEDU-VXGBXAGGSA-N 0 3 300.368 3.629 50 0 DHAAHN FC(F)(F)c1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000000200722 563628392 /nfs/dbraw/zinc/62/83/92/563628392.db2.gz FRJGAEVYNJXFHC-UHFFFAOYSA-N 0 3 309.287 3.724 50 0 DHAAHN COc1cc(CN[C@H](C)c2ccccc2C)cc2c1OCCO2 ZINC000014137399 563665268 /nfs/dbraw/zinc/66/52/68/563665268.db2.gz BYKUARXRNNQKTR-CQSZACIVSA-N 0 3 313.397 3.626 50 0 DHAAHN CCN(CC)[C@H](CNC(=O)Cc1cccs1)c1ccsc1 ZINC000046940477 563678241 /nfs/dbraw/zinc/67/82/41/563678241.db2.gz BNGDZTJDKDRNRX-OAHLLOKOSA-N 0 3 322.499 3.551 50 0 DHAAHN Cc1cc([C@H]2CCCN2C[C@@H](O)c2ccc(Cl)cc2)on1 ZINC000108182453 563687187 /nfs/dbraw/zinc/68/71/87/563687187.db2.gz BNGGLLHEJSDTGP-HUUCEWRRSA-N 0 3 306.793 3.507 50 0 DHAAHN Cc1cc([C@H]2CCCN2CCCc2nc3ccccc3o2)on1 ZINC000048278797 563694807 /nfs/dbraw/zinc/69/48/07/563694807.db2.gz QGQDLLMXKKCROX-OAHLLOKOSA-N 0 3 311.385 3.894 50 0 DHAAHN CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1cccc(C)c1 ZINC000048326540 563696506 /nfs/dbraw/zinc/69/65/06/563696506.db2.gz IBOBGBNMCGIYMT-RTBURBONSA-N 0 3 314.473 3.923 50 0 DHAAHN Cc1[nH]nc2ncc(CN[C@@H]3CCSc4ccccc43)cc12 ZINC000048341074 563697032 /nfs/dbraw/zinc/69/70/32/563697032.db2.gz TUBYJJIGEXHMOS-OAHLLOKOSA-N 0 3 310.426 3.593 50 0 DHAAHN CC(C)NC(=O)Nc1ccc(CNCc2cccs2)cc1 ZINC000048784902 563700127 /nfs/dbraw/zinc/70/01/27/563700127.db2.gz UHTJFXWWJOTYQD-UHFFFAOYSA-N 0 3 303.431 3.568 50 0 DHAAHN Cc1ccc(C)c([C@H](C)NCC(=O)NC[C@H](C)c2ccccc2)c1 ZINC000049597289 563702391 /nfs/dbraw/zinc/70/23/91/563702391.db2.gz URDKRSKXTKIGJA-ROUUACIJSA-N 0 3 324.468 3.874 50 0 DHAAHN Cc1c2cc(C)ccc2oc1CN(C)[C@H](C)Cc1cnccn1 ZINC000215340641 563705410 /nfs/dbraw/zinc/70/54/10/563705410.db2.gz BOORDPFJEMMNMU-CQSZACIVSA-N 0 3 309.413 3.903 50 0 DHAAHN Cc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2CN2CCCC2)c1 ZINC000221316263 563723167 /nfs/dbraw/zinc/72/31/67/563723167.db2.gz FAEGKEAMZQEAKR-OAHLLOKOSA-N 0 3 320.864 3.739 50 0 DHAAHN COc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccccc2)cc1 ZINC000012530338 563798403 /nfs/dbraw/zinc/79/84/03/563798403.db2.gz PXQKFNGMODRZDE-CQSZACIVSA-N 0 3 307.397 3.936 50 0 DHAAHN Cc1cccnc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000012543234 563799592 /nfs/dbraw/zinc/79/95/92/563799592.db2.gz LFEGELZTUGUPBA-UHFFFAOYSA-N 0 3 309.413 3.628 50 0 DHAAHN Cc1cc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc1Cl ZINC000001469930 563838274 /nfs/dbraw/zinc/83/82/74/563838274.db2.gz COZCCBGXWRWDCY-HOCLYGCPSA-N 0 3 319.832 3.739 50 0 DHAAHN CN1CCC([C@@]2(O)CCCSc3ccc(Cl)cc32)CC1 ZINC000075259684 563861880 /nfs/dbraw/zinc/86/18/80/563861880.db2.gz LETNNPBCRUBGRD-INIZCTEOSA-N 0 3 311.878 3.755 50 0 DHAAHN C[C@H](NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000229720452 563871206 /nfs/dbraw/zinc/87/12/06/563871206.db2.gz DFRMMUMHXXUGPK-ABSDTBQOSA-N 0 3 322.452 3.742 50 0 DHAAHN CC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@H]2C)N(CCC(C)C)C1=O ZINC000245253797 563881584 /nfs/dbraw/zinc/88/15/84/563881584.db2.gz QTRVLQKYYQBXGS-MJSCVDMRSA-N 0 3 306.494 3.952 50 0 DHAAHN Cc1cc2ncc([C@H](C)NCCSC(C)(C)C)c(C)n2n1 ZINC000089516576 563889312 /nfs/dbraw/zinc/88/93/12/563889312.db2.gz DJBRNYMSBKZIPB-LBPRGKRZSA-N 0 3 306.479 3.528 50 0 DHAAHN Cc1cc([C@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 ZINC000089580466 563891261 /nfs/dbraw/zinc/89/12/61/563891261.db2.gz SSQFQZADRGIFRN-KGLIPLIRSA-N 0 3 310.401 3.889 50 0 DHAAHN Cc1ccc(CN(C[C@H](O)COc2ccccc2C)C(C)C)o1 ZINC000036097721 563892721 /nfs/dbraw/zinc/89/27/21/563892721.db2.gz WDCREZQDKIUQND-KRWDZBQOSA-N 0 3 317.429 3.547 50 0 DHAAHN COc1cccc(CN(CCC(C)C)C[C@H](O)C(C)C)c1OC ZINC000036097285 563893150 /nfs/dbraw/zinc/89/31/50/563893150.db2.gz MAVRANRJHVRQIC-KRWDZBQOSA-N 0 3 323.477 3.569 50 0 DHAAHN c1ccc2c(c1)NCCC[C@H]2NCc1ccnc(N2CCCC2)c1 ZINC000170085031 563903663 /nfs/dbraw/zinc/90/36/63/563903663.db2.gz HMKVGAMGARCQIW-LJQANCHMSA-N 0 3 322.456 3.718 50 0 DHAAHN CCc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccs2)cc1 ZINC000007375790 563905445 /nfs/dbraw/zinc/90/54/45/563905445.db2.gz PUPNJSSNPJOWRE-OLZOCXBDSA-N 0 3 302.443 3.988 50 0 DHAAHN CCc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccs2)cc1 ZINC000007375788 563905452 /nfs/dbraw/zinc/90/54/52/563905452.db2.gz PUPNJSSNPJOWRE-CHWSQXEVSA-N 0 3 302.443 3.988 50 0 DHAAHN Cc1ccc(NC(=O)CCN[C@@H](C)c2ccncc2)c(Cl)c1 ZINC000089669700 563910875 /nfs/dbraw/zinc/91/08/75/563910875.db2.gz WCFFFFXYJUWWNK-ZDUSSCGKSA-N 0 3 317.820 3.723 50 0 DHAAHN c1ccc(C2(NCc3ccc(N4CCCC4)nc3)CCC2)cc1 ZINC000089827731 563911414 /nfs/dbraw/zinc/91/14/14/563911414.db2.gz UKFQDKQNMVTSNO-UHFFFAOYSA-N 0 3 307.441 3.851 50 0 DHAAHN CC(=O)Nc1ccc(CN[C@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000252537068 563917014 /nfs/dbraw/zinc/91/70/14/563917014.db2.gz KFJGJXHOJQENIV-CYBMUJFWSA-N 0 3 314.433 3.582 50 0 DHAAHN CC(C)N1CC[C@@H](NC(=S)Nc2ccc3ccccc3c2)C1 ZINC000066012372 563919359 /nfs/dbraw/zinc/91/93/59/563919359.db2.gz UHFFVGYBJNOWAH-QGZVFWFLSA-N 0 3 313.470 3.609 50 0 DHAAHN N[C@H](CC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195544196 563919616 /nfs/dbraw/zinc/91/96/16/563919616.db2.gz WTHPQIOYMMPMPY-MSOLQXFVSA-N 0 3 312.388 3.579 50 0 DHAAHN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3ccccc3)CC[C@@H]21 ZINC000201157355 563926736 /nfs/dbraw/zinc/92/67/36/563926736.db2.gz DEZFOMKNEZXHRG-IRXDYDNUSA-N 0 3 316.445 3.518 50 0 DHAAHN COc1cccc2cc([C@H](C)NC[C@@](C)(O)c3ccco3)oc21 ZINC000095987952 563934158 /nfs/dbraw/zinc/93/41/58/563934158.db2.gz YJFMIKGXJIVNPK-KPZWWZAWSA-N 0 3 315.369 3.593 50 0 DHAAHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(CSC(F)F)o1 ZINC000096003694 563934585 /nfs/dbraw/zinc/93/45/85/563934585.db2.gz TWMGANMPZHXDMT-CQSZACIVSA-N 0 3 318.433 3.507 50 0 DHAAHN O[C@@H](CN1CCC(c2nc3ccccc3o2)CC1)c1ccccc1 ZINC000002616061 563939303 /nfs/dbraw/zinc/93/93/03/563939303.db2.gz GVAKHDZICRSYMD-SFHVURJKSA-N 0 3 322.408 3.741 50 0 DHAAHN Cc1cccc(NC(=S)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000002645325 563940040 /nfs/dbraw/zinc/94/00/40/563940040.db2.gz RWKUVLRNTJXXHU-QGZVFWFLSA-N 0 3 313.470 3.584 50 0 DHAAHN Cc1cc(C)c(OC[C@H](O)CN[C@H](C)c2ccccc2)c(C)c1 ZINC000003194186 563942873 /nfs/dbraw/zinc/94/28/73/563942873.db2.gz CITKQVBWORSVBS-IEBWSBKVSA-N 0 3 313.441 3.702 50 0 DHAAHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)c1ccc(F)c(F)c1 ZINC000229557126 563945547 /nfs/dbraw/zinc/94/55/47/563945547.db2.gz BZEBIVQVTUXHKV-UYHISHBKSA-N 0 3 322.399 3.501 50 0 DHAAHN C[C@H](NC1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008038440 563946338 /nfs/dbraw/zinc/94/63/38/563946338.db2.gz GBONJHDFOWMOHZ-VIFPVBQESA-N 0 3 301.217 3.853 50 0 DHAAHN Nc1ncccc1CN1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000670471167 563948634 /nfs/dbraw/zinc/94/86/34/563948634.db2.gz UFQHQBBYZNHEIP-AWEZNQCLSA-N 0 3 301.821 3.697 50 0 DHAAHN COc1ccc(CNCc2c[nH]nc2-c2ccc(C)cc2)cc1 ZINC000008710036 563950064 /nfs/dbraw/zinc/95/00/64/563950064.db2.gz PCBMMEKMKOFWOS-UHFFFAOYSA-N 0 3 307.397 3.684 50 0 DHAAHN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000036430683 568418940 /nfs/dbraw/zinc/41/89/40/568418940.db2.gz WBLURPAGRKIDKQ-ULQDDVLXSA-N 0 3 300.446 3.834 50 0 DHAAHN O=C(Nc1cccc(CNCc2cccs2)c1)c1ccncc1 ZINC000055171679 568421963 /nfs/dbraw/zinc/42/19/63/568421963.db2.gz QHPUOQBAVAEBIC-UHFFFAOYSA-N 0 3 323.421 3.685 50 0 DHAAHN CC(C)Cc1nc(-c2ccc(CN(C)C)o2)n(C(C)(C)C)n1 ZINC000821477590 1020258646 /nfs/dbraw/zinc/25/86/46/1020258646.db2.gz MGSNCGNNNRIAQL-UHFFFAOYSA-N 0 3 304.438 3.553 50 0 DHAAHN Cc1cnc(-c2ccccc2)n1[C@H]1CCN(Cc2ccncc2)C1 ZINC000581808120 1020912265 /nfs/dbraw/zinc/91/22/65/1020912265.db2.gz QFUDGZJIMIPCRS-IBGZPJMESA-N 0 3 318.424 3.701 50 0 DHAAHN Cc1cnc(C2CC2)n1[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000575550213 1020976133 /nfs/dbraw/zinc/97/61/33/1020976133.db2.gz RWZNLJCYZTXWHO-INIZCTEOSA-N 0 3 317.383 3.794 50 0 DHAAHN CCCC[N@H+]1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)[n-]c(=O)c1C2 ZINC000675009711 1022738027 /nfs/dbraw/zinc/73/80/27/1022738027.db2.gz CWKWHNRQUCGVQS-CVEARBPZSA-N 0 3 323.440 3.581 50 0 DHAAHN CCCC[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)[n-]c(=O)c1C2 ZINC000675009711 1022738039 /nfs/dbraw/zinc/73/80/39/1022738039.db2.gz CWKWHNRQUCGVQS-CVEARBPZSA-N 0 3 323.440 3.581 50 0 DHAAHN FC(F)(F)c1ccccc1CNCc1ccc2c(c1)OCO2 ZINC000054991682 1025530176 /nfs/dbraw/zinc/53/01/76/1025530176.db2.gz KDFDPMQMBQJGJO-UHFFFAOYSA-N 0 3 309.287 3.724 50 0 DHAAHN Cc1cc([C@@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)on1 ZINC000052010259 1026103503 /nfs/dbraw/zinc/10/35/03/1026103503.db2.gz BNGGLLHEJSDTGP-GJZGRUSLSA-N 0 3 306.793 3.507 50 0 DHAAHN CC[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1 ZINC000237012031 1037857471 /nfs/dbraw/zinc/85/74/71/1037857471.db2.gz VTCYOYGSVAYASX-IRXDYDNUSA-N 0 3 316.832 3.997 50 0 DHAAHN Cc1ccc(CNCc2ccc(CO)cc2)cc1Br ZINC000227463474 1040269846 /nfs/dbraw/zinc/26/98/46/1040269846.db2.gz SJGJFSQPOOJHLM-UHFFFAOYSA-N 0 3 320.230 3.540 50 0 DHAAHN Cc1nc([C@@H]2CC23CCN(Cc2cccc(Cl)c2)CC3)no1 ZINC000257184594 1040882672 /nfs/dbraw/zinc/88/26/72/1040882672.db2.gz ISNIGGPMJGKHRC-HNNXBMFYSA-N 0 3 317.820 3.801 50 0 DHAAHN OCC1CCN(Cc2ccccc2NCc2ccccc2)CC1 ZINC000078920717 185129249 /nfs/dbraw/zinc/12/92/49/185129249.db2.gz BYSHRGNVOKAGHR-UHFFFAOYSA-N 0 3 310.441 3.503 50 0 DHAAHN C[S@](=O)c1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000090220869 185286991 /nfs/dbraw/zinc/28/69/91/185286991.db2.gz PUGUABGYFUOGDQ-MGPUTAFESA-N 0 3 305.468 3.653 50 0 DHAAHN COc1cccc2c1CC[C@@H]2N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000095419638 185360000 /nfs/dbraw/zinc/36/00/00/185360000.db2.gz ASNMCXODCAGPAH-YJYMSZOUSA-N 0 3 324.424 3.992 50 0 DHAAHN Cc1nccn1-c1ccc(CN[C@H]2CCCc3sccc32)cn1 ZINC000095420608 185360177 /nfs/dbraw/zinc/36/01/77/185360177.db2.gz GXBZOERRARGRIN-INIZCTEOSA-N 0 3 324.453 3.804 50 0 DHAAHN C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(SC(F)F)cc1 ZINC000095419737 185360276 /nfs/dbraw/zinc/36/02/76/185360276.db2.gz NJFKIUJRPMXIFZ-ZWNOBZJWSA-N 0 3 313.369 3.979 50 0 DHAAHN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccc([S@@](C)=O)cc1 ZINC000095421145 185360308 /nfs/dbraw/zinc/36/03/08/185360308.db2.gz BBRREWZPCAPMSZ-PSIQCNSWSA-N 0 3 317.429 3.901 50 0 DHAAHN Cc1ncsc1CN[C@H](C)Cc1nc2ccccc2s1 ZINC000095421969 185360808 /nfs/dbraw/zinc/36/08/08/185360808.db2.gz BBMYMHSUWPDQSA-SNVBAGLBSA-N 0 3 303.456 3.782 50 0 DHAAHN O=C(C1CCCC1)N1CC[C@@H](N[C@@H]2CCCc3sccc32)C1 ZINC000095423912 185361071 /nfs/dbraw/zinc/36/10/71/185361071.db2.gz KPNPBGLPBDAABH-GDBMZVCRSA-N 0 3 318.486 3.506 50 0 DHAAHN C[C@H](NCCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2 ZINC000095451049 185368909 /nfs/dbraw/zinc/36/89/09/185368909.db2.gz KUTJZVFQMVZUKS-JTQLQIEISA-N 0 3 319.499 3.859 50 0 DHAAHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000097014460 185397158 /nfs/dbraw/zinc/39/71/58/185397158.db2.gz BRSSXUUEBBKWCU-NWDGAFQWSA-N 0 3 324.387 3.564 50 0 DHAAHN COc1ccc(CN2CC(c3ccccn3)C2)c2ccccc12 ZINC000072127180 191043383 /nfs/dbraw/zinc/04/33/83/191043383.db2.gz VQODRTPEESZMOE-UHFFFAOYSA-N 0 3 304.393 3.843 50 0 DHAAHN CN(C)[C@H](CNc1nc2c(cccc2F)o1)c1cccc(F)c1 ZINC000225592066 186280951 /nfs/dbraw/zinc/28/09/51/186280951.db2.gz WBWMOTXQWFMYMV-CQSZACIVSA-N 0 3 317.339 3.821 50 0 DHAAHN Cc1cccc(CN[C@@H]2CSC[C@@H]2C)c1Br ZINC000253393511 186303848 /nfs/dbraw/zinc/30/38/48/186303848.db2.gz DYSKIDLOLXLQAJ-CMPLNLGQSA-N 0 3 300.265 3.599 50 0 DHAAHN COc1ccc(NC(=O)CN(C)C2CCCCC2)cc1Cl ZINC000003429797 181018019 /nfs/dbraw/zinc/01/80/19/181018019.db2.gz KVKRIUMTXRCBIN-UHFFFAOYSA-N 0 3 310.825 3.552 50 0 DHAAHN O=C(CNC1CCCCC1)Nc1c2c(nc3ccccc31)CCC2 ZINC000005061001 181199385 /nfs/dbraw/zinc/19/93/85/181199385.db2.gz VFHRBFLWEMSRGM-UHFFFAOYSA-N 0 3 323.440 3.584 50 0 DHAAHN CC(C)N(C)CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000005094447 181203227 /nfs/dbraw/zinc/20/32/27/181203227.db2.gz SHWPXMXODKGVTK-UHFFFAOYSA-N 0 3 311.425 3.702 50 0 DHAAHN C[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000005559756 181257520 /nfs/dbraw/zinc/25/75/20/181257520.db2.gz OMMABXQBKXLFFT-UZLBHIALSA-N 0 3 321.420 3.930 50 0 DHAAHN CC[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)cc1 ZINC000237008684 202120635 /nfs/dbraw/zinc/12/06/35/202120635.db2.gz VTCYOYGSVAYASX-SJORKVTESA-N 0 3 316.832 3.997 50 0 DHAAHN CCOC(=O)[C@@H]1CCCN(CCCCSc2ccccc2)C1 ZINC000006703325 181374571 /nfs/dbraw/zinc/37/45/71/181374571.db2.gz WMEAWZWECXJKSA-MRXNPFEDSA-N 0 3 321.486 3.834 50 0 DHAAHN C[S@](=O)c1ccc(CN2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000093439553 193253374 /nfs/dbraw/zinc/25/33/74/193253374.db2.gz NFNSDAMWQCWVPB-GHTZIAJQSA-N 0 3 303.471 3.746 50 0 DHAAHN C[C@H]1[C@H](OC(=O)c2ccccc2)CCN(Cc2ccco2)[C@H]1C ZINC000015319282 181996908 /nfs/dbraw/zinc/99/69/08/181996908.db2.gz IEDBZMWATZKGIT-RVKKMQEKSA-N 0 3 313.397 3.736 50 0 DHAAHN Cc1ccc2c(Cl)c(C(=O)NC3CCN(C)CC3)sc2c1 ZINC000016604987 182052333 /nfs/dbraw/zinc/05/23/33/182052333.db2.gz FSCCYCHOHNSGPT-UHFFFAOYSA-N 0 3 322.861 3.687 50 0 DHAAHN CCN(CC)CCNCc1ccccc1OCc1ccccc1 ZINC000019370707 182119862 /nfs/dbraw/zinc/11/98/62/182119862.db2.gz HLBLOACXPXZDOZ-UHFFFAOYSA-N 0 3 312.457 3.697 50 0 DHAAHN COc1cccc2c1OC[C@H](NCc1cccc(SC)c1)C2 ZINC000019792734 182150148 /nfs/dbraw/zinc/15/01/48/182150148.db2.gz BASHLDFZBIMBDD-OAHLLOKOSA-N 0 3 315.438 3.510 50 0 DHAAHN Cc1ccccc1CN1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019907245 182163095 /nfs/dbraw/zinc/16/30/95/182163095.db2.gz QNWXAGVINFNQQO-UHFFFAOYSA-N 0 3 319.452 3.794 50 0 DHAAHN CC[C@@H](C)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019889625 182160622 /nfs/dbraw/zinc/16/06/22/182160622.db2.gz SUEGNHBVKRMQOH-CYBMUJFWSA-N 0 3 300.368 3.622 50 0 DHAAHN CCN1CCN(CCCCOc2cccc3ccccc32)CC1 ZINC000020390399 182213752 /nfs/dbraw/zinc/21/37/52/182213752.db2.gz HNTXCAHEZSGBDR-UHFFFAOYSA-N 0 3 312.457 3.636 50 0 DHAAHN O=C(C[C@H]1NCCc2ccccc21)Nc1ccc(Cl)cc1 ZINC000020389320 182213758 /nfs/dbraw/zinc/21/37/58/182213758.db2.gz LNEIJTZTANOBNB-MRXNPFEDSA-N 0 3 300.789 3.556 50 0 DHAAHN Clc1cccc(-c2ccc(CN[C@@H]3CN4CCC3CC4)o2)c1 ZINC000020477290 182221509 /nfs/dbraw/zinc/22/15/09/182221509.db2.gz QJJSFJPIINFRGM-QGZVFWFLSA-N 0 3 316.832 3.784 50 0 DHAAHN CSc1ccc([C@H](CN)N2CCc3sccc3C2)cc1 ZINC000020523750 182227159 /nfs/dbraw/zinc/22/71/59/182227159.db2.gz IZKMCDVXIMYVKG-HNNXBMFYSA-N 0 3 304.484 3.528 50 0 DHAAHN FC(F)(F)c1ccccc1CNC[C@H]1NCCc2ccccc21 ZINC000020528363 182227287 /nfs/dbraw/zinc/22/72/87/182227287.db2.gz WVAZFWKUGWRAPQ-QGZVFWFLSA-N 0 3 320.358 3.682 50 0 DHAAHN Cc1cc(OCCCN2CCN(C)CC2)c(C(C)C)cc1Cl ZINC000020639330 182241559 /nfs/dbraw/zinc/24/15/59/182241559.db2.gz GKBYNGTXYOGATF-UHFFFAOYSA-N 0 3 324.896 3.788 50 0 DHAAHN Cc1[nH]c2ccc(C)cc2c1[C@H](O)CN1CCc2ccccc2C1 ZINC000021793247 182289938 /nfs/dbraw/zinc/28/99/38/182289938.db2.gz KBBQATZWAGTDAZ-HXUWFJFHSA-N 0 3 320.436 3.876 50 0 DHAAHN CC[C@@H](C(=O)NCc1ccccc1CN(C)C)c1ccccc1 ZINC000022695395 182331198 /nfs/dbraw/zinc/33/11/98/182331198.db2.gz ZFUKOQRJEUQXHV-LJQANCHMSA-N 0 3 310.441 3.558 50 0 DHAAHN COc1ccc(CN(C)Cc2cccc3cccnc32)cc1OC ZINC000040040799 183028756 /nfs/dbraw/zinc/02/87/56/183028756.db2.gz XXWXNPMIISMKFX-UHFFFAOYSA-N 0 3 322.408 3.884 50 0 DHAAHN CCCCNC(=O)C1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000042133809 183234415 /nfs/dbraw/zinc/23/44/15/183234415.db2.gz ROJIQUGKKUDKIM-AWEZNQCLSA-N 0 3 306.425 3.515 50 0 DHAAHN CC[C@H](CO)N(Cc1cc(C(C)(C)C)[nH]n1)Cc1cccs1 ZINC000055153545 183966969 /nfs/dbraw/zinc/96/69/69/183966969.db2.gz FSKVLZLFPRDRTP-CQSZACIVSA-N 0 3 321.490 3.542 50 0 DHAAHN Fc1ccccc1-c1ccc(CNCCOc2ccccn2)o1 ZINC000057354895 184035295 /nfs/dbraw/zinc/03/52/95/184035295.db2.gz CEMDNSWKGDWMCS-UHFFFAOYSA-N 0 3 312.344 3.649 50 0 DHAAHN C[C@H](CC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000058367289 184109591 /nfs/dbraw/zinc/10/95/91/184109591.db2.gz LVLRQKWZMJNZAB-CQSZACIVSA-N 0 3 320.502 3.513 50 0 DHAAHN CC[C@@H](C)N(C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000058405887 184113677 /nfs/dbraw/zinc/11/36/77/184113677.db2.gz UPGMDYHXTQQDAH-CVEARBPZSA-N 0 3 304.478 3.793 50 0 DHAAHN O=C(CN(Cc1ccccc1)CC1CCC1)NC1CCCCC1 ZINC000060041858 184143473 /nfs/dbraw/zinc/14/34/73/184143473.db2.gz ZPAYMKLKMLGCCV-UHFFFAOYSA-N 0 3 314.473 3.738 50 0 DHAAHN COc1cccc(C[C@@H](C)NCc2nn(C)c3ccc(C)cc23)c1 ZINC000065466607 184350104 /nfs/dbraw/zinc/35/01/04/184350104.db2.gz LPMJDPMQUHQCQG-OAHLLOKOSA-N 0 3 323.440 3.611 50 0 DHAAHN Cc1coc2ccc(NC(=O)N[C@H](C)C3=CCN(C)CC3)cc12 ZINC000274829715 130266245 /nfs/dbraw/zinc/26/62/45/130266245.db2.gz HDNXRHCQIQNQRL-CYBMUJFWSA-N 0 3 313.401 3.513 50 0 DHAAHN CC(C)CC1(NC(=O)N(C)[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000534665539 334318790 /nfs/dbraw/zinc/31/87/90/334318790.db2.gz PIUIMXYMNPJZGA-KRWDZBQOSA-N 0 3 317.477 3.509 50 0 DHAAHN Cc1nn(C(C)C)c(C)c1CN(C)CCCc1cccnc1 ZINC000244858511 563779712 /nfs/dbraw/zinc/77/97/12/563779712.db2.gz VMOGGBYCFJHIAE-UHFFFAOYSA-N 0 3 300.450 3.540 50 0 DHAAHN CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000242140846 563880906 /nfs/dbraw/zinc/88/09/06/563880906.db2.gz WPTUSCVGQBFGFQ-LDCAVPPVSA-N 0 3 315.429 3.695 50 0 DHAAHN C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626896 563908755 /nfs/dbraw/zinc/90/87/55/563908755.db2.gz VAHGGHDEELJVNP-MJGOQNOKSA-N 0 3 304.478 3.600 50 0 DHAAHN Fc1cc(CN2CCCC2)ccc1Oc1ccc(Cl)nn1 ZINC000067774262 563490618 /nfs/dbraw/zinc/49/06/18/563490618.db2.gz KOXRRWLBJCUTGH-UHFFFAOYSA-N 0 3 307.756 3.657 50 0 DHAAHN C[C@H](NCC[C@H](C)[S@](C)=O)c1cc2cc(Cl)ccc2o1 ZINC000097034752 563515974 /nfs/dbraw/zinc/51/59/74/563515974.db2.gz RZYBPQYEYUABPM-SULUTDIPSA-N 0 3 313.850 3.894 50 0 DHAAHN CN1CCC(OC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000000206670 563230297 /nfs/dbraw/zinc/23/02/97/563230297.db2.gz SCPZJYUBCGVFCS-UHFFFAOYSA-N 0 3 323.392 3.562 50 0 DHAAHN CCOCCCNCc1ccccc1OCc1ccccc1F ZINC000002178116 563301372 /nfs/dbraw/zinc/30/13/72/563301372.db2.gz PLYJITDLXYZPLV-UHFFFAOYSA-N 0 3 317.404 3.921 50 0 DHAAHN CCCCOc1ccccc1NC(=O)OC[C@@H]1CCCCN1C ZINC000003130187 563322509 /nfs/dbraw/zinc/32/25/09/563322509.db2.gz JHFFPLHBCMXGSF-HNNXBMFYSA-N 0 3 320.433 3.898 50 0 DHAAHN Cc1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006727030 563334025 /nfs/dbraw/zinc/33/40/25/563334025.db2.gz QZYABVAYGSLVNV-UHFFFAOYSA-N 0 3 323.440 3.781 50 0 DHAAHN C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008535064 563347434 /nfs/dbraw/zinc/34/74/34/563347434.db2.gz HEYYIYIRJMJLED-GFCCVEGCSA-N 0 3 323.795 3.529 50 0 DHAAHN COc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000010362549 563357050 /nfs/dbraw/zinc/35/70/50/563357050.db2.gz YXTCUESWHYWLOV-UHFFFAOYSA-N 0 3 310.397 3.543 50 0 DHAAHN C[C@H](c1cccnc1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229923058 563372311 /nfs/dbraw/zinc/37/23/11/563372311.db2.gz KKOOIDKFASFXOP-DGCLKSJQSA-N 0 3 324.350 3.764 50 0 DHAAHN CCOc1ccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012982363 563376242 /nfs/dbraw/zinc/37/62/42/563376242.db2.gz FNTXRPSAGWHVRI-IBGZPJMESA-N 0 3 324.424 3.521 50 0 DHAAHN Oc1ccc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)cc1 ZINC000015079412 563407025 /nfs/dbraw/zinc/40/70/25/563407025.db2.gz BHAVIFYDZDEGDO-QGZVFWFLSA-N 0 3 300.377 3.608 50 0 DHAAHN c1coc(-c2nnc(CN3CCC[C@@H]3Cc3ccccc3)o2)c1 ZINC000025358656 563422547 /nfs/dbraw/zinc/42/25/47/563422547.db2.gz GXGJTOAHVKMGDA-OAHLLOKOSA-N 0 3 309.369 3.537 50 0 DHAAHN Cc1ccc([C@@H](CNC(=O)C(C)C)N2CCCCCC2)cc1 ZINC000027662458 563429140 /nfs/dbraw/zinc/42/91/40/563429140.db2.gz WGEQKDFGDBCSCQ-GOSISDBHSA-N 0 3 302.462 3.684 50 0 DHAAHN CCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027662750 563429545 /nfs/dbraw/zinc/42/95/45/563429545.db2.gz JWUQMBFXAGSCQO-SFHVURJKSA-N 0 3 302.462 3.828 50 0 DHAAHN CCCc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000000568120 563448153 /nfs/dbraw/zinc/44/81/53/563448153.db2.gz BHCBMINIBNBATN-VQIMIIECSA-N 0 3 313.441 3.730 50 0 DHAAHN CCn1c2ccccc2c2cc(CN3CCN(C)CC3)ccc21 ZINC000022027589 563448883 /nfs/dbraw/zinc/44/88/83/563448883.db2.gz UQYVWCKTZJOALY-UHFFFAOYSA-N 0 3 307.441 3.562 50 0 DHAAHN C[C@@H](NC[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000002686922 563448976 /nfs/dbraw/zinc/44/89/76/563448976.db2.gz MEFYHBGGTGOIRY-RDTXWAMCSA-N 0 3 319.832 3.568 50 0 DHAAHN Clc1ccc(CNCCCOc2ccccn2)cc1Cl ZINC000035287338 563452416 /nfs/dbraw/zinc/45/24/16/563452416.db2.gz JYAJMIDCKAZLAV-UHFFFAOYSA-N 0 3 311.212 3.947 50 0 DHAAHN CC(C)[C@H](NC(=O)C[C@H](N)c1ccccc1)c1cccs1 ZINC000037031194 563458086 /nfs/dbraw/zinc/45/80/86/563458086.db2.gz FHQXRTLBKQJZHF-YOEHRIQHSA-N 0 3 302.443 3.652 50 0 DHAAHN CCC[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000033028943 563468069 /nfs/dbraw/zinc/46/80/69/563468069.db2.gz IHXACGYPPGLOPZ-WOJBJXKFSA-N 0 3 324.468 3.989 50 0 DHAAHN CC(C)[C@H](C)N(Cc1ccco1)Cc1ccccc1OCCO ZINC000055054158 563470728 /nfs/dbraw/zinc/47/07/28/563470728.db2.gz VWXMUAOGVDTOGB-INIZCTEOSA-N 0 3 317.429 3.697 50 0 DHAAHN COc1ccc(Oc2ncccc2F)cc1CN1CCCC1 ZINC000071278628 563498527 /nfs/dbraw/zinc/49/85/27/563498527.db2.gz LQTOFDCRPGHIBJ-UHFFFAOYSA-N 0 3 302.349 3.617 50 0 DHAAHN CC(C)Oc1ccc([C@H](O)CNCc2ccc(F)c(F)c2)cc1 ZINC000076016702 563505673 /nfs/dbraw/zinc/50/56/73/563505673.db2.gz JDXJURDSNSODOB-GOSISDBHSA-N 0 3 321.367 3.575 50 0 DHAAHN CN1CC[C@H]2CN(C(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000077537788 563511929 /nfs/dbraw/zinc/51/19/29/563511929.db2.gz WOYYHILBXKWTAD-QFBILLFUSA-N 0 3 321.424 3.521 50 0 DHAAHN Fc1ccc2c(c1)CCC[C@H]2NCc1cccc(-c2nc[nH]n2)c1 ZINC000097230749 563514067 /nfs/dbraw/zinc/51/40/67/563514067.db2.gz MBHLHNKJWUQDCY-GOSISDBHSA-N 0 3 322.387 3.778 50 0 DHAAHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN(C)[C@@H](C)C1CC1 ZINC000079949731 563618000 /nfs/dbraw/zinc/61/80/00/563618000.db2.gz AMRCHEXOZFYEQS-STQMWFEESA-N 0 3 308.853 3.590 50 0 DHAAHN O[C@H](C[C@@H]1CCCCCN1Cc1ccccn1)c1ccco1 ZINC000108105052 563686776 /nfs/dbraw/zinc/68/67/76/563686776.db2.gz RALQCDQKKYIZEJ-DLBZAZTESA-N 0 3 300.402 3.543 50 0 DHAAHN COc1ccc(-c2n[nH]cc2CNCc2ccc(C)s2)cc1 ZINC000044949402 563687094 /nfs/dbraw/zinc/68/70/94/563687094.db2.gz MGQUNUMABHCSLA-UHFFFAOYSA-N 0 3 313.426 3.745 50 0 DHAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CC(C)(C)C ZINC000108336742 563688281 /nfs/dbraw/zinc/68/82/81/563688281.db2.gz RLPJXNQNQYXKHE-DOTOQJQBSA-N 0 3 300.446 3.566 50 0 DHAAHN CCN1CCC[C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000048769185 563699712 /nfs/dbraw/zinc/69/97/12/563699712.db2.gz WBRWGWKZGUGRLC-NSHDSACASA-N 0 3 316.232 3.599 50 0 DHAAHN CN(CCC[C@@H]1CCCO1)Cc1ccccc1OC(F)(F)F ZINC000215262648 563704144 /nfs/dbraw/zinc/70/41/44/563704144.db2.gz BFLFUHAWWCSMBS-CQSZACIVSA-N 0 3 317.351 3.976 50 0 DHAAHN CN(Cc1ccc2cccc(Cl)c2n1)[C@@H]1CCCC[C@@H]1O ZINC000215564920 563706179 /nfs/dbraw/zinc/70/61/79/563706179.db2.gz PABTZNOCMSNUHH-CVEARBPZSA-N 0 3 304.821 3.624 50 0 DHAAHN CCOc1ccc(-c2ccc(CN3CC[C@@H](COC)C3)o2)cc1 ZINC000215734549 563706963 /nfs/dbraw/zinc/70/69/63/563706963.db2.gz FGZGADQLFROULV-OAHLLOKOSA-N 0 3 315.413 3.814 50 0 DHAAHN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccsc1 ZINC000216346895 563709124 /nfs/dbraw/zinc/70/91/24/563709124.db2.gz JLTNRBBPRXLELE-QGZVFWFLSA-N 0 3 314.454 3.705 50 0 DHAAHN CN1CCCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000008178092 563719810 /nfs/dbraw/zinc/71/98/10/563719810.db2.gz FBGSWTQHRQBART-UHFFFAOYSA-N 0 3 324.453 3.500 50 0 DHAAHN C[C@@H](c1ccccn1)N(C)CCC(=O)Nc1ccccc1Cl ZINC000244633392 563778862 /nfs/dbraw/zinc/77/88/62/563778862.db2.gz GCEJDZIRDXWIGJ-ZDUSSCGKSA-N 0 3 317.820 3.757 50 0 DHAAHN CC[C@H](C)NCc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248245774 563782640 /nfs/dbraw/zinc/78/26/40/563782640.db2.gz QJICGVVCXBPWBW-INIZCTEOSA-N 0 3 320.440 3.882 50 0 DHAAHN Cc1nc(N)nc(N)c1/C=C\[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000211039160 563785240 /nfs/dbraw/zinc/78/52/40/563785240.db2.gz KXBLWJBWPHUIPI-CHDHTGKKSA-N 0 3 322.334 3.785 50 0 DHAAHN OCCC[C@H]1CCCN1Cc1cc2ccccc2nc1Cl ZINC000052759525 563793962 /nfs/dbraw/zinc/79/39/62/563793962.db2.gz AFDLODLWSPKQBW-OAHLLOKOSA-N 0 3 304.821 3.625 50 0 DHAAHN COc1ccc(-c2nnc([C@H](C)N3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000052804399 563808046 /nfs/dbraw/zinc/80/80/46/563808046.db2.gz QCBYCAKLDSMCBZ-IHRRRGAJSA-N 0 3 315.417 3.784 50 0 DHAAHN Cc1ccccc1[C@@H](NCc1ccc([S@](C)=O)cc1)C1CC1 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182391754 /nfs/dbraw/zinc/39/17/54/182391754.db2.gz JSXRABLUFOWJAS-UHFFFAOYSA-N 0 3 321.424 3.719 50 0 DHAAHN CC(C)(C)CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000038584347 183003678 /nfs/dbraw/zinc/00/36/78/183003678.db2.gz WAWOPFCOEPWDNE-UHFFFAOYSA-N 0 3 308.491 3.513 50 0 DHAAHN C[C@H](CNC(=O)Nc1ccccc1Cl)N1CCC[C@H](C)C1 ZINC000105673405 194119261 /nfs/dbraw/zinc/11/92/61/194119261.db2.gz NUMRBBIMQWTPNK-QWHCGFSZSA-N 0 3 309.841 3.582 50 0 DHAAHN Cc1cc(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C(C)C)no1 ZINC000057383490 184036959 /nfs/dbraw/zinc/03/69/59/184036959.db2.gz QTKQUOXQYQCFEA-MRXNPFEDSA-N 0 3 321.808 3.562 50 0 DHAAHN CC[C@@H](c1ccc(Cl)cc1)N1CCC(CNC(C)=O)CC1 ZINC000057862079 184058739 /nfs/dbraw/zinc/05/87/39/184058739.db2.gz LHLLPNSIRHWJSK-KRWDZBQOSA-N 0 3 308.853 3.639 50 0 DHAAHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000058160742 184082085 /nfs/dbraw/zinc/08/20/85/184082085.db2.gz WOMYCCHEVCKNIG-QWRGUYRKSA-N 0 3 322.330 3.782 50 0 DHAAHN 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3.550 50 0 DHAAHN c1ccc(N[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000011937916 337229273 /nfs/dbraw/zinc/22/92/73/337229273.db2.gz PPSCQAPLSVLYQZ-LJQANCHMSA-N 0 3 308.425 3.698 50 0 DHAAHN Cc1cc([C@H](C)NC2CCN(c3nccs3)CC2)c(C)o1 ZINC000097237301 337382573 /nfs/dbraw/zinc/38/25/73/337382573.db2.gz RDLHDNRWGDJPFB-LBPRGKRZSA-N 0 3 305.447 3.673 50 0 DHAAHN CC(C)[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1cccs1 ZINC000037031196 563457812 /nfs/dbraw/zinc/45/78/12/563457812.db2.gz FHQXRTLBKQJZHF-PBHICJAKSA-N 0 3 302.443 3.652 50 0 DHAAHN CCOC(=O)C1C=C(c2ccccc2)C=CN=C1N(CC)CC ZINC000000343274 563242828 /nfs/dbraw/zinc/24/28/28/563242828.db2.gz VHBIZFWKROPEBX-QGZVFWFLSA-N 0 3 312.413 3.517 50 0 DHAAHN C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1 ZINC000000383056 563248200 /nfs/dbraw/zinc/24/82/00/563248200.db2.gz YWFIXCGNWMHCTQ-CQSZACIVSA-N 0 3 301.361 3.503 50 0 DHAAHN OCCN[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002049802 563298317 /nfs/dbraw/zinc/29/83/17/563298317.db2.gz RHNKSODMKAMSHB-CQSZACIVSA-N 0 3 305.830 3.670 50 0 DHAAHN C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008497927 563347218 /nfs/dbraw/zinc/34/72/18/563347218.db2.gz HEYYIYIRJMJLED-LBPRGKRZSA-N 0 3 323.795 3.529 50 0 DHAAHN O=C(NC1CCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000010365278 563356534 /nfs/dbraw/zinc/35/65/34/563356534.db2.gz NKCBIRUKJDLYES-UHFFFAOYSA-N 0 3 300.446 3.735 50 0 DHAAHN Cc1ccccc1CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010434136 563356785 /nfs/dbraw/zinc/35/67/85/563356785.db2.gz JJGDSTFXMHCOBY-UHFFFAOYSA-N 0 3 322.452 3.911 50 0 DHAAHN CCOc1ccc(CNCc2ccc3c(c2)OCO3)cc1Cl ZINC000010474967 563357355 /nfs/dbraw/zinc/35/73/55/563357355.db2.gz QCBRBVSJPMPEDE-UHFFFAOYSA-N 0 3 319.788 3.757 50 0 DHAAHN CCc1ccc([C@@H](CNc2cnc3ccccc3n2)N(C)C)cc1 ZINC000012789989 563373697 /nfs/dbraw/zinc/37/36/97/563373697.db2.gz IBSFYKRVRYMIIT-LJQANCHMSA-N 0 3 320.440 3.907 50 0 DHAAHN OCc1ccc(CN2CCC[C@H](CCc3cccc(F)c3)C2)o1 ZINC000014967141 563404889 /nfs/dbraw/zinc/40/48/89/563404889.db2.gz GOWYNPXTTJQRTH-MRXNPFEDSA-N 0 3 317.404 3.756 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000015070999 563407127 /nfs/dbraw/zinc/40/71/27/563407127.db2.gz KAALEHBGCAADDQ-OAHLLOKOSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1ccc(CNCCNc2ncc(Cl)cc2Cl)s1 ZINC000072310922 563449123 /nfs/dbraw/zinc/44/91/23/563449123.db2.gz YAJNBYUJCLYKKL-UHFFFAOYSA-N 0 3 316.257 3.960 50 0 DHAAHN Clc1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1 ZINC000035268962 563452775 /nfs/dbraw/zinc/45/27/75/563452775.db2.gz MSBZEBYTJLNQFX-UHFFFAOYSA-N 0 3 315.804 3.976 50 0 DHAAHN CCC[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000033028945 563468309 /nfs/dbraw/zinc/46/83/09/563468309.db2.gz IHXACGYPPGLOPZ-VQTJNVASSA-N 0 3 324.468 3.989 50 0 DHAAHN CC[C@H](C)N(Cc1cccnc1)Cc1ccc2c(c1)OCCO2 ZINC000055413750 563475285 /nfs/dbraw/zinc/47/52/85/563475285.db2.gz WQGMKLDHKJERBB-HNNXBMFYSA-N 0 3 312.413 3.654 50 0 DHAAHN CN(CCO)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000055392580 563475468 /nfs/dbraw/zinc/47/54/68/563475468.db2.gz PUSMBGWSVOJTKY-UHFFFAOYSA-N 0 3 317.432 3.903 50 0 DHAAHN CN(C)Cc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000096410956 563480150 /nfs/dbraw/zinc/48/01/50/563480150.db2.gz WDXOIDZEMTWUTJ-MRXNPFEDSA-N 0 3 312.438 3.576 50 0 DHAAHN CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(C)cc1C ZINC000071385464 563499081 /nfs/dbraw/zinc/49/90/81/563499081.db2.gz JJHKAKGWSYMJAV-GOSISDBHSA-N 0 3 302.462 3.603 50 0 DHAAHN COc1ccc(OC)c([C@H]2CCN(Cc3ccsc3)C2)c1 ZINC000077454350 563511317 /nfs/dbraw/zinc/51/13/17/563511317.db2.gz SXXAEFBLCWJBHI-AWEZNQCLSA-N 0 3 303.427 3.755 50 0 DHAAHN CC(C)OC[C@@H](O)CN(C)Cc1ccc(-c2ccccc2)cc1 ZINC000097287386 563515283 /nfs/dbraw/zinc/51/52/83/563515283.db2.gz XAIWLTBHSBMGBQ-FQEVSTJZSA-N 0 3 313.441 3.571 50 0 DHAAHN C[C@@H](Nc1ccccc1CN1CCC(O)CC1)C1CCCC1 ZINC000097037808 563516710 /nfs/dbraw/zinc/51/67/10/563516710.db2.gz NKZBLALATLUDHY-OAHLLOKOSA-N 0 3 302.462 3.634 50 0 DHAAHN Cc1ccccc1CNCc1ccc(NC(=O)NC(C)C)cc1 ZINC000048784780 563699665 /nfs/dbraw/zinc/69/96/65/563699665.db2.gz UJFBZXIRRNQWIA-UHFFFAOYSA-N 0 3 311.429 3.815 50 0 DHAAHN c1ccc2[nH]c(-c3cccnc3SCCN3CCCC3)nc2c1 ZINC000049371992 563700951 /nfs/dbraw/zinc/70/09/51/563700951.db2.gz PHVXUHNDHURNQD-UHFFFAOYSA-N 0 3 324.453 3.813 50 0 DHAAHN c1cc(C2CCCC2)sc1C[N@@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000215193090 563704053 /nfs/dbraw/zinc/70/40/53/563704053.db2.gz KCABXSLLNMJOLW-AWEZNQCLSA-N 0 3 316.474 3.903 50 0 DHAAHN c1cc(C2CCCC2)sc1C[N@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000215193090 563704056 /nfs/dbraw/zinc/70/40/56/563704056.db2.gz KCABXSLLNMJOLW-AWEZNQCLSA-N 0 3 316.474 3.903 50 0 DHAAHN COc1ccc(CN2CCC(F)CC2)c2c(OC)cccc12 ZINC000216546691 563710267 /nfs/dbraw/zinc/71/02/67/563710267.db2.gz PGGPYXGAQGLONM-UHFFFAOYSA-N 0 3 303.377 3.791 50 0 DHAAHN Cc1cc([C@@H]2CCCN2C[C@@H](O)c2ccc(Cl)cc2)on1 ZINC000222109615 563724019 /nfs/dbraw/zinc/72/40/19/563724019.db2.gz BNGGLLHEJSDTGP-LSDHHAIUSA-N 0 3 306.793 3.507 50 0 DHAAHN Cc1cccc(Cn2nc(CNC(C)C)c(-c3ccccc3)n2)c1 ZINC000247948443 563782061 /nfs/dbraw/zinc/78/20/61/563782061.db2.gz XLYKAQTWPDHQKC-UHFFFAOYSA-N 0 3 320.440 3.800 50 0 DHAAHN CCCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248000407 563782273 /nfs/dbraw/zinc/78/22/73/563782273.db2.gz NYHHGTNCIBABGM-UHFFFAOYSA-N 0 3 324.403 3.632 50 0 DHAAHN CCC(=O)N[C@@H]1CCCN([C@@H](C)CCSc2ccccc2)C1 ZINC000084718679 563829693 /nfs/dbraw/zinc/82/96/93/563829693.db2.gz DLGNDWTWKHHPGJ-JKSUJKDBSA-N 0 3 320.502 3.548 50 0 DHAAHN C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1Cl ZINC000078896935 563843847 /nfs/dbraw/zinc/84/38/47/563843847.db2.gz NMPUDUNWAMLGKL-GDZNZVCISA-N 0 3 320.864 3.638 50 0 DHAAHN Cc1ccc2[nH]c([C@H]3CCCN([C@H](C)c4cnccn4)C3)nc2c1 ZINC000248615426 563845166 /nfs/dbraw/zinc/84/51/66/563845166.db2.gz KBESNSDOKGJHPN-CABCVRRESA-N 0 3 321.428 3.602 50 0 DHAAHN Cc1ccc2nc([C@H]3CCCN([C@H](C)c4cnccn4)C3)[nH]c2c1 ZINC000248615426 563845171 /nfs/dbraw/zinc/84/51/71/563845171.db2.gz KBESNSDOKGJHPN-CABCVRRESA-N 0 3 321.428 3.602 50 0 DHAAHN O[C@@H](CN1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000013005605 563874956 /nfs/dbraw/zinc/87/49/56/563874956.db2.gz XCINSJOBIPZONT-NRFANRHFSA-N 0 3 318.420 3.991 50 0 DHAAHN Cc1noc(C)c1CN1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000089529355 563890819 /nfs/dbraw/zinc/89/08/19/563890819.db2.gz UKFCSWBTBKAHNL-RDJZCZTQSA-N 0 3 318.417 3.753 50 0 DHAAHN CC(C)CN(Cc1ccsc1)C[C@H](O)COc1ccccc1 ZINC000036099191 563893746 /nfs/dbraw/zinc/89/37/46/563893746.db2.gz SCDBDLUOOGFMNO-KRWDZBQOSA-N 0 3 319.470 3.646 50 0 DHAAHN CCCN(Cc1ccsc1)C[C@@H](O)COc1ccccc1C ZINC000036099484 563893773 /nfs/dbraw/zinc/89/37/73/563893773.db2.gz RWEXBWFUMRXBGL-QGZVFWFLSA-N 0 3 319.470 3.708 50 0 DHAAHN CC(C)OC[C@@H](O)CN(Cc1cccs1)Cc1ccccc1 ZINC000036103318 563893830 /nfs/dbraw/zinc/89/38/30/563893830.db2.gz ZRGBNHGFCOGFEK-KRWDZBQOSA-N 0 3 319.470 3.536 50 0 DHAAHN C[C@H](NC(=O)CN1CCCCCC1)c1ccc2c(c1)CCCC2 ZINC000007339557 563905442 /nfs/dbraw/zinc/90/54/42/563905442.db2.gz JZUWDUVBWPEOBN-INIZCTEOSA-N 0 3 314.473 3.619 50 0 DHAAHN C[C@H](Cc1ccsc1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000170591426 563906651 /nfs/dbraw/zinc/90/66/51/563906651.db2.gz QXRXJSRWRGQYQC-XCLFUZPHSA-N 0 3 307.484 3.549 50 0 DHAAHN CCCCc1ccc(NC(=S)NC[C@H]2CCCN2CC)cc1 ZINC000007561252 563908775 /nfs/dbraw/zinc/90/87/75/563908775.db2.gz OYXBBJFZVIRYGN-QGZVFWFLSA-N 0 3 319.518 3.800 50 0 DHAAHN COc1ccc(C)cc1[C@H](C)NCc1cccc(-c2nc[nH]n2)c1 ZINC000089731434 563911101 /nfs/dbraw/zinc/91/11/01/563911101.db2.gz WQSSQKRRNGTAIA-AWEZNQCLSA-N 0 3 322.412 3.640 50 0 DHAAHN Cc1nccn1CCN1CCC[C@H]1Cc1ccccc1Cl ZINC000089735724 563911192 /nfs/dbraw/zinc/91/11/92/563911192.db2.gz DGBSGGNWFDUDNX-INIZCTEOSA-N 0 3 303.837 3.552 50 0 DHAAHN COc1ccccc1-c1nnc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000195568844 563919797 /nfs/dbraw/zinc/91/97/97/563919797.db2.gz VKHCNQVUEUZTGC-VNHYZAJKSA-N 0 3 315.417 3.660 50 0 DHAAHN Cc1ccc(CN(C(=O)CN(C)[C@H]2CCCC[C@@H]2C)C2CC2)o1 ZINC000195670086 563919964 /nfs/dbraw/zinc/91/99/64/563919964.db2.gz MOMNAZHJXDUYNN-KSSFIOAISA-N 0 3 318.461 3.590 50 0 DHAAHN O=C(c1ccoc1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000106638384 563926278 /nfs/dbraw/zinc/92/62/78/563926278.db2.gz YTUUAGUYVVANQS-RTBURBONSA-N 0 3 324.424 3.549 50 0 DHAAHN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000225443885 563928215 /nfs/dbraw/zinc/92/82/15/563928215.db2.gz SDJLWMHAPFDCMV-SJCJKPOMSA-N 0 3 318.367 3.574 50 0 DHAAHN C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1Cl ZINC000078896929 563930017 /nfs/dbraw/zinc/93/00/17/563930017.db2.gz NMPUDUNWAMLGKL-IIYDPXPESA-N 0 3 320.864 3.638 50 0 DHAAHN Cc1nc(CCN[C@@H](C)c2ccc3c(c2)OCCCO3)cs1 ZINC000095419979 563931382 /nfs/dbraw/zinc/93/13/82/563931382.db2.gz BTFPQLMATXKJPK-LBPRGKRZSA-N 0 3 318.442 3.506 50 0 DHAAHN Cc1cc(C(=O)N(CCN(C)C)c2ccccc2)sc1C ZINC000095957030 563932409 /nfs/dbraw/zinc/93/24/09/563932409.db2.gz OFRNQFKOJQYQDC-UHFFFAOYSA-N 0 3 302.443 3.573 50 0 DHAAHN C[C@H](NC[C@@](C)(O)c1cccs1)c1cnc2ccsc2c1 ZINC000095968309 563933178 /nfs/dbraw/zinc/93/31/78/563933178.db2.gz LUBMEQVMYMOYGR-MEDUHNTESA-N 0 3 318.467 3.916 50 0 DHAAHN Cc1ccc([O-])c(C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000095982291 563933853 /nfs/dbraw/zinc/93/38/53/563933853.db2.gz UNCZRBFKSLMYGV-UHFFFAOYSA-N 0 3 323.396 3.616 50 0 DHAAHN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cccc(CO)c2)c1 ZINC000095988797 563934084 /nfs/dbraw/zinc/93/40/84/563934084.db2.gz ITIVZQKDAXNEIL-ZIAGYGMSSA-N 0 3 312.413 3.549 50 0 DHAAHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(CSC(F)F)o1 ZINC000096003693 563934673 /nfs/dbraw/zinc/93/46/73/563934673.db2.gz TWMGANMPZHXDMT-AWEZNQCLSA-N 0 3 318.433 3.507 50 0 DHAAHN CC(C)[C@@H](NC1CCCCC1)c1nc(-c2cccnc2)no1 ZINC000162815749 563941751 /nfs/dbraw/zinc/94/17/51/563941751.db2.gz IXMBORLHSKPGLU-OAHLLOKOSA-N 0 3 300.406 3.751 50 0 DHAAHN Cc1cnc(CN2CCC[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000670457153 563945099 /nfs/dbraw/zinc/94/50/99/563945099.db2.gz OJNXKSGRPZSLRV-HNNXBMFYSA-N 0 3 301.821 3.818 50 0 DHAAHN CN(C)Cc1ccc(CNC(=O)c2ccc3ccccc3c2)cc1 ZINC000008062795 563946438 /nfs/dbraw/zinc/94/64/38/563946438.db2.gz ANXWSLAWYDRGNM-UHFFFAOYSA-N 0 3 318.420 3.831 50 0 DHAAHN CC(=O)c1ccc2[nH]c(C)c(CN3CCCCCC3)c(=O)c2c1 ZINC000008717268 563950220 /nfs/dbraw/zinc/95/02/20/563950220.db2.gz AGPGZIABSRTLFE-UHFFFAOYSA-N 0 3 312.413 3.827 50 0 DHAAHN c1ccc2oc([C@@H]3CCCN(C[C@@H]4CCCCO4)C3)nc2c1 ZINC000069876336 563955267 /nfs/dbraw/zinc/95/52/67/563955267.db2.gz PYEGMPUJZVMPGR-CABCVRRESA-N 0 3 300.402 3.576 50 0 DHAAHN CN(C)[C@H](CNC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000010017723 563958124 /nfs/dbraw/zinc/95/81/24/563958124.db2.gz SHJGRJGIHMCXBW-MRXNPFEDSA-N 0 3 317.820 3.764 50 0 DHAAHN Cc1cc(CNCc2ccccc2Cn2ccnc2)ccc1F ZINC000078552308 563961150 /nfs/dbraw/zinc/96/11/50/563961150.db2.gz QQHVQWSGXBQWJR-UHFFFAOYSA-N 0 3 309.388 3.669 50 0 DHAAHN CC[C@H]1C=CCN1Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1 ZINC000952982964 1032682876 /nfs/dbraw/zinc/68/28/76/1032682876.db2.gz QRXFMYRMVWRKHK-HNNXBMFYSA-N 0 3 309.365 3.767 50 0 DHAAHN CCCN(Cc1ccncc1)CC1=Cc2cccc(OC)c2OC1 ZINC000822910683 1020379198 /nfs/dbraw/zinc/37/91/98/1020379198.db2.gz MRTSTEBPOYVHDC-UHFFFAOYSA-N 0 3 324.424 3.778 50 0 DHAAHN Cc1csc(CNC2CCN(c3ccccc3Cl)CC2)n1 ZINC000825258300 1020637518 /nfs/dbraw/zinc/63/75/18/1020637518.db2.gz OSJKBRMIINGYQD-UHFFFAOYSA-N 0 3 321.877 3.864 50 0 DHAAHN C[C@H](NCCCNc1ccccc1)c1cc(Br)no1 ZINC000888098987 1024703883 /nfs/dbraw/zinc/70/38/83/1024703883.db2.gz SAYAYIDPCDPOFF-NSHDSACASA-N 0 3 324.222 3.590 50 0 DHAAHN O=C(NC1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000012853771 1029546922 /nfs/dbraw/zinc/54/69/22/1029546922.db2.gz ROEUGCIRTOWMDJ-JXMROGBWSA-N 0 3 320.436 3.594 50 0 DHAAHN CCc1ccc2occ(C(=O)N(CC)C3CCN(C)CC3)c2c1 ZINC000585087872 1029710489 /nfs/dbraw/zinc/71/04/89/1029710489.db2.gz ZAHZRNKPGBZXJW-UHFFFAOYSA-N 0 3 314.429 3.552 50 0 DHAAHN C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(Cc2ccncc2)C1 ZINC000095500913 185374865 /nfs/dbraw/zinc/37/48/65/185374865.db2.gz DVVPABPRCRYFBO-FQEVSTJZSA-N 0 3 324.424 3.655 50 0 DHAAHN Cn1ccnc1[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000082108797 192356771 /nfs/dbraw/zinc/35/67/71/192356771.db2.gz UYNNBVOHUZHBAS-CQSZACIVSA-N 0 3 323.362 3.819 50 0 DHAAHN O[C@@H](C[C@@H]1CCCCCN1Cc1ccccn1)c1ccco1 ZINC000095413231 185357968 /nfs/dbraw/zinc/35/79/68/185357968.db2.gz RALQCDQKKYIZEJ-IRXDYDNUSA-N 0 3 300.402 3.543 50 0 DHAAHN COc1cc(OC)c([C@@H](C)NCCc2ccccn2)cc1Cl ZINC000095419165 185359968 /nfs/dbraw/zinc/35/99/68/185359968.db2.gz IOEGCWWQINLBEV-GFCCVEGCSA-N 0 3 320.820 3.646 50 0 DHAAHN CCn1nc(C)c([C@@H](C)NCc2ccc(-n3cccn3)cc2)c1C ZINC000095420347 185360251 /nfs/dbraw/zinc/36/02/51/185360251.db2.gz XBHCFFVUNZWADV-CQSZACIVSA-N 0 3 323.444 3.556 50 0 DHAAHN Cc1nc(S[C@H](C)C(F)(F)F)n(C[C@H]2CCCO2)c1C ZINC000095427280 185361899 /nfs/dbraw/zinc/36/18/99/185361899.db2.gz ORAPJXHLFRJGJT-GHMZBOCLSA-N 0 3 308.369 3.722 50 0 DHAAHN C[C@H](NCCCc1nc2c(s1)CCCC2)c1cncc(F)c1 ZINC000095421700 185360883 /nfs/dbraw/zinc/36/08/83/185360883.db2.gz SMSYHPZVZHSWII-LBPRGKRZSA-N 0 3 319.449 3.839 50 0 DHAAHN CC(C)c1nccn1C[C@H](c1ccc(F)cc1)N1CCCC1 ZINC000071751867 191023876 /nfs/dbraw/zinc/02/38/76/191023876.db2.gz HBVOXGMIKDCERR-QGZVFWFLSA-N 0 3 301.409 3.983 50 0 DHAAHN CCOc1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000072333672 191124757 /nfs/dbraw/zinc/12/47/57/191124757.db2.gz QAAWHEZINKKLLN-UHFFFAOYSA-N 0 3 302.462 3.536 50 0 DHAAHN CCCC[C@H](C(=O)Nc1ccc2c(c1)C[C@@H](C)O2)N(CC)CC ZINC000004063965 181068483 /nfs/dbraw/zinc/06/84/83/181068483.db2.gz VCXCSUROFHCUQZ-RHSMWYFYSA-N 0 3 318.461 3.849 50 0 biogenic DHAAHN CCCC[C@H](C(=O)Nc1ccc2c(c1)C[C@H](C)O2)N(CC)CC ZINC000004063961 181068492 /nfs/dbraw/zinc/06/84/92/181068492.db2.gz VCXCSUROFHCUQZ-WMLDXEAASA-N 0 3 318.461 3.849 50 0 biogenic DHAAHN C[C@H]1CCC[C@H](N2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004133692 181077131 /nfs/dbraw/zinc/07/71/31/181077131.db2.gz RVWFFGFGNAMNDI-YOEHRIQHSA-N 0 3 320.864 3.677 50 0 DHAAHN C[C@@H]1CCC[C@H](N2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004133690 181077532 /nfs/dbraw/zinc/07/75/32/181077532.db2.gz RVWFFGFGNAMNDI-PBHICJAKSA-N 0 3 320.864 3.677 50 0 DHAAHN COc1ccc(NC(=O)c2ccc(CSC)cc2)c(OC)c1 ZINC000005461308 181246222 /nfs/dbraw/zinc/24/62/22/181246222.db2.gz TWVOWMHYPRJLTB-UHFFFAOYSA-N 0 3 317.410 3.819 50 0 DHAAHN C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000005559757 181257514 /nfs/dbraw/zinc/25/75/14/181257514.db2.gz OMMABXQBKXLFFT-OXJNMPFZSA-N 0 3 321.420 3.930 50 0 DHAAHN CCC(=O)N1CC[C@H](N[C@@H](C)c2cc3ccccc3s2)C1 ZINC000188156487 200202021 /nfs/dbraw/zinc/20/20/21/200202021.db2.gz BMHLVSKIGLAEOX-JSGCOSHPSA-N 0 3 302.443 3.563 50 0 DHAAHN Cc1ccc(-c2ccccc2-c2cn([C@H](C)CN(C)C)nn2)o1 ZINC000091643817 193084056 /nfs/dbraw/zinc/08/40/56/193084056.db2.gz SCISLNTZEPQPMS-CYBMUJFWSA-N 0 3 310.401 3.636 50 0 DHAAHN CCS[C@H]1CCCCN(Cc2sc(N(C)C)nc2C)C1 ZINC000093361858 193238086 /nfs/dbraw/zinc/23/80/86/193238086.db2.gz QMJSNOGYPFMYEF-ZDUSSCGKSA-N 0 3 313.536 3.625 50 0 DHAAHN CN1CCCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000012740517 181791013 /nfs/dbraw/zinc/79/10/13/181791013.db2.gz DDCFERBSDXLCSX-UHFFFAOYSA-N 0 3 324.453 3.500 50 0 DHAAHN COc1ccc(CCN(C)Cc2cccc(F)c2)cc1OC ZINC000019606944 182132942 /nfs/dbraw/zinc/13/29/42/182132942.db2.gz WLMJQBWVWQTLSN-UHFFFAOYSA-N 0 3 303.377 3.517 50 0 DHAAHN CN(C)CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000019872314 182159178 /nfs/dbraw/zinc/15/91/78/182159178.db2.gz XNMBSXOODBHNGL-UHFFFAOYSA-N 0 3 313.228 3.905 50 0 DHAAHN CC1=C(CCN2CCN(C(C)C)[C@@H](CCO)C2)C(C)(C)CCC1 ZINC000020363715 182211572 /nfs/dbraw/zinc/21/15/72/182211572.db2.gz KFDIJWYEMTYRGK-SFHVURJKSA-N 0 3 322.537 3.680 50 0 DHAAHN CN1CCN(CCCOc2ccc3ccccc3c2Cl)CC1 ZINC000020639752 182241006 /nfs/dbraw/zinc/24/10/06/182241006.db2.gz OCFMFSSLGJCPTI-UHFFFAOYSA-N 0 3 318.848 3.510 50 0 DHAAHN CN(CCc1ccccn1)Cc1cc(Br)cs1 ZINC000023114976 182348715 /nfs/dbraw/zinc/34/87/15/182348715.db2.gz UOAYWMILSFJUOF-UHFFFAOYSA-N 0 3 311.248 3.580 50 0 DHAAHN Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000024761665 182390099 /nfs/dbraw/zinc/39/00/99/182390099.db2.gz RBVWKWWFVYUWQN-UHFFFAOYSA-N 0 3 311.429 3.591 50 0 DHAAHN CC(C)Cc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2)cc1 ZINC000040017887 183028008 /nfs/dbraw/zinc/02/80/08/183028008.db2.gz XNARDKRWPUOOMJ-OAHLLOKOSA-N 0 3 310.441 3.835 50 0 DHAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1cc(F)cc(F)c1 ZINC000040086935 183032185 /nfs/dbraw/zinc/03/21/85/183032185.db2.gz LAWDIJMOGGDKOI-UHFFFAOYSA-N 0 3 316.351 3.813 50 0 DHAAHN CCCCN[C@@H]1C(C)=C(C)C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000057270775 184031662 /nfs/dbraw/zinc/03/16/62/184031662.db2.gz SSBLOYDKKYDGAY-KXBFYZLASA-N 0 3 314.473 3.902 50 0 DHAAHN Cc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000065363052 184328192 /nfs/dbraw/zinc/32/81/92/184328192.db2.gz CRWDKTNYBCKUIP-UHFFFAOYSA-N 0 3 324.424 3.720 50 0 DHAAHN O=C(Nc1ccccc1-c1ccccc1)N1[C@@H]2CC[C@H]1CNCC2 ZINC000065398666 184336736 /nfs/dbraw/zinc/33/67/36/184336736.db2.gz SLJASDQFHDMVAW-SJORKVTESA-N 0 3 321.424 3.712 50 0 DHAAHN C[C@@H](NCc1cnc(-c2ccccc2)s1)[C@H](C)n1cccn1 ZINC000069418070 184513329 /nfs/dbraw/zinc/51/33/29/184513329.db2.gz ZLZVEJZFASRVEB-KGLIPLIRSA-N 0 3 312.442 3.746 50 0 DHAAHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000157237091 197172459 /nfs/dbraw/zinc/17/24/59/197172459.db2.gz XMPSKZSAWMRXOM-ZBFHGGJFSA-N 0 3 318.461 3.525 50 0 DHAAHN CC[C@@H](CN(C)C)NC(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000426651420 257244112 /nfs/dbraw/zinc/24/41/12/257244112.db2.gz VENCVMOVVAVBOX-SFHVURJKSA-N 0 3 314.404 3.563 50 0 DHAAHN FC1(F)Oc2cccc(-c3ccc(CN4CCCC4)cn3)c2O1 ZINC000426536228 257247959 /nfs/dbraw/zinc/24/79/59/257247959.db2.gz DVRQXWDLKBUQHU-UHFFFAOYSA-N 0 3 318.323 3.666 50 0 DHAAHN Clc1ccc(-c2cc(CN[C@@H]3CCCSC3)on2)cc1 ZINC000534672332 334321047 /nfs/dbraw/zinc/32/10/47/334321047.db2.gz RYSPUAHGONDASJ-CYBMUJFWSA-N 0 3 308.834 3.980 50 0 DHAAHN c1ccc(N[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000011937917 337229313 /nfs/dbraw/zinc/22/93/13/337229313.db2.gz PPSCQAPLSVLYQZ-IBGZPJMESA-N 0 3 308.425 3.698 50 0 DHAAHN Cc1ccc(C(C)C)cc1OCCOCCN1CCCCC1 ZINC000003003906 563321046 /nfs/dbraw/zinc/32/10/46/563321046.db2.gz PCHRJDPFXRWDIY-UHFFFAOYSA-N 0 3 305.462 4.000 50 0 DHAAHN C[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)s1 ZINC000037020893 563457038 /nfs/dbraw/zinc/45/70/38/563457038.db2.gz BHJSUOSPYWNLPB-JQWIXIFHSA-N 0 3 308.834 3.669 50 0 DHAAHN C[C@@H](CCc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000000279858 563235353 /nfs/dbraw/zinc/23/53/53/563235353.db2.gz KSWHYEJFCPWUJD-KRWDZBQOSA-N 0 3 312.432 3.969 50 0 DHAAHN CCOC(=O)CCCC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000002514542 563305056 /nfs/dbraw/zinc/30/50/56/563305056.db2.gz BZQJWZJHAIYNAH-UHFFFAOYSA-N 0 3 317.429 3.589 50 0 DHAAHN C[C@@H]1CCCN(CCC(=O)c2ccc(Br)cc2)C1 ZINC000002882017 563317058 /nfs/dbraw/zinc/31/70/58/563317058.db2.gz LTVWWXITZWRJJV-GFCCVEGCSA-N 0 3 310.235 3.754 50 0 DHAAHN COc1cccc(N2CCN(Cc3ccc(C)cc3C)CC2)c1 ZINC000004980400 563328205 /nfs/dbraw/zinc/32/82/05/563328205.db2.gz TVSYUWGMBIUIRV-UHFFFAOYSA-N 0 3 310.441 3.634 50 0 DHAAHN CC(=O)c1ccc(N2CCN(CC3CCCCC3)CC2)cc1 ZINC000006667522 563333344 /nfs/dbraw/zinc/33/33/44/563333344.db2.gz HVVXBSVAIPJESK-UHFFFAOYSA-N 0 3 300.446 3.592 50 0 DHAAHN Cc1ccc(-c2nc(CN3CCC[C@@H]3C(C)(C)O)cs2)cc1 ZINC000119060563 563342561 /nfs/dbraw/zinc/34/25/61/563342561.db2.gz SLQGKRUGIJXZCA-MRXNPFEDSA-N 0 3 316.470 3.854 50 0 DHAAHN CCOc1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010434159 563357076 /nfs/dbraw/zinc/35/70/76/563357076.db2.gz PNDHZBFISZBCNE-UHFFFAOYSA-N 0 3 324.424 3.933 50 0 DHAAHN CCc1ccc([C@H](CNc2cnc3ccccc3n2)N(C)C)cc1 ZINC000012789993 563374112 /nfs/dbraw/zinc/37/41/12/563374112.db2.gz IBSFYKRVRYMIIT-IBGZPJMESA-N 0 3 320.440 3.907 50 0 DHAAHN CC[C@@H](CNC(=O)c1cc2ccccc2s1)N1CCCC1 ZINC000032654048 563375588 /nfs/dbraw/zinc/37/55/88/563375588.db2.gz RINUDAASZOHTDJ-AWEZNQCLSA-N 0 3 302.443 3.506 50 0 DHAAHN Cn1cc(CN2CCC[C@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000014970253 563404821 /nfs/dbraw/zinc/40/48/21/563404821.db2.gz VMOPWNSVMMUJIX-OAHLLOKOSA-N 0 3 319.399 3.543 50 0 DHAAHN Oc1ccc(N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000023750415 563419703 /nfs/dbraw/zinc/41/97/03/563419703.db2.gz FAZMJQBQBSOFNQ-UHFFFAOYSA-N 0 3 318.420 3.868 50 0 DHAAHN CN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000029569567 563454144 /nfs/dbraw/zinc/45/41/44/563454144.db2.gz PEXCQWULUILEAE-UHFFFAOYSA-N 0 3 320.440 3.591 50 0 DHAAHN O=c1[nH]c2cc(F)ccc2cc1CN1CCC[C@@H]1c1ccco1 ZINC000067741483 563489318 /nfs/dbraw/zinc/48/93/18/563489318.db2.gz VVQBQWFPCILXCA-MRXNPFEDSA-N 0 3 312.344 3.597 50 0 DHAAHN Cc1ccc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1C ZINC000071278953 563498377 /nfs/dbraw/zinc/49/83/77/563498377.db2.gz CSYFTMWGQACJIJ-GOSISDBHSA-N 0 3 316.489 3.678 50 0 DHAAHN c1ccc2c(c1)Oc1c(cccc1-c1nc3c([nH]1)CNCC3)S2 ZINC000097743041 563541685 /nfs/dbraw/zinc/54/16/85/563541685.db2.gz DISSXWRVBWAUBF-UHFFFAOYSA-N 0 3 321.405 3.979 50 0 DHAAHN Cn1nccc1-c1cccc(-c2ccc(CN3CCCC3)cn2)c1 ZINC000097742581 563541752 /nfs/dbraw/zinc/54/17/52/563541752.db2.gz HZZLGTBEMQCDIV-UHFFFAOYSA-N 0 3 318.424 3.745 50 0 DHAAHN Cc1cccc(-c2nc3ccccc3c(NCCN(C)C)n2)c1 ZINC000000144301 563573182 /nfs/dbraw/zinc/57/31/82/563573182.db2.gz KHDBFSWPFGWWCC-UHFFFAOYSA-N 0 3 306.413 3.579 50 0 DHAAHN CC(C)Oc1ccccc1CNCCc1nc2ccccc2[nH]1 ZINC000113401348 563581668 /nfs/dbraw/zinc/58/16/68/563581668.db2.gz GPJDDRCNPCTPHR-UHFFFAOYSA-N 0 3 309.413 3.682 50 0 DHAAHN CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000000299280 563585270 /nfs/dbraw/zinc/58/52/70/563585270.db2.gz XUPYFJVHOULUCN-UHFFFAOYSA-N 0 3 322.452 3.557 50 0 DHAAHN COc1ccc(C[C@H](C)NCc2ccccc2F)cc1OC ZINC000012383605 563652454 /nfs/dbraw/zinc/65/24/54/563652454.db2.gz PRPJCZIPKBGMGL-ZDUSSCGKSA-N 0 3 303.377 3.564 50 0 DHAAHN CSc1cccc(CN2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC000215168412 563703984 /nfs/dbraw/zinc/70/39/84/563703984.db2.gz GKUWGBVGRVGMMB-LJQANCHMSA-N 0 3 312.482 3.897 50 0 DHAAHN CCc1cc(CN(C)Cc2cc(CN3CCCC3)cs2)on1 ZINC000215541408 563706272 /nfs/dbraw/zinc/70/62/72/563706272.db2.gz IBRGBDPTYIXKOT-UHFFFAOYSA-N 0 3 319.474 3.526 50 0 DHAAHN Cc1nccn1CCCN(C)[C@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244719033 563779292 /nfs/dbraw/zinc/77/92/92/563779292.db2.gz LVQDSNFPWOGMEH-OAHLLOKOSA-N 0 3 323.444 3.665 50 0 DHAAHN Cc1ccccc1[C@@H]1CCCN1CC(=O)N(C)c1ccccc1 ZINC000052212599 563785967 /nfs/dbraw/zinc/78/59/67/563785967.db2.gz NVTGRPWDXDGODU-IBGZPJMESA-N 0 3 308.425 3.795 50 0 DHAAHN c1ccc2c(c1)-c1ccccc1C2NCCCOC1CCOCC1 ZINC000183905302 563795873 /nfs/dbraw/zinc/79/58/73/563795873.db2.gz FGOOCJKFWGGJTF-UHFFFAOYSA-N 0 3 323.436 3.932 50 0 DHAAHN COc1ccc(-c2n[nH]cc2CN[C@@H](C)c2ccccc2)cc1 ZINC000012530335 563798283 /nfs/dbraw/zinc/79/82/83/563798283.db2.gz PXQKFNGMODRZDE-AWEZNQCLSA-N 0 3 307.397 3.936 50 0 DHAAHN C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000012553175 563800870 /nfs/dbraw/zinc/80/08/70/563800870.db2.gz VMZOXZLEGDCPIP-ZBEGNZNMSA-N 0 3 316.351 3.569 50 0 DHAAHN C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000012553167 563800978 /nfs/dbraw/zinc/80/09/78/563800978.db2.gz VMZOXZLEGDCPIP-BDJLRTHQSA-N 0 3 316.351 3.569 50 0 DHAAHN c1cc(-c2noc(CN3CCC[C@H]4CCCC[C@H]43)n2)cs1 ZINC000012739581 563818887 /nfs/dbraw/zinc/81/88/87/563818887.db2.gz LUWLQDIYACZGME-TZMCWYRMSA-N 0 3 303.431 3.953 50 0 DHAAHN Cc1ccsc1CNc1ccccc1CN1CCC(O)CC1 ZINC000084257570 563825390 /nfs/dbraw/zinc/82/53/90/563825390.db2.gz VUKPBQRGYSHVQS-UHFFFAOYSA-N 0 3 316.470 3.625 50 0 DHAAHN CCN(CC)CCOC(=O)Nc1c(Cl)cccc1Cl ZINC000001590765 563846656 /nfs/dbraw/zinc/84/66/56/563846656.db2.gz FIMYZQJHMZSAJX-UHFFFAOYSA-N 0 3 305.205 3.884 50 0 DHAAHN CC(C)(C)[C@H](NCc1cccc(C(N)=O)c1)c1ccc(F)cc1 ZINC000053644041 563864888 /nfs/dbraw/zinc/86/48/88/563864888.db2.gz YXEYOGUMGJSKQX-QGZVFWFLSA-N 0 3 314.404 3.802 50 0 DHAAHN CCCCN(CCCC)CCn1c(=N)onc1-c1ccccc1 ZINC000102197601 563866609 /nfs/dbraw/zinc/86/66/09/563866609.db2.gz MKCRZTPVCCWJOJ-UHFFFAOYSA-N 0 3 316.449 3.525 50 0 DHAAHN Fc1ccc(C2(NC/C=C/c3ccco3)CCOCC2)cc1 ZINC000096485903 563875585 /nfs/dbraw/zinc/87/55/85/563875585.db2.gz HOKQNUWDMMDFDU-HNQUOIGGSA-N 0 3 301.361 3.727 50 0 DHAAHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc2cccnc21 ZINC000242302387 563881054 /nfs/dbraw/zinc/88/10/54/563881054.db2.gz YSEDTRIIHSNJFJ-NXHRZFHOSA-N 0 3 324.424 3.541 50 0 DHAAHN C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@H](C)c1cncc(F)c1 ZINC000245727232 563881933 /nfs/dbraw/zinc/88/19/33/563881933.db2.gz XQELPOJZVOKLSL-PSTGCABASA-N 0 3 306.356 3.523 50 0 DHAAHN CC[C@@H](C)N(Cc1ccsc1)C[C@@H](O)COc1ccccc1 ZINC000169679201 563895075 /nfs/dbraw/zinc/89/50/75/563895075.db2.gz MAPZNZMWFKTVOB-NVXWUHKLSA-N 0 3 319.470 3.789 50 0 DHAAHN C[C@@H](Cc1ccsc1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000170591425 563906635 /nfs/dbraw/zinc/90/66/35/563906635.db2.gz QXRXJSRWRGQYQC-RBZFPXEDSA-N 0 3 307.484 3.549 50 0 DHAAHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccccc3)CC[C@@H]21 ZINC000201157388 563926755 /nfs/dbraw/zinc/92/67/55/563926755.db2.gz DEZFOMKNEZXHRG-SJORKVTESA-N 0 3 316.445 3.518 50 0 DHAAHN COC(=O)C(C)(C)C(C)(C)NCc1ccccc1OC(C)C ZINC000079109520 563930307 /nfs/dbraw/zinc/93/03/07/563930307.db2.gz FPBICRGBYQDYKF-UHFFFAOYSA-N 0 3 307.434 3.541 50 0 DHAAHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cccc(CO)c2)c1 ZINC000095988794 563934147 /nfs/dbraw/zinc/93/41/47/563934147.db2.gz ITIVZQKDAXNEIL-KBPBESRZSA-N 0 3 312.413 3.549 50 0 DHAAHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cccc(CO)c2)c1 ZINC000095988795 563934162 /nfs/dbraw/zinc/93/41/62/563934162.db2.gz ITIVZQKDAXNEIL-KGLIPLIRSA-N 0 3 312.413 3.549 50 0 DHAAHN CCN1CCN(c2ccc(NC(=O)CC(C)(C)C)c(C)c2)CC1 ZINC000029375190 563941298 /nfs/dbraw/zinc/94/12/98/563941298.db2.gz VXQDKWOHYAZSPK-UHFFFAOYSA-N 0 3 317.477 3.512 50 0 DHAAHN c1ccc(N2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000057605260 563942132 /nfs/dbraw/zinc/94/21/32/563942132.db2.gz NQWYEYFGOSSLKQ-UHFFFAOYSA-N 0 3 303.409 3.557 50 0 DHAAHN CC1=C(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]cn3)C2)C(C)(C)CCC1 ZINC000670440561 563943922 /nfs/dbraw/zinc/94/39/22/563943922.db2.gz UIUFPOLXGNKJIA-HNNXBMFYSA-N 0 3 315.461 3.888 50 0 DHAAHN CC1=C(C[N@H+]2CCC[C@H](c3cc(=O)[n-]cn3)C2)C(C)(C)CCC1 ZINC000670440561 563943923 /nfs/dbraw/zinc/94/39/23/563943923.db2.gz UIUFPOLXGNKJIA-HNNXBMFYSA-N 0 3 315.461 3.888 50 0 DHAAHN CC/C=C(/CN1CCC(OCCOC)CC1)c1ccccc1 ZINC000670450462 563944369 /nfs/dbraw/zinc/94/43/69/563944369.db2.gz HYFNXGRDHBDPBU-WSVATBPTSA-N 0 3 303.446 3.607 50 0 DHAAHN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000067813687 563950215 /nfs/dbraw/zinc/95/02/15/563950215.db2.gz OZBILATVXWOPSI-WOJBJXKFSA-N 0 3 320.436 3.568 50 0 DHAAHN C[C@H](c1cccc(F)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000069324589 563952308 /nfs/dbraw/zinc/95/23/08/563952308.db2.gz KYIQRMMOZPZMET-CQSZACIVSA-N 0 3 324.403 3.809 50 0 DHAAHN CN1CCC(Nc2ccccc2NC(=O)c2cccs2)CC1 ZINC000069570184 563953637 /nfs/dbraw/zinc/95/36/37/563953637.db2.gz YSFULVZMNHTJLF-UHFFFAOYSA-N 0 3 315.442 3.507 50 0 DHAAHN C[C@@H](C(=O)N(C)c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000069699220 563954114 /nfs/dbraw/zinc/95/41/14/563954114.db2.gz WLMRZHOTYMHCHD-WMZOPIPTSA-N 0 3 308.425 3.527 50 0 DHAAHN CC(C)[C@H](C)CC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000069808793 563954802 /nfs/dbraw/zinc/95/48/02/563954802.db2.gz JQTCZLQXTHIPNN-OAHLLOKOSA-N 0 3 317.477 3.813 50 0 DHAAHN O[C@H](CN(Cc1ccco1)C1CCCC1)c1ccc(F)cc1 ZINC000071811000 563958733 /nfs/dbraw/zinc/95/87/33/563958733.db2.gz FOPPUUIYQVRUFM-GOSISDBHSA-N 0 3 303.377 3.897 50 0 DHAAHN Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000097095248 568413602 /nfs/dbraw/zinc/41/36/02/568413602.db2.gz UABMCAFNKFCCLR-UKRRQHHQSA-N 0 3 321.852 3.596 50 0 DHAAHN Cc1[nH]c2ccccc2c1CN1CCN(Cc2ccccc2)CC1 ZINC000022454572 1014848321 /nfs/dbraw/zinc/84/83/21/1014848321.db2.gz UWPSWBRFPQBVOR-UHFFFAOYSA-N 0 3 319.452 3.794 50 0 DHAAHN Cc1c[nH]c(CNCC[C@H](c2ccco2)c2ccc(F)cc2)n1 ZINC000952971274 1032675845 /nfs/dbraw/zinc/67/58/45/1032675845.db2.gz JIQGCCSJTHEBIF-INIZCTEOSA-N 0 3 313.376 3.762 50 0 DHAAHN CN(Cc1cnn2cccnc12)C[C@@]1(c2ccccc2)CC1(C)C ZINC000952984448 1032682599 /nfs/dbraw/zinc/68/25/99/1032682599.db2.gz LBTZLKLPPXORAN-HXUWFJFHSA-N 0 3 320.440 3.529 50 0 DHAAHN COc1ccc([C@@H](C)CN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528740751 1020345839 /nfs/dbraw/zinc/34/58/39/1020345839.db2.gz IIFKMLGXZYUIGP-AWEZNQCLSA-N 0 3 323.440 3.524 50 0 DHAAHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1cccc(Cl)c1Cl ZINC000163594550 1021196529 /nfs/dbraw/zinc/19/65/29/1021196529.db2.gz KRUKXSXMAOSDSC-PRHODGIISA-N 0 3 303.233 3.544 50 0 DHAAHN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C(N)=O)cc2)o1 ZINC000076120596 1028557319 /nfs/dbraw/zinc/55/73/19/1028557319.db2.gz WJDJWQUPNWNYDY-GUYCJALGSA-N 0 3 312.413 3.660 50 0 DHAAHN C[C@H](NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 ZINC000095419734 185360240 /nfs/dbraw/zinc/36/02/40/185360240.db2.gz NJFKIUJRPMXIFZ-GWCFXTLKSA-N 0 3 313.369 3.979 50 0 DHAAHN c1cn(-c2ccc(CN[C@H](CC3CC3)c3ccccc3)cn2)cn1 ZINC000095409540 185357066 /nfs/dbraw/zinc/35/70/66/185357066.db2.gz ILCOXBSXFGXWOV-LJQANCHMSA-N 0 3 318.424 3.898 50 0 DHAAHN OCc1cccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000095421975 185360900 /nfs/dbraw/zinc/36/09/00/185360900.db2.gz NUAKBEGJOSRDTR-GOSISDBHSA-N 0 3 309.409 3.715 50 0 DHAAHN CC(C)c1ccc(/C=C/CC(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000095450367 185368717 /nfs/dbraw/zinc/36/87/17/185368717.db2.gz BSSZSEVSHWQANN-JFDDCEBESA-N 0 3 314.473 3.812 50 0 DHAAHN COCCCN(C)CCSc1ccnc2cc(Cl)ccc21 ZINC000095454772 185369854 /nfs/dbraw/zinc/36/98/54/185369854.db2.gz YOUFRDQSGGHIAE-UHFFFAOYSA-N 0 3 324.877 3.949 50 0 DHAAHN Cc1ncccc1CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000097032589 185399455 /nfs/dbraw/zinc/39/94/55/185399455.db2.gz FFQPJZBUPVSNPV-MRXNPFEDSA-N 0 3 306.413 3.646 50 0 DHAAHN Cc1nc(C2CC[NH+](Cc3cc4ccccc4o3)CC2)cc(=O)[n-]1 ZINC000072140033 191047489 /nfs/dbraw/zinc/04/74/89/191047489.db2.gz QUCSDMAESYRDPU-UHFFFAOYSA-N 0 3 323.396 3.616 50 0 DHAAHN Cc1ccc(CN2CCC3(CC2)c2ccccc2C[C@H]3O)s1 ZINC000072125424 191042082 /nfs/dbraw/zinc/04/20/82/191042082.db2.gz ZAOKGFGFDSCJEB-GOSISDBHSA-N 0 3 313.466 3.507 50 0 DHAAHN Cc1cccc(C)c1-c1cc(NCCN(C)C)nc2[nH]ccc21 ZINC000072161745 191062149 /nfs/dbraw/zinc/06/21/49/191062149.db2.gz CMKVHZYONXDEEC-UHFFFAOYSA-N 0 3 308.429 3.820 50 0 DHAAHN Cc1nc(CN2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)co1 ZINC000072162026 191062187 /nfs/dbraw/zinc/06/21/87/191062187.db2.gz DICNUVXHLJEBNY-AWEZNQCLSA-N 0 3 310.401 3.547 50 0 DHAAHN Cn1ccc2c1nccc2-c1ccc(CN2CCCCC2)cn1 ZINC000072164026 191064273 /nfs/dbraw/zinc/06/42/73/191064273.db2.gz ZPUCWKIAJAYKQQ-UHFFFAOYSA-N 0 3 306.413 3.621 50 0 DHAAHN CC(=O)c1ccc(OC[C@@H]2CCCN3CCCC[C@H]23)cc1C ZINC000072165357 191065759 /nfs/dbraw/zinc/06/57/59/191065759.db2.gz NLMLTVICXYPYBE-QFBILLFUSA-N 0 3 301.430 3.841 50 0 DHAAHN COc1ccc2c(c1)n[nH]c2CN1CCCC[C@H]1c1ccccn1 ZINC000072171459 191069422 /nfs/dbraw/zinc/06/94/22/191069422.db2.gz YOQUHLOMVAPRRR-IBGZPJMESA-N 0 3 322.412 3.694 50 0 DHAAHN COc1cc(C(C)=O)ccc1OC[C@@H]1CCCN2CCCC[C@H]12 ZINC000072409471 191154483 /nfs/dbraw/zinc/15/44/83/191154483.db2.gz NAGNOALXTIVSJN-DLBZAZTESA-N 0 3 317.429 3.541 50 0 DHAAHN Cc1c(CN2CCC(Sc3ccccc3C)CC2)cnn1C ZINC000072418780 191156528 /nfs/dbraw/zinc/15/65/28/191156528.db2.gz CSYATBDFYYONKX-UHFFFAOYSA-N 0 3 315.486 3.794 50 0 DHAAHN Cc1cncc(-n2ccnc2-c2ccc([C@H](C)N(C)C)cc2)c1 ZINC000072427118 191161082 /nfs/dbraw/zinc/16/10/82/191161082.db2.gz ALRNXVJNFPCSOL-HNNXBMFYSA-N 0 3 306.413 3.865 50 0 DHAAHN C[C@H](c1ccccn1)N(C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072453464 191171081 /nfs/dbraw/zinc/17/10/81/191171081.db2.gz PVEIPQDOFXHKTR-MRXNPFEDSA-N 0 3 312.457 3.978 50 0 DHAAHN CCN(CC)CCN1c2c3c(sc2CCCC1=O)CCCC3 ZINC000000192096 180721138 /nfs/dbraw/zinc/72/11/38/180721138.db2.gz JXBHXICOBQMIEX-UHFFFAOYSA-N 0 3 320.502 3.638 50 0 DHAAHN Cc1ccc(CN[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000003338311 181008287 /nfs/dbraw/zinc/00/82/87/181008287.db2.gz CJHGXPOGHWPUIO-LBPRGKRZSA-N 0 3 320.795 3.904 50 0 DHAAHN CNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000005073316 181201458 /nfs/dbraw/zinc/20/14/58/181201458.db2.gz HMVSNDRBFVZJAK-UHFFFAOYSA-N 0 3 322.452 3.501 50 0 DHAAHN C[C@@H]1C[C@@H](C)CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000005186286 181215019 /nfs/dbraw/zinc/21/50/19/181215019.db2.gz KXPRFOGIFRLJDK-ZIAGYGMSSA-N 0 3 311.425 3.760 50 0 biogenic DHAAHN CC(C)c1csc([C@H]2CCCN(Cc3ccnc(N)c3)C2)n1 ZINC000193359194 201038038 /nfs/dbraw/zinc/03/80/38/201038038.db2.gz AAKFCLTVSNKYTB-AWEZNQCLSA-N 0 3 316.474 3.623 50 0 DHAAHN Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000006558958 181355340 /nfs/dbraw/zinc/35/53/40/181355340.db2.gz HCZVFQMOMAATRN-UHFFFAOYSA-N 0 3 303.789 3.709 50 0 DHAAHN COc1ccc(NC(=N)SCc2ccc(CN(C)C)o2)cc1 ZINC000006625026 181362021 /nfs/dbraw/zinc/36/20/21/181362021.db2.gz IBQZRBKFCPECLQ-UHFFFAOYSA-N 0 3 319.430 3.630 50 0 DHAAHN Cc1ccc(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)o1 ZINC000093566164 193269391 /nfs/dbraw/zinc/26/93/91/193269391.db2.gz DFDVFBYMKLUHBA-UHFFFAOYSA-N 0 3 313.323 3.710 50 0 DHAAHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000015550708 182005987 /nfs/dbraw/zinc/00/59/87/182005987.db2.gz FZDXHMKECYBJGV-UHFFFAOYSA-N 0 3 308.425 3.846 50 0 DHAAHN O=C(C[C@H]1NCCc2ccccc21)Nc1cccc(Cl)c1 ZINC000020404868 182214924 /nfs/dbraw/zinc/21/49/24/182214924.db2.gz YTWCWCMSJVIGPX-MRXNPFEDSA-N 0 3 300.789 3.556 50 0 DHAAHN CN(C)Cc1ccccc1CNC(=O)c1cccc2ccccc21 ZINC000021938388 182298639 /nfs/dbraw/zinc/29/86/39/182298639.db2.gz SDJJCJSGHJNSCY-UHFFFAOYSA-N 0 3 318.420 3.831 50 0 DHAAHN CCN(CC)[C@H](CNC(=O)c1sccc1C)c1ccccc1 ZINC000022752174 182332380 /nfs/dbraw/zinc/33/23/80/182332380.db2.gz QNUFLAAPNBWQPD-MRXNPFEDSA-N 0 3 316.470 3.869 50 0 DHAAHN CCN(CC)[C@@H](CNC(=O)c1sccc1C)c1ccccc1 ZINC000022752167 182332515 /nfs/dbraw/zinc/33/25/15/182332515.db2.gz QNUFLAAPNBWQPD-INIZCTEOSA-N 0 3 316.470 3.869 50 0 DHAAHN COc1ccc(CNCCc2ccc(Cl)cc2)c(OC)c1C ZINC000023550080 182363208 /nfs/dbraw/zinc/36/32/08/182363208.db2.gz BIVDOLJIIRVBJA-UHFFFAOYSA-N 0 3 319.832 3.998 50 0 DHAAHN CN(C)Cc1ccccc1NC(=O)c1ccccc1OC(F)F ZINC000024809301 182391471 /nfs/dbraw/zinc/39/14/71/182391471.db2.gz CIIHCKUBEDMKJT-UHFFFAOYSA-N 0 3 320.339 3.602 50 0 DHAAHN O=C1Nc2ccccc2CN1C1CCN(Cc2ccccc2)CC1 ZINC000039381936 183017250 /nfs/dbraw/zinc/01/72/50/183017250.db2.gz IIJKKEKDXSQIEH-UHFFFAOYSA-N 0 3 321.424 3.699 50 0 DHAAHN CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC000040449924 183068495 /nfs/dbraw/zinc/06/84/95/183068495.db2.gz YTGCOTYSXLIHNV-UHFFFAOYSA-N 0 3 316.445 3.520 50 0 DHAAHN COc1ccc2ccccc2c1[C@@H]1NCC[C@@]2(O)CCCC[C@H]12 ZINC000043155979 183342316 /nfs/dbraw/zinc/34/23/16/183342316.db2.gz IPCTZAPSIHIEIV-AHRSYUTCSA-N 0 3 311.425 3.804 50 0 DHAAHN COc1ccc([C@H]2C[C@@H](C)N(Cc3nc(C)c(C)o3)C2)cc1 ZINC000110607749 194343167 /nfs/dbraw/zinc/34/31/67/194343167.db2.gz BYBMAZJWTHVUAJ-WBMJQRKESA-N 0 3 300.402 3.678 50 0 DHAAHN C[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000057411287 184037487 /nfs/dbraw/zinc/03/74/87/184037487.db2.gz HINFCUOERTUGCP-MRXNPFEDSA-N 0 3 323.440 3.576 50 0 DHAAHN CCCCc1noc([C@@H](C)N2CCN(CCC(C)(C)C)CC2)n1 ZINC000057992258 184065731 /nfs/dbraw/zinc/06/57/31/184065731.db2.gz DTYBEWIOGWDOKQ-OAHLLOKOSA-N 0 3 322.497 3.527 50 0 DHAAHN Cc1ccc(C)c(NC(=O)CNC2(c3ccccc3)CCC2)c1 ZINC000058145387 184080830 /nfs/dbraw/zinc/08/08/30/184080830.db2.gz HZNOSCZXKASXOR-UHFFFAOYSA-N 0 3 308.425 3.911 50 0 DHAAHN CN(C(=O)CN(CC1CCCCC1)C1CC1)c1ccccc1 ZINC000059391048 184137843 /nfs/dbraw/zinc/13/78/43/184137843.db2.gz LUIXDSAJIIYVNS-UHFFFAOYSA-N 0 3 300.446 3.694 50 0 DHAAHN Cc1ccsc1CN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000065287947 184322665 /nfs/dbraw/zinc/32/26/65/184322665.db2.gz DLOKORYGRHSUPU-CQSZACIVSA-N 0 3 304.463 3.609 50 0 DHAAHN Cc1ccsc1[C@@H]1CCN(Cc2ccc(C)cc2)C[C@H]1O ZINC000065397216 184335963 /nfs/dbraw/zinc/33/59/63/184335963.db2.gz BZJHGGDLIBUFQF-IAGOWNOFSA-N 0 3 301.455 3.715 50 0 DHAAHN Cc1ccc(-n2cc(C3=CCN(CCCF)CC3)cn2)cc1C ZINC000065398377 184336481 /nfs/dbraw/zinc/33/64/81/184336481.db2.gz DGAFBWSEBLLFSL-UHFFFAOYSA-N 0 3 313.420 3.938 50 0 DHAAHN c1cc(-c2ccccc2)oc1CN[C@H]1CCO[C@@H]1c1cccnc1 ZINC000285183324 131145764 /nfs/dbraw/zinc/14/57/64/131145764.db2.gz VPBRZFJAZSQJPD-AZUAARDMSA-N 0 3 320.392 3.961 50 0 DHAAHN O=C(CCN(Cc1ccc(Cl)cc1)C1CC1)N1CCCCC1 ZINC000053128629 563823954 /nfs/dbraw/zinc/82/39/54/563823954.db2.gz CWKYXOKNEFZYHV-UHFFFAOYSA-N 0 3 320.864 3.707 50 0 DHAAHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000026466607 563426041 /nfs/dbraw/zinc/42/60/41/563426041.db2.gz CQUXPSSVNJRRNB-SCRDCRAPSA-N 0 3 308.853 3.953 50 0 DHAAHN COC(=O)CN1C(C)=Nc2ccc(C)cc2[C@H]1c1ccccc1 ZINC000000179149 563228615 /nfs/dbraw/zinc/22/86/15/563228615.db2.gz VWBYNUFXYIBZNI-LJQANCHMSA-N 0 3 308.381 3.623 50 0 DHAAHN COc1ccc(CN2CCN(c3ccccc3)CC2)c(C)c1C ZINC000000282530 563235953 /nfs/dbraw/zinc/23/59/53/563235953.db2.gz SBUJZZRVSMMSRJ-UHFFFAOYSA-N 0 3 310.441 3.634 50 0 DHAAHN COc1ccc(Sc2ccccc2CN(C)C)cc1OC ZINC000000346752 563242509 /nfs/dbraw/zinc/24/25/09/563242509.db2.gz WIWAVSPKHCRIKC-UHFFFAOYSA-N 0 3 303.427 3.917 50 0 DHAAHN C[C@@H](CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000000383094 563248046 /nfs/dbraw/zinc/24/80/46/563248046.db2.gz BVODEVLJXZALEU-KRWDZBQOSA-N 0 3 323.436 3.846 50 0 DHAAHN CCOC(=O)OC1(Cc2cccc(Cl)c2)CCN(C)CC1 ZINC000002529374 563307924 /nfs/dbraw/zinc/30/79/24/563307924.db2.gz SMQBUAOZEZPTFZ-UHFFFAOYSA-N 0 3 311.809 3.520 50 0 DHAAHN Cc1cc(OCCOCCN2CCCCC2)cc(C(C)C)c1 ZINC000003000369 563320508 /nfs/dbraw/zinc/32/05/08/563320508.db2.gz YNYSPDHKKYIRHD-UHFFFAOYSA-N 0 3 305.462 4.000 50 0 DHAAHN COc1ccc(CC[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000012439115 563370089 /nfs/dbraw/zinc/37/00/89/563370089.db2.gz CSGAXWOOCSGOBO-GOSISDBHSA-N 0 3 310.441 3.935 50 0 DHAAHN Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000012939632 563375591 /nfs/dbraw/zinc/37/55/91/563375591.db2.gz HUHGDKCLOCANDO-IBGZPJMESA-N 0 3 323.440 3.954 50 0 DHAAHN c1nc(-c2ccccc2)sc1CN[C@H]1COc2ccccc2C1 ZINC000014978057 563404766 /nfs/dbraw/zinc/40/47/66/563404766.db2.gz TXNRFINRRKIPGX-MRXNPFEDSA-N 0 3 322.433 3.903 50 0 DHAAHN CN(C)CCN(C)Cc1ccccc1Sc1ccccc1F ZINC000033892371 563446478 /nfs/dbraw/zinc/44/64/78/563446478.db2.gz CJURUNISWCKFPK-UHFFFAOYSA-N 0 3 318.461 3.970 50 0 DHAAHN Fc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000060050085 563479675 /nfs/dbraw/zinc/47/96/75/563479675.db2.gz PCLWAFVRAWUFRN-UHFFFAOYSA-N 0 3 309.388 3.629 50 0 DHAAHN CCC(CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000060389999 563484219 /nfs/dbraw/zinc/48/42/19/563484219.db2.gz OUHRECPVLYLEEO-UHFFFAOYSA-N 0 3 317.477 3.512 50 0 DHAAHN Cc1nccn1CC[C@@H]1CCCCN1Cc1ccc(Cl)nc1 ZINC000067490231 563487645 /nfs/dbraw/zinc/48/76/45/563487645.db2.gz LWZAJJXRODXEPW-INIZCTEOSA-N 0 3 318.852 3.685 50 0 DHAAHN Cc1cccc([C@H](CNC(=O)c2sccc2Cl)N(C)C)c1 ZINC000067974062 563494258 /nfs/dbraw/zinc/49/42/58/563494258.db2.gz SGSNSWSQHFSUQZ-AWEZNQCLSA-N 0 3 322.861 3.743 50 0 DHAAHN Cc1cccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 ZINC000077535889 563511679 /nfs/dbraw/zinc/51/16/79/563511679.db2.gz BTLRUIKRIVMSNW-OAHLLOKOSA-N 0 3 306.413 3.646 50 0 DHAAHN CC[S@@](=O)[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1F ZINC000097229630 563514073 /nfs/dbraw/zinc/51/40/73/563514073.db2.gz RACIXPNHACUEFU-AVYPCKFXSA-N 0 3 317.857 3.649 50 0 DHAAHN O[C@@H](c1ccccc1)c1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 ZINC000000382805 563591175 /nfs/dbraw/zinc/59/11/75/563591175.db2.gz AHBSFBQHTBVUMG-NQIIRXRSSA-N 0 3 318.420 3.704 50 0 DHAAHN O[C@H](c1ccccc1)c1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 ZINC000000382806 563591316 /nfs/dbraw/zinc/59/13/16/563591316.db2.gz AHBSFBQHTBVUMG-WIYYLYMNSA-N 0 3 318.420 3.704 50 0 DHAAHN COCCNCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000247845452 563605976 /nfs/dbraw/zinc/60/59/76/563605976.db2.gz MNMGHCKXLNOTJK-UHFFFAOYSA-N 0 3 312.388 3.565 50 0 DHAAHN O[C@H](C[C@H]1CCCCCN1Cc1ccccn1)c1ccco1 ZINC000108105057 563686761 /nfs/dbraw/zinc/68/67/61/563686761.db2.gz RALQCDQKKYIZEJ-IAGOWNOFSA-N 0 3 300.402 3.543 50 0 DHAAHN CCN1CCC[C@@H]1CNC(=S)Nc1cccc2ccccc21 ZINC000048225100 563694126 /nfs/dbraw/zinc/69/41/26/563694126.db2.gz LIVXXRDCVOXLJO-OAHLLOKOSA-N 0 3 313.470 3.611 50 0 DHAAHN c1cc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000215327732 563705093 /nfs/dbraw/zinc/70/50/93/563705093.db2.gz WERMOKIARRFYKK-OAHLLOKOSA-N 0 3 324.453 3.913 50 0 DHAAHN c1cc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000215327732 563705096 /nfs/dbraw/zinc/70/50/96/563705096.db2.gz WERMOKIARRFYKK-OAHLLOKOSA-N 0 3 324.453 3.913 50 0 DHAAHN CC(C)n1cncc1CN1CCC2(CCc3ccccc32)CC1 ZINC000215867438 563707281 /nfs/dbraw/zinc/70/72/81/563707281.db2.gz MDIDYJNWLJHPTH-UHFFFAOYSA-N 0 3 309.457 3.944 50 0 DHAAHN C[C@H](CO)CNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000225517505 563757750 /nfs/dbraw/zinc/75/77/50/563757750.db2.gz STWKJNAUVUFHHC-JTQLQIEISA-N 0 3 314.212 3.971 50 0 DHAAHN CSc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)s1 ZINC000225551839 563758889 /nfs/dbraw/zinc/75/88/89/563758889.db2.gz YDVPEUMSFWCVQG-AWEZNQCLSA-N 0 3 322.499 3.990 50 0 DHAAHN CO[C@@H](c1ccccc1F)[C@H](C)NCc1cc(F)cc(F)c1 ZINC000241121745 563776732 /nfs/dbraw/zinc/77/67/32/563776732.db2.gz JDQWVTNSQMTIOX-APPDUMDISA-N 0 3 309.331 3.970 50 0 DHAAHN CN(CCCc1nccn1C)Cc1cc(C2CCCCC2)no1 ZINC000244724187 563779209 /nfs/dbraw/zinc/77/92/09/563779209.db2.gz MPLDXQHGUJCBNN-UHFFFAOYSA-N 0 3 316.449 3.520 50 0 DHAAHN CN(C)[C@H](CNc1ncnc2sccc21)c1ccc(F)cc1 ZINC000052486039 563787964 /nfs/dbraw/zinc/78/79/64/563787964.db2.gz PMJHHULDMOORBX-CQSZACIVSA-N 0 3 316.405 3.545 50 0 DHAAHN COc1ccc(-c2n[nH]cc2CNCc2ccccc2C)cc1 ZINC000012530340 563798261 /nfs/dbraw/zinc/79/82/61/563798261.db2.gz PCXRUBGGHOIQEN-UHFFFAOYSA-N 0 3 307.397 3.684 50 0 DHAAHN Cc1ccccc1CN(C)CCC(=O)N[C@H](C)c1ccccc1 ZINC000012754062 563825064 /nfs/dbraw/zinc/82/50/64/563825064.db2.gz NGAAALDUKMJIGP-QGZVFWFLSA-N 0 3 310.441 3.694 50 0 DHAAHN OCC1CCN(Cc2cccc(NCc3cccs3)c2)CC1 ZINC000086258288 563844700 /nfs/dbraw/zinc/84/47/00/563844700.db2.gz YCXYNWNFLNFJMF-UHFFFAOYSA-N 0 3 316.470 3.565 50 0 DHAAHN Cc1ccc2c(CN(C)CCOc3ccccc3)cc(=O)oc2c1 ZINC000012856553 563844936 /nfs/dbraw/zinc/84/49/36/563844936.db2.gz WAWYRJOCHVPIIX-UHFFFAOYSA-N 0 3 323.392 3.612 50 0 DHAAHN CC(=O)Nc1cccc([C@@H](C)NC[C@@H](C)c2c(C)noc2C)c1 ZINC000090762852 563875677 /nfs/dbraw/zinc/87/56/77/563875677.db2.gz ZVSACHBDANCMJU-VXGBXAGGSA-N 0 3 315.417 3.704 50 0 DHAAHN CCCN(Cc1cccs1)C[C@@H](O)COc1ccccc1C ZINC000036096633 563893982 /nfs/dbraw/zinc/89/39/82/563893982.db2.gz UMDUNEVNZUQZRC-MRXNPFEDSA-N 0 3 319.470 3.708 50 0 DHAAHN CCc1ccc(CNC(=O)C[C@@H](c2ccccc2)N(C)C)s1 ZINC000170614575 563908358 /nfs/dbraw/zinc/90/83/58/563908358.db2.gz IDCSVKOSOCNXGC-KRWDZBQOSA-N 0 3 316.470 3.620 50 0 DHAAHN CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000027205718 563915519 /nfs/dbraw/zinc/91/55/19/563915519.db2.gz LJHWMEFOWPATJQ-WOJBJXKFSA-N 0 3 323.436 3.855 50 0 DHAAHN Clc1ccc2c(c1)C1=C(CO2)C(c2ccccc2)=NCCN1 ZINC000104748206 563924201 /nfs/dbraw/zinc/92/42/01/563924201.db2.gz VMFYDMBSIUFSOW-UHFFFAOYSA-N 0 3 310.784 3.536 50 0 DHAAHN Cc1ccccc1[C@H]1CCCN1C(=O)C[C@H](N)c1ccccc1 ZINC000225444156 563928095 /nfs/dbraw/zinc/92/80/95/563928095.db2.gz WEABRRZHMVYCHS-RBUKOAKNSA-N 0 3 308.425 3.749 50 0 DHAAHN Cc1ccc(C)c([C@H](C)NCC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000095939078 563931968 /nfs/dbraw/zinc/93/19/68/563931968.db2.gz URDKRSKXTKIGJA-MSOLQXFVSA-N 0 3 324.468 3.874 50 0 DHAAHN COc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)c2ccccc12 ZINC000095968452 563933153 /nfs/dbraw/zinc/93/31/53/563933153.db2.gz RXBGKKFICYEPCW-UONOGXRCSA-N 0 3 309.413 3.994 50 0 DHAAHN COc1cccc2cc([C@@H](C)NC[C@@](C)(O)c3ccco3)oc21 ZINC000095987953 563934135 /nfs/dbraw/zinc/93/41/35/563934135.db2.gz YJFMIKGXJIVNPK-KZULUSFZSA-N 0 3 315.369 3.593 50 0 DHAAHN CCC(=O)N1CC[C@H](N[C@@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000095988000 563934172 /nfs/dbraw/zinc/93/41/72/563934172.db2.gz YVEDMSPDDWZJFT-FZMZJTMJSA-N 0 3 320.820 3.748 50 0 DHAAHN CCC(=O)N1CC[C@@H](N[C@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000095988003 563934178 /nfs/dbraw/zinc/93/41/78/563934178.db2.gz YVEDMSPDDWZJFT-BXUZGUMPSA-N 0 3 320.820 3.748 50 0 DHAAHN Cc1cnc([C@@H](C)N[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000096003611 563934725 /nfs/dbraw/zinc/93/47/25/563934725.db2.gz QHFJXWAANOXMLX-WBVHZDCISA-N 0 3 313.445 3.687 50 0 DHAAHN CN1CCC(OC(=O)[C@H](c2cccs2)[C@@H]2C=CCCC2)CC1 ZINC000096028038 563935286 /nfs/dbraw/zinc/93/52/86/563935286.db2.gz TUYPAMBSJBATIZ-PBHICJAKSA-N 0 3 319.470 3.825 50 0 DHAAHN Cc1cc(C)n(C[C@@H](C)N(C)Cc2cc3cc(F)ccc3[nH]2)n1 ZINC000670441442 563943970 /nfs/dbraw/zinc/94/39/70/563943970.db2.gz ILRSIOCRZCJRAH-CQSZACIVSA-N 0 3 314.408 3.641 50 0 DHAAHN C[C@@H](c1ccncc1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229314032 563945081 /nfs/dbraw/zinc/94/50/81/563945081.db2.gz QZKKPRVLOMBTET-WCQYABFASA-N 0 3 324.350 3.764 50 0 DHAAHN CC(C)[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000008002831 563946173 /nfs/dbraw/zinc/94/61/73/563946173.db2.gz BOCZOUPLVKMVDZ-GOSISDBHSA-N 0 3 318.367 3.890 50 0 DHAAHN Fc1ccc([C@@H]2CCN(Cc3cnc(-c4ccco4)nc3)C2)cc1 ZINC000670469501 563947032 /nfs/dbraw/zinc/94/70/32/563947032.db2.gz HYCBORNZYIGHBQ-MRXNPFEDSA-N 0 3 323.371 3.865 50 0 DHAAHN C[C@H](NCc1ccccc1N1CCOCC1)c1ccc(F)cc1 ZINC000066970179 563948324 /nfs/dbraw/zinc/94/83/24/563948324.db2.gz HUYLHTWBGCRVCO-HNNXBMFYSA-N 0 3 314.404 3.513 50 0 DHAAHN C(=C/c1ccccc1)\CN1CCN(CCc2cccs2)CC1 ZINC000067458883 563949400 /nfs/dbraw/zinc/94/94/00/563949400.db2.gz MWNYNQFMFUEBOU-XBXARRHUSA-N 0 3 312.482 3.622 50 0 DHAAHN CCN(CC)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717355 563950190 /nfs/dbraw/zinc/95/01/90/563950190.db2.gz KZPDPACLHZLDIM-UHFFFAOYSA-N 0 3 315.461 3.937 50 0 DHAAHN C[C@@H](NCc1cnc(-c2ccccc2)s1)[C@@H](C)n1cccn1 ZINC000069418066 563952766 /nfs/dbraw/zinc/95/27/66/563952766.db2.gz ZLZVEJZFASRVEB-ZIAGYGMSSA-N 0 3 312.442 3.746 50 0 DHAAHN CCCN1C[C@H](NCc2cccc3c4ccccc4oc32)CC1=O ZINC000952963865 1032671385 /nfs/dbraw/zinc/67/13/85/1032671385.db2.gz LIUBHXKTZVSBPN-OAHLLOKOSA-N 0 3 322.408 3.687 50 0 DHAAHN Cc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000011813940 1019262267 /nfs/dbraw/zinc/26/22/67/1019262267.db2.gz KRWJCRWFGSXLTK-IBGZPJMESA-N 0 3 317.404 3.544 50 0 DHAAHN Cc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000061705665 1019301104 /nfs/dbraw/zinc/30/11/04/1019301104.db2.gz YQZHTUZDSCIWGT-UHFFFAOYSA-N 0 3 305.425 3.799 50 0 DHAAHN Cc1cc(CN2CCC[C@H](CCc3ccccc3F)C2)n[nH]1 ZINC000011935293 1019584734 /nfs/dbraw/zinc/58/47/34/1019584734.db2.gz JRGIEGGZGXBBRI-OAHLLOKOSA-N 0 3 301.409 3.702 50 0 DHAAHN COc1ccc([C@H](C)CN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000528740754 1020347567 /nfs/dbraw/zinc/34/75/67/1020347567.db2.gz IIFKMLGXZYUIGP-CQSZACIVSA-N 0 3 323.440 3.524 50 0 DHAAHN CC[C@@H](c1ccc(Cl)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000048366861 1023743629 /nfs/dbraw/zinc/74/36/29/1023743629.db2.gz BKSMYLAKUSUPLG-KRWDZBQOSA-N 0 3 320.864 3.782 50 0 DHAAHN CSc1cccc(CN2CCC(Cc3noc(C)n3)CC2)c1 ZINC000215691499 1024526126 /nfs/dbraw/zinc/52/61/26/1024526126.db2.gz OWKSFQCNRCJUKJ-UHFFFAOYSA-N 0 3 317.458 3.555 50 0 DHAAHN COc1ccccc1C1CCN(CCc2csc(C)n2)CC1 ZINC000252500806 1026157844 /nfs/dbraw/zinc/15/78/44/1026157844.db2.gz TVQFHUZHTXUDTB-UHFFFAOYSA-N 0 3 316.470 3.882 50 0 DHAAHN C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccncc1Cl ZINC000421805257 1027052691 /nfs/dbraw/zinc/05/26/91/1027052691.db2.gz WJJHOLNCIQZDAD-BBRMVZONSA-N 0 3 319.836 3.816 50 0 DHAAHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cccc2nccn21 ZINC000809783488 1033714831 /nfs/dbraw/zinc/71/48/31/1033714831.db2.gz FAZYLCVLVFLPAY-SFHVURJKSA-N 0 3 309.413 3.926 50 0 DHAAHN C[S@](=O)c1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000090220867 185287139 /nfs/dbraw/zinc/28/71/39/185287139.db2.gz PUGUABGYFUOGDQ-FOIQADDNSA-N 0 3 305.468 3.653 50 0 DHAAHN C[C@@H](NCCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2 ZINC000095451050 185368963 /nfs/dbraw/zinc/36/89/63/185368963.db2.gz KUTJZVFQMVZUKS-SNVBAGLBSA-N 0 3 319.499 3.859 50 0 DHAAHN Cc1cc(C)cc(N2CCC(N3CC(c4ccncc4)C3)CC2)c1 ZINC000072127407 191043410 /nfs/dbraw/zinc/04/34/10/191043410.db2.gz GDUGGLULEMMKQK-UHFFFAOYSA-N 0 3 321.468 3.767 50 0 DHAAHN Cc1noc(C)c1CN1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000072144417 191051210 /nfs/dbraw/zinc/05/12/10/191051210.db2.gz QCJIDZPRVXEAGG-KRWDZBQOSA-N 0 3 314.429 3.984 50 0 DHAAHN C[C@H]1CCCCN1C1CN(Cc2c(F)ccc(F)c2Cl)C1 ZINC000072152290 191057125 /nfs/dbraw/zinc/05/71/25/191057125.db2.gz QTJHZDQUORXGKE-NSHDSACASA-N 0 3 314.807 3.677 50 0 DHAAHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC(C)C ZINC000098081497 563524126 /nfs/dbraw/zinc/52/41/26/563524126.db2.gz GVLYDUBVMRMQIR-UHFFFAOYSA-N 0 3 309.816 3.778 50 0 DHAAHN Cc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000004524503 181120099 /nfs/dbraw/zinc/12/00/99/181120099.db2.gz CMQKORYZVNPMIX-AZUAARDMSA-N 0 3 320.436 3.752 50 0 DHAAHN O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCCCC1 ZINC000004746167 181146559 /nfs/dbraw/zinc/14/65/59/181146559.db2.gz YTTDGPNIVAPBFP-MRXNPFEDSA-N 0 3 320.864 3.565 50 0 DHAAHN CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004862831 181165242 /nfs/dbraw/zinc/16/52/42/181165242.db2.gz IUQYLYYXKZJRJM-IGKNDFSCSA-N 0 3 307.478 3.676 50 0 DHAAHN C[C@@H](O)CNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004942874 181176971 /nfs/dbraw/zinc/17/69/71/181176971.db2.gz TUKUPVBGGWDOSX-SECBINFHSA-N 0 3 300.185 3.724 50 0 DHAAHN Cc1cc(C)n(CCCNCc2ccc(Cl)cc2Cl)n1 ZINC000006602070 181360036 /nfs/dbraw/zinc/36/00/36/181360036.db2.gz JRZORRBVSZRPBY-UHFFFAOYSA-N 0 3 312.244 3.987 50 0 DHAAHN CCn1ccnc1C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000092077426 193153886 /nfs/dbraw/zinc/15/38/86/193153886.db2.gz NNOFIUJMUVHBEX-UHFFFAOYSA-N 0 3 303.837 3.936 50 0 DHAAHN Cc1c2ccccc2oc1C(=O)NCc1ccccc1CN(C)C ZINC000007941572 181509271 /nfs/dbraw/zinc/50/92/71/181509271.db2.gz LJZITUPOPMUYRZ-UHFFFAOYSA-N 0 3 322.408 3.733 50 0 DHAAHN CC(C)CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019770293 182144783 /nfs/dbraw/zinc/14/47/83/182144783.db2.gz IRVYMBSRYYDPLD-UHFFFAOYSA-N 0 3 322.452 3.631 50 0 DHAAHN O[C@@H](CNCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000019872555 182159218 /nfs/dbraw/zinc/15/92/18/182159218.db2.gz MVUURDWVSFYZHT-SFHVURJKSA-N 0 3 311.356 3.909 50 0 DHAAHN CC[C@H](C)c1ccc(OCCCCN2CCN(C)CC2)cc1 ZINC000020118401 182189175 /nfs/dbraw/zinc/18/91/75/182189175.db2.gz LLFVWOBBQFDODP-KRWDZBQOSA-N 0 3 304.478 3.607 50 0 DHAAHN CC(C)(C)OC(=O)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000022050368 182306153 /nfs/dbraw/zinc/30/61/53/182306153.db2.gz IWDFFHIOVOXFOW-IRXDYDNUSA-N 0 3 316.445 3.518 50 0 DHAAHN CC(C)(C)OC(=O)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000022050373 182306299 /nfs/dbraw/zinc/30/62/99/182306299.db2.gz IWDFFHIOVOXFOW-SJORKVTESA-N 0 3 316.445 3.518 50 0 DHAAHN CCCCN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000022078717 182308096 /nfs/dbraw/zinc/30/80/96/182308096.db2.gz FVMXKUBHEQLGFD-QGZVFWFLSA-N 0 3 316.445 3.605 50 0 DHAAHN CCCCN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000022078834 182308630 /nfs/dbraw/zinc/30/86/30/182308630.db2.gz PWGKZFRCSNUVMF-WMLDXEAASA-N 0 3 316.445 3.603 50 0 DHAAHN C[C@@H](CNC(=O)Nc1ccccc1Cl)N1CCC[C@@H](C)C1 ZINC000040095584 183034162 /nfs/dbraw/zinc/03/41/62/183034162.db2.gz NUMRBBIMQWTPNK-OLZOCXBDSA-N 0 3 309.841 3.582 50 0 DHAAHN COc1ccc(CNCc2ccc(N(C)C)nc2)c2ccccc12 ZINC000042227325 183244304 /nfs/dbraw/zinc/24/43/04/183244304.db2.gz YMWJMCAXZDOJKB-UHFFFAOYSA-N 0 3 321.424 3.599 50 0 DHAAHN c1coc(-c2noc(CN3CCC[C@@H]3Cc3ccccc3)n2)c1 ZINC000044088509 183394692 /nfs/dbraw/zinc/39/46/92/183394692.db2.gz RQKNZQRLWLKFDZ-OAHLLOKOSA-N 0 3 309.369 3.537 50 0 DHAAHN CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccccc2CN(C)C)C1(C)C ZINC000058086868 184074168 /nfs/dbraw/zinc/07/41/68/184074168.db2.gz IZNOMXSITZRZIS-MSOLQXFVSA-N 0 3 314.473 3.603 50 0 DHAAHN COc1cccc(C(=O)Nc2cccc(CN3CCCC3)c2)c1 ZINC000058438564 184118514 /nfs/dbraw/zinc/11/85/14/184118514.db2.gz DVVYFMPZUMXWPX-UHFFFAOYSA-N 0 3 310.397 3.543 50 0 DHAAHN O=C(CCC1CCCC1)NCC1=CCCN([C@@H]2C=CCCC2)C1 ZINC000065488248 184352875 /nfs/dbraw/zinc/35/28/75/184352875.db2.gz XWZVPHCHLNPISD-LJQANCHMSA-N 0 3 316.489 3.814 50 0 DHAAHN COc1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000065553496 184365680 /nfs/dbraw/zinc/36/56/80/184365680.db2.gz OGDRVNUUYGJSEK-OAHLLOKOSA-N 0 3 324.424 3.673 50 0 DHAAHN Cc1coc2ccc(NC(=O)N[C@@H](C)C3=CCN(C)CC3)cc12 ZINC000274829717 130265448 /nfs/dbraw/zinc/26/54/48/130265448.db2.gz HDNXRHCQIQNQRL-ZDUSSCGKSA-N 0 3 313.401 3.513 50 0 DHAAHN Cc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000000238006 134432710 /nfs/dbraw/zinc/43/27/10/134432710.db2.gz 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/nfs/dbraw/zinc/90/46/43/563904643.db2.gz SCSLOYNFQURBCX-HOTGVXAUSA-N 0 3 319.518 3.853 50 0 DHAAHN CSCCCN1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000011838250 563360205 /nfs/dbraw/zinc/36/02/05/563360205.db2.gz WEFFDNPZKFHSGQ-AWEZNQCLSA-N 0 3 311.878 3.988 50 0 DHAAHN O=C(CCCN1CCc2ccccc2CC1)c1ccc(F)cc1 ZINC000000177749 563228017 /nfs/dbraw/zinc/22/80/17/563228017.db2.gz YMNLEQMLMXLPOU-UHFFFAOYSA-N 0 3 311.400 3.889 50 0 DHAAHN O=C(CCN1CCc2ccccc2C1)Nc1ccccc1Cl ZINC000000176533 563228187 /nfs/dbraw/zinc/22/81/87/563228187.db2.gz RLYCJSUWRBSMJZ-UHFFFAOYSA-N 0 3 314.816 3.727 50 0 DHAAHN CCOC(=O)C[C@H](N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000002553902 563309193 /nfs/dbraw/zinc/30/91/93/563309193.db2.gz BLSWWBILEDTHPM-HNNXBMFYSA-N 0 3 303.333 3.571 50 0 DHAAHN Cc1c2ccccc2sc1CN1CCN(c2ccccn2)CC1 ZINC000004325357 563326922 /nfs/dbraw/zinc/32/69/22/563326922.db2.gz UOJYWJPTXJAVFE-UHFFFAOYSA-N 0 3 323.465 3.927 50 0 DHAAHN O=C(Nc1cccc(F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000009062797 563351556 /nfs/dbraw/zinc/35/15/56/563351556.db2.gz XKBQGBQSBJORKK-UHFFFAOYSA-N 0 3 312.388 3.676 50 0 DHAAHN CCC[C@@H](NCc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 ZINC000010436139 563356541 /nfs/dbraw/zinc/35/65/41/563356541.db2.gz DBENSXQUUYTFGK-QGZVFWFLSA-N 0 3 323.440 3.508 50 0 DHAAHN CC(C)(CO)NCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010473855 563357747 /nfs/dbraw/zinc/35/77/47/563357747.db2.gz XZQCVCVDARWAMG-UHFFFAOYSA-N 0 3 319.832 3.780 50 0 DHAAHN Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000032665099 563375605 /nfs/dbraw/zinc/37/56/05/563375605.db2.gz MSNKOFCRZPUSKV-YESZJQIVSA-N 0 3 300.446 3.834 50 0 DHAAHN CN(C)[C@@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000032755354 563391345 /nfs/dbraw/zinc/39/13/45/563391345.db2.gz GSFSTPBMDAZBRL-PMACEKPBSA-N 0 3 322.452 3.526 50 0 DHAAHN COc1cccc(-c2ccc(CNC[C@@H](O)c3ccccc3)o2)c1 ZINC000015356867 563409614 /nfs/dbraw/zinc/40/96/14/563409614.db2.gz NGZWKWHCXZBCJL-LJQANCHMSA-N 0 3 323.392 3.778 50 0 DHAAHN Cc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000027582111 563428540 /nfs/dbraw/zinc/42/85/40/563428540.db2.gz UAADRYPVYYEZSK-MRXNPFEDSA-N 0 3 314.454 3.623 50 0 DHAAHN CCN(CC)[C@H](CNCc1cccc(F)c1F)c1ccco1 ZINC000032603482 563443102 /nfs/dbraw/zinc/44/31/02/563443102.db2.gz OVJMKMFRBXBGQI-OAHLLOKOSA-N 0 3 308.372 3.731 50 0 DHAAHN CCC[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000033028948 563467957 /nfs/dbraw/zinc/46/79/57/563467957.db2.gz IHXACGYPPGLOPZ-PMACEKPBSA-N 0 3 324.468 3.989 50 0 DHAAHN COCCN(Cc1cccs1)Cc1cccc2cnccc21 ZINC000055343883 563474785 /nfs/dbraw/zinc/47/47/85/563474785.db2.gz XMQXJKBLKDVERZ-UHFFFAOYSA-N 0 3 312.438 3.945 50 0 DHAAHN C[C@H](c1ccc(-c2nccn2Cc2ccccn2)cc1)N(C)C ZINC000067787570 563490653 /nfs/dbraw/zinc/49/06/53/563490653.db2.gz XAHDUQRDMXZYLJ-OAHLLOKOSA-N 0 3 306.413 3.616 50 0 DHAAHN CN(C)Cc1ccccc1Oc1ccc(-c2ccccc2)nn1 ZINC000067804915 563491372 /nfs/dbraw/zinc/49/13/72/563491372.db2.gz IVHPRBVEVGBBAC-UHFFFAOYSA-N 0 3 305.381 3.998 50 0 DHAAHN CC1=C(c2ccccc2)[C@@H]1c1nc(CC2CCN(C)CC2)no1 ZINC000067921053 563492928 /nfs/dbraw/zinc/49/29/28/563492928.db2.gz YFVVIARAPPHEFQ-GOSISDBHSA-N 0 3 309.413 3.525 50 0 DHAAHN Cc1ncc(CN2CCC[C@H](CCc3ccc(F)cc3)C2)n1C ZINC000071762455 563500609 /nfs/dbraw/zinc/50/06/09/563500609.db2.gz TYDGDCVGZGQASI-QGZVFWFLSA-N 0 3 315.436 3.712 50 0 DHAAHN c1cnn(-c2ccc(CN3CCC[C@@H]3c3ccncc3)cc2)c1 ZINC000097109559 563506155 /nfs/dbraw/zinc/50/61/55/563506155.db2.gz NMTYGWVWRDMNRL-LJQANCHMSA-N 0 3 304.397 3.604 50 0 DHAAHN CCN1CCCC[C@H]1C(=O)NCc1cccc(-c2ccccc2)c1 ZINC000097660347 563540934 /nfs/dbraw/zinc/54/09/34/563540934.db2.gz XFUGBCSXSXBGSI-FQEVSTJZSA-N 0 3 322.452 3.844 50 0 DHAAHN O[C@H](c1ccccc1)c1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 ZINC000000382804 563591189 /nfs/dbraw/zinc/59/11/89/563591189.db2.gz AHBSFBQHTBVUMG-GHTZIAJQSA-N 0 3 318.420 3.704 50 0 DHAAHN Fc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1 ZINC000005410618 563621511 /nfs/dbraw/zinc/62/15/11/563621511.db2.gz HWSUOVMJNAGIHB-UHFFFAOYSA-N 0 3 317.433 3.861 50 0 DHAAHN COc1cc(CN[C@@H](C)c2ccc(C)cc2)cc(OC)c1OC ZINC000045098312 563688305 /nfs/dbraw/zinc/68/83/05/563688305.db2.gz WSPYZEAACKMKIH-AWEZNQCLSA-N 0 3 315.413 3.872 50 0 DHAAHN CC(C)NC(=O)Nc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000048784730 563699658 /nfs/dbraw/zinc/69/96/58/563699658.db2.gz KTEJFJCRNWBVMD-UHFFFAOYSA-N 0 3 315.392 3.645 50 0 DHAAHN Cc1occc1C(=O)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000215722111 563706932 /nfs/dbraw/zinc/70/69/32/563706932.db2.gz XINUESZVENOOGX-GOSISDBHSA-N 0 3 312.413 3.545 50 0 DHAAHN C[C@@H](c1cccnc1)N(C)Cc1ccc(CN2CCCC2)s1 ZINC000216000752 563707624 /nfs/dbraw/zinc/70/76/24/563707624.db2.gz VDEFCMHAZGEFRH-HNNXBMFYSA-N 0 3 315.486 3.932 50 0 DHAAHN CCCCc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)s1 ZINC000216227981 563708547 /nfs/dbraw/zinc/70/85/47/563708547.db2.gz UHOBFPKCYRLLPX-OAHLLOKOSA-N 0 3 320.502 3.678 50 0 DHAAHN CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000008431196 563722436 /nfs/dbraw/zinc/72/24/36/563722436.db2.gz ZRNAHGCQVXSGJH-UHFFFAOYSA-N 0 3 322.452 3.557 50 0 DHAAHN Cc1nccn1CCCN(C)[C@@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244719032 563779015 /nfs/dbraw/zinc/77/90/15/563779015.db2.gz LVQDSNFPWOGMEH-HNNXBMFYSA-N 0 3 323.444 3.665 50 0 DHAAHN CCc1ccc(CN(C)C[C@H]2CCCN2Cc2ccccc2)nc1 ZINC000244641277 563779176 /nfs/dbraw/zinc/77/91/76/563779176.db2.gz GMROXNGTWGFHPI-OAQYLSRUSA-N 0 3 323.484 3.740 50 0 DHAAHN Cc1ccccc1[C@H]1CCCN1CC(=O)N(C)c1ccccc1 ZINC000052212601 563785595 /nfs/dbraw/zinc/78/55/95/563785595.db2.gz NVTGRPWDXDGODU-LJQANCHMSA-N 0 3 308.425 3.795 50 0 DHAAHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000012674127 563809238 /nfs/dbraw/zinc/80/92/38/563809238.db2.gz SUJAQCINCVJIIU-ACJLOTCBSA-N 0 3 312.388 3.894 50 0 DHAAHN CN(Cc1ccccc1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010336162 563813721 /nfs/dbraw/zinc/81/37/21/563813721.db2.gz DITFMAFHZVXYEH-UHFFFAOYSA-N 0 3 322.452 3.945 50 0 DHAAHN Cc1ccc2[nH]c([C@@H]3CCCN([C@@H](C)c4cnccn4)C3)nc2c1 ZINC000184701752 563819825 /nfs/dbraw/zinc/81/98/25/563819825.db2.gz KBESNSDOKGJHPN-LSDHHAIUSA-N 0 3 321.428 3.602 50 0 DHAAHN Cc1ccc2nc([C@@H]3CCCN([C@@H](C)c4cnccn4)C3)[nH]c2c1 ZINC000184701752 563819828 /nfs/dbraw/zinc/81/98/28/563819828.db2.gz KBESNSDOKGJHPN-LSDHHAIUSA-N 0 3 321.428 3.602 50 0 DHAAHN Cc1ccccc1[C@H](NCc1ccc([S@](C)=O)cc1)C1CC1 ZINC000084234905 563825854 /nfs/dbraw/zinc/82/58/54/563825854.db2.gz BYFYPWOTIFWCAB-DENIHFKCSA-N 0 3 313.466 3.973 50 0 DHAAHN C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000012776886 563829818 /nfs/dbraw/zinc/82/98/18/563829818.db2.gz CICJVJJVVVOJLE-BDJLRTHQSA-N 0 3 316.351 3.569 50 0 DHAAHN C[C@H]1C[C@H](C)CN(C(=O)CN(CC2CCCCC2)C2CC2)C1 ZINC000084686221 563829829 /nfs/dbraw/zinc/82/98/29/563829829.db2.gz BQYGAOQMYHGSMX-HOTGVXAUSA-N 0 3 306.494 3.536 50 0 DHAAHN C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000012776891 563829886 /nfs/dbraw/zinc/82/98/86/563829886.db2.gz CICJVJJVVVOJLE-MEDUHNTESA-N 0 3 316.351 3.569 50 0 DHAAHN C[C@@H](c1cccnc1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000084661100 563829914 /nfs/dbraw/zinc/82/99/14/563829914.db2.gz KKOOIDKFASFXOP-AAEUAGOBSA-N 0 3 324.350 3.764 50 0 DHAAHN CCCc1cc(C(=O)N[C@H](C)CN2CCC(C)CC2)cs1 ZINC000001460423 563836720 /nfs/dbraw/zinc/83/67/20/563836720.db2.gz ZPNBAPHAJROSLG-CQSZACIVSA-N 0 3 308.491 3.551 50 0 DHAAHN c1ccc(CN2CCC(Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000074314584 563848765 /nfs/dbraw/zinc/84/87/65/563848765.db2.gz ADBNAUQRSMRBQP-UHFFFAOYSA-N 0 3 324.424 3.534 50 0 DHAAHN CN(C)Cc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000012914544 563853673 /nfs/dbraw/zinc/85/36/73/563853673.db2.gz QQWACIVIYKMTMD-UHFFFAOYSA-N 0 3 320.339 3.602 50 0 DHAAHN c1ccc2c(c1)cccc2CN1CC(c2nc(C3CC3)no2)C1 ZINC000075156390 563861165 /nfs/dbraw/zinc/86/11/65/563861165.db2.gz WVRVUNBJGBUYNM-UHFFFAOYSA-N 0 3 305.381 3.700 50 0 DHAAHN CN1CCN(Cc2cccc3ncccc23)C[C@H]1c1ccccc1 ZINC000248156169 563883438 /nfs/dbraw/zinc/88/34/38/563883438.db2.gz VQXSZEWJNNWWDZ-NRFANRHFSA-N 0 3 317.436 3.724 50 0 DHAAHN Brc1cccc(OCCNCc2ccccc2)c1 ZINC000002823339 563913046 /nfs/dbraw/zinc/91/30/46/563913046.db2.gz PXSGIEQEDVHWHJ-UHFFFAOYSA-N 0 3 306.203 3.618 50 0 DHAAHN COc1cccc(NC(=O)CN[C@H](c2ccccc2)C(C)C)c1 ZINC000008002554 563897526 /nfs/dbraw/zinc/89/75/26/563897526.db2.gz XYPNRQTYPWKMEW-IBGZPJMESA-N 0 3 312.413 3.621 50 0 DHAAHN c1coc(-c2nnc(CN[C@H]3CCC[C@@H]3Cc3ccccc3)o2)c1 ZINC000170612368 563908137 /nfs/dbraw/zinc/90/81/37/563908137.db2.gz IEEZYUITRLTGHI-CVEARBPZSA-N 0 3 323.396 3.831 50 0 DHAAHN Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1F ZINC000013320315 563909559 /nfs/dbraw/zinc/90/95/59/563909559.db2.gz ADCYFAUASDLIED-UHFFFAOYSA-N 0 3 319.424 3.616 50 0 DHAAHN COc1ccc(-c2nc(C)c([C@H](C)N[C@@H]3CCOC3)s2)cc1 ZINC000089724326 563911035 /nfs/dbraw/zinc/91/10/35/563911035.db2.gz WCDVKXCCBYYWGA-SMDDNHRTSA-N 0 3 318.442 3.567 50 0 DHAAHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1cccc(Br)c1 ZINC000252517612 563916840 /nfs/dbraw/zinc/91/68/40/563916840.db2.gz MRKCJPAPJDNYPQ-CJNGLKHVSA-N 0 3 323.278 3.508 50 0 DHAAHN Cc1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000007696791 563917847 /nfs/dbraw/zinc/91/78/47/563917847.db2.gz VOAJNQAXMASOAV-UHFFFAOYSA-N 0 3 322.452 3.911 50 0 DHAAHN CCN1CCC[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1 ZINC000007737654 563918609 /nfs/dbraw/zinc/91/86/09/563918609.db2.gz SHNVVTVMFKEPPL-MRXNPFEDSA-N 0 3 324.424 3.693 50 0 DHAAHN COCCNCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248048334 563920185 /nfs/dbraw/zinc/92/01/85/563920185.db2.gz AKVMKAWWWLXEHF-UHFFFAOYSA-N 0 3 308.425 3.734 50 0 DHAAHN C[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccc2ccccc2n1 ZINC000095967213 563932825 /nfs/dbraw/zinc/93/28/25/563932825.db2.gz FRBYESYGQUPTHL-RHSMWYFYSA-N 0 3 304.393 3.889 50 0 DHAAHN OCc1ccccc1CNCc1ccc(Cl)c2cccnc12 ZINC000096473022 563937116 /nfs/dbraw/zinc/93/71/16/563937116.db2.gz SCTYDBRTNUIRNQ-UHFFFAOYSA-N 0 3 312.800 3.670 50 0 DHAAHN C[C@H](NC[C@@]1(CCO)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000096493447 563937368 /nfs/dbraw/zinc/93/73/68/563937368.db2.gz GVEBJMUZFXQCTI-YVEFUNNKSA-N 0 3 323.820 3.526 50 0 DHAAHN C[C@H](NC[C@]1(CCO)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000096493445 563937429 /nfs/dbraw/zinc/93/74/29/563937429.db2.gz GVEBJMUZFXQCTI-SJCJKPOMSA-N 0 3 323.820 3.526 50 0 DHAAHN CC[C@@H](NCc1ccnc(N)c1)c1ccc(OC(F)F)cc1 ZINC000225615931 563938261 /nfs/dbraw/zinc/93/82/61/563938261.db2.gz ACDCCVFGNLCCDE-CQSZACIVSA-N 0 3 307.344 3.506 50 0 DHAAHN CC1CCN(Cc2ccc(-c3ncnn3C(C)(C)C)o2)CC1 ZINC000670440133 563943767 /nfs/dbraw/zinc/94/37/67/563943767.db2.gz DJFUIQSMFPTECL-UHFFFAOYSA-N 0 3 302.422 3.525 50 0 DHAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCCOC(C)C ZINC000008395472 563948369 /nfs/dbraw/zinc/94/83/69/563948369.db2.gz FUIVEYIAXYJIHX-UHFFFAOYSA-N 0 3 319.424 3.533 50 0 DHAAHN CCN(CC)Cc1c(C)[nH]c2ccc(Br)cc2c1=O ZINC000008714075 563949930 /nfs/dbraw/zinc/94/99/30/563949930.db2.gz DJCGYKBGUPUOPN-UHFFFAOYSA-N 0 3 323.234 3.853 50 0 DHAAHN O=C(CCN1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1Cl ZINC000069489808 563953148 /nfs/dbraw/zinc/95/31/48/563953148.db2.gz ZCDOTDFLIKKUMY-INIZCTEOSA-N 0 3 317.820 3.834 50 0 DHAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2cc(F)cc3cccnc32)c1 ZINC000069570751 563953624 /nfs/dbraw/zinc/95/36/24/563953624.db2.gz QTBNBDHRUMGYAG-ZIAGYGMSSA-N 0 3 312.392 3.618 50 0 DHAAHN CCC[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000069703814 563954342 /nfs/dbraw/zinc/95/43/42/563954342.db2.gz IUXLYECLRJBZAW-GJZGRUSLSA-N 0 3 308.491 3.513 50 0 DHAAHN COc1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000071831368 563958988 /nfs/dbraw/zinc/95/89/88/563958988.db2.gz WEFCMMMGVBFCMX-OAHLLOKOSA-N 0 3 324.424 3.673 50 0 DHAAHN Cc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000011813941 1019263102 /nfs/dbraw/zinc/26/31/02/1019263102.db2.gz KRWJCRWFGSXLTK-LJQANCHMSA-N 0 3 317.404 3.544 50 0 DHAAHN CN1CCCCC[C@H]1C(=O)NCc1ccc(-c2ccccc2)cc1 ZINC000823778620 1020446330 /nfs/dbraw/zinc/44/63/30/1020446330.db2.gz FWDYUMFQJYLCCK-FQEVSTJZSA-N 0 3 322.452 3.844 50 0 DHAAHN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000105548903 1022953319 /nfs/dbraw/zinc/95/33/19/1022953319.db2.gz WBLURPAGRKIDKQ-GVDBMIGSSA-N 0 3 300.446 3.834 50 0 DHAAHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc2cccnc21 ZINC000048354033 1023735795 /nfs/dbraw/zinc/73/57/95/1023735795.db2.gz YSEDTRIIHSNJFJ-NJAFHUGGSA-N 0 3 324.424 3.541 50 0 DHAAHN COCc1cc(CN[C@H](C)c2ccc3c(c2)CCO3)ccc1F ZINC000178483583 1024039717 /nfs/dbraw/zinc/03/97/17/1024039717.db2.gz HYADFKBMYJSGPH-CYBMUJFWSA-N 0 3 315.388 3.758 50 0 DHAAHN O[C@@]12CCCC[C@H]1[C@H](c1ccc(Cl)cc1Cl)NCC2 ZINC000216013621 1024527014 /nfs/dbraw/zinc/52/70/14/1024527014.db2.gz INWMRQARFUAODH-AEGPPILISA-N 0 3 300.229 3.949 50 0 DHAAHN Cc1cc([C@H]2CCCN2Cc2ccc(-n3ccnc3)cc2)on1 ZINC000216061662 1024527982 /nfs/dbraw/zinc/52/79/82/1024527982.db2.gz YFVRTEQCNISXPA-QGZVFWFLSA-N 0 3 308.385 3.506 50 0 DHAAHN Cc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1 ZINC000006721907 1025125773 /nfs/dbraw/zinc/12/57/73/1025125773.db2.gz CMQKORYZVNPMIX-UYAOXDASSA-N 0 3 320.436 3.752 50 0 DHAAHN CC[C@H](c1cccc(OC)c1)N(C)Cc1cccc2nccn21 ZINC000809783487 1033716838 /nfs/dbraw/zinc/71/68/38/1033716838.db2.gz FAZYLCVLVFLPAY-GOSISDBHSA-N 0 3 309.413 3.926 50 0 DHAAHN C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(Cc2ccncc2)C1 ZINC000095500912 185374604 /nfs/dbraw/zinc/37/46/04/185374604.db2.gz DVVPABPRCRYFBO-HXUWFJFHSA-N 0 3 324.424 3.655 50 0 DHAAHN CCN(CC)[C@@H](CNC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000096943746 185393527 /nfs/dbraw/zinc/39/35/27/185393527.db2.gz FBEBHNUTRSVWEG-IBIZNAIESA-N 0 3 322.452 3.899 50 0 DHAAHN FC(F)(F)COCCNCc1cc(Cl)cc2cccnc21 ZINC000095418505 185359547 /nfs/dbraw/zinc/35/95/47/185359547.db2.gz SGXYAVPMCWCVEQ-UHFFFAOYSA-N 0 3 318.726 3.557 50 0 DHAAHN C[C@@H](NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 ZINC000095419735 185360245 /nfs/dbraw/zinc/36/02/45/185360245.db2.gz NJFKIUJRPMXIFZ-MFKMUULPSA-N 0 3 313.369 3.979 50 0 DHAAHN CC[C@H](C)[C@H](C)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000095459378 185370672 /nfs/dbraw/zinc/37/06/72/185370672.db2.gz JQTVAIJKYXKXIO-UWVGGRQHSA-N 0 3 303.233 3.956 50 0 DHAAHN c1ccc(COC[C@H](NC2CCOCC2)c2ccccc2)cc1 ZINC000097017055 185397658 /nfs/dbraw/zinc/39/76/58/185397658.db2.gz WNBVFLVGCFCHKF-FQEVSTJZSA-N 0 3 311.425 3.713 50 0 DHAAHN C[C@@H](CN1CCCCC1)OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000080346544 192150376 /nfs/dbraw/zinc/15/03/76/192150376.db2.gz XSTILHRJJFUTQB-ISOUWHGUSA-N 0 3 305.462 3.620 50 0 DHAAHN CN(C)[C@H](CNc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000083847803 192386719 /nfs/dbraw/zinc/38/67/19/192386719.db2.gz FYXQIPPCNDQODQ-MRVPVSSYSA-N 0 3 321.393 3.938 50 0 DHAAHN Cc1ccc(F)cc1-c1cc(NCCN(C)C)nc2[nH]ccc21 ZINC000072129248 191042465 /nfs/dbraw/zinc/04/24/65/191042465.db2.gz VKFPNJLAYCSUAX-UHFFFAOYSA-N 0 3 312.392 3.651 50 0 DHAAHN COc1ccc2c(c1)n[nH]c2CN1CCCC[C@@H]1c1ccccn1 ZINC000072171458 191069004 /nfs/dbraw/zinc/06/90/04/191069004.db2.gz YOQUHLOMVAPRRR-LJQANCHMSA-N 0 3 322.412 3.694 50 0 DHAAHN Cc1nccc([C@@H](C)NCCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000225632743 186285096 /nfs/dbraw/zinc/28/50/96/186285096.db2.gz WEAURNHMRPWMQU-LLVKDONJSA-N 0 3 314.820 3.813 50 0 DHAAHN Cc1cc(CN(C)Cc2ccc(CCC(C)(C)O)cc2)ccn1 ZINC000072431199 191163224 /nfs/dbraw/zinc/16/32/24/191163224.db2.gz KMJDMWLHMSHCLH-UHFFFAOYSA-N 0 3 312.457 3.726 50 0 DHAAHN O[C@@H](Cc1ccccc1)C1CCN(Cc2cccs2)CC1 ZINC000072473740 191177044 /nfs/dbraw/zinc/17/70/44/191177044.db2.gz ZMRBHALPTIWGCJ-SFHVURJKSA-N 0 3 301.455 3.564 50 0 DHAAHN C[C@H](O)CNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000072713955 191221992 /nfs/dbraw/zinc/22/19/92/191221992.db2.gz PPEWEBVNBFZBNP-VIFPVBQESA-N 0 3 300.185 3.724 50 0 DHAAHN CN(C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000003289084 181000797 /nfs/dbraw/zinc/00/07/97/181000797.db2.gz JEYBRFSQIVFTTM-OAHLLOKOSA-N 0 3 320.795 3.512 50 0 DHAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccccc1 ZINC000004007041 181061632 /nfs/dbraw/zinc/06/16/32/181061632.db2.gz QMVOVIVYPUFDEL-HKUYNNGSSA-N 0 3 321.424 3.835 50 0 biogenic DHAAHN O=C(c1cccc(Cl)c1)N1CCN(C2CCCCCC2)CC1 ZINC000004133842 181077011 /nfs/dbraw/zinc/07/70/11/181077011.db2.gz JDRNEJVRCPPRPZ-UHFFFAOYSA-N 0 3 320.864 3.821 50 0 DHAAHN C[C@H]1CCC[C@@H](N2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004133700 181077048 /nfs/dbraw/zinc/07/70/48/181077048.db2.gz RVWFFGFGNAMNDI-WMLDXEAASA-N 0 3 320.864 3.677 50 0 DHAAHN C[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000005559758 181257455 /nfs/dbraw/zinc/25/74/55/181257455.db2.gz OMMABXQBKXLFFT-OXQOHEQNSA-N 0 3 321.420 3.930 50 0 DHAAHN C[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000237523385 202270990 /nfs/dbraw/zinc/27/09/90/202270990.db2.gz UBFYZCFPJPHSLR-JTQLQIEISA-N 0 3 322.321 3.642 50 0 DHAAHN COc1ccccc1-c1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000191157439 200636479 /nfs/dbraw/zinc/63/64/79/200636479.db2.gz CMZACAIKCXPTHJ-AVGNSLFASA-N 0 3 301.390 3.679 50 0 DHAAHN CC(C)c1csc([C@@H]2CCCN(Cc3ccnc(N)c3)C2)n1 ZINC000193359181 201038057 /nfs/dbraw/zinc/03/80/57/201038057.db2.gz AAKFCLTVSNKYTB-CQSZACIVSA-N 0 3 316.474 3.623 50 0 DHAAHN CNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000006703993 181375468 /nfs/dbraw/zinc/37/54/68/181375468.db2.gz XJJQWXWZBCBPLO-UHFFFAOYSA-N 0 3 309.768 3.786 50 0 DHAAHN N=C(NO)c1cccc(-c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000261494871 203074107 /nfs/dbraw/zinc/07/41/07/203074107.db2.gz OHLNLWQGSRJODS-UHFFFAOYSA-N 0 3 315.682 3.725 50 0 DHAAHN C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000015583743 182008097 /nfs/dbraw/zinc/00/80/97/182008097.db2.gz TWSKQCXDZOILGU-DIFFPNOSSA-N 0 3 316.351 3.569 50 0 DHAAHN CC[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016445029 182044889 /nfs/dbraw/zinc/04/48/89/182044889.db2.gz URMKPZLFZGJRDW-AWEZNQCLSA-N 0 3 301.386 3.572 50 0 DHAAHN CC[C@H]1CCCC[N@H+]1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016445029 182044890 /nfs/dbraw/zinc/04/48/90/182044890.db2.gz URMKPZLFZGJRDW-AWEZNQCLSA-N 0 3 301.386 3.572 50 0 DHAAHN O=C(CN[C@H]1CCCc2ccccc21)NCCC1=CCCCC1 ZINC000016695449 182058344 /nfs/dbraw/zinc/05/83/44/182058344.db2.gz YXEMIKLXKXCMNF-IBGZPJMESA-N 0 3 312.457 3.660 50 0 DHAAHN COc1ccc(CCNCc2ccccc2Cl)cc1OC ZINC000019232783 182110356 /nfs/dbraw/zinc/11/03/56/182110356.db2.gz TYGQOEVJLCXMNA-UHFFFAOYSA-N 0 3 305.805 3.690 50 0 DHAAHN Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000019902625 182162402 /nfs/dbraw/zinc/16/24/02/182162402.db2.gz VBJJVQACEPQLIQ-OAQYLSRUSA-N 0 3 319.452 3.813 50 0 DHAAHN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)NCC2 ZINC000019907240 182163258 /nfs/dbraw/zinc/16/32/58/182163258.db2.gz ADFOYEWFVUCSHF-QGZVFWFLSA-N 0 3 303.789 3.592 50 0 DHAAHN Cc1ccc(C(C)(C)C)c(OCCCCN2CCN(C)CC2)c1 ZINC000020117923 182188231 /nfs/dbraw/zinc/18/82/31/182188231.db2.gz FQPWUVWTPIRUGS-UHFFFAOYSA-N 0 3 318.505 3.699 50 0 DHAAHN O=C(C[C@@H]1NCCc2ccccc21)Nc1ccc(Cl)cc1 ZINC000020389316 182213766 /nfs/dbraw/zinc/21/37/66/182213766.db2.gz LNEIJTZTANOBNB-INIZCTEOSA-N 0 3 300.789 3.556 50 0 DHAAHN Clc1cccc(CN2CCN(C[C@H]3CC=CCC3)CC2)c1 ZINC000020437269 182217886 /nfs/dbraw/zinc/21/78/86/182217886.db2.gz OIDXZLIXHSLXJS-INIZCTEOSA-N 0 3 304.865 3.814 50 0 DHAAHN Cc1noc(C)c1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000020572941 182234179 /nfs/dbraw/zinc/23/41/79/182234179.db2.gz FSABPIKVOOGJBM-UHFFFAOYSA-N 0 3 302.393 3.885 50 0 DHAAHN CCOc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)NCC2 ZINC000020507127 182225590 /nfs/dbraw/zinc/22/55/90/182225590.db2.gz OIHYWHDYXMCANR-SFHVURJKSA-N 0 3 317.816 3.982 50 0 DHAAHN CC(C)CC[C@@]1(CCN2CCN(C)CC2)CCO[C@H](C(C)C)C1 ZINC000020648157 182241043 /nfs/dbraw/zinc/24/10/43/182241043.db2.gz IPORIWFJIBWFBV-VQTJNVASSA-N 0 3 324.553 3.882 50 0 DHAAHN CN1CCN(CCCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020652665 182242346 /nfs/dbraw/zinc/24/23/46/182242346.db2.gz IXFQNELZUSJJMC-UHFFFAOYSA-N 0 3 324.468 3.760 50 0 DHAAHN Cc1[nH]c2ccc(C)cc2c1[C@@H](O)CN1CCc2ccccc2C1 ZINC000021793242 182289814 /nfs/dbraw/zinc/28/98/14/182289814.db2.gz KBBQATZWAGTDAZ-FQEVSTJZSA-N 0 3 320.436 3.876 50 0 DHAAHN Cc1ccc(OCCCCCCN2CCN(C)CC2)c(Cl)c1 ZINC000022033802 182305350 /nfs/dbraw/zinc/30/53/50/182305350.db2.gz SWOWFBVZVJSVEV-UHFFFAOYSA-N 0 3 324.896 3.835 50 0 DHAAHN CN(Cc1ccc2c(c1)OCO2)Cc1cccc2cccnc21 ZINC000023074942 182346034 /nfs/dbraw/zinc/34/60/34/182346034.db2.gz LDGGKCOGPVPPRU-UHFFFAOYSA-N 0 3 306.365 3.596 50 0 DHAAHN Oc1cccc([C@@H](O)CNCc2cccc(Cl)c2Cl)c1 ZINC000057354890 184035434 /nfs/dbraw/zinc/03/54/34/184035434.db2.gz LUZUNIZJTHTBOW-AWEZNQCLSA-N 0 3 312.196 3.522 50 0 DHAAHN CC(C)CN1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000058434760 184118279 /nfs/dbraw/zinc/11/82/79/184118279.db2.gz ZGMUNSPTLZOPPH-UHFFFAOYSA-N 0 3 309.841 3.536 50 0 DHAAHN C[C@@H](CCN1CCCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000065394447 184334440 /nfs/dbraw/zinc/33/44/40/184334440.db2.gz PJNJIJJURXAKDB-KRWDZBQOSA-N 0 3 314.473 3.515 50 0 DHAAHN Cc1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000065363287 184328805 /nfs/dbraw/zinc/32/88/05/184328805.db2.gz NSCAUGZGTKHCNL-UHFFFAOYSA-N 0 3 324.424 3.720 50 0 DHAAHN CCCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000006721905 257137339 /nfs/dbraw/zinc/13/73/39/257137339.db2.gz BGRBXELRMMVNBC-SJLPKXTDSA-N 0 3 300.446 3.710 50 0 DHAAHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccc(C(F)(F)F)nc1Cl ZINC000521394535 257240937 /nfs/dbraw/zinc/24/09/37/257240937.db2.gz PJRCCRQYDWQHAA-LPEHRKFASA-N 0 3 322.758 3.829 50 0 DHAAHN Cc1ccc(CN(C(=O)CN(C)[C@@H]2CCCC[C@H]2C)C2CC2)o1 ZINC000253630055 257257794 /nfs/dbraw/zinc/25/77/94/257257794.db2.gz MOMNAZHJXDUYNN-RDTXWAMCSA-N 0 3 318.461 3.590 50 0 DHAAHN C[C@H](NCCCn1cccn1)c1nc(-c2ccccc2)cs1 ZINC000095419841 332169781 /nfs/dbraw/zinc/16/97/81/332169781.db2.gz STVQSLHDTDDXLL-AWEZNQCLSA-N 0 3 312.442 3.748 50 0 DHAAHN C[C@@H](NCCCn1cccn1)c1nc(-c2ccccc2)cs1 ZINC000095419842 332169824 /nfs/dbraw/zinc/16/98/24/332169824.db2.gz STVQSLHDTDDXLL-CQSZACIVSA-N 0 3 312.442 3.748 50 0 DHAAHN COC(=O)c1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000015070752 332394741 /nfs/dbraw/zinc/39/47/41/332394741.db2.gz DHCBGSWHFHBXGZ-IBGZPJMESA-N 0 3 324.424 3.550 50 0 DHAAHN COc1ccccc1N1CCN([C@H](C)CCc2ccccc2)CC1 ZINC000004981222 537069994 /nfs/dbraw/zinc/06/99/94/537069994.db2.gz LDLFDUWJSYEOBY-GOSISDBHSA-N 0 3 324.468 3.839 50 0 DHAAHN C[C@@H]1C[C@H](C)CN(C(=O)CN(CC2CCCCC2)C2CC2)C1 ZINC000084686218 563829933 /nfs/dbraw/zinc/82/99/33/563829933.db2.gz BQYGAOQMYHGSMX-IYBDPMFKSA-N 0 3 306.494 3.536 50 0 DHAAHN Fc1ccccc1CCNCc1cc2c(c(Cl)c1)OCO2 ZINC000037301173 563908657 /nfs/dbraw/zinc/90/86/57/563908657.db2.gz HBBKYLJTTKIGOZ-UHFFFAOYSA-N 0 3 307.752 3.540 50 0 DHAAHN Clc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000000216834 563231651 /nfs/dbraw/zinc/23/16/51/563231651.db2.gz NKMGWZZAFWDLFG-UHFFFAOYSA-N 0 3 300.833 3.705 50 0 DHAAHN CCOC(=O)C1C=C(c2ccccc2)C=CN=C1N(CC)CC ZINC000000343275 563242854 /nfs/dbraw/zinc/24/28/54/563242854.db2.gz VHBIZFWKROPEBX-KRWDZBQOSA-N 0 3 312.413 3.517 50 0 DHAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccs1 ZINC000000528017 563264932 /nfs/dbraw/zinc/26/49/32/563264932.db2.gz BEOQKSZRKHUMCP-UHFFFAOYSA-N 0 3 300.427 3.986 50 0 DHAAHN O=C(c1ccc(CN2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000002514589 563305138 /nfs/dbraw/zinc/30/51/38/563305138.db2.gz AMAQRLIZIIEDHT-UHFFFAOYSA-N 0 3 301.336 3.792 50 0 DHAAHN CC(C)(CO)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000010434538 563357005 /nfs/dbraw/zinc/35/70/05/563357005.db2.gz UKBHURMOKDKGIX-UHFFFAOYSA-N 0 3 313.319 3.826 50 0 DHAAHN CC(C)Cc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000012151072 563363180 /nfs/dbraw/zinc/36/31/80/563363180.db2.gz FOOHPDASMCFZGG-MRXNPFEDSA-N 0 3 313.445 3.693 50 0 DHAAHN CNCc1nc2ccccc2n1CCCCOc1ccc(C)cc1 ZINC000012461742 563369957 /nfs/dbraw/zinc/36/99/57/563369957.db2.gz FMXDDVOVQJJMDE-UHFFFAOYSA-N 0 3 323.440 3.923 50 0 DHAAHN CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)N(C)C)C1(C)C ZINC000032850700 563403030 /nfs/dbraw/zinc/40/30/30/563403030.db2.gz SWGZPHVUDRDBMM-KZNAEPCWSA-N 0 3 314.473 3.644 50 0 DHAAHN Cc1ccsc1C(=O)[C@H]1CCCN(C2CCSCC2)C1 ZINC000015073094 563406906 /nfs/dbraw/zinc/40/69/06/563406906.db2.gz OEUUCHHEQKQUJC-ZDUSSCGKSA-N 0 3 309.500 3.847 50 0 DHAAHN CCCCC(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027662485 563429416 /nfs/dbraw/zinc/42/94/16/563429416.db2.gz WITHJCXUNDLCMN-OAHLLOKOSA-N 0 3 308.491 3.972 50 0 DHAAHN O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1ccco1 ZINC000027989318 563430078 /nfs/dbraw/zinc/43/00/78/563430078.db2.gz QEZLFSBTYMWHTC-CQSZACIVSA-N 0 3 318.442 3.688 50 0 DHAAHN CCC(=O)Nc1ccc([C@H](C)NCc2cccc(OC)c2)cc1 ZINC000030640283 563437278 /nfs/dbraw/zinc/43/72/78/563437278.db2.gz MVZIDGWFXCROOY-AWEZNQCLSA-N 0 3 312.413 3.895 50 0 DHAAHN Clc1cccc(-c2ccc(CNCCCn3ccnc3)o2)c1 ZINC000035268963 563452625 /nfs/dbraw/zinc/45/26/25/563452625.db2.gz IAFQQWQUGMCVKK-UHFFFAOYSA-N 0 3 315.804 3.976 50 0 DHAAHN C=Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CC4)C3)C2)c1 ZINC000067855829 563492115 /nfs/dbraw/zinc/49/21/15/563492115.db2.gz FCQVDBRIEXVOJS-OAQYLSRUSA-N 0 3 324.468 3.554 50 0 DHAAHN Nc1ncccc1CN1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071551695 563499692 /nfs/dbraw/zinc/49/96/92/563499692.db2.gz NERBWHXUYYEAJS-INIZCTEOSA-N 0 3 313.420 3.648 50 0 DHAAHN Cc1cccc(CNC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000072286243 563524882 /nfs/dbraw/zinc/52/48/82/563524882.db2.gz HNPATLBIHINLLR-MRXNPFEDSA-N 0 3 306.450 3.634 50 0 DHAAHN Cc1cc2cc(C(=O)N(C)CCN3CCCCCC3)ccc2o1 ZINC000097594760 563540109 /nfs/dbraw/zinc/54/01/09/563540109.db2.gz WDCOQYWCDBETNT-UHFFFAOYSA-N 0 3 314.429 3.689 50 0 DHAAHN O=C(c1ccco1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000069349468 563615565 /nfs/dbraw/zinc/61/55/65/563615565.db2.gz LOJONMJJVHHNAE-ROUUACIJSA-N 0 3 324.424 3.549 50 0 DHAAHN CN1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000005525419 563622996 /nfs/dbraw/zinc/62/29/96/563622996.db2.gz QYGOCZHZGFCPTK-UHFFFAOYSA-N 0 3 303.189 3.636 50 0 DHAAHN CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000153880251 563626100 /nfs/dbraw/zinc/62/61/00/563626100.db2.gz FTDVAORRMIOBED-MRXNPFEDSA-N 0 3 314.454 3.516 50 0 DHAAHN CC[C@@H](C)N(Cc1ccc(C)o1)C[C@@H](O)COc1ccccc1 ZINC000169679264 563647354 /nfs/dbraw/zinc/64/73/54/563647354.db2.gz CQJRVHSQODLXPZ-NVXWUHKLSA-N 0 3 317.429 3.628 50 0 DHAAHN CN(C)Cc1ccccc1CNC(=O)N(C)C1CCCCCC1 ZINC000045104050 563688301 /nfs/dbraw/zinc/68/83/01/563688301.db2.gz RRJODCMFKQTBGB-UHFFFAOYSA-N 0 3 317.477 3.612 50 0 DHAAHN O[C@@]12CCCC[C@H]1CN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000108357080 563688312 /nfs/dbraw/zinc/68/83/12/563688312.db2.gz QMLUMZVJISHTKV-JKSUJKDBSA-N 0 3 313.363 3.832 50 0 DHAAHN CC[S@@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000108486176 563688840 /nfs/dbraw/zinc/68/88/40/563688840.db2.gz WPTUSCVGQBFGFQ-VZIIKCOPSA-N 0 3 315.429 3.695 50 0 DHAAHN CN(C(=O)CN1CCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC000048324387 563695884 /nfs/dbraw/zinc/69/58/84/563695884.db2.gz RZMABAZELVXQMN-HXUWFJFHSA-N 0 3 322.452 3.747 50 0 DHAAHN Cc1[nH]nc2ncc(CN[C@H]3CCSc4ccccc43)cc12 ZINC000048341077 563697182 /nfs/dbraw/zinc/69/71/82/563697182.db2.gz TUBYJJIGEXHMOS-HNNXBMFYSA-N 0 3 310.426 3.593 50 0 DHAAHN Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)c2ccccc2C)cc1 ZINC000048374097 563697940 /nfs/dbraw/zinc/69/79/40/563697940.db2.gz HKEXSRJQMGAAOF-SJORKVTESA-N 0 3 310.441 3.659 50 0 DHAAHN CCOc1ccc(-c2ccc(CN3CCC[C@@H](O)CC3)o2)cc1 ZINC000215106617 563703894 /nfs/dbraw/zinc/70/38/94/563703894.db2.gz OZAXQNKZWSUJRJ-MRXNPFEDSA-N 0 3 315.413 3.692 50 0 DHAAHN C[C@H](c1cccnc1)N(C)Cc1ccc(CN2CCCC2)s1 ZINC000216000793 563707686 /nfs/dbraw/zinc/70/76/86/563707686.db2.gz VDEFCMHAZGEFRH-OAHLLOKOSA-N 0 3 315.486 3.932 50 0 DHAAHN CCCCc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)s1 ZINC000216227933 563708414 /nfs/dbraw/zinc/70/84/14/563708414.db2.gz UHOBFPKCYRLLPX-HNNXBMFYSA-N 0 3 320.502 3.678 50 0 DHAAHN CN(C)c1ccc(CN2CCCC[C@H]2CCc2ccccn2)cn1 ZINC000216335743 563708956 /nfs/dbraw/zinc/70/89/56/563708956.db2.gz MZVGYCPKNXLDOG-IBGZPJMESA-N 0 3 324.472 3.530 50 0 DHAAHN CC(=O)c1cc(CN2CCC[C@@H](c3ccccc3C)C2)n(C)c1 ZINC000216382931 563709179 /nfs/dbraw/zinc/70/91/79/563709179.db2.gz RWKYFESFBMWHJP-QGZVFWFLSA-N 0 3 310.441 3.916 50 0 DHAAHN O=C(c1cc(Cl)ccc1F)N1CCCC[C@H]1CN1CCCC1 ZINC000223697690 563735143 /nfs/dbraw/zinc/73/51/43/563735143.db2.gz QVYJYBJLIMYSNU-AWEZNQCLSA-N 0 3 324.827 3.570 50 0 DHAAHN CSc1ccc(CNC[C@H](c2ccco2)N2CCCC2)s1 ZINC000225551869 563758822 /nfs/dbraw/zinc/75/88/22/563758822.db2.gz YDVPEUMSFWCVQG-CQSZACIVSA-N 0 3 322.499 3.990 50 0 DHAAHN CC(=O)Nc1ccc(CN[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000030662023 563763359 /nfs/dbraw/zinc/76/33/59/563763359.db2.gz INLZZKNSPOOZFG-GJZGRUSLSA-N 0 3 314.351 3.856 50 0 DHAAHN CC[C@@H](C)NCc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248245776 563782995 /nfs/dbraw/zinc/78/29/95/563782995.db2.gz QJICGVVCXBPWBW-MRXNPFEDSA-N 0 3 320.440 3.882 50 0 DHAAHN CC(=O)N1CCC(N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000034996001 563795449 /nfs/dbraw/zinc/79/54/49/563795449.db2.gz TYPSIPXFCMDRKB-SNVBAGLBSA-N 0 3 315.244 3.655 50 0 DHAAHN c1cc(-c2noc(CN3CCC[C@@H]4CCCC[C@H]43)n2)cs1 ZINC000012739577 563818855 /nfs/dbraw/zinc/81/88/55/563818855.db2.gz LUWLQDIYACZGME-GXTWGEPZSA-N 0 3 303.431 3.953 50 0 DHAAHN Cc1ncsc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000086279343 563844947 /nfs/dbraw/zinc/84/49/47/563844947.db2.gz AJRCGFDIHPXMEF-GFCCVEGCSA-N 0 3 312.442 3.796 50 0 DHAAHN CN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000012902141 563853378 /nfs/dbraw/zinc/85/33/78/563853378.db2.gz MKOYFHPBNVLVKW-FQEVSTJZSA-N 0 3 322.452 3.598 50 0 DHAAHN O[C@H](CN1CC[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000229720024 563870964 /nfs/dbraw/zinc/87/09/64/563870964.db2.gz XXXVGSWKBKQDCE-CRAIPNDOSA-N 0 3 301.817 3.863 50 0 DHAAHN CN(Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCSC1 ZINC000089356055 563884783 /nfs/dbraw/zinc/88/47/83/563884783.db2.gz IPQGVFLXCLXXMU-KRWDZBQOSA-N 0 3 314.454 3.598 50 0 DHAAHN Cc1ccc(NC(=O)[C@H](C)N2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000036429275 563899232 /nfs/dbraw/zinc/89/92/32/563899232.db2.gz MSNKOFCRZPUSKV-GVDBMIGSSA-N 0 3 300.446 3.834 50 0 DHAAHN CCN1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000006938266 563900129 /nfs/dbraw/zinc/90/01/29/563900129.db2.gz QBVQZESMPLODGS-UHFFFAOYSA-N 0 3 316.232 3.599 50 0 DHAAHN CCc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccs2)cc1 ZINC000007375786 563905478 /nfs/dbraw/zinc/90/54/78/563905478.db2.gz PUPNJSSNPJOWRE-STQMWFEESA-N 0 3 302.443 3.988 50 0 DHAAHN c1coc(-c2nnc(CN[C@@H]3CCC[C@H]3Cc3ccccc3)o2)c1 ZINC000170612369 563907999 /nfs/dbraw/zinc/90/79/99/563907999.db2.gz IEEZYUITRLTGHI-JKSUJKDBSA-N 0 3 323.396 3.831 50 0 DHAAHN Cc1ccc(NC(=O)CCN[C@H](C)c2ccncc2)c(Cl)c1 ZINC000089669701 563910889 /nfs/dbraw/zinc/91/08/89/563910889.db2.gz WCFFFFXYJUWWNK-CYBMUJFWSA-N 0 3 317.820 3.723 50 0 DHAAHN CC(C)[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccccc1 ZINC000089801781 563911494 /nfs/dbraw/zinc/91/14/94/563911494.db2.gz PCAIFJUIJXCDFA-HXUWFJFHSA-N 0 3 320.440 3.813 50 0 DHAAHN CC(C)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000089885202 563911958 /nfs/dbraw/zinc/91/19/58/563911958.db2.gz UBPLVFWMIFCHHB-UHFFFAOYSA-N 0 3 323.362 3.784 50 0 DHAAHN C[C@H](NC(=O)c1cccc(CN)c1)c1ccc(C(F)(F)F)cc1 ZINC000252503677 563916298 /nfs/dbraw/zinc/91/62/98/563916298.db2.gz VFNFOLJRBACKLT-NSHDSACASA-N 0 3 322.330 3.655 50 0 DHAAHN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[C@]2(CC=CCC2)C1 ZINC000252516766 563916622 /nfs/dbraw/zinc/91/66/22/563916622.db2.gz WTUXWCSSBUOUSE-SOAMZJECSA-N 0 3 318.505 3.987 50 0 DHAAHN CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000037619327 563919371 /nfs/dbraw/zinc/91/93/71/563919371.db2.gz OSLLVFGCOKJNNK-NOZJJQNGSA-N 0 3 303.233 3.688 50 0 DHAAHN C[C@H](c1cccnc1)N(C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000195561948 563919781 /nfs/dbraw/zinc/91/97/81/563919781.db2.gz QHEFRYXQEQFSTI-OAHLLOKOSA-N 0 3 306.413 3.675 50 0 DHAAHN CCN(CC)CCOC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000019893874 563923703 /nfs/dbraw/zinc/92/37/03/563923703.db2.gz OSLSWHPYKPEXEI-UHFFFAOYSA-N 0 3 305.205 3.884 50 0 DHAAHN C[C@H](c1cccnc1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000253425660 563925068 /nfs/dbraw/zinc/92/50/68/563925068.db2.gz BDBWOJFVZQKCPM-MRXNPFEDSA-N 0 3 318.424 3.513 50 0 DHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccoc1 ZINC000584892436 563925581 /nfs/dbraw/zinc/92/55/81/563925581.db2.gz FLRUJDXGJWMANQ-SFHVURJKSA-N 0 3 312.413 3.627 50 0 DHAAHN COc1ccc(CNCc2ccc(Br)c(F)c2)cc1 ZINC000110386629 563927246 /nfs/dbraw/zinc/92/72/46/563927246.db2.gz IDFUZNKFAJDGGG-UHFFFAOYSA-N 0 3 324.193 3.887 50 0 DHAAHN Cc1ccccc1[C@@H]1CCCN1Cc1nc2ccccc2[nH]c1=O ZINC000097201671 563937801 /nfs/dbraw/zinc/93/78/01/563937801.db2.gz HNYCDJKCINCFKC-IBGZPJMESA-N 0 3 319.408 3.569 50 0 DHAAHN C[C@H](c1ccccc1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000097132245 563937821 /nfs/dbraw/zinc/93/78/21/563937821.db2.gz JMBDWKKGOUZKHY-QGZVFWFLSA-N 0 3 308.425 3.596 50 0 DHAAHN CC(C)[C@H](NC1CCCCC1)c1nc(-c2cccnc2)no1 ZINC000162815630 563941743 /nfs/dbraw/zinc/94/17/43/563941743.db2.gz IXMBORLHSKPGLU-HNNXBMFYSA-N 0 3 300.406 3.751 50 0 DHAAHN Cc1cnn([C@H](C)[C@H](C)NCc2cc(-c3ccccc3)no2)c1 ZINC000069520684 563953134 /nfs/dbraw/zinc/95/31/34/563953134.db2.gz DDRSUZLRZIGMMB-LSDHHAIUSA-N 0 3 310.401 3.586 50 0 DHAAHN CC(C)[C@@H](C)CC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000069808791 563954750 /nfs/dbraw/zinc/95/47/50/563954750.db2.gz JQTCZLQXTHIPNN-HNNXBMFYSA-N 0 3 317.477 3.813 50 0 DHAAHN Cc1ccc([C@@H](CNc2nccc(C(F)(F)F)n2)N(C)C)cc1 ZINC000067383168 568413496 /nfs/dbraw/zinc/41/34/96/568413496.db2.gz BTBKHXMRTMSIRZ-CYBMUJFWSA-N 0 3 324.350 3.519 50 0 DHAAHN COc1cccc([C@@H](O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000000406098 568421605 /nfs/dbraw/zinc/42/16/05/568421605.db2.gz OWPDNPXNAVGVSB-FQEVSTJZSA-N 0 3 311.425 3.641 50 0 DHAAHN Cc1ccc(F)c(CN[C@@H](Cn2ccnc2)C(C)(C)C)c1F ZINC000952869895 1032669401 /nfs/dbraw/zinc/66/94/01/1032669401.db2.gz ONASXXYGQRNSRW-HNNXBMFYSA-N 0 3 307.388 3.674 50 0 DHAAHN O=C(CN1CCCCCC1)N(Cc1ccccc1)C1CCCC1 ZINC000952864859 1032670521 /nfs/dbraw/zinc/67/05/21/1032670521.db2.gz MXHGZZPUXFCRTC-UHFFFAOYSA-N 0 3 314.473 3.834 50 0 DHAAHN CN(Cc1ccc(Cl)o1)C[C@H]1CCN(c2ccccc2)C1 ZINC000952863970 1032671952 /nfs/dbraw/zinc/67/19/52/1032671952.db2.gz GZFXHZAECFSLCC-CQSZACIVSA-N 0 3 304.821 3.891 50 0 DHAAHN C[C@H](N[C@@H](CO)c1ccsc1)c1cc2ccncc2s1 ZINC000657975675 1020056209 /nfs/dbraw/zinc/05/62/09/1020056209.db2.gz CZQYBXZHRWQWNL-GWCFXTLKSA-N 0 3 304.440 3.742 50 0 DHAAHN O=C(CCC(F)(F)F)Nc1ccccc1CN1CCCC1 ZINC000079542578 1023198872 /nfs/dbraw/zinc/19/88/72/1023198872.db2.gz GLJCBFJKHNZSFL-UHFFFAOYSA-N 0 3 300.324 3.563 50 0 DHAAHN CN(CCc1ccccn1)Cc1ccc2cccc(Cl)c2n1 ZINC000215821031 1024524596 /nfs/dbraw/zinc/52/45/96/1024524596.db2.gz IBFNMTJBPSEPNA-UHFFFAOYSA-N 0 3 311.816 3.958 50 0 DHAAHN CCCN(CCN1CCCC1)C(=O)c1cc2cccc(F)c2o1 ZINC000585082350 1029626803 /nfs/dbraw/zinc/62/68/03/1029626803.db2.gz HHVRKAVVNMQOQQ-UHFFFAOYSA-N 0 3 318.392 3.520 50 0 DHAAHN O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]1C1CCC1 ZINC000102876074 1034665292 /nfs/dbraw/zinc/66/52/92/1034665292.db2.gz UDYUZIVHFBRLNG-IBGZPJMESA-N 0 3 312.457 3.687 50 0 DHAAHN O[C@@H](c1ccccc1)[C@H](N[C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000850470461 1037853408 /nfs/dbraw/zinc/85/34/08/1037853408.db2.gz DWJRECHTIXAXPW-ZCNNSNEGSA-N 0 3 323.436 3.763 50 0 DHAAHN CCOc1ccccc1CNC[C@H](c1ccco1)N1CCCC1 ZINC000078940969 185132416 /nfs/dbraw/zinc/13/24/16/185132416.db2.gz QGHMATYUKKVXJG-QGZVFWFLSA-N 0 3 314.429 3.605 50 0 DHAAHN Cc1noc(CCCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000078970998 185137255 /nfs/dbraw/zinc/13/72/55/185137255.db2.gz WHNBNJYPCKYWTM-BLLLJJGKSA-N 0 3 315.417 3.692 50 0 DHAAHN CC(C)C[C@@H](NCCNC(=O)c1ccccc1)c1ccccc1 ZINC000079015303 185146298 /nfs/dbraw/zinc/14/62/98/185146298.db2.gz IDPFXIURGIFVBL-LJQANCHMSA-N 0 3 310.441 3.793 50 0 DHAAHN Cn1ccnc1[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000082108798 192356715 /nfs/dbraw/zinc/35/67/15/192356715.db2.gz UYNNBVOHUZHBAS-AWEZNQCLSA-N 0 3 323.362 3.819 50 0 DHAAHN Cc1cccc(C)c1NC(=O)CN[C@H](C)Cc1ccsc1 ZINC000095419324 185359673 /nfs/dbraw/zinc/35/96/73/185359673.db2.gz JYLDHIHPOQQMMP-CQSZACIVSA-N 0 3 302.443 3.524 50 0 DHAAHN COc1ccccc1C1(CN[C@H](C)c2cnccn2)CCCC1 ZINC000095420731 185360417 /nfs/dbraw/zinc/36/04/17/185360417.db2.gz OWQTWIZOADOGHD-OAHLLOKOSA-N 0 3 311.429 3.648 50 0 DHAAHN CC(C)c1ccc(/C=C/CC(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000095450366 185368762 /nfs/dbraw/zinc/36/87/62/185368762.db2.gz BSSZSEVSHWQANN-SQRWCISFSA-N 0 3 314.473 3.812 50 0 DHAAHN Clc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1Cl ZINC000095459516 185370622 /nfs/dbraw/zinc/37/06/22/185370622.db2.gz WPYXOBZUBNQDCK-GFCCVEGCSA-N 0 3 316.228 3.769 50 0 DHAAHN COc1cccc(C[C@H](C)NCc2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000067982106 190741501 /nfs/dbraw/zinc/74/15/01/190741501.db2.gz AOQVSGGXACTGSD-HNNXBMFYSA-N 0 3 323.440 3.909 50 0 DHAAHN CCN1CC[C@@H](N(C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000071769281 191029876 /nfs/dbraw/zinc/02/98/76/191029876.db2.gz KRDBFLFYOFKQKD-GOSISDBHSA-N 0 3 309.413 3.819 50 0 DHAAHN C[C@@H](c1ccccn1)N(C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072453463 191171595 /nfs/dbraw/zinc/17/15/95/191171595.db2.gz PVEIPQDOFXHKTR-INIZCTEOSA-N 0 3 312.457 3.978 50 0 DHAAHN CN(Cc1cc(F)cc2cccnc21)[C@@H](CCO)c1ccccc1 ZINC000072773177 191227206 /nfs/dbraw/zinc/22/72/06/191227206.db2.gz GUVJOHOAEPVRAY-IBGZPJMESA-N 0 3 324.399 3.929 50 0 DHAAHN Cc1ccc(CN[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000003338312 181008352 /nfs/dbraw/zinc/00/83/52/181008352.db2.gz CJHGXPOGHWPUIO-GFCCVEGCSA-N 0 3 320.795 3.904 50 0 DHAAHN CCN(Cc1ccncc1)Cc1ccc(Br)cc1 ZINC000004676932 181135304 /nfs/dbraw/zinc/13/53/04/181135304.db2.gz IJMSRENJAYRLKG-UHFFFAOYSA-N 0 3 305.219 3.866 50 0 DHAAHN C[C@@H](O)CNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942920 181176759 /nfs/dbraw/zinc/17/67/59/181176759.db2.gz PBINHKISSDLYSG-SECBINFHSA-N 0 3 300.185 3.724 50 0 DHAAHN CC(C)(C)c1cc(CN2CCC[C@@H](O)C2)cc(C(C)(C)C)c1O ZINC000004990174 181185720 /nfs/dbraw/zinc/18/57/20/181185720.db2.gz FUQNVSQQCQUZOK-OAHLLOKOSA-N 0 3 319.489 3.944 50 0 DHAAHN Cc1ccn(-c2ccccc2CN[C@@H](C)c2cccc(O)c2)n1 ZINC000194931706 201313065 /nfs/dbraw/zinc/31/30/65/201313065.db2.gz DOKGOHMVCCNXLH-HNNXBMFYSA-N 0 3 307.397 3.737 50 0 DHAAHN Cc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000006729168 181378430 /nfs/dbraw/zinc/37/84/30/181378430.db2.gz YICZNHYXCVBUIM-UHFFFAOYSA-N 0 3 323.440 3.781 50 0 DHAAHN CCc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000006741273 181380405 /nfs/dbraw/zinc/38/04/05/181380405.db2.gz SSNJLIUTFJNJOZ-UHFFFAOYSA-N 0 3 315.461 3.731 50 0 DHAAHN O=C(Nc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063556 181599392 /nfs/dbraw/zinc/59/93/92/181599392.db2.gz CHXCBEZNSUAWRJ-UHFFFAOYSA-N 0 3 312.388 3.676 50 0 DHAAHN Cc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000016606446 182053197 /nfs/dbraw/zinc/05/31/97/182053197.db2.gz MZSAIOONZVPBPU-UHFFFAOYSA-N 0 3 314.473 3.656 50 0 DHAAHN CCOc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019359662 182118684 /nfs/dbraw/zinc/11/86/84/182118684.db2.gz CFSBYLBRWKJABK-GOSISDBHSA-N 0 3 314.473 3.559 50 0 DHAAHN CC[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019499999 182126215 /nfs/dbraw/zinc/12/62/15/182126215.db2.gz SEZBPXGYGXVRJL-MRXNPFEDSA-N 0 3 322.452 3.773 50 0 DHAAHN Clc1ccccc1OC1CCN(CCc2ccccn2)CC1 ZINC000019595507 182133326 /nfs/dbraw/zinc/13/33/26/182133326.db2.gz BMNDFWQLWYMSGX-UHFFFAOYSA-N 0 3 316.832 3.821 50 0 DHAAHN Fc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 ZINC000019842470 182155648 /nfs/dbraw/zinc/15/56/48/182155648.db2.gz NQZRCBYSGCLKDD-UHFFFAOYSA-N 0 3 312.432 3.576 50 0 DHAAHN CN1CCN(CCCCOc2ccccc2-c2ccccc2)CC1 ZINC000020118527 182189144 /nfs/dbraw/zinc/18/91/44/182189144.db2.gz ZPRZGEJEFRDCKP-UHFFFAOYSA-N 0 3 324.468 3.760 50 0 DHAAHN CCN1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020406450 182214825 /nfs/dbraw/zinc/21/48/25/182214825.db2.gz RFLMDZCYHCLEGJ-UHFFFAOYSA-N 0 3 324.468 3.760 50 0 DHAAHN O=C(C[C@H]1NCCc2ccccc21)Nc1ccccc1Cl ZINC000020404871 182215360 /nfs/dbraw/zinc/21/53/60/182215360.db2.gz ABJDZBPTRZYDHL-MRXNPFEDSA-N 0 3 300.789 3.556 50 0 DHAAHN Clc1cccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)c1 ZINC000020437271 182217975 /nfs/dbraw/zinc/21/79/75/182217975.db2.gz OIDXZLIXHSLXJS-MRXNPFEDSA-N 0 3 304.865 3.814 50 0 DHAAHN CCCCN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000022078720 182308645 /nfs/dbraw/zinc/30/86/45/182308645.db2.gz FVMXKUBHEQLGFD-KRWDZBQOSA-N 0 3 316.445 3.605 50 0 DHAAHN c1[nH]nc2ccc(NC3CCN(Cc4ccccc4)CC3)cc12 ZINC000023549779 182362942 /nfs/dbraw/zinc/36/29/42/182362942.db2.gz GURWIHFJWAKPGX-UHFFFAOYSA-N 0 3 306.413 3.639 50 0 DHAAHN CC(C)[C@@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccccc1 ZINC000040002684 183027741 /nfs/dbraw/zinc/02/77/41/183027741.db2.gz OHCMDCOUVYMADX-WMLDXEAASA-N 0 3 316.470 3.740 50 0 DHAAHN Cc1cc(NCc2ccc3c(c2)OCCO3)c2ccccc2n1 ZINC000040047093 183029926 /nfs/dbraw/zinc/02/99/26/183029926.db2.gz USQVMMJROPSLSI-UHFFFAOYSA-N 0 3 306.365 3.927 50 0 DHAAHN O=C(Cc1ccccc1F)Nc1cccc(CN2CCCC2)c1 ZINC000040086934 183032125 /nfs/dbraw/zinc/03/21/25/183032125.db2.gz RKXYLNPUGABJBM-UHFFFAOYSA-N 0 3 312.388 3.603 50 0 DHAAHN O=C(CCC1CCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000057288281 184032025 /nfs/dbraw/zinc/03/20/25/184032025.db2.gz RYMPBFXVBIFCEW-MRXNPFEDSA-N 0 3 320.502 3.972 50 0 DHAAHN Cc1cc(-n2nc(CCc3ccccc3)nc2C2CC2)ccn1 ZINC000065394616 184334395 /nfs/dbraw/zinc/33/43/95/184334395.db2.gz AGESVOCUXWRYGS-UHFFFAOYSA-N 0 3 304.397 3.633 50 0 DHAAHN CC(=O)NCC1=CCCN(C(c2ccccc2)c2ccccc2)C1 ZINC000065432941 184344012 /nfs/dbraw/zinc/34/40/12/184344012.db2.gz HIGJXEZNOCEOPO-UHFFFAOYSA-N 0 3 320.436 3.544 50 0 DHAAHN COc1cccc(NC(=O)c2cccc(CN(C)C(C)C)c2)c1 ZINC000065465684 184350034 /nfs/dbraw/zinc/35/00/34/184350034.db2.gz KWFNWGJPULYHTK-UHFFFAOYSA-N 0 3 312.413 3.788 50 0 DHAAHN CN1CC[C@H](NC(=O)c2ccc(-c3ccc4occc4c3)cc2)C1 ZINC000426715848 257243534 /nfs/dbraw/zinc/24/35/34/257243534.db2.gz IXYMJTRAFAYFCR-SFHVURJKSA-N 0 3 320.392 3.534 50 0 DHAAHN c1csc(COc2ccc(CNC[C@@H]3CCCO3)cc2)c1 ZINC000016430655 257268633 /nfs/dbraw/zinc/26/86/33/257268633.db2.gz FXCLMISDXDCPOL-INIZCTEOSA-N 0 3 303.427 3.596 50 0 DHAAHN C[C@H](c1cccc(Br)c1)N1CCN2CCCC[C@H]2C1 ZINC000242242346 563914069 /nfs/dbraw/zinc/91/40/69/563914069.db2.gz XUBABOMOGAUIIY-CJNGLKHVSA-N 0 3 323.278 3.680 50 0 DHAAHN CC(C)C[C@H](NC[C@@](C)(O)c1cccs1)c1ccccn1 ZINC000095422977 563477244 /nfs/dbraw/zinc/47/72/44/563477244.db2.gz PWHSZVALJYDNOB-DOTOQJQBSA-N 0 3 304.459 3.728 50 0 DHAAHN COC(=O)CN1C(C)=Nc2ccc(C)cc2[C@@H]1c1ccccc1 ZINC000000179151 563228729 /nfs/dbraw/zinc/22/87/29/563228729.db2.gz VWBYNUFXYIBZNI-IBGZPJMESA-N 0 3 308.381 3.623 50 0 DHAAHN CCC[C@@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000009063156 563351323 /nfs/dbraw/zinc/35/13/23/563351323.db2.gz MQWJRYAOHOSEOH-MRXNPFEDSA-N 0 3 302.462 3.512 50 0 DHAAHN Cc1nc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)c[nH]1 ZINC000011817073 563359817 /nfs/dbraw/zinc/35/98/17/563359817.db2.gz AWVGPOKARKRIDF-AWEZNQCLSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1ncc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)[nH]1 ZINC000011817073 563359820 /nfs/dbraw/zinc/35/98/20/563359820.db2.gz AWVGPOKARKRIDF-AWEZNQCLSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC1CCC1 ZINC000012112132 563361953 /nfs/dbraw/zinc/36/19/53/563361953.db2.gz KUZRZCARZINRCZ-CQSZACIVSA-N 0 3 302.466 3.759 50 0 DHAAHN C[C@@H](c1cccnc1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229923051 563372257 /nfs/dbraw/zinc/37/22/57/563372257.db2.gz KKOOIDKFASFXOP-WCQYABFASA-N 0 3 324.350 3.764 50 0 DHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1ccccc1 ZINC000012806194 563374227 /nfs/dbraw/zinc/37/42/27/563374227.db2.gz CNWSNZSSJSLCTJ-GOSISDBHSA-N 0 3 309.413 3.645 50 0 DHAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCCc2ccccc21 ZINC000013675538 563385484 /nfs/dbraw/zinc/38/54/84/563385484.db2.gz GBXCGKJZQZDILE-UHFFFAOYSA-N 0 3 320.436 3.875 50 0 DHAAHN C[C@@H]1[C@H](OC(=O)c2ccccc2)CCN(Cc2ccco2)[C@H]1C ZINC000015319279 563409210 /nfs/dbraw/zinc/40/92/10/563409210.db2.gz IEDBZMWATZKGIT-RLFYNMQTSA-N 0 3 313.397 3.736 50 0 DHAAHN CC(=O)c1ccc(N2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000019809268 563415914 /nfs/dbraw/zinc/41/59/14/563415914.db2.gz OSYXALRTYMLNGD-UHFFFAOYSA-N 0 3 300.446 3.590 50 0 DHAAHN Cc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027582117 563428525 /nfs/dbraw/zinc/42/85/25/563428525.db2.gz UAADRYPVYYEZSK-INIZCTEOSA-N 0 3 314.454 3.623 50 0 DHAAHN Cc1nn(C)c(C)c1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000032540683 563442507 /nfs/dbraw/zinc/44/25/07/563442507.db2.gz QPAIUBSKEFQFMG-UHFFFAOYSA-N 0 3 315.436 3.631 50 0 DHAAHN CCSCCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000072304851 563443823 /nfs/dbraw/zinc/44/38/23/563443823.db2.gz GJHWIMNYVZVZAT-HNNXBMFYSA-N 0 3 307.459 3.738 50 0 DHAAHN Cc1nn(C)cc1CN1CCCCC[C@H]1c1cccc(F)c1 ZINC000033087111 563444275 /nfs/dbraw/zinc/44/42/75/563444275.db2.gz PILGVLAABXGSPG-SFHVURJKSA-N 0 3 301.409 3.985 50 0 DHAAHN CCCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000001773231 563447975 /nfs/dbraw/zinc/44/79/75/563447975.db2.gz BGRBXELRMMVNBC-WMZOPIPTSA-N 0 3 300.446 3.710 50 0 biogenic DHAAHN CCCc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000000568118 563448108 /nfs/dbraw/zinc/44/81/08/563448108.db2.gz BHCBMINIBNBATN-QFBILLFUSA-N 0 3 313.441 3.730 50 0 DHAAHN Clc1ccccc1-c1ccc(CNCCCn2ccnc2)o1 ZINC000035268967 563452529 /nfs/dbraw/zinc/45/25/29/563452529.db2.gz LNNCOZNPHKPCTK-UHFFFAOYSA-N 0 3 315.804 3.976 50 0 DHAAHN C[C@@H](CNCc1ccc(Cl)cc1Cl)Oc1ccccn1 ZINC000035287331 563452639 /nfs/dbraw/zinc/45/26/39/563452639.db2.gz JCNMXUVOLRRIAV-NSHDSACASA-N 0 3 311.212 3.946 50 0 DHAAHN CN(C(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000044910263 563464452 /nfs/dbraw/zinc/46/44/52/563464452.db2.gz GOVUANTXUSCFKV-UHFFFAOYSA-N 0 3 308.425 3.562 50 0 DHAAHN COc1ccc(CN(Cc2ccco2)[C@@H](C)C(C)C)cc1CO ZINC000055326218 563474578 /nfs/dbraw/zinc/47/45/78/563474578.db2.gz OKGLRNGOQJKKBX-HNNXBMFYSA-N 0 3 317.429 3.827 50 0 DHAAHN CN(C)Cc1cccc(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000096410957 563480338 /nfs/dbraw/zinc/48/03/38/563480338.db2.gz WDXOIDZEMTWUTJ-INIZCTEOSA-N 0 3 312.438 3.576 50 0 DHAAHN C[C@@H](c1ccc(-c2nccn2Cc2ccccn2)cc1)N(C)C ZINC000067787568 563490410 /nfs/dbraw/zinc/49/04/10/563490410.db2.gz XAHDUQRDMXZYLJ-HNNXBMFYSA-N 0 3 306.413 3.616 50 0 DHAAHN c1[nH]nc(C2CCN(Cc3ccccn3)CC2)c1-c1ccccc1 ZINC000067847198 563492367 /nfs/dbraw/zinc/49/23/67/563492367.db2.gz CSWYEOCQIAZITB-UHFFFAOYSA-N 0 3 318.424 3.851 50 0 DHAAHN Cc1cc(CNCc2c(C)n(CC(C)C)c3ccccc23)[nH]n1 ZINC000067920699 563493605 /nfs/dbraw/zinc/49/36/05/563493605.db2.gz CWBJSTUEMJOXNR-UHFFFAOYSA-N 0 3 310.445 3.927 50 0 DHAAHN Cc1cc(CNCc2c(C)n(CC(C)C)c3ccccc23)n[nH]1 ZINC000067920699 563493606 /nfs/dbraw/zinc/49/36/06/563493606.db2.gz CWBJSTUEMJOXNR-UHFFFAOYSA-N 0 3 310.445 3.927 50 0 DHAAHN C[C@H](c1ccccc1)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000096024988 563531252 /nfs/dbraw/zinc/53/12/52/563531252.db2.gz SCBZIRLPWKMXGG-PVAVHDDUSA-N 0 3 316.445 3.689 50 0 DHAAHN c1coc([C@H](CNc2ncnc3ccccc32)N2CCCCC2)c1 ZINC000014165414 563560620 /nfs/dbraw/zinc/56/06/20/563560620.db2.gz MGADAHVNGBYYMX-KRWDZBQOSA-N 0 3 322.412 3.862 50 0 DHAAHN CC(C)c1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1 ZINC000000299655 563585286 /nfs/dbraw/zinc/58/52/86/563585286.db2.gz HBFZGNZOCIRZJD-UHFFFAOYSA-N 0 3 316.489 3.937 50 0 DHAAHN O[C@@H](c1ccccc1)c1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 ZINC000000382803 563591346 /nfs/dbraw/zinc/59/13/46/563591346.db2.gz AHBSFBQHTBVUMG-RXVVDRJESA-N 0 3 318.420 3.704 50 0 DHAAHN O=C(c1ccoc1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000069414581 563615659 /nfs/dbraw/zinc/61/56/59/563615659.db2.gz YTUUAGUYVVANQS-MOPGFXCFSA-N 0 3 324.424 3.549 50 0 DHAAHN COCCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008469131 563643598 /nfs/dbraw/zinc/64/35/98/563643598.db2.gz JPBQEBMCDIESRU-UHFFFAOYSA-N 0 3 323.795 3.794 50 0 DHAAHN FC(F)(F)c1cnc(N[C@H]2CCN3CCCC[C@H]23)c(Cl)c1 ZINC000047975378 563692499 /nfs/dbraw/zinc/69/24/99/563692499.db2.gz MWUCWAYOQTVIDR-NWDGAFQWSA-N 0 3 319.758 3.793 50 0 DHAAHN CN(CCC[C@H]1CCCO1)Cc1cnc(C2CCCCC2)nc1 ZINC000215456236 563705862 /nfs/dbraw/zinc/70/58/62/563705862.db2.gz DNMXYKFFWZMQDM-SFHVURJKSA-N 0 3 317.477 3.915 50 0 DHAAHN C[C@@H](c1cccnc1)N(C)Cc1cc(CN2CCCC2)cs1 ZINC000215552435 563706100 /nfs/dbraw/zinc/70/61/00/563706100.db2.gz NVDFIYJIRDLZMB-HNNXBMFYSA-N 0 3 315.486 3.932 50 0 DHAAHN COc1cccc([C@@H]2CCCCN2Cc2cccc3nonc32)c1 ZINC000216370181 563708975 /nfs/dbraw/zinc/70/89/75/563708975.db2.gz LBHSMMVQDAVCNK-SFHVURJKSA-N 0 3 323.396 3.959 50 0 DHAAHN Cc1ccc(CN(C)Cc2cc(CN3CCCC3)cs2)o1 ZINC000216435847 563709925 /nfs/dbraw/zinc/70/99/25/563709925.db2.gz KYLXXPSGJZEXMA-UHFFFAOYSA-N 0 3 304.459 3.877 50 0 DHAAHN C[C@@H](CO)CNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000225517478 563758174 /nfs/dbraw/zinc/75/81/74/563758174.db2.gz STWKJNAUVUFHHC-SNVBAGLBSA-N 0 3 314.212 3.971 50 0 DHAAHN OCCC[C@@H]1CCCN1Cc1cc2ccccc2nc1Cl ZINC000052759526 563794096 /nfs/dbraw/zinc/79/40/96/563794096.db2.gz AFDLODLWSPKQBW-HNNXBMFYSA-N 0 3 304.821 3.625 50 0 DHAAHN Oc1ccccc1N1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000084581915 563828185 /nfs/dbraw/zinc/82/81/85/563828185.db2.gz MKNFMOCABTYPHS-SFHVURJKSA-N 0 3 308.425 3.592 50 0 DHAAHN CC[C@@H](C(=O)Nc1ccc2c3c(cccc31)CC2)N(CC)CC ZINC000084718767 563830514 /nfs/dbraw/zinc/83/05/14/563830514.db2.gz TVIOEDGEZWCMPA-SFHVURJKSA-N 0 3 310.441 3.997 50 0 DHAAHN CN(C)c1ccncc1CN[C@H]1CC(C)(C)Oc2ccccc21 ZINC000185212386 563837381 /nfs/dbraw/zinc/83/73/81/563837381.db2.gz PCQHALIQVZPCII-INIZCTEOSA-N 0 3 311.429 3.540 50 0 DHAAHN CN(CC(=O)Nc1ccccc1SC(F)F)C1CCCC1 ZINC000053436563 563863208 /nfs/dbraw/zinc/86/32/08/563863208.db2.gz VPSDLXQZWZULSE-UHFFFAOYSA-N 0 3 314.401 3.814 50 0 DHAAHN CC(C)N(Cc1cccs1)C[C@H](O)COCc1ccccc1 ZINC000036103351 563894111 /nfs/dbraw/zinc/89/41/11/563894111.db2.gz ODUNOJLHYWADCI-KRWDZBQOSA-N 0 3 319.470 3.536 50 0 DHAAHN c1nc2ccccc2n1-c1ccc(CNCc2cccnc2)cc1 ZINC000009883981 563909133 /nfs/dbraw/zinc/90/91/33/563909133.db2.gz FCBXACQEKLHNOH-UHFFFAOYSA-N 0 3 314.392 3.710 50 0 DHAAHN CC[C@@H](C)c1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000013775553 563909999 /nfs/dbraw/zinc/90/99/99/563909999.db2.gz QJKVYXBBYWHJTG-CYBMUJFWSA-N 0 3 305.491 3.581 50 0 DHAAHN CCCCN(C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000002159961 563915693 /nfs/dbraw/zinc/91/56/93/563915693.db2.gz BGSZDPJMIDBZCN-HXUWFJFHSA-N 0 3 324.468 3.819 50 0 DHAAHN Ic1ccccc1CNC1CCCCC1 ZINC000007736211 563918475 /nfs/dbraw/zinc/91/84/75/563918475.db2.gz FJIUFGQFCLZJOQ-UHFFFAOYSA-N 0 3 315.198 3.714 50 0 DHAAHN CC1CCN(Cc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000037547431 563918728 /nfs/dbraw/zinc/91/87/28/563918728.db2.gz AVVAEKZIMWTVDW-UHFFFAOYSA-N 0 3 322.452 3.849 50 0 DHAAHN CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000037619326 563919353 /nfs/dbraw/zinc/91/93/53/563919353.db2.gz OSLLVFGCOKJNNK-RNCFNFMXSA-N 0 3 303.233 3.688 50 0 DHAAHN COCCCCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000253430630 563925283 /nfs/dbraw/zinc/92/52/83/563925283.db2.gz ROSVMFRKEXQQJA-HNNXBMFYSA-N 0 3 307.825 3.780 50 0 DHAAHN Cc1ccc([C@@H](C)NC(=O)CN(C)[C@H](C)C(C)(C)C)cc1C ZINC000109022577 563927159 /nfs/dbraw/zinc/92/71/59/563927159.db2.gz NXNUNTBCTJCGTI-HZPDHXFCSA-N 0 3 304.478 3.847 50 0 DHAAHN COc1ccccc1[C@@H](C)NCc1ccc(F)c(CN(C)C)c1 ZINC000095422496 563931359 /nfs/dbraw/zinc/93/13/59/563931359.db2.gz SCDNEGNOBNEELL-CQSZACIVSA-N 0 3 316.420 3.747 50 0 DHAAHN COc1ccc([C@@H](OC)[C@@H](C)NCc2ccccc2OC)cc1 ZINC000095459059 563931495 /nfs/dbraw/zinc/93/14/95/563931495.db2.gz ULAXSTQSVWGPCE-KUHUBIRLSA-N 0 3 315.413 3.570 50 0 DHAAHN Cc1cccc([C@H](NCc2cc(=O)c(O)co2)C(C)(C)C)c1 ZINC000095985704 563934080 /nfs/dbraw/zinc/93/40/80/563934080.db2.gz FXKRVDRWQUQBPL-KRWDZBQOSA-N 0 3 301.386 3.531 50 0 DHAAHN CCCOc1ccc(CNC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000095989204 563934237 /nfs/dbraw/zinc/93/42/37/563934237.db2.gz WDBPPHHAYWXQGQ-SFHVURJKSA-N 0 3 319.445 3.641 50 0 DHAAHN Cn1cc(CN[C@H]2CCCc3ccccc32)c(-c2cccnc2)n1 ZINC000097159737 563937823 /nfs/dbraw/zinc/93/78/23/563937823.db2.gz BTLYGPYEMRAPDU-IBGZPJMESA-N 0 3 318.424 3.649 50 0 DHAAHN Cc1nc2scc(-c3ccccc3)c2c(NCCN(C)C)n1 ZINC000008147782 563946987 /nfs/dbraw/zinc/94/69/87/563946987.db2.gz UQVRSYLYYJOQTK-UHFFFAOYSA-N 0 3 312.442 3.640 50 0 DHAAHN Nc1ncc(CN2CCC[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000670469750 563947240 /nfs/dbraw/zinc/94/72/40/563947240.db2.gz PPDCALCXYZAEPF-LBPRGKRZSA-N 0 3 307.850 3.758 50 0 DHAAHN CN(C)Cc1cccc(NC(=O)c2sccc2C2CC2)c1 ZINC000067162523 563948574 /nfs/dbraw/zinc/94/85/74/563948574.db2.gz XZDNQNCBUDCFMQ-UHFFFAOYSA-N 0 3 300.427 3.939 50 0 DHAAHN CCCc1ccc(CN2CCC[C@@H](Cn3ccnc3C)C2)o1 ZINC000670472261 563948981 /nfs/dbraw/zinc/94/89/81/563948981.db2.gz QYSDJSZDLDGFIZ-MRXNPFEDSA-N 0 3 301.434 3.649 50 0 DHAAHN CCCCN(CC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008700902 563949834 /nfs/dbraw/zinc/94/98/34/563949834.db2.gz XRYMUXGFVRVDAZ-UHFFFAOYSA-N 0 3 302.418 3.879 50 0 DHAAHN CN1CCC[C@H](CSc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000069587117 563953834 /nfs/dbraw/zinc/95/38/34/563953834.db2.gz XIWQXUYQIUFACG-NSHDSACASA-N 0 3 323.849 3.824 50 0 DHAAHN O[C@@H](CN1CC[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000069737986 563954312 /nfs/dbraw/zinc/95/43/12/563954312.db2.gz XXXVGSWKBKQDCE-YJBOKZPZSA-N 0 3 301.817 3.863 50 0 DHAAHN CCN1CCC[C@H]1CNC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000071796257 563958689 /nfs/dbraw/zinc/95/86/89/563958689.db2.gz MTAHNHWUQCRPBV-HNNXBMFYSA-N 0 3 321.424 3.535 50 0 DHAAHN COc1ccc(CN[C@H]2CCc3c2cccc3F)cc1OC ZINC000071837178 563958947 /nfs/dbraw/zinc/95/89/47/563958947.db2.gz SYBGPPBJWOUDCB-INIZCTEOSA-N 0 3 301.361 3.620 50 0 DHAAHN C[C@@H](c1cccc(O)c1)N(C)CCc1nc(-c2ccccc2)no1 ZINC000077285097 563960795 /nfs/dbraw/zinc/96/07/95/563960795.db2.gz XRUDUXCJBONNPF-AWEZNQCLSA-N 0 3 323.396 3.678 50 0 DHAAHN CCc1nc2ccccc2c(N2CCC(n3cncn3)CC2)c1C ZINC000252498595 568413748 /nfs/dbraw/zinc/41/37/48/568413748.db2.gz RFRXZJOBBYJDSO-UHFFFAOYSA-N 0 3 321.428 3.539 50 0 DHAAHN CC(C)CC[NH+]1CCC(c2nnc(-c3ccccc3[O-])o2)CC1 ZINC000299803973 1013329968 /nfs/dbraw/zinc/32/99/68/1013329968.db2.gz NZPYPFOWDRAXBO-UHFFFAOYSA-N 0 3 315.417 3.668 50 0 DHAAHN Cc1cccc(N2CCC(NCc3ccnc(C(C)C)n3)CC2)c1 ZINC000952969143 1032680204 /nfs/dbraw/zinc/68/02/04/1032680204.db2.gz IACXSUMVJPIVKI-UHFFFAOYSA-N 0 3 324.472 3.667 50 0 DHAAHN COC(=O)c1cc(CNCc2c(C)c(C)c(C)c(C)c2C)c[nH]1 ZINC000158864200 1019557705 /nfs/dbraw/zinc/55/77/05/1019557705.db2.gz WKLCEHDOOLLXEK-UHFFFAOYSA-N 0 3 314.429 3.633 50 0 DHAAHN CCCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000047700711 1023684520 /nfs/dbraw/zinc/68/45/20/1023684520.db2.gz WHORDNDDDSXQGD-UHFFFAOYSA-N 0 3 321.774 3.676 50 0 DHAAHN COCc1cc(CN[C@@H](C)c2ccc3c(c2)CCO3)ccc1F ZINC000178483574 1024039456 /nfs/dbraw/zinc/03/94/56/1024039456.db2.gz HYADFKBMYJSGPH-ZDUSSCGKSA-N 0 3 315.388 3.758 50 0 DHAAHN CN1CCC2(CC1)N=C(c1ccc(C(C)(C)C)cc1)C(=S)N2 ZINC000067172589 1025637663 /nfs/dbraw/zinc/63/76/63/1025637663.db2.gz URSXYWGTYABNDV-UHFFFAOYSA-N 0 3 315.486 3.537 50 0 DHAAHN c1cncc(-c2cccc(CNCc3ccc4c(c3)OCO4)c2)c1 ZINC000032534881 1035848324 /nfs/dbraw/zinc/84/83/24/1035848324.db2.gz DTGIKYVYXMUROF-UHFFFAOYSA-N 0 3 318.376 3.767 50 0 DHAAHN C[C@@H](NCc1cc(C(N)=O)cs1)c1cccc2ccccc21 ZINC000079000546 185143936 /nfs/dbraw/zinc/14/39/36/185143936.db2.gz DZALNNOSSXEZSZ-GFCCVEGCSA-N 0 3 310.422 3.851 50 0 DHAAHN C[C@@H](NCCCn1ccnc1)c1nc(-c2ccccc2)cs1 ZINC000095419105 185359926 /nfs/dbraw/zinc/35/99/26/185359926.db2.gz UVEPHHNWSUNNCS-CQSZACIVSA-N 0 3 312.442 3.748 50 0 DHAAHN c1cnn(-c2cc(CN[C@@H]3CCSc4ccccc43)ccn2)c1 ZINC000095420076 185360046 /nfs/dbraw/zinc/36/00/46/185360046.db2.gz FHLWWHHLXFSYMM-MRXNPFEDSA-N 0 3 322.437 3.594 50 0 DHAAHN C[C@@H](NCCCc1nc2c(s1)CCCC2)c1cncc(F)c1 ZINC000095421701 185360942 /nfs/dbraw/zinc/36/09/42/185360942.db2.gz SMSYHPZVZHSWII-GFCCVEGCSA-N 0 3 319.449 3.839 50 0 DHAAHN Cc1ccc(C)c(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000095440195 185365933 /nfs/dbraw/zinc/36/59/33/185365933.db2.gz YBIBXFRXPKTPES-BTYIYWSLSA-N 0 3 301.455 3.892 50 0 DHAAHN CC(=O)c1cccc(-n2ccnc2-c2cccc(CN(C)C)c2)c1 ZINC000072166375 191065245 /nfs/dbraw/zinc/06/52/45/191065245.db2.gz CDYXGLRWMUJDGT-UHFFFAOYSA-N 0 3 319.408 3.804 50 0 DHAAHN CC[C@H]1CN(Cc2cc3cc(C)ccc3n2C)CCN1C(C)C ZINC000072162178 191062040 /nfs/dbraw/zinc/06/20/40/191062040.db2.gz GVGBJBVEHFMKIB-SFHVURJKSA-N 0 3 313.489 3.791 50 0 DHAAHN Cc1cc(C)nc(N[C@@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000072478105 191180104 /nfs/dbraw/zinc/18/01/04/191180104.db2.gz HLEZDSUPURBVTL-LJQANCHMSA-N 0 3 324.472 3.603 50 0 DHAAHN COc1ccc(Cl)cc1NC(=O)CN(C)C1CCCCC1 ZINC000003343609 181009415 /nfs/dbraw/zinc/00/94/15/181009415.db2.gz CEONVQJNAZKJEP-UHFFFAOYSA-N 0 3 310.825 3.552 50 0 DHAAHN CCN(CC)CCN(C(C)=O)c1nc2cc(C)cc(C)c2s1 ZINC000004359499 181101966 /nfs/dbraw/zinc/10/19/66/181101966.db2.gz AAIPCGIOIJEFOT-UHFFFAOYSA-N 0 3 319.474 3.608 50 0 DHAAHN CN(C)CCOC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000004794761 181152530 /nfs/dbraw/zinc/15/25/30/181152530.db2.gz VBJALSNRSMMLOO-UHFFFAOYSA-N 0 3 311.596 3.757 50 0 DHAAHN Cc1cc(Cl)ccc1OC[C@@H](O)CN[C@H](C)c1ccccc1 ZINC000005073471 181201241 /nfs/dbraw/zinc/20/12/41/181201241.db2.gz FXAIWIDYRBAWFK-PBHICJAKSA-N 0 3 319.832 3.739 50 0 DHAAHN CCC(=O)N1CC[C@H](N[C@H](C)c2cc3ccccc3s2)C1 ZINC000188156543 200201838 /nfs/dbraw/zinc/20/18/38/200201838.db2.gz BMHLVSKIGLAEOX-OCCSQVGLSA-N 0 3 302.443 3.563 50 0 DHAAHN COc1ccc(Cl)cc1NC(=O)[C@H](C)NC1CCCCC1 ZINC000006284958 181326246 /nfs/dbraw/zinc/32/62/46/181326246.db2.gz KUCXLTVQCVLNGY-NSHDSACASA-N 0 3 310.825 3.598 50 0 DHAAHN C[C@H]1CCCCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000006626663 181362365 /nfs/dbraw/zinc/36/23/65/181362365.db2.gz SZXXXOBSIGXURT-AAEUAGOBSA-N 0 3 318.244 3.608 50 0 DHAAHN CC[C@H](C)c1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC000006731244 181378986 /nfs/dbraw/zinc/37/89/86/181378986.db2.gz LTADXZKUHAHAGS-HNNXBMFYSA-N 0 3 303.450 3.808 50 0 DHAAHN CC1(C)CN(Cc2cccc(OC(F)(F)F)c2)CC[C@]1(C)O ZINC000091594183 193077820 /nfs/dbraw/zinc/07/78/20/193077820.db2.gz SPSCCJRCFSBNES-HNNXBMFYSA-N 0 3 317.351 3.568 50 0 DHAAHN CCC[C@@H](C)NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000016606812 182052848 /nfs/dbraw/zinc/05/28/48/182052848.db2.gz MJMWCVSFUJDHBD-MRXNPFEDSA-N 0 3 302.462 3.512 50 0 DHAAHN O=C(CN[C@@H]1CCCc2ccccc21)NCCC1=CCCCC1 ZINC000016695448 182057834 /nfs/dbraw/zinc/05/78/34/182057834.db2.gz YXEMIKLXKXCMNF-LJQANCHMSA-N 0 3 312.457 3.660 50 0 DHAAHN CC(=O)Nc1ccc(CNCCSc2ccccc2)cc1 ZINC000017318386 182082662 /nfs/dbraw/zinc/08/26/62/182082662.db2.gz XVHNJTKMHNUZPP-UHFFFAOYSA-N 0 3 300.427 3.527 50 0 DHAAHN CSc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019842554 182155981 /nfs/dbraw/zinc/15/59/81/182155981.db2.gz MUAMSZXLXZJADT-QGZVFWFLSA-N 0 3 316.514 3.882 50 0 DHAAHN CCCCN[C@@H]1C(C)=C(C)C(=O)N1[C@H](C)CCc1ccccc1 ZINC000020058092 182184535 /nfs/dbraw/zinc/18/45/35/182184535.db2.gz SSBLOYDKKYDGAY-BEFAXECRSA-N 0 3 314.473 3.902 50 0 DHAAHN CCN1CCN(CCOc2ccc(Cl)cc2C(C)(C)C)CC1 ZINC000020389831 182213328 /nfs/dbraw/zinc/21/33/28/182213328.db2.gz LZLYWWBJJMMILR-UHFFFAOYSA-N 0 3 324.896 3.654 50 0 DHAAHN c1coc(CN2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)c1 ZINC000020512222 182225921 /nfs/dbraw/zinc/22/59/21/182225921.db2.gz HGAHWGBYEUHTJM-KRWDZBQOSA-N 0 3 321.424 3.973 50 0 DHAAHN CC(C)Oc1ccc([C@@H](CCN2CCN(C)CC2)C(C)C)cc1 ZINC000020589781 182235656 /nfs/dbraw/zinc/23/56/56/182235656.db2.gz VQJJGCNIZPNNAP-FQEVSTJZSA-N 0 3 318.505 3.851 50 0 DHAAHN C[C@H](NCc1ccc(Cl)s1)c1ccc(-n2cncn2)cc1 ZINC000022817008 182335673 /nfs/dbraw/zinc/33/56/73/182335673.db2.gz WVZFLCIWABOYCD-NSHDSACASA-N 0 3 318.833 3.833 50 0 DHAAHN C[C@@H]1CCCN(CCNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000040110337 183037159 /nfs/dbraw/zinc/03/71/59/183037159.db2.gz ZMQBFUQUPRFWIQ-QGZVFWFLSA-N 0 3 322.452 3.815 50 0 DHAAHN CCN1CCC(N(C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000057529809 184041294 /nfs/dbraw/zinc/04/12/94/184041294.db2.gz LLHLOYONHDCWJB-UHFFFAOYSA-N 0 3 311.429 3.788 50 0 DHAAHN CN(CCOc1ccc(F)cc1)C[C@H](O)c1ccccc1Cl ZINC000058562936 184122666 /nfs/dbraw/zinc/12/26/66/184122666.db2.gz NMBSOZNGKRHKAZ-KRWDZBQOSA-N 0 3 323.795 3.523 50 0 DHAAHN CC(C)(C)[C@@H](NCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000059578278 184139746 /nfs/dbraw/zinc/13/97/46/184139746.db2.gz GSOXCCXZVROLMH-FQEVSTJZSA-N 0 3 322.452 3.953 50 0 DHAAHN CCc1ccsc1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000059983828 184143500 /nfs/dbraw/zinc/14/35/00/184143500.db2.gz WHGLHZKRUATWFI-CYBMUJFWSA-N 0 3 308.491 3.551 50 0 DHAAHN Cc1ccc(C)c(CCNCC(=O)Nc2cc(C)ccc2F)c1 ZINC000065374592 184331263 /nfs/dbraw/zinc/33/12/63/184331263.db2.gz MSXLCMZNYGLENW-UHFFFAOYSA-N 0 3 314.404 3.522 50 0 DHAAHN COc1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000065553494 184365531 /nfs/dbraw/zinc/36/55/31/184365531.db2.gz OGDRVNUUYGJSEK-HNNXBMFYSA-N 0 3 324.424 3.673 50 0 DHAAHN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCO2 ZINC000065586735 184369413 /nfs/dbraw/zinc/36/94/13/184369413.db2.gz FCYSJNTXPBNHDZ-LBPRGKRZSA-N 0 3 315.335 3.605 50 0 DHAAHN CC(C)(C)n1cc(C2=CCN(CCc3ccccc3)CC2)cn1 ZINC000065507616 184356775 /nfs/dbraw/zinc/35/67/75/184356775.db2.gz WAQWPCQGXQDDDL-UHFFFAOYSA-N 0 3 309.457 3.970 50 0 DHAAHN COc1ccc(O)c(-c2ccc(OCCN3CCCC3)cc2)c1 ZINC000426388392 257252700 /nfs/dbraw/zinc/25/27/00/257252700.db2.gz KMWRWURAWKKJIV-UHFFFAOYSA-N 0 3 313.397 3.542 50 0 DHAAHN FC1(F)CC(CN2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000296752223 131984699 /nfs/dbraw/zinc/98/46/99/131984699.db2.gz KRDGLXUYWVNIMG-UHFFFAOYSA-N 0 3 303.356 3.697 50 0 DHAAHN Clc1ccc([C@@H](NC2CCOCC2)c2cccnc2)cc1 ZINC000534593343 334294916 /nfs/dbraw/zinc/29/49/16/334294916.db2.gz URSFQGVQIOGLDM-QGZVFWFLSA-N 0 3 302.805 3.593 50 0 DHAAHN c1cn(Cc2cccc(CN[C@@H]3CCCc4occc43)c2)cn1 ZINC000192653455 341882352 /nfs/dbraw/zinc/88/23/52/341882352.db2.gz WEHHZJRAVVVQHM-GOSISDBHSA-N 0 3 307.397 3.692 50 0 DHAAHN CN1CCC([C@]2(O)CCCSc3ccc(Cl)cc32)CC1 ZINC000075259682 563861615 /nfs/dbraw/zinc/86/16/15/563861615.db2.gz LETNNPBCRUBGRD-MRXNPFEDSA-N 0 3 311.878 3.755 50 0 DHAAHN COc1cc(CNCc2ccc(SC)cc2)cc(OC)c1 ZINC000000172192 563227610 /nfs/dbraw/zinc/22/76/10/563227610.db2.gz QQQBKKSIWXTIBX-UHFFFAOYSA-N 0 3 303.427 3.716 50 0 DHAAHN COc1cccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1 ZINC000000556307 563266072 /nfs/dbraw/zinc/26/60/72/563266072.db2.gz YHLLAOPUUNDWCI-UHFFFAOYSA-N 0 3 324.424 3.933 50 0 DHAAHN C[C@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000001456777 563284149 /nfs/dbraw/zinc/28/41/49/563284149.db2.gz VNTNOLGODDWLEJ-YOEHRIQHSA-N 0 3 320.864 3.677 50 0 DHAAHN C[C@H](CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000003683573 563325981 /nfs/dbraw/zinc/32/59/81/563325981.db2.gz CDARRQFNEBYXLP-QGZVFWFLSA-N 0 3 312.432 3.969 50 0 DHAAHN O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062788 563351566 /nfs/dbraw/zinc/35/15/66/563351566.db2.gz YCUVGTZSPPRPQR-UHFFFAOYSA-N 0 3 312.388 3.676 50 0 DHAAHN COc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000010338366 563355781 /nfs/dbraw/zinc/35/57/81/563355781.db2.gz HQFVFPIUQDZELY-UHFFFAOYSA-N 0 3 324.424 3.933 50 0 DHAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCc2ccccc21 ZINC000010449408 563356580 /nfs/dbraw/zinc/35/65/80/563356580.db2.gz UCPOSIKPOIFHNW-UHFFFAOYSA-N 0 3 320.436 3.875 50 0 DHAAHN Cc1cccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000012939623 563375121 /nfs/dbraw/zinc/37/51/21/563375121.db2.gz HUHGDKCLOCANDO-LJQANCHMSA-N 0 3 323.440 3.954 50 0 DHAAHN Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000012979934 563376037 /nfs/dbraw/zinc/37/60/37/563376037.db2.gz WWFIAXDMGLNXHU-LJQANCHMSA-N 0 3 323.440 3.954 50 0 DHAAHN CCn1c2ccccc2c2cc(CNCCn3ccnc3)ccc21 ZINC000032735869 563388812 /nfs/dbraw/zinc/38/88/12/563388812.db2.gz OCAVMKVWIDNDMV-UHFFFAOYSA-N 0 3 318.424 3.801 50 0 DHAAHN CCc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)sc1C ZINC000025420091 563423011 /nfs/dbraw/zinc/42/30/11/563423011.db2.gz QDOFSSPEUQCFDL-MRXNPFEDSA-N 0 3 316.470 3.652 50 0 DHAAHN CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027581892 563428622 /nfs/dbraw/zinc/42/86/22/563428622.db2.gz IFEKPPILQYZJHT-SFHVURJKSA-N 0 3 302.462 3.828 50 0 DHAAHN Cc1ccc([C@@H](CNC(=O)c2ccccc2C)N2CCCC2)cc1 ZINC000027793196 563430291 /nfs/dbraw/zinc/43/02/91/563430291.db2.gz WKQFZTLWDQLJQK-HXUWFJFHSA-N 0 3 322.452 3.870 50 0 DHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000028292017 563431566 /nfs/dbraw/zinc/43/15/66/563431566.db2.gz BOGSOCYYADMCRF-IBGZPJMESA-N 0 3 308.425 3.644 50 0 DHAAHN C[C@H](Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000022455168 563449815 /nfs/dbraw/zinc/44/98/15/563449815.db2.gz CMJFRSBXJLAIIS-QGZVFWFLSA-N 0 3 312.432 3.575 50 0 DHAAHN CC[C@H](C)N(Cc1ccc(C)o1)C[C@H](O)COc1ccccc1 ZINC000036097740 563454612 /nfs/dbraw/zinc/45/46/12/563454612.db2.gz CQJRVHSQODLXPZ-RDJZCZTQSA-N 0 3 317.429 3.628 50 0 DHAAHN COc1cccc(CC[C@H]2CCCN(Cc3c[nH]c(C)n3)C2)c1 ZINC000055054567 563470905 /nfs/dbraw/zinc/47/09/05/563470905.db2.gz BPBUTLFAKZAVMF-QGZVFWFLSA-N 0 3 313.445 3.572 50 0 DHAAHN COc1cccc(CC[C@H]2CCCN(Cc3cnc(C)[nH]3)C2)c1 ZINC000055054567 563470907 /nfs/dbraw/zinc/47/09/07/563470907.db2.gz BPBUTLFAKZAVMF-QGZVFWFLSA-N 0 3 313.445 3.572 50 0 DHAAHN CCCCc1ncc(CN(Cc2ccccn2)CC(C)C)[nH]1 ZINC000055060549 563471229 /nfs/dbraw/zinc/47/12/29/563471229.db2.gz MRYMGNNASMEVJY-UHFFFAOYSA-N 0 3 300.450 3.806 50 0 DHAAHN Fc1cc(Cl)ccc1-c1ccc(CNCCc2c[nH]cn2)o1 ZINC000055167331 563471996 /nfs/dbraw/zinc/47/19/96/563471996.db2.gz KDLOZMYIPCYDPL-UHFFFAOYSA-N 0 3 319.767 3.795 50 0 DHAAHN Clc1ccccc1C1(CNCc2ccccn2)CCOCC1 ZINC000078602423 563477182 /nfs/dbraw/zinc/47/71/82/563477182.db2.gz CGNLNGOUGJNAMI-UHFFFAOYSA-N 0 3 316.832 3.573 50 0 DHAAHN CC(C)NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067789719 563491697 /nfs/dbraw/zinc/49/16/97/563491697.db2.gz NNCKWYBCACHTEF-UHFFFAOYSA-N 0 3 310.376 3.776 50 0 DHAAHN CC(C)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 ZINC000067789719 563491701 /nfs/dbraw/zinc/49/17/01/563491701.db2.gz NNCKWYBCACHTEF-UHFFFAOYSA-N 0 3 310.376 3.776 50 0 DHAAHN C[C@@H](CCc1c[nH]c2ccccc12)NCc1cn2ccccc2n1 ZINC000067884505 563492975 /nfs/dbraw/zinc/49/29/75/563492975.db2.gz UOCURWNOQYWBKS-HNNXBMFYSA-N 0 3 318.424 3.927 50 0 DHAAHN CCN(CC)Cc1cccc(C(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000067965682 563494140 /nfs/dbraw/zinc/49/41/40/563494140.db2.gz OSDCEQINTBYKDE-UHFFFAOYSA-N 0 3 322.412 3.657 50 0 DHAAHN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 ZINC000071375570 563499147 /nfs/dbraw/zinc/49/91/47/563499147.db2.gz PJBMMEVGNHXLNB-INIZCTEOSA-N 0 3 316.489 3.591 50 0 DHAAHN Cc1cc(C)n(CCCNCc2c(Cl)cccc2Cl)n1 ZINC000098078544 563523500 /nfs/dbraw/zinc/52/35/00/563523500.db2.gz PLCUCVUQOXRLHR-UHFFFAOYSA-N 0 3 312.244 3.987 50 0 DHAAHN c1coc([C@@H](CNc2ncnc3ccccc32)N2CCCCC2)c1 ZINC000014165418 563560638 /nfs/dbraw/zinc/56/06/38/563560638.db2.gz MGADAHVNGBYYMX-QGZVFWFLSA-N 0 3 322.412 3.862 50 0 DHAAHN Cc1cc(Cl)ccc1CN1CCC(OC2CCOCC2)CC1 ZINC000136190078 563618727 /nfs/dbraw/zinc/61/87/27/563618727.db2.gz ABHYGDVQUKXNEO-UHFFFAOYSA-N 0 3 323.864 3.808 50 0 DHAAHN CN(C(=O)CN1CCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC000048324388 563695921 /nfs/dbraw/zinc/69/59/21/563695921.db2.gz RZMABAZELVXQMN-FQEVSTJZSA-N 0 3 322.452 3.747 50 0 DHAAHN Cc1cc(CN2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)on1 ZINC000215529059 563706222 /nfs/dbraw/zinc/70/62/22/563706222.db2.gz OAQNOZUOTLJFCS-AWEZNQCLSA-N 0 3 310.401 3.547 50 0 DHAAHN Cc1cc(CN2CCC[C@H](c3nc4cccc(C)c4[nH]3)C2)on1 ZINC000215529059 563706225 /nfs/dbraw/zinc/70/62/25/563706225.db2.gz OAQNOZUOTLJFCS-AWEZNQCLSA-N 0 3 310.401 3.547 50 0 DHAAHN Cc1c2cc(C)ccc2oc1C[N@@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000216146832 563708359 /nfs/dbraw/zinc/70/83/59/563708359.db2.gz NSXVJKFYEFIKHC-CQSZACIVSA-N 0 3 310.401 3.547 50 0 DHAAHN Cc1c2cc(C)ccc2oc1C[N@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000216146832 563708361 /nfs/dbraw/zinc/70/83/61/563708361.db2.gz NSXVJKFYEFIKHC-CQSZACIVSA-N 0 3 310.401 3.547 50 0 DHAAHN O[C@]12CCCC[C@H]1CN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000097528002 563775213 /nfs/dbraw/zinc/77/52/13/563775213.db2.gz QMLUMZVJISHTKV-HOTGVXAUSA-N 0 3 313.363 3.832 50 0 DHAAHN C[C@@H](SCCN(C)C)c1nnc(-c2cccc(F)c2)s1 ZINC000241644280 563777227 /nfs/dbraw/zinc/77/72/27/563777227.db2.gz PPRFYQMFMPYVFU-SNVBAGLBSA-N 0 3 311.451 3.700 50 0 DHAAHN C[C@@H](CCc1ccccc1)NCc1nn(C)nc1-c1ccccc1 ZINC000248199721 563782778 /nfs/dbraw/zinc/78/27/78/563782778.db2.gz UOURFKGBHOLYSC-INIZCTEOSA-N 0 3 320.440 3.593 50 0 DHAAHN CCN(CC)CCOC(=O)[C@H](c1cccs1)[C@@H]1C=CCC1 ZINC000002039596 563798565 /nfs/dbraw/zinc/79/85/65/563798565.db2.gz PAQHBGYZMGCRMG-ZBFHGGJFSA-N 0 3 307.459 3.683 50 0 DHAAHN Cc1ccccc1[C@@](O)(Cc1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000001259764 563809721 /nfs/dbraw/zinc/80/97/21/563809721.db2.gz FPDWKSDUHWWBCL-YADHBBJMSA-N 0 3 321.464 3.767 50 0 DHAAHN Cc1ccc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)o1 ZINC000075107974 563859760 /nfs/dbraw/zinc/85/97/60/563859760.db2.gz DFFOHYOVJIJKSU-HUUCEWRRSA-N 0 3 308.422 3.514 50 0 DHAAHN CO[C@H](CN[C@@H](C)c1cnc(C)nc1C)c1ccccc1Cl ZINC000090453404 563870540 /nfs/dbraw/zinc/87/05/40/563870540.db2.gz JRVXACUDALASGE-APPDUMDISA-N 0 3 319.836 3.785 50 0 DHAAHN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000229720436 563871129 /nfs/dbraw/zinc/87/11/29/563871129.db2.gz DFRMMUMHXXUGPK-SQGPQFPESA-N 0 3 322.452 3.742 50 0 DHAAHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)c1 ZINC000090845076 563876715 /nfs/dbraw/zinc/87/67/15/563876715.db2.gz QMCFYAZVLOMJEV-KSMMKXTCSA-N 0 3 324.424 3.860 50 0 DHAAHN Cc1ccc(CN(CCC(C)C)C[C@@H](O)COC(C)(C)C)o1 ZINC000036098064 563893033 /nfs/dbraw/zinc/89/30/33/563893033.db2.gz SJVONTPZIMZUNE-MRXNPFEDSA-N 0 3 311.466 3.612 50 0 DHAAHN CCCN(Cc1ccco1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096517 563893966 /nfs/dbraw/zinc/89/39/66/563893966.db2.gz BTTQTPLLTKJMIP-HNNXBMFYSA-N 0 3 323.820 3.585 50 0 DHAAHN C[C@@H](NC(=O)CN1CCCC[C@@H]1C)c1cccc2ccccc21 ZINC000036422070 563899223 /nfs/dbraw/zinc/89/92/23/563899223.db2.gz JPHNFGDUMGHUFQ-JKSUJKDBSA-N 0 3 310.441 3.891 50 0 DHAAHN O[C@@H](CN[C@H]1CCCNc2ccccc21)c1ccc(Cl)s1 ZINC000192914179 563901249 /nfs/dbraw/zinc/90/12/49/563901249.db2.gz ZHCBFOCLKKRBRN-KBPBESRZSA-N 0 3 322.861 3.972 50 0 DHAAHN C[C@H](N[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1F ZINC000170084551 563903640 /nfs/dbraw/zinc/90/36/40/563903640.db2.gz LWMHWEMSCWUKSY-CUOATXAZSA-N 0 3 316.214 3.542 50 0 DHAAHN c1coc(-c2nnc(CN[C@H]3CCC[C@H]3Cc3ccccc3)o2)c1 ZINC000170612367 563908073 /nfs/dbraw/zinc/90/80/73/563908073.db2.gz IEEZYUITRLTGHI-HOTGVXAUSA-N 0 3 323.396 3.831 50 0 DHAAHN CC(C)C[C@H](NCCc1cn2ccccc2n1)c1ccccn1 ZINC000089821044 563911571 /nfs/dbraw/zinc/91/15/71/563911571.db2.gz FLQIYKYCGCIGPD-SFHVURJKSA-N 0 3 308.429 3.649 50 0 DHAAHN CC[C@H](NCCNC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000076092540 563912359 /nfs/dbraw/zinc/91/23/59/563912359.db2.gz BGTDRYAJDUGXOL-KRWDZBQOSA-N 0 3 316.832 3.811 50 0 DHAAHN C[C@@H](c1cccc(Br)c1)N1CCN2CCCC[C@H]2C1 ZINC000242242345 563914080 /nfs/dbraw/zinc/91/40/80/563914080.db2.gz XUBABOMOGAUIIY-BBRMVZONSA-N 0 3 323.278 3.680 50 0 DHAAHN C[C@@H](c1cccnc1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000253425647 563925158 /nfs/dbraw/zinc/92/51/58/563925158.db2.gz BDBWOJFVZQKCPM-INIZCTEOSA-N 0 3 318.424 3.513 50 0 DHAAHN CC[C@H](NC1CCN(c2ccccc2F)CC1)c1nc(C)c[nH]1 ZINC000584889360 563925445 /nfs/dbraw/zinc/92/54/45/563925445.db2.gz JKLDNYWGACNIIU-INIZCTEOSA-N 0 3 316.424 3.567 50 0 DHAAHN Cc1ccc(CN[C@@H](C)c2cnn(-c3ccccn3)c2C)s1 ZINC000095420458 563931407 /nfs/dbraw/zinc/93/14/07/563931407.db2.gz BUMMUXAGCREJGP-ZDUSSCGKSA-N 0 3 312.442 3.796 50 0 DHAAHN CCC1(CO)CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000095978946 563933581 /nfs/dbraw/zinc/93/35/81/563933581.db2.gz PWOGWUNVHJTDAO-UHFFFAOYSA-N 0 3 317.473 3.799 50 0 DHAAHN CSc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000097037152 563937662 /nfs/dbraw/zinc/93/76/62/563937662.db2.gz FMRNZBCYSIZSBU-UHFFFAOYSA-N 0 3 313.470 3.880 50 0 DHAAHN Cn1cc(CN[C@@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000097159738 563937866 /nfs/dbraw/zinc/93/78/66/563937866.db2.gz JGHYNKOZUADUHI-LJQANCHMSA-N 0 3 318.424 3.649 50 0 DHAAHN O[C@H](CN1CCC(c2nc3ccccc3o2)CC1)c1ccccc1 ZINC000002616060 563939415 /nfs/dbraw/zinc/93/94/15/563939415.db2.gz GVAKHDZICRSYMD-GOSISDBHSA-N 0 3 322.408 3.741 50 0 DHAAHN CC1=C(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]cn3)C2)C(C)(C)CCC1 ZINC000670440563 563943981 /nfs/dbraw/zinc/94/39/81/563943981.db2.gz UIUFPOLXGNKJIA-OAHLLOKOSA-N 0 3 315.461 3.888 50 0 DHAAHN CC1=C(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]cn3)C2)C(C)(C)CCC1 ZINC000670440563 563943982 /nfs/dbraw/zinc/94/39/82/563943982.db2.gz UIUFPOLXGNKJIA-OAHLLOKOSA-N 0 3 315.461 3.888 50 0 DHAAHN CN(C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000010328208 563958541 /nfs/dbraw/zinc/95/85/41/563958541.db2.gz VBJZIFQVVPNNAX-HXUWFJFHSA-N 0 3 318.420 3.873 50 0 DHAAHN C[C@H](N[C@@H]1CCCC[C@H]1OCc1ccccc1)c1cnccn1 ZINC000252486279 568413675 /nfs/dbraw/zinc/41/36/75/568413675.db2.gz HPDNWOPSOCAKNI-KVSKMBFKSA-N 0 3 311.429 3.655 50 0 DHAAHN Cc1cc(NC(=O)CCN(C)[C@@H](C)c2cccc(Cl)c2)no1 ZINC000051425890 568415913 /nfs/dbraw/zinc/41/59/13/568415913.db2.gz DQFQTHGKCJDFBR-LBPRGKRZSA-N 0 3 321.808 3.658 50 0 DHAAHN COc1cccc([C@H](O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000000406097 568421651 /nfs/dbraw/zinc/42/16/51/568421651.db2.gz OWPDNPXNAVGVSB-HXUWFJFHSA-N 0 3 311.425 3.641 50 0 DHAAHN CCN1CCC[C@H]1C(=O)N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000952977829 1032678563 /nfs/dbraw/zinc/67/85/63/1032678563.db2.gz WASJZFXVWVQUSK-FQEVSTJZSA-N 0 3 322.452 3.796 50 0 DHAAHN c1ccc(N[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000011938308 1019584089 /nfs/dbraw/zinc/58/40/89/1019584089.db2.gz GJXJVOSDBNDJTB-GOSISDBHSA-N 0 3 324.424 3.534 50 0 DHAAHN CC(C)c1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)s1 ZINC000186217866 1020017262 /nfs/dbraw/zinc/01/72/62/1020017262.db2.gz IMRJWXQCKPPGIN-HNNXBMFYSA-N 0 3 320.502 3.962 50 0 DHAAHN C[C@H](N[C@H](CO)c1ccsc1)c1cc2ccncc2s1 ZINC000657975676 1020056865 /nfs/dbraw/zinc/05/68/65/1020056865.db2.gz CZQYBXZHRWQWNL-GXFFZTMASA-N 0 3 304.440 3.742 50 0 DHAAHN CN1CCCCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2)cc1 ZINC000823778621 1020445445 /nfs/dbraw/zinc/44/54/45/1020445445.db2.gz FWDYUMFQJYLCCK-HXUWFJFHSA-N 0 3 322.452 3.844 50 0 DHAAHN CCCn1c(C)cnc1[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000581816493 1021853769 /nfs/dbraw/zinc/85/37/69/1021853769.db2.gz XMGIHBANNRJORI-HNNXBMFYSA-N 0 3 319.399 3.869 50 0 DHAAHN Cc1nc(CCC2CCN(Cc3ccccc3Cl)CC2)no1 ZINC000675018954 1022750198 /nfs/dbraw/zinc/75/01/98/1022750198.db2.gz HEYNGVZSHKEFEJ-UHFFFAOYSA-N 0 3 319.836 3.876 50 0 DHAAHN CN(Cc1csc2ccccc12)Cc1ccc(C(N)=O)cc1 ZINC000046089688 1023663686 /nfs/dbraw/zinc/66/36/86/1023663686.db2.gz XFNKZRXDKYDIDC-UHFFFAOYSA-N 0 3 310.422 3.632 50 0 DHAAHN CCOc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000215988756 1024528671 /nfs/dbraw/zinc/52/86/71/1024528671.db2.gz KUPXBTFAPOLVDV-INIZCTEOSA-N 0 3 300.377 3.609 50 0 DHAAHN COc1ccc([C@H]2C[C@H](NCc3cnc(C4CC4)o3)C2)cc1F ZINC000888100608 1024705776 /nfs/dbraw/zinc/70/57/76/1024705776.db2.gz SFZSYSVMWPNOQB-HDJSIYSDSA-N 0 3 316.376 3.736 50 0 DHAAHN CC(C)c1noc(CCN[C@H](C)c2ccc(F)cc2Cl)n1 ZINC000089577987 1037160207 /nfs/dbraw/zinc/16/02/07/1037160207.db2.gz YZYRNKDUFYNZQX-SNVBAGLBSA-N 0 3 311.788 3.879 50 0 DHAAHN CCOc1ccc([C@H]2CCCN2CCCc2nc(C)no2)cc1 ZINC000078970884 185137497 /nfs/dbraw/zinc/13/74/97/185137497.db2.gz ZNSLKXJNDDOBIY-QGZVFWFLSA-N 0 3 315.417 3.546 50 0 DHAAHN Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)c(CN(C)C)c1 ZINC000079305598 185164061 /nfs/dbraw/zinc/16/40/61/185164061.db2.gz GKCHNNLMWWBJEW-UHFFFAOYSA-N 0 3 307.397 3.790 50 0 DHAAHN Fc1cccc(CN[C@H](CN2CCCC2)c2ccccc2)c1F ZINC000095393943 185352114 /nfs/dbraw/zinc/35/21/14/185352114.db2.gz YKDOEWJJJWBHKR-GOSISDBHSA-N 0 3 316.395 3.892 50 0 DHAAHN O[C@@H](C[C@@H]1CCCCCN1Cc1cccnc1)c1ccco1 ZINC000095413240 185358119 /nfs/dbraw/zinc/35/81/19/185358119.db2.gz XCEGMYDVNHNARH-IRXDYDNUSA-N 0 3 300.402 3.543 50 0 DHAAHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(-n3cncn3)cc1)CC2 ZINC000095419441 185359883 /nfs/dbraw/zinc/35/98/83/185359883.db2.gz FTSVKBAMOFXCJD-MGPUTAFESA-N 0 3 318.424 3.914 50 0 DHAAHN CNCc1cccc(NC(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000095427851 185362003 /nfs/dbraw/zinc/36/20/03/185362003.db2.gz VSPLIBPJLAFCNM-UHFFFAOYSA-N 0 3 322.330 3.606 50 0 DHAAHN CCOc1ccc([C@@H](C)NCc2ccnc(-n3ccnc3)c2)cc1 ZINC000095421125 185360505 /nfs/dbraw/zinc/36/05/05/185360505.db2.gz GGMHKWVBXRNJLY-OAHLLOKOSA-N 0 3 322.412 3.517 50 0 DHAAHN C[C@H](C1CC1)n1nccc1NC1CCN(Cc2ccccc2)CC1 ZINC000097009608 185396733 /nfs/dbraw/zinc/39/67/33/185396733.db2.gz DVDAWGCQDBQDTD-MRXNPFEDSA-N 0 3 324.472 3.931 50 0 DHAAHN O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCCc3sccc32)C1 ZINC000095423914 185361226 /nfs/dbraw/zinc/36/12/26/185361226.db2.gz KPNPBGLPBDAABH-GOEBONIOSA-N 0 3 318.486 3.506 50 0 DHAAHN Cc1cc(CN2CCCN(Cc3cccs3)CC2)oc1C ZINC000072132974 191044728 /nfs/dbraw/zinc/04/47/28/191044728.db2.gz ZUKUYVMNRIXQAK-UHFFFAOYSA-N 0 3 304.459 3.666 50 0 DHAAHN Fc1ccc(OC[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000072141928 191048842 /nfs/dbraw/zinc/04/88/42/191048842.db2.gz IUNZVMXHDUWCKU-INIZCTEOSA-N 0 3 300.377 3.512 50 0 DHAAHN CCN(CC)CCSc1nc(C)nc2sc3c(c21)CCC3 ZINC000072301760 191115008 /nfs/dbraw/zinc/11/50/08/191115008.db2.gz YGYLRILGWQCPBC-UHFFFAOYSA-N 0 3 321.515 3.922 50 0 DHAAHN Cc1cccc(CN[C@H]2CSC[C@@H]2C)c1Br ZINC000253393514 186303754 /nfs/dbraw/zinc/30/37/54/186303754.db2.gz DYSKIDLOLXLQAJ-JQWIXIFHSA-N 0 3 300.265 3.599 50 0 DHAAHN O[C@H](CCc1ccccc1)C1CCN(Cc2ccsc2)CC1 ZINC000072468335 191175647 /nfs/dbraw/zinc/17/56/47/191175647.db2.gz JDWANCVGTUEVNJ-LJQANCHMSA-N 0 3 315.482 3.954 50 0 DHAAHN CC(C)[C@@]12CC[C@@](C)(O1)[C@H](Oc1cccc(Cl)c1CN)C2 ZINC000004110221 181074853 /nfs/dbraw/zinc/07/48/53/181074853.db2.gz XDWGFIVVEJQCFN-ZACQAIPSSA-N 0 3 309.837 3.914 50 0 DHAAHN CCCCOc1cc(Br)c(CNCC)cc1OC ZINC000004670853 181134695 /nfs/dbraw/zinc/13/46/95/181134695.db2.gz QQNRSKBNEPSOKN-UHFFFAOYSA-N 0 3 316.239 3.746 50 0 DHAAHN CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=N)o1 ZINC000004709658 181140445 /nfs/dbraw/zinc/14/04/45/181140445.db2.gz VHVBZMYQNGVFQN-UHFFFAOYSA-N 0 3 317.414 3.714 50 0 DHAAHN CCOc1c(Cl)cc(Cl)cc1CNC[C@H]1CCCO1 ZINC000005019781 181191599 /nfs/dbraw/zinc/19/15/99/181191599.db2.gz XVGXLEKSUXPQER-GFCCVEGCSA-N 0 3 304.217 3.661 50 0 DHAAHN O[C@]12CCCC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)NCC2 ZINC000005030752 181193800 /nfs/dbraw/zinc/19/38/00/181193800.db2.gz ACIPGBAJNWOPTK-CQDKDKBSSA-N 0 3 300.229 3.949 50 0 DHAAHN O[C@]12CCCC[C@@H]1[C@H](c1cccc(Cl)c1Cl)NCC2 ZINC000006658428 181366411 /nfs/dbraw/zinc/36/64/11/181366411.db2.gz VIWGFBVZEDAVEE-UGFHNGPFSA-N 0 3 300.229 3.949 50 0 DHAAHN Cc1nc([C@@H](C)N(C)C(=O)CN2CCCCCCC2)c(C)s1 ZINC000091873351 193121101 /nfs/dbraw/zinc/12/11/01/193121101.db2.gz MACBEUGRVNMNOG-CYBMUJFWSA-N 0 3 323.506 3.545 50 0 DHAAHN CCn1c2ccccc2nc1CN[C@@H]1CCc2ccccc2C1 ZINC000008165439 181532020 /nfs/dbraw/zinc/53/20/20/181532020.db2.gz JYTRMNXYAZKBIN-QGZVFWFLSA-N 0 3 305.425 3.703 50 0 DHAAHN CC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016445027 182045194 /nfs/dbraw/zinc/04/51/94/182045194.db2.gz URMKPZLFZGJRDW-CQSZACIVSA-N 0 3 301.386 3.572 50 0 DHAAHN CC[C@@H]1CCCC[N@H+]1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000016445027 182045195 /nfs/dbraw/zinc/04/51/95/182045195.db2.gz URMKPZLFZGJRDW-CQSZACIVSA-N 0 3 301.386 3.572 50 0 DHAAHN Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1C ZINC000016604214 182052522 /nfs/dbraw/zinc/05/25/22/182052522.db2.gz BWVHDQURWSPAJW-UHFFFAOYSA-N 0 3 322.452 3.698 50 0 DHAAHN Cc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000016606859 182053178 /nfs/dbraw/zinc/05/31/78/182053178.db2.gz KKIFSLIULRKCGM-UHFFFAOYSA-N 0 3 308.425 3.846 50 0 DHAAHN CCc1ccc([C@@H](CNC(=O)Nc2ccccc2)N(C)C)cc1 ZINC000018180263 182097090 /nfs/dbraw/zinc/09/70/90/182097090.db2.gz VWYIHAWWBCPLPP-GOSISDBHSA-N 0 3 311.429 3.673 50 0 DHAAHN COc1ccc(CCNCc2ccccc2Br)cc1 ZINC000019554719 182129198 /nfs/dbraw/zinc/12/91/98/182129198.db2.gz FVXLXLDZFXFCQP-UHFFFAOYSA-N 0 3 320.230 3.790 50 0 DHAAHN COc1cccc(CNCCc2cccc(Cl)c2)c1OC ZINC000019642963 182134375 /nfs/dbraw/zinc/13/43/75/182134375.db2.gz BZEWYTAZWAZJJA-UHFFFAOYSA-N 0 3 305.805 3.690 50 0 DHAAHN CCOc1ccccc1CN1CCC[C@H](c2n[nH]cc2CC)C1 ZINC000019744991 182141902 /nfs/dbraw/zinc/14/19/02/182141902.db2.gz LWASBAYXMLHKKB-KRWDZBQOSA-N 0 3 313.445 3.750 50 0 DHAAHN CN1CCN([C@@H]2Cc3ccccc3Sc3ccccc32)CC1 ZINC000019801865 182151521 /nfs/dbraw/zinc/15/15/21/182151521.db2.gz MYFNXITXHNLSJY-QGZVFWFLSA-N 0 3 310.466 3.682 50 0 DHAAHN CCN1CCN(CCCOc2cc(C)ccc2C(C)C)CC1 ZINC000020322711 182206718 /nfs/dbraw/zinc/20/67/18/182206718.db2.gz ZMBRKJBFLYRRKY-UHFFFAOYSA-N 0 3 304.478 3.525 50 0 DHAAHN FC(F)(F)c1ccccc1CNC[C@@H]1NCCc2ccccc21 ZINC000020528361 182227077 /nfs/dbraw/zinc/22/70/77/182227077.db2.gz WVAZFWKUGWRAPQ-KRWDZBQOSA-N 0 3 320.358 3.682 50 0 DHAAHN CC(C)Oc1ccc([C@H](CCN2CCN(C)CC2)C(C)C)cc1 ZINC000020589784 182235881 /nfs/dbraw/zinc/23/58/81/182235881.db2.gz VQJJGCNIZPNNAP-HXUWFJFHSA-N 0 3 318.505 3.851 50 0 DHAAHN CC(=O)Nc1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000030662019 182595165 /nfs/dbraw/zinc/59/51/65/182595165.db2.gz INLZZKNSPOOZFG-LSDHHAIUSA-N 0 3 314.351 3.856 50 0 DHAAHN Cn1ncc2c1CCC[C@H]2NCc1cccc(C(F)(F)F)c1 ZINC000042229415 183244389 /nfs/dbraw/zinc/24/43/89/183244389.db2.gz WZVMSSLVZWQECD-CQSZACIVSA-N 0 3 309.335 3.606 50 0 DHAAHN CCOC(=O)CCCN1CCC[C@H]1c1ccc(OCC)cc1 ZINC000057626559 184042752 /nfs/dbraw/zinc/04/27/52/184042752.db2.gz MXKMBOKOUCGVTP-KRWDZBQOSA-N 0 3 305.418 3.566 50 0 DHAAHN CC(C)(C)[C@H](NCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000059578275 184139551 /nfs/dbraw/zinc/13/95/51/184139551.db2.gz GSOXCCXZVROLMH-HXUWFJFHSA-N 0 3 322.452 3.953 50 0 DHAAHN Cc1ccccc1[C@]1(O)CCN(Cc2ccc3ccccc3n2)C1 ZINC000065387468 184334156 /nfs/dbraw/zinc/33/41/56/184334156.db2.gz RVGUHUCBUQHVNJ-NRFANRHFSA-N 0 3 318.420 3.637 50 0 DHAAHN CCOc1ccccc1OCCN1CCC[C@@H]1c1ccccn1 ZINC000065376304 184331422 /nfs/dbraw/zinc/33/14/22/184331422.db2.gz HMWJZFKYRZZPFZ-QGZVFWFLSA-N 0 3 312.413 3.696 50 0 DHAAHN COc1ccc(-c2nc[nH]c2-c2ccccc2)cc1CN(C)C ZINC000065381240 184331963 /nfs/dbraw/zinc/33/19/63/184331963.db2.gz OUYJTOBYLUUNOD-UHFFFAOYSA-N 0 3 307.397 3.814 50 0 DHAAHN COc1ccc(-c2[nH]cnc2-c2ccccc2)cc1CN(C)C ZINC000065381240 184331964 /nfs/dbraw/zinc/33/19/64/184331964.db2.gz OUYJTOBYLUUNOD-UHFFFAOYSA-N 0 3 307.397 3.814 50 0 DHAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2cc(-c3ccccc3)no2)c1 ZINC000069520680 184522354 /nfs/dbraw/zinc/52/23/54/184522354.db2.gz DDRSUZLRZIGMMB-HUUCEWRRSA-N 0 3 310.401 3.586 50 0 DHAAHN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1Cl)[C@H]1CCOC1 ZINC000521394536 257241220 /nfs/dbraw/zinc/24/12/20/257241220.db2.gz PJRCCRQYDWQHAA-UTLUCORTSA-N 0 3 322.758 3.829 50 0 DHAAHN CCOc1ncccc1-c1ccc(OCCN2CCCC2)cc1 ZINC000426685448 257244587 /nfs/dbraw/zinc/24/45/87/257244587.db2.gz ULWJMWNZESFVJG-UHFFFAOYSA-N 0 3 312.413 3.622 50 0 DHAAHN CC[C@@H](NCc1cc(-c2ccccc2)on1)C1CCOCC1 ZINC000408513193 257256016 /nfs/dbraw/zinc/25/60/16/257256016.db2.gz PSMOGYQKEINAEQ-QGZVFWFLSA-N 0 3 300.402 3.636 50 0 DHAAHN c1csc(COc2ccc(CNC[C@H]3CCCO3)cc2)c1 ZINC000016430653 257268610 /nfs/dbraw/zinc/26/86/10/257268610.db2.gz FXCLMISDXDCPOL-MRXNPFEDSA-N 0 3 303.427 3.596 50 0 DHAAHN C[C@@H](NCc1ccccc1N1CCOCC1)c1ccc(F)cc1 ZINC000066970180 134832442 /nfs/dbraw/zinc/83/24/42/134832442.db2.gz HUYLHTWBGCRVCO-OAHLLOKOSA-N 0 3 314.404 3.513 50 0 DHAAHN O[C@@H](COCc1cccs1)CN1CCC[C@H]1c1ccsc1 ZINC000247735633 563538139 /nfs/dbraw/zinc/53/81/39/563538139.db2.gz KQJHYRJEUXJJMC-ZBFHGGJFSA-N 0 3 323.483 3.524 50 0 DHAAHN Cc1ccc([C@@H](C)NCCc2nccn2Cc2ccccc2)o1 ZINC000095420012 332170145 /nfs/dbraw/zinc/17/01/45/332170145.db2.gz WWJRVQASSAKUIC-MRXNPFEDSA-N 0 3 309.413 3.726 50 0 DHAAHN CC(=O)NC(C)(C)C[C@@H](C)NC1(c2ccccc2Cl)CC1 ZINC000534574476 334287498 /nfs/dbraw/zinc/28/74/98/334287498.db2.gz WHGIMXVKOAHTCN-GFCCVEGCSA-N 0 3 308.853 3.612 50 0 DHAAHN Cc1cc(-c2nnc(CN(C)[C@H]3CCCC[C@@H]3C)o2)c(C)o1 ZINC000097103347 337382353 /nfs/dbraw/zinc/38/23/53/337382353.db2.gz NPLHIJKKNIZWBC-NHYWBVRUSA-N 0 3 303.406 3.957 50 0 DHAAHN C[C@@H](NCc1ccsc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925556 518178300 /nfs/dbraw/zinc/17/83/00/518178300.db2.gz BCRJUUNOJFQCPO-GFCCVEGCSA-N 0 3 300.427 3.947 50 0 DHAAHN CCC(=O)N[C@@H]1CCCN([C@H](C)CCSc2ccccc2)C1 ZINC000107363546 563683306 /nfs/dbraw/zinc/68/33/06/563683306.db2.gz DLGNDWTWKHHPGJ-HZPDHXFCSA-N 0 3 320.502 3.548 50 0 DHAAHN C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)s1 ZINC000037020896 563457940 /nfs/dbraw/zinc/45/79/40/563457940.db2.gz BHJSUOSPYWNLPB-ZYHUDNBSSA-N 0 3 308.834 3.669 50 0 DHAAHN O=C(c1cccc2ccccc21)N1CCN(C2CCCCC2)CC1 ZINC000000355314 563243778 /nfs/dbraw/zinc/24/37/78/563243778.db2.gz NYUWWJZZBJQJNA-UHFFFAOYSA-N 0 3 322.452 3.930 50 0 DHAAHN C[C@H](CN1CCCC1)OC(=O)c1ccc(Cl)cc1Cl ZINC000000383062 563248395 /nfs/dbraw/zinc/24/83/95/563248395.db2.gz IILDXKCGGVSCJN-SNVBAGLBSA-N 0 3 302.201 3.635 50 0 DHAAHN Cc1cc(OCCOCCN2CCCCC2)cc(C)c1Cl ZINC000002896206 563317378 /nfs/dbraw/zinc/31/73/78/563317378.db2.gz IDEXVKFORPKFIQ-UHFFFAOYSA-N 0 3 311.853 3.838 50 0 DHAAHN CCCCOc1ccccc1NC(=O)OC[C@H]1CCCCN1C ZINC000003130186 563322562 /nfs/dbraw/zinc/32/25/62/563322562.db2.gz JHFFPLHBCMXGSF-OAHLLOKOSA-N 0 3 320.433 3.898 50 0 DHAAHN CCN(Cc1c[nH]nc1-c1ccc(C)c(C)c1)C[C@H]1CCCO1 ZINC000011819800 563360251 /nfs/dbraw/zinc/36/02/51/563360251.db2.gz UUBIODINCSCANT-GOSISDBHSA-N 0 3 313.445 3.694 50 0 DHAAHN COc1ccc(CC[C@@H]2CCCN(Cc3[nH]cnc3C)C2)cc1 ZINC000012198008 563363920 /nfs/dbraw/zinc/36/39/20/563363920.db2.gz KOHAIZVKOFCOSE-KRWDZBQOSA-N 0 3 313.445 3.572 50 0 DHAAHN CN(C)[C@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000032755355 563391463 /nfs/dbraw/zinc/39/14/63/563391463.db2.gz GSFSTPBMDAZBRL-VQTJNVASSA-N 0 3 322.452 3.526 50 0 DHAAHN COC(=O)c1ccc(CN(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000015261611 563408242 /nfs/dbraw/zinc/40/82/42/563408242.db2.gz FBZFVQZLSYXZMR-LJQANCHMSA-N 0 3 309.409 3.983 50 0 DHAAHN CCC(=O)c1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489089 563412330 /nfs/dbraw/zinc/41/23/30/563412330.db2.gz XMWUZASLQCBKFX-IYBDPMFKSA-N 0 3 319.445 3.548 50 0 DHAAHN CCOc1ccc(CNC[C@H](O)c2ccccc2)cc1Cl ZINC000020177134 563417101 /nfs/dbraw/zinc/41/71/01/563417101.db2.gz NPDWDTUSCZVFMZ-INIZCTEOSA-N 0 3 305.805 3.562 50 0 DHAAHN CC1CCN([C@H](CNC(=O)C2CCCC2)c2cccs2)CC1 ZINC000027573600 563428143 /nfs/dbraw/zinc/42/81/43/563428143.db2.gz SKXAWUPZHRAEFD-MRXNPFEDSA-N 0 3 320.502 3.828 50 0 DHAAHN CCN(CC)[C@@H](CNCc1cc(F)cc(F)c1)c1ccco1 ZINC000032553508 563442848 /nfs/dbraw/zinc/44/28/48/563442848.db2.gz YMKSNRWUBIMEHM-INIZCTEOSA-N 0 3 308.372 3.731 50 0 DHAAHN C[C@H](CNCc1cccc(Cl)c1Cl)Oc1ccccn1 ZINC000035287334 563452511 /nfs/dbraw/zinc/45/25/11/563452511.db2.gz QLIXCNJLFQTWCT-LLVKDONJSA-N 0 3 311.212 3.946 50 0 DHAAHN C[C@@H](CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1 ZINC000035287329 563452572 /nfs/dbraw/zinc/45/25/72/563452572.db2.gz GDOPUQCTURWFRZ-NSHDSACASA-N 0 3 311.212 3.946 50 0 DHAAHN Cc1nc(CN2CCC[C@@H](CCc3ccc(F)cc3F)C2)c[nH]1 ZINC000055109199 563472013 /nfs/dbraw/zinc/47/20/13/563472013.db2.gz CVWDHFNUGNRUIF-AWEZNQCLSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1ncc(CN2CCC[C@@H](CCc3ccc(F)cc3F)C2)[nH]1 ZINC000055109199 563472015 /nfs/dbraw/zinc/47/20/15/563472015.db2.gz CVWDHFNUGNRUIF-AWEZNQCLSA-N 0 3 319.399 3.841 50 0 DHAAHN CC[C@@H](CO)N(Cc1ccsc1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000055308945 563474010 /nfs/dbraw/zinc/47/40/10/563474010.db2.gz OTXDBBTWMXGSOW-HNNXBMFYSA-N 0 3 321.490 3.542 50 0 DHAAHN CC(C)C[C@@H](NC[C@@](C)(O)c1cccs1)c1ccccn1 ZINC000095422978 563477212 /nfs/dbraw/zinc/47/72/12/563477212.db2.gz PWHSZVALJYDNOB-NVXWUHKLSA-N 0 3 304.459 3.728 50 0 DHAAHN Cc1nc(C)c(CN[C@@H](C)C[C@@H](O)c2ccc(F)cc2)s1 ZINC000096486375 563485296 /nfs/dbraw/zinc/48/52/96/563485296.db2.gz ZATPWJOVCLIQBD-ZUZCIYMTSA-N 0 3 308.422 3.501 50 0 DHAAHN CCN(Cc1cnc(C2CCCCC2)nc1)CC1CCOCC1 ZINC000067540943 563488063 /nfs/dbraw/zinc/48/80/63/563488063.db2.gz RGHSHRGITUVMKZ-UHFFFAOYSA-N 0 3 317.477 3.773 50 0 DHAAHN CC(=O)Oc1c(C)cc(CN(C)[C@H](C)c2ccncc2)cc1C ZINC000067771008 563490477 /nfs/dbraw/zinc/49/04/77/563490477.db2.gz KQINZVLBTPNRDK-OAHLLOKOSA-N 0 3 312.413 3.817 50 0 DHAAHN CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(C)cc1C ZINC000071385463 563499004 /nfs/dbraw/zinc/49/90/04/563499004.db2.gz JJHKAKGWSYMJAV-SFHVURJKSA-N 0 3 302.462 3.603 50 0 DHAAHN Fc1ccc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000072408623 563503295 /nfs/dbraw/zinc/50/32/95/563503295.db2.gz KJVZXSNCRUPDHD-OAQYLSRUSA-N 0 3 324.443 3.501 50 0 DHAAHN COc1ccccc1-c1nnc(CN[C@H]2CCCCC2(C)C)o1 ZINC000097099910 563506014 /nfs/dbraw/zinc/50/60/14/563506014.db2.gz MLPHRDIDRQXACK-HNNXBMFYSA-N 0 3 315.417 3.804 50 0 DHAAHN CC(C)(O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000097757868 563542692 /nfs/dbraw/zinc/54/26/92/563542692.db2.gz BUTXOXVVIDDAJH-ZDUSSCGKSA-N 0 3 319.342 3.827 50 0 DHAAHN Cc1nccn1CCCN(C)Cc1ccccc1C(F)(F)F ZINC000124825309 563601116 /nfs/dbraw/zinc/60/11/16/563601116.db2.gz DHRUOJQYDIZVPO-UHFFFAOYSA-N 0 3 311.351 3.732 50 0 DHAAHN O=C(c1ccoc1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000069414583 563615778 /nfs/dbraw/zinc/61/57/78/563615778.db2.gz YTUUAGUYVVANQS-OALUTQOASA-N 0 3 324.424 3.549 50 0 DHAAHN OCCN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC000000278249 563629159 /nfs/dbraw/zinc/62/91/59/563629159.db2.gz GWUZQIJVTPWLKW-UHFFFAOYSA-N 0 3 309.331 3.700 50 0 DHAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000005747516 563675993 /nfs/dbraw/zinc/67/59/93/563675993.db2.gz AVCYXRKRGKMSCJ-HKUYNNGSSA-N 0 3 324.399 3.582 50 0 DHAAHN C[C@@H](NC(=O)CN1CCCC[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000105934253 563677519 /nfs/dbraw/zinc/67/75/19/563677519.db2.gz GJZFCXFLSIUPBM-HZPDHXFCSA-N 0 3 314.473 3.617 50 0 DHAAHN CCN1CCC[C@H]1CNC(=O)c1oc2c(cccc2Cl)c1C ZINC000044571138 563684439 /nfs/dbraw/zinc/68/44/39/563684439.db2.gz XXLDMNFKSSJKEB-LBPRGKRZSA-N 0 3 320.820 3.609 50 0 DHAAHN COc1cccc(-c2n[nH]cc2CNCc2ccc(C)s2)c1 ZINC000044973839 563687581 /nfs/dbraw/zinc/68/75/81/563687581.db2.gz HWDASWDMHXFJAK-UHFFFAOYSA-N 0 3 313.426 3.745 50 0 DHAAHN CCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000047827922 563692514 /nfs/dbraw/zinc/69/25/14/563692514.db2.gz LHQXAAFSTVMNEA-CQSZACIVSA-N 0 3 324.424 3.821 50 0 DHAAHN CCN(C(=O)CN1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000048286886 563695003 /nfs/dbraw/zinc/69/50/03/563695003.db2.gz SMSPZZLTZYZTNL-FQEVSTJZSA-N 0 3 322.452 3.747 50 0 DHAAHN Cc1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2ccccc2C)cc1 ZINC000048374094 563698224 /nfs/dbraw/zinc/69/82/24/563698224.db2.gz HKEXSRJQMGAAOF-DLBZAZTESA-N 0 3 310.441 3.659 50 0 DHAAHN Cc1c2cc(C)ccc2oc1CN(C)[C@@H](C)Cc1cnccn1 ZINC000215340602 563705247 /nfs/dbraw/zinc/70/52/47/563705247.db2.gz BOORDPFJEMMNMU-AWEZNQCLSA-N 0 3 309.413 3.903 50 0 DHAAHN COc1ccc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000025356082 563726599 /nfs/dbraw/zinc/72/65/99/563726599.db2.gz YJYNCVFVEHLGNN-HNNXBMFYSA-N 0 3 307.397 3.732 50 0 DHAAHN Cc1ccc([C@@H](C)NC(=O)CN(C)[C@@H](C)C(C)(C)C)cc1C ZINC000027134462 563738027 /nfs/dbraw/zinc/73/80/27/563738027.db2.gz NXNUNTBCTJCGTI-CVEARBPZSA-N 0 3 304.478 3.847 50 0 DHAAHN CCc1cccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000241383567 563777468 /nfs/dbraw/zinc/77/74/68/563777468.db2.gz MWFZTPAVPAYYIA-AWEZNQCLSA-N 0 3 308.425 3.985 50 0 DHAAHN CN(CCCc1cccnc1)Cc1cc(-c2cccs2)n[nH]1 ZINC000244719236 563778989 /nfs/dbraw/zinc/77/89/89/563778989.db2.gz LZIPUNOZEOPGBS-UHFFFAOYSA-N 0 3 312.442 3.598 50 0 DHAAHN Cc1nc(CN(C)C[C@H]2CCCN2Cc2ccccc2)cs1 ZINC000244884336 563779993 /nfs/dbraw/zinc/77/99/93/563779993.db2.gz YKIDILLWTLNBRV-GOSISDBHSA-N 0 3 315.486 3.548 50 0 DHAAHN C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035047783 563795997 /nfs/dbraw/zinc/79/59/97/563795997.db2.gz NMZGDAGBEYLRLH-SNVBAGLBSA-N 0 3 323.223 3.943 50 0 DHAAHN CCN(CC)CCOC(=O)[C@H](c1cccs1)[C@H]1C=CCC1 ZINC000002039598 563798350 /nfs/dbraw/zinc/79/83/50/563798350.db2.gz PAQHBGYZMGCRMG-HOCLYGCPSA-N 0 3 307.459 3.683 50 0 DHAAHN CC(C)c1nn(C)c(Cl)c1CN[C@H]1CCc2ccccc2C1 ZINC000084622403 563829353 /nfs/dbraw/zinc/82/93/53/563829353.db2.gz ZNACLXOVMHQUSC-HNNXBMFYSA-N 0 3 317.864 3.844 50 0 DHAAHN Cc1ccc(CN2CCC3(CC2)C(=O)Nc2ccccc23)s1 ZINC000097785574 563840037 /nfs/dbraw/zinc/84/00/37/563840037.db2.gz SEEJJRCFRBMEDM-UHFFFAOYSA-N 0 3 312.438 3.542 50 0 DHAAHN CC(C)[C@@H](CNCc1cnn(C(C)(C)C)c1)Nc1ccccc1 ZINC000118449294 563869442 /nfs/dbraw/zinc/86/94/42/563869442.db2.gz OWPQJXWAMDZQOM-GOSISDBHSA-N 0 3 314.477 3.864 50 0 DHAAHN C[C@@H](C(=O)N(C)c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000229720305 563870825 /nfs/dbraw/zinc/87/08/25/563870825.db2.gz WLMRZHOTYMHCHD-FUHWJXTLSA-N 0 3 308.425 3.527 50 0 DHAAHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nnc(Cc2ccccc2)o1 ZINC000241132896 563880331 /nfs/dbraw/zinc/88/03/31/563880331.db2.gz JMYNPIRIZRDSJX-DJIMGWMZSA-N 0 3 311.429 3.813 50 0 DHAAHN CN(C)c1ccccc1CNCc1cccc(Br)c1 ZINC000075582518 563884963 /nfs/dbraw/zinc/88/49/63/563884963.db2.gz TYHHSBQQBTYBNA-UHFFFAOYSA-N 0 3 319.246 3.805 50 0 DHAAHN C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCCC1 ZINC000036077117 563892447 /nfs/dbraw/zinc/89/24/47/563892447.db2.gz BYWOVHMCLUFGFJ-MRXNPFEDSA-N 0 3 308.425 3.568 50 0 DHAAHN CC(C)CCN(Cc1ccsc1)C[C@@H](O)COCC(C)C ZINC000036099605 563893957 /nfs/dbraw/zinc/89/39/57/563893957.db2.gz YRUQNNXKFLLCML-QGZVFWFLSA-N 0 3 313.507 3.630 50 0 DHAAHN CCCNCc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000007003298 563901203 /nfs/dbraw/zinc/90/12/03/563901203.db2.gz BFMVHWLDFFMUPH-UHFFFAOYSA-N 0 3 306.431 3.717 50 0 DHAAHN O[C@H](CN[C@@H]1CCCNc2ccccc21)c1ccc(Cl)s1 ZINC000192914190 563901331 /nfs/dbraw/zinc/90/13/31/563901331.db2.gz ZHCBFOCLKKRBRN-ZIAGYGMSSA-N 0 3 322.861 3.972 50 0 DHAAHN CCCCc1ccc(NC(=S)NC2CCN(CC)CC2)cc1 ZINC000007368728 563905410 /nfs/dbraw/zinc/90/54/10/563905410.db2.gz LXYAIUHADNUYBY-UHFFFAOYSA-N 0 3 319.518 3.800 50 0 DHAAHN CCCCc1ccc(NC(=S)NC[C@@H]2CCCN2CC)cc1 ZINC000007561251 563908742 /nfs/dbraw/zinc/90/87/42/563908742.db2.gz OYXBBJFZVIRYGN-KRWDZBQOSA-N 0 3 319.518 3.800 50 0 DHAAHN Cc1ccc(NC(=O)CCN[C@H](C)c2cccnc2)c(Cl)c1 ZINC000089669703 563910939 /nfs/dbraw/zinc/91/09/39/563910939.db2.gz JJJAVRJQNBIIMB-CYBMUJFWSA-N 0 3 317.820 3.723 50 0 DHAAHN CC(C)C(=O)N1CC[C@H](N[C@@H](C)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000076056440 563912247 /nfs/dbraw/zinc/91/22/47/563912247.db2.gz AESHEFFZZCIMHS-DCGLDWPTSA-N 0 3 324.415 3.508 50 0 DHAAHN CC[C@@H](NCc1c[nH]nc1C)c1ccc(Br)cc1 ZINC000037886425 563930460 /nfs/dbraw/zinc/93/04/60/563930460.db2.gz OMCVDSWLSNYPJR-CQSZACIVSA-N 0 3 308.223 3.722 50 0 DHAAHN c1ccc(OCCN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000020601444 563931720 /nfs/dbraw/zinc/93/17/20/563931720.db2.gz ZOJDUPVXWFGDAP-MRXNPFEDSA-N 0 3 321.424 3.821 50 0 DHAAHN C[C@H](CSc1nc(-c2ccco2)nc2ccccc21)N(C)C ZINC000095941665 563931939 /nfs/dbraw/zinc/93/19/39/563931939.db2.gz BRFWIEIGQFFCET-GFCCVEGCSA-N 0 3 313.426 3.932 50 0 DHAAHN C[C@@H](CSc1nc(-c2ccco2)nc2ccccc21)N(C)C ZINC000095941664 563932044 /nfs/dbraw/zinc/93/20/44/563932044.db2.gz BRFWIEIGQFFCET-LBPRGKRZSA-N 0 3 313.426 3.932 50 0 DHAAHN O[C@]12CCCC[C@@H]1CN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000095967051 563932904 /nfs/dbraw/zinc/93/29/04/563932904.db2.gz QMLUMZVJISHTKV-CVEARBPZSA-N 0 3 313.363 3.832 50 0 DHAAHN COC[C@@](C)(NCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000096013791 563934953 /nfs/dbraw/zinc/93/49/53/563934953.db2.gz PWCVXWKETFGQHO-HXUWFJFHSA-N 0 3 321.424 3.524 50 0 DHAAHN CN1CCC(OC(=O)[C@@H](c2cccs2)[C@H]2C=CCCC2)CC1 ZINC000096028035 563935329 /nfs/dbraw/zinc/93/53/29/563935329.db2.gz TUYPAMBSJBATIZ-WMLDXEAASA-N 0 3 319.470 3.825 50 0 DHAAHN C[C@@H](NC[C@]1(CCO)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000096493446 563937469 /nfs/dbraw/zinc/93/74/69/563937469.db2.gz GVEBJMUZFXQCTI-PXAZEXFGSA-N 0 3 323.820 3.526 50 0 DHAAHN CCc1nn(C)c(CC)c1CNCCc1cc2ccccc2o1 ZINC000162836633 563941902 /nfs/dbraw/zinc/94/19/02/563941902.db2.gz GACAZZYSDWITLQ-UHFFFAOYSA-N 0 3 311.429 3.623 50 0 DHAAHN O=c1cc(CN2CCCCC2)c2ccc(Br)cc2o1 ZINC000009595740 563957086 /nfs/dbraw/zinc/95/70/86/563957086.db2.gz RNZICEIGFSHEBC-UHFFFAOYSA-N 0 3 322.202 3.541 50 0 DHAAHN CN(C)[C@H](CNC(=O)c1cccs1)c1cccc2ccccc21 ZINC000010330469 563958663 /nfs/dbraw/zinc/95/86/63/563958663.db2.gz YLFLKXBUVZEYNR-QGZVFWFLSA-N 0 3 324.449 3.934 50 0 DHAAHN Cc1nn(C)c(C)c1[C@@H](C)NCc1ccc(OC(C)C)cc1 ZINC000078553177 563961140 /nfs/dbraw/zinc/96/11/40/563961140.db2.gz ZFLLQRUSPLRTHV-CYBMUJFWSA-N 0 3 301.434 3.675 50 0 DHAAHN Cc1ccc(-c2nc(CCNCc3cccc(O)c3)co2)cc1 ZINC000078552480 563961204 /nfs/dbraw/zinc/96/12/04/563961204.db2.gz WSADPHRDNRKFFQ-UHFFFAOYSA-N 0 3 308.381 3.688 50 0 DHAAHN COc1ccc(-c2nc(CCNCc3ccc(C)o3)co2)cc1 ZINC000078552601 563961227 /nfs/dbraw/zinc/96/12/27/563961227.db2.gz QDVMCYPMKCKGOU-UHFFFAOYSA-N 0 3 312.369 3.584 50 0 DHAAHN C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000078966632 1014242368 /nfs/dbraw/zinc/24/23/68/1014242368.db2.gz VTEJOMZVGODZSE-CQSZACIVSA-N 0 3 310.441 3.934 50 0 DHAAHN CCCOc1ccc(NC(=O)CN(C)C2CCCC2)cc1Cl ZINC000952985922 1032682804 /nfs/dbraw/zinc/68/28/04/1032682804.db2.gz CNHXXBMXUHRYHX-UHFFFAOYSA-N 0 3 324.852 3.942 50 0 DHAAHN CN(Cc1cnn2cccnc12)C[C@]1(c2ccccc2)CC1(C)C ZINC000952984433 1032683329 /nfs/dbraw/zinc/68/33/29/1032683329.db2.gz LBTZLKLPPXORAN-FQEVSTJZSA-N 0 3 320.440 3.529 50 0 DHAAHN COc1cncc(/C=C/CCN2CCC[C@H]2c2cc(C)no2)c1 ZINC000568388760 1020304936 /nfs/dbraw/zinc/30/49/36/1020304936.db2.gz ROONRGPMNPCZRO-ZVVFDCPKSA-N 0 3 313.401 3.627 50 0 DHAAHN COc1ncc(CN(Cc2ccc(C)s2)C2CCCC2)cn1 ZINC000824852120 1020598228 /nfs/dbraw/zinc/59/82/28/1020598228.db2.gz WLIILLLBYPLOQG-UHFFFAOYSA-N 0 3 317.458 3.800 50 0 DHAAHN FC(F)(F)c1ccccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000084504679 1035328956 /nfs/dbraw/zinc/32/89/56/1035328956.db2.gz YDCZYQXIIKZQCL-ZDUSSCGKSA-N 0 3 309.335 3.808 50 0 DHAAHN COc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1O ZINC000000201340 1036746713 /nfs/dbraw/zinc/74/67/13/1036746713.db2.gz JNMQABYLOAKRSJ-UHFFFAOYSA-N 0 3 311.425 3.856 50 0 DHAAHN Cc1cccc(Cl)c1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000095528411 185378558 /nfs/dbraw/zinc/37/85/58/185378558.db2.gz PWQFZYIYLZJXHQ-UHFFFAOYSA-N 0 3 323.868 3.987 50 0 DHAAHN Cc1c([C@@H](C)NCCc2ccccn2)cnn1-c1ccc(F)cc1 ZINC000095419169 185359877 /nfs/dbraw/zinc/35/98/77/185359877.db2.gz YDQHERKJRIYOAH-CQSZACIVSA-N 0 3 324.403 3.608 50 0 DHAAHN Cc1ccsc1[C@H](C)NCc1ccc(Cn2cncn2)cc1 ZINC000095419763 185360210 /nfs/dbraw/zinc/36/02/10/185360210.db2.gz FJHXGVKFBKPZKY-AWEZNQCLSA-N 0 3 312.442 3.547 50 0 DHAAHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000097014462 185397235 /nfs/dbraw/zinc/39/72/35/185397235.db2.gz BRSSXUUEBBKWCU-VXGBXAGGSA-N 0 3 324.387 3.564 50 0 DHAAHN COc1ccc(C[C@H](C)N[C@H](C)c2ncc(C)s2)cc1OC ZINC000097017226 185397475 /nfs/dbraw/zinc/39/74/75/185397475.db2.gz YCFROBBDZUUCHR-WCQYABFASA-N 0 3 320.458 3.751 50 0 DHAAHN Fc1ccccc1OC[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000072147808 191052501 /nfs/dbraw/zinc/05/25/01/191052501.db2.gz XSAZSLWNVFQAKC-MRXNPFEDSA-N 0 3 300.377 3.512 50 0 DHAAHN O=C(CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000072411932 191155495 /nfs/dbraw/zinc/15/54/95/191155495.db2.gz SOAYATPGMFHHFX-LJQANCHMSA-N 0 3 323.436 3.806 50 0 DHAAHN CCOc1ccccc1NC(=O)[C@@H](NC(C)C)c1ccccc1 ZINC000003414796 181016867 /nfs/dbraw/zinc/01/68/67/181016867.db2.gz LVGGMEWBHPEMRF-SFHVURJKSA-N 0 3 312.413 3.763 50 0 DHAAHN C[C@H]1CCCCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004833934 181159187 /nfs/dbraw/zinc/15/91/87/181159187.db2.gz OOUWLKQIFUITQD-AAEUAGOBSA-N 0 3 318.244 3.608 50 0 DHAAHN CN(C)CCSc1nc(-c2ccccc2)nc2c1CCCC2 ZINC000005164650 181212503 /nfs/dbraw/zinc/21/25/03/181212503.db2.gz OIOIVQUTUSYVRX-UHFFFAOYSA-N 0 3 313.470 3.676 50 0 DHAAHN O=C(Nc1cccc(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000006697567 181371557 /nfs/dbraw/zinc/37/15/57/181371557.db2.gz FTMKHOVWLRZSNJ-UHFFFAOYSA-N 0 3 321.852 3.822 50 0 DHAAHN COc1ccc2c(c1)c1c3n2CCN(C2CCCCC2)C3=NCC1 ZINC000006710512 181375862 /nfs/dbraw/zinc/37/58/62/181375862.db2.gz GLGVXUZRAPAKTI-UHFFFAOYSA-N 0 3 323.440 3.601 50 0 DHAAHN CC[C@@H](C)c1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC000006731243 181379080 /nfs/dbraw/zinc/37/90/80/181379080.db2.gz LTADXZKUHAHAGS-OAHLLOKOSA-N 0 3 303.450 3.808 50 0 DHAAHN CN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ccccc3)c1)C2 ZINC000091736635 193098878 /nfs/dbraw/zinc/09/88/78/193098878.db2.gz APANZXZIILHZLL-OXQOHEQNSA-N 0 3 320.436 3.520 50 0 DHAAHN CCn1ccnc1[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000091987125 193137504 /nfs/dbraw/zinc/13/75/04/193137504.db2.gz ANZXIPHFPXWBIL-OAHLLOKOSA-N 0 3 303.837 3.936 50 0 DHAAHN C[C@@H]1CC[C@H](CO)CN1Cc1ccccc1OC1CCCC1 ZINC000093737857 193298141 /nfs/dbraw/zinc/29/81/41/193298141.db2.gz WRQZBIYTGHVIJU-CVEARBPZSA-N 0 3 303.446 3.601 50 0 DHAAHN COc1ccc(C[C@@H](C)NCc2ccccc2F)cc1OC ZINC000012383606 181755268 /nfs/dbraw/zinc/75/52/68/181755268.db2.gz PRPJCZIPKBGMGL-CYBMUJFWSA-N 0 3 303.377 3.564 50 0 DHAAHN CC(C)[C@H](NCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000015549902 182006030 /nfs/dbraw/zinc/00/60/30/182006030.db2.gz IPIKXRHLVLBQJO-SFHVURJKSA-N 0 3 318.367 3.890 50 0 DHAAHN CCOc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000019359664 182118590 /nfs/dbraw/zinc/11/85/90/182118590.db2.gz CFSBYLBRWKJABK-SFHVURJKSA-N 0 3 314.473 3.559 50 0 DHAAHN C(=C/c1ccccc1)\CN1CCN(CCc2ccccc2)CC1 ZINC000019633908 182133989 /nfs/dbraw/zinc/13/39/89/182133989.db2.gz KQTQRXCHAVUXGV-KPKJPENVSA-N 0 3 306.453 3.560 50 0 DHAAHN Clc1ccccc1CN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000019788048 182148308 /nfs/dbraw/zinc/14/83/08/182148308.db2.gz WDEUKRRXDADAJJ-MRXNPFEDSA-N 0 3 304.865 3.814 50 0 DHAAHN Clc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019809281 182152855 /nfs/dbraw/zinc/15/28/55/182152855.db2.gz DFEKGEVTPASXGK-MRXNPFEDSA-N 0 3 304.865 3.814 50 0 DHAAHN COc1cccc(CNCCc2ccc(Cl)cc2)c1OC ZINC000019831380 182154835 /nfs/dbraw/zinc/15/48/35/182154835.db2.gz GGTQQSYZSJJXKA-UHFFFAOYSA-N 0 3 305.805 3.690 50 0 DHAAHN Cc1cccc(CN(C)[C@H]2CCCN(CCc3ccccc3)C2)n1 ZINC000020211569 182197365 /nfs/dbraw/zinc/19/73/65/182197365.db2.gz XSDLPCVAJKZGJK-NRFANRHFSA-N 0 3 323.484 3.529 50 0 DHAAHN CCC(=O)c1ccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020652925 182241816 /nfs/dbraw/zinc/24/18/16/182241816.db2.gz XMWUZASLQCBKFX-HOTGVXAUSA-N 0 3 319.445 3.548 50 0 DHAAHN COc1ccc2ccccc2c1[C@@H]1NCC[C@]2(O)CCCC[C@@H]12 ZINC000022023029 182304854 /nfs/dbraw/zinc/30/48/54/182304854.db2.gz IPCTZAPSIHIEIV-PWIZWCRZSA-N 0 3 311.425 3.804 50 0 DHAAHN Cc1ccc(N(C[C@H](O)CN2CCCCC2)c2ccccc2)cc1 ZINC000022216156 182313649 /nfs/dbraw/zinc/31/36/49/182313649.db2.gz GXZBMQKUWBEVGB-OAQYLSRUSA-N 0 3 324.468 3.980 50 0 DHAAHN CC(C)(CNC(=O)Nc1ccccc1)N1CCc2ccccc2C1 ZINC000023130130 182350006 /nfs/dbraw/zinc/35/00/06/182350006.db2.gz RGUCFVSLTQFQBJ-UHFFFAOYSA-N 0 3 323.440 3.645 50 0 DHAAHN Cc1cc2ccccc2n1CC(=O)Nc1ccccc1CN(C)C ZINC000024811115 182391763 /nfs/dbraw/zinc/39/17/63/182391763.db2.gz NAVNZLNRUISAGS-UHFFFAOYSA-N 0 3 321.424 3.650 50 0 DHAAHN CCCN(Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036096294 182798014 /nfs/dbraw/zinc/79/80/14/182798014.db2.gz ZJSMBWIYKLPNHJ-GOSISDBHSA-N 0 3 301.405 3.641 50 0 DHAAHN CCC(CC)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000038584344 183003492 /nfs/dbraw/zinc/00/34/92/183003492.db2.gz KEQFAFZPTJKMKW-UHFFFAOYSA-N 0 3 308.491 3.513 50 0 DHAAHN CC(C)[C@@H](N[C@H](C)C(=O)NCc1cccs1)c1ccccc1 ZINC000040002686 183027104 /nfs/dbraw/zinc/02/71/04/183027104.db2.gz OHCMDCOUVYMADX-RHSMWYFYSA-N 0 3 316.470 3.740 50 0 DHAAHN CC(C)[C@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccccc1 ZINC000040002683 183027670 /nfs/dbraw/zinc/02/76/70/183027670.db2.gz OHCMDCOUVYMADX-YOEHRIQHSA-N 0 3 316.470 3.740 50 0 DHAAHN Cc1cc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C(C)C)no1 ZINC000057383493 184036812 /nfs/dbraw/zinc/03/68/12/184036812.db2.gz QTKQUOXQYQCFEA-INIZCTEOSA-N 0 3 321.808 3.562 50 0 DHAAHN Cc1cccc(C)c1-n1nnnc1CNC(C)(C)CC(C)(C)C ZINC000060478161 184150007 /nfs/dbraw/zinc/15/00/07/184150007.db2.gz IYKHUEBENWBBQH-UHFFFAOYSA-N 0 3 315.465 3.584 50 0 DHAAHN c1cc(CN2CCC(c3ccncc3)CC2)n(-c2nccs2)c1 ZINC000065533762 184361859 /nfs/dbraw/zinc/36/18/59/184361859.db2.gz ZTLCUAXJTGRVAE-UHFFFAOYSA-N 0 3 324.453 3.708 50 0 DHAAHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000157236939 197172709 /nfs/dbraw/zinc/17/27/09/197172709.db2.gz XMPSKZSAWMRXOM-GOEBONIOSA-N 0 3 318.461 3.525 50 0 DHAAHN CCC[C@H]1CCCN1C(=O)c1ccc(-c2cc(N)ccn2)cc1 ZINC000426359993 257253183 /nfs/dbraw/zinc/25/31/83/257253183.db2.gz UPGFXDLMLVOWIR-KRWDZBQOSA-N 0 3 309.413 3.736 50 0 DHAAHN C[C@H](O)C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000092969343 332132849 /nfs/dbraw/zinc/13/28/49/332132849.db2.gz XQWWNFWUQYKERU-HNNXBMFYSA-N 0 3 303.446 3.601 50 0 DHAAHN Clc1ccc([C@H](NC2CCOCC2)c2cccnc2)cc1 ZINC000534593342 334294855 /nfs/dbraw/zinc/29/48/55/334294855.db2.gz URSFQGVQIOGLDM-KRWDZBQOSA-N 0 3 302.805 3.593 50 0 DHAAHN CC(C)N(CCN1CCCCCC1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000345960855 335364173 /nfs/dbraw/zinc/36/41/73/335364173.db2.gz MBOIEKKGXKYNRZ-HNNXBMFYSA-N 0 3 316.436 3.535 50 0 DHAAHN Fc1ccc(NC2CCN(Cc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000179426291 337169433 /nfs/dbraw/zinc/16/94/33/337169433.db2.gz JVTOGBJOYIJTAU-UHFFFAOYSA-N 0 3 324.403 3.779 50 0 DHAAHN Cn1c(CN[C@@H]2CCC[C@@H]2c2ccccc2)nnc1C1CCC1 ZINC000133668150 337383259 /nfs/dbraw/zinc/38/32/59/337383259.db2.gz WRYWXIHDQRCXCU-IAGOWNOFSA-N 0 3 310.445 3.509 50 0 DHAAHN Clc1ccc(Cc2noc(C3CCN(C4CC4)CC3)n2)cc1 ZINC000192704263 526953570 /nfs/dbraw/zinc/95/35/70/526953570.db2.gz UZCONEZDTRPXNK-UHFFFAOYSA-N 0 3 317.820 3.656 50 0 DHAAHN Cc1ccc([C@H](CNC(=O)C(C)C)N2CCCCCC2)cc1 ZINC000027662459 563429422 /nfs/dbraw/zinc/42/94/22/563429422.db2.gz WGEQKDFGDBCSCQ-SFHVURJKSA-N 0 3 302.462 3.684 50 0 DHAAHN CC[C@@H](CO)NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000008326398 563345971 /nfs/dbraw/zinc/34/59/71/563345971.db2.gz BDVAVLGXDKQPIE-KRWDZBQOSA-N 0 3 319.832 3.780 50 0 DHAAHN C/C=C(\C)CN1CCC[C@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012094071 563361645 /nfs/dbraw/zinc/36/16/45/563361645.db2.gz OYSHLVZUYVDPDF-RNDAEWJDSA-N 0 3 317.429 3.565 50 0 DHAAHN Fc1ccccc1Oc1ncccc1CNC1CCSCC1 ZINC000012307898 563366073 /nfs/dbraw/zinc/36/60/73/563366073.db2.gz QKSNFEKKOANQJI-UHFFFAOYSA-N 0 3 318.417 3.998 50 0 DHAAHN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C2CCOCC2)C1 ZINC000012711142 563373453 /nfs/dbraw/zinc/37/34/53/563373453.db2.gz BBMDSZXLIRIJRN-AWEZNQCLSA-N 0 3 321.848 3.722 50 0 DHAAHN COc1ccc(-c2nnc([C@H](C)N3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000025507896 563423391 /nfs/dbraw/zinc/42/33/91/563423391.db2.gz QCBYCAKLDSMCBZ-MCIONIFRSA-N 0 3 315.417 3.784 50 0 DHAAHN COCCN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(C)cc1 ZINC000055228220 563472914 /nfs/dbraw/zinc/47/29/14/563472914.db2.gz UXZCLLLKTZMQKY-UHFFFAOYSA-N 0 3 315.461 3.664 50 0 DHAAHN c1nc(CCN[C@@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000096480635 563484752 /nfs/dbraw/zinc/48/47/52/563484752.db2.gz RPNJOXYCUKRWKE-OAHLLOKOSA-N 0 3 300.427 3.722 50 0 DHAAHN Cc1nccn1CC[C@H]1CCCCN1Cc1ccc(Cl)nc1 ZINC000067490233 563487932 /nfs/dbraw/zinc/48/79/32/563487932.db2.gz LWZAJJXRODXEPW-MRXNPFEDSA-N 0 3 318.852 3.685 50 0 DHAAHN CN(C)Cc1cccc(-c2nccn2-c2ccc(F)cc2F)c1 ZINC000067743522 563490582 /nfs/dbraw/zinc/49/05/82/563490582.db2.gz HGRLEEDQDRRCNP-UHFFFAOYSA-N 0 3 313.351 3.879 50 0 DHAAHN COc1ccc2cc([C@H]3CN(c4ccncc4)CCO3)ccc2c1 ZINC000071775515 563500688 /nfs/dbraw/zinc/50/06/88/563500688.db2.gz UNRIDEONXLJPBM-HXUWFJFHSA-N 0 3 320.392 3.821 50 0 DHAAHN FC(F)(F)c1cccnc1CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000097034996 563504383 /nfs/dbraw/zinc/50/43/83/563504383.db2.gz PSEFAMJHVCYWPT-HIFRSBDPSA-N 0 3 324.350 3.570 50 0 DHAAHN CC(C)=CCN1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095376479 563529522 /nfs/dbraw/zinc/52/95/22/563529522.db2.gz PXZLZYGPHQAEKD-HNNXBMFYSA-N 0 3 316.474 3.534 50 0 DHAAHN CCCCn1ccnc1[C@@H]1CCCN(Cc2scnc2C)C1 ZINC000095387254 563529754 /nfs/dbraw/zinc/52/97/54/563529754.db2.gz UMEJFKQNSWELQF-OAHLLOKOSA-N 0 3 318.490 3.828 50 0 DHAAHN CCN(CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C1CCCC1 ZINC000097491330 563594187 /nfs/dbraw/zinc/59/41/87/563594187.db2.gz STPFUIXKHMGDDT-ZDUSSCGKSA-N 0 3 324.415 3.749 50 0 DHAAHN Cc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000000486106 563646857 /nfs/dbraw/zinc/64/68/57/563646857.db2.gz CMQKORYZVNPMIX-ICSRJNTNSA-N 0 3 320.436 3.752 50 0 biogenic DHAAHN Cc1cc(C)c(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c(C)c1 ZINC000045951815 563691307 /nfs/dbraw/zinc/69/13/07/563691307.db2.gz MMNODLYVTWRJBH-DLBZAZTESA-N 0 3 317.477 3.996 50 0 DHAAHN Cc1cc([C@@H]2CCCN2CCCc2nc3ccccc3o2)on1 ZINC000048278795 563694752 /nfs/dbraw/zinc/69/47/52/563694752.db2.gz QGQDLLMXKKCROX-HNNXBMFYSA-N 0 3 311.385 3.894 50 0 DHAAHN Cc1nccn1-c1ccc(CNCc2cccc(Cl)c2)cn1 ZINC000048782280 563700148 /nfs/dbraw/zinc/70/01/48/563700148.db2.gz BESXKIYWFFJDEO-UHFFFAOYSA-N 0 3 312.804 3.519 50 0 DHAAHN Cc1noc(C)c1[C@@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 ZINC000215100612 563704727 /nfs/dbraw/zinc/70/47/27/563704727.db2.gz BOANAYBNRUKTEH-SFHVURJKSA-N 0 3 322.412 3.814 50 0 DHAAHN Cc1occc1C(=O)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000215722064 563706830 /nfs/dbraw/zinc/70/68/30/563706830.db2.gz XINUESZVENOOGX-SFHVURJKSA-N 0 3 312.413 3.545 50 0 DHAAHN CC(=O)c1cc(CN2CCC[C@H](c3ccccc3C)C2)n(C)c1 ZINC000216382970 563709357 /nfs/dbraw/zinc/70/93/57/563709357.db2.gz RWKYFESFBMWHJP-KRWDZBQOSA-N 0 3 310.441 3.916 50 0 DHAAHN OCCN(Cc1ccccc1)Cc1ccccc1C(F)(F)F ZINC000055292369 563714457 /nfs/dbraw/zinc/71/44/57/563714457.db2.gz SDGAIUPMSLQTSF-UHFFFAOYSA-N 0 3 309.331 3.700 50 0 DHAAHN COc1ccc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000025356086 563726754 /nfs/dbraw/zinc/72/67/54/563726754.db2.gz YJYNCVFVEHLGNN-OAHLLOKOSA-N 0 3 307.397 3.732 50 0 DHAAHN CC(C)c1nc(CN(C)[C@H](CN(C)C)c2ccccc2)co1 ZINC000230532644 563773411 /nfs/dbraw/zinc/77/34/11/563773411.db2.gz ZTZDASDCJYVYPF-QGZVFWFLSA-N 0 3 301.434 3.533 50 0 DHAAHN CO[C@H](c1ccccc1F)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC000241121746 563776742 /nfs/dbraw/zinc/77/67/42/563776742.db2.gz JDQWVTNSQMTIOX-DIFFPNOSSA-N 0 3 309.331 3.970 50 0 DHAAHN CCOC(=O)NC1CCC(NCc2sccc2Cl)CC1 ZINC000225612723 563793951 /nfs/dbraw/zinc/79/39/51/563793951.db2.gz AJBMHWGYYPDCAV-UHFFFAOYSA-N 0 3 316.854 3.548 50 0 DHAAHN CN(Cc1ccn(C)c(=O)c1)C(c1ccccc1)c1ccccc1 ZINC000042112312 563798427 /nfs/dbraw/zinc/79/84/27/563798427.db2.gz QYFFGOIYSAGBOV-UHFFFAOYSA-N 0 3 318.420 3.607 50 0 DHAAHN C[C@H](NCc1ccc(Cl)nc1)c1cccc(-n2ccnc2)c1 ZINC000083473198 563811462 /nfs/dbraw/zinc/81/14/62/563811462.db2.gz GFHAKBYEDWSNAN-ZDUSSCGKSA-N 0 3 312.804 3.772 50 0 DHAAHN Cc1ccccc1[C@H](NCc1ccc([S@@](C)=O)cc1)C1CC1 ZINC000084234913 563825897 /nfs/dbraw/zinc/82/58/97/563825897.db2.gz BYFYPWOTIFWCAB-KNQAVFIVSA-N 0 3 313.466 3.973 50 0 DHAAHN CC(C)c1nn(C)c(Cl)c1CN[C@@H]1CCc2ccccc2C1 ZINC000084622402 563828839 /nfs/dbraw/zinc/82/88/39/563828839.db2.gz ZNACLXOVMHQUSC-OAHLLOKOSA-N 0 3 317.864 3.844 50 0 DHAAHN Cc1c(CN[C@@H](C)c2cccc(-c3ccncc3)c2)cnn1C ZINC000090888008 563876517 /nfs/dbraw/zinc/87/65/17/563876517.db2.gz IZDKVGJXVIXAQT-AWEZNQCLSA-N 0 3 306.413 3.641 50 0 DHAAHN CCn1c(CNCCc2c[nH]c3ccccc23)nc2ccccc21 ZINC000054041172 563882867 /nfs/dbraw/zinc/88/28/67/563882867.db2.gz VLMSWWRQUAAYJO-UHFFFAOYSA-N 0 3 318.424 3.870 50 0 DHAAHN CCn1cnnc1[C@H]1CCCN([C@@H](C)c2cccc(Cl)c2)C1 ZINC000089310056 563884822 /nfs/dbraw/zinc/88/48/22/563884822.db2.gz WJDABNWSGRIIQQ-ZFWWWQNUSA-N 0 3 318.852 3.892 50 0 DHAAHN Cc1cc2ncc([C@@H](C)NCCSC(C)(C)C)c(C)n2n1 ZINC000089516575 563889657 /nfs/dbraw/zinc/88/96/57/563889657.db2.gz DJBRNYMSBKZIPB-GFCCVEGCSA-N 0 3 306.479 3.528 50 0 DHAAHN Cc1cccc(C)c1NC(=S)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000036847521 563904667 /nfs/dbraw/zinc/90/46/67/563904667.db2.gz DUDCZGJOECMPLN-JKSUJKDBSA-N 0 3 319.518 3.853 50 0 DHAAHN C[C@H](c1ccncc1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000076059621 563912185 /nfs/dbraw/zinc/91/21/85/563912185.db2.gz QZKKPRVLOMBTET-YPMHNXCESA-N 0 3 324.350 3.764 50 0 DHAAHN N[C@H](CC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195544194 563919697 /nfs/dbraw/zinc/91/96/97/563919697.db2.gz WTHPQIOYMMPMPY-QZTJIDSGSA-N 0 3 312.388 3.579 50 0 DHAAHN Cc1ccccc1[C@@H]1CCCN1C(=O)C[C@H](N)c1ccccc1 ZINC000225444223 563928174 /nfs/dbraw/zinc/92/81/74/563928174.db2.gz WEABRRZHMVYCHS-OALUTQOASA-N 0 3 308.425 3.749 50 0 DHAAHN C[C@H](C(=O)N1CCC[C@@H]1c1ccccc1)[C@H](N)c1ccccc1 ZINC000095965543 563932722 /nfs/dbraw/zinc/93/27/22/563932722.db2.gz AGSKPWPTCXZGGR-IPELMVKDSA-N 0 3 308.425 3.686 50 0 DHAAHN C[C@H](NC[C@@H]1Cc2ccccc2O1)c1ccc2ccccc2n1 ZINC000095967210 563932943 /nfs/dbraw/zinc/93/29/43/563932943.db2.gz FRBYESYGQUPTHL-YOEHRIQHSA-N 0 3 304.393 3.889 50 0 DHAAHN Cc1cnc([C@H](C)N[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000096003612 563934555 /nfs/dbraw/zinc/93/45/55/563934555.db2.gz QHFJXWAANOXMLX-RDJZCZTQSA-N 0 3 313.445 3.687 50 0 DHAAHN CN(CC[C@@H](O)c1ccccc1)Cc1c[nH]nc1-c1ccccc1 ZINC000670459826 563945535 /nfs/dbraw/zinc/94/55/35/563945535.db2.gz BTPHJOKMADOKKR-LJQANCHMSA-N 0 3 321.424 3.632 50 0 DHAAHN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCC(C)CC1 ZINC000008717524 563950306 /nfs/dbraw/zinc/95/03/06/563950306.db2.gz UWUHYMLLUJMLME-UHFFFAOYSA-N 0 3 313.445 3.547 50 0 DHAAHN Cc1ccc(F)c(CN[C@H](Cn2ccnc2)C(C)(C)C)c1F ZINC000952869896 1032668924 /nfs/dbraw/zinc/66/89/24/1032668924.db2.gz ONASXXYGQRNSRW-OAHLLOKOSA-N 0 3 307.388 3.674 50 0 DHAAHN C[C@H](NCc1nncn1-c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417332332 1017368379 /nfs/dbraw/zinc/36/83/79/1017368379.db2.gz XCUCJDPZSMCLOL-CWRNSKLLSA-N 0 3 324.453 3.611 50 0 DHAAHN Cc1ccc(-c2cccc(CN3CC(N4CCCCC4)C3)c2)o1 ZINC000825197942 1020631235 /nfs/dbraw/zinc/63/12/35/1020631235.db2.gz XCTOUMZXAJMXNP-UHFFFAOYSA-N 0 3 310.441 3.925 50 0 DHAAHN CC[C@H](c1ccc(Cl)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000048366863 1023743141 /nfs/dbraw/zinc/74/31/41/1023743141.db2.gz BKSMYLAKUSUPLG-QGZVFWFLSA-N 0 3 320.864 3.782 50 0 DHAAHN Cc1cc([C@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)on1 ZINC000052010260 1026101907 /nfs/dbraw/zinc/10/19/07/1026101907.db2.gz BNGGLLHEJSDTGP-CABCVRRESA-N 0 3 306.793 3.507 50 0 DHAAHN COCc1ccc([C@H]2CCCN2CCOc2ccc(F)cc2)o1 ZINC000131414509 1028547112 /nfs/dbraw/zinc/54/71/12/1028547112.db2.gz QHNVDRHQCQQKOF-QGZVFWFLSA-N 0 3 319.376 3.781 50 0 DHAAHN Oc1ccc(C2=CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000171945100 1039678397 /nfs/dbraw/zinc/67/83/97/1039678397.db2.gz GARLBMKXMPYPNM-UHFFFAOYSA-N 0 3 307.393 3.616 50 0 DHAAHN Cc1noc(CCCN(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000078971002 185137630 /nfs/dbraw/zinc/13/76/30/185137630.db2.gz WHNBNJYPCKYWTM-LRDDRELGSA-N 0 3 315.417 3.692 50 0 DHAAHN Cc1cc(C)n2c(CN[C@@H](C)c3cccc(Cl)c3)cnc2n1 ZINC000078998791 185144153 /nfs/dbraw/zinc/14/41/53/185144153.db2.gz VWECVNIRQXOJJD-ZDUSSCGKSA-N 0 3 314.820 3.850 50 0 DHAAHN CCNc1ccnc(CN(C)[C@@H](C)c2cc(F)ccc2F)c1 ZINC000089977919 185273358 /nfs/dbraw/zinc/27/33/58/185273358.db2.gz JEALVYMEQKGOQV-LBPRGKRZSA-N 0 3 305.372 3.985 50 0 DHAAHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(-n3cncn3)cc1)CC2 ZINC000095419442 185359871 /nfs/dbraw/zinc/35/98/71/185359871.db2.gz FTSVKBAMOFXCJD-YWZLYKJASA-N 0 3 318.424 3.914 50 0 DHAAHN Cc1c(C(=O)O[C@H](C)c2cccnc2)ccc2cnc(C3CC3)n21 ZINC000095468954 185372351 /nfs/dbraw/zinc/37/23/51/185372351.db2.gz ICRWWXXBFVJOSA-CYBMUJFWSA-N 0 3 321.380 3.833 50 0 DHAAHN C[C@H](C(=O)N(C)Cc1ccc(Cl)s1)[C@@H](N)c1ccccc1 ZINC000130223860 185947596 /nfs/dbraw/zinc/94/75/96/185947596.db2.gz OVVXCPMYEKRURL-XHDPSFHLSA-N 0 3 322.861 3.696 50 0 DHAAHN CCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@@H]1c1ccccc1 ZINC000071767064 191028713 /nfs/dbraw/zinc/02/87/13/191028713.db2.gz FFEVEWPSMCPLDX-UXHICEINSA-N 0 3 309.409 3.912 50 0 DHAAHN CS[C@@H](C)CCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000072132991 191044411 /nfs/dbraw/zinc/04/44/11/191044411.db2.gz HTIXTNUXTKKTKI-AWEZNQCLSA-N 0 3 312.910 3.599 50 0 DHAAHN CN(Cc1cnn(-c2ccccc2)c1)C[C@H]1CCOC(C)(C)C1 ZINC000072133130 191045332 /nfs/dbraw/zinc/04/53/32/191045332.db2.gz LYLREBBJNLDOTL-INIZCTEOSA-N 0 3 313.445 3.509 50 0 DHAAHN Cc1cccc2[nH]c([C@@H]3CCCN(Cc4cccnc4)C3)nc21 ZINC000072156608 191058709 /nfs/dbraw/zinc/05/87/09/191058709.db2.gz FOTSGSMLCDHARM-MRXNPFEDSA-N 0 3 306.413 3.646 50 0 DHAAHN Cc1cccc2nc([C@@H]3CCCN(Cc4cccnc4)C3)[nH]c21 ZINC000072156608 191058712 /nfs/dbraw/zinc/05/87/12/191058712.db2.gz FOTSGSMLCDHARM-MRXNPFEDSA-N 0 3 306.413 3.646 50 0 DHAAHN Cc1cccc2[nH]c([C@H]3CCCN(Cc4cccnc4)C3)nc21 ZINC000072156610 191059372 /nfs/dbraw/zinc/05/93/72/191059372.db2.gz FOTSGSMLCDHARM-INIZCTEOSA-N 0 3 306.413 3.646 50 0 DHAAHN Cc1cccc2nc([C@H]3CCCN(Cc4cccnc4)C3)[nH]c21 ZINC000072156610 191059375 /nfs/dbraw/zinc/05/93/75/191059375.db2.gz FOTSGSMLCDHARM-INIZCTEOSA-N 0 3 306.413 3.646 50 0 DHAAHN Cc1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)oc1C ZINC000072154058 191059780 /nfs/dbraw/zinc/05/97/80/191059780.db2.gz CKDPJAQKBNPFDD-UHFFFAOYSA-N 0 3 316.420 3.743 50 0 DHAAHN CCN1CC2(CCN(Cc3ccc(C(C)C)cc3)CC2)OC1=O ZINC000072432051 191164703 /nfs/dbraw/zinc/16/47/03/191164703.db2.gz PHILHEOAOXHESP-UHFFFAOYSA-N 0 3 316.445 3.617 50 0 DHAAHN Cc1ccc(-c2csc3ncnc(NCCN(C)C)c23)cc1 ZINC000003346730 181009722 /nfs/dbraw/zinc/00/97/22/181009722.db2.gz IJKQKKJIJUNBLQ-UHFFFAOYSA-N 0 3 312.442 3.640 50 0 DHAAHN CCCC[C@@H](C(=O)Nc1ccc2c(c1)C[C@H](C)O2)N(CC)CC ZINC000004063958 181068500 /nfs/dbraw/zinc/06/85/00/181068500.db2.gz VCXCSUROFHCUQZ-YOEHRIQHSA-N 0 3 318.461 3.849 50 0 biogenic DHAAHN CCCCN(C(=O)c1ccc(F)cc1)C1=C[C@H]2CC[C@@H](C1)N2C ZINC000004270567 181089972 /nfs/dbraw/zinc/08/99/72/181089972.db2.gz FPNVTFWFUHBNPU-SJORKVTESA-N 0 3 316.420 3.818 50 0 DHAAHN C[C@@H]1CCCCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004833933 181159627 /nfs/dbraw/zinc/15/96/27/181159627.db2.gz OOUWLKQIFUITQD-YPMHNXCESA-N 0 3 318.244 3.608 50 0 DHAAHN Cc1ccc2c(c1)[C@H](c1ccccc1)[C@@H](N1CCCCC1)C(=O)N2 ZINC000004889064 181168641 /nfs/dbraw/zinc/16/86/41/181168641.db2.gz QEGHIXFHUNLHMD-VQTJNVASSA-N 0 3 320.436 3.934 50 0 DHAAHN COc1ccc(CNCc2ccc(SC)cc2)cc1OC ZINC000004891835 181168935 /nfs/dbraw/zinc/16/89/35/181168935.db2.gz WXMYNBWRJAQKFF-UHFFFAOYSA-N 0 3 303.427 3.716 50 0 DHAAHN C[C@H](O)CNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942919 181177041 /nfs/dbraw/zinc/17/70/41/181177041.db2.gz PBINHKISSDLYSG-VIFPVBQESA-N 0 3 300.185 3.724 50 0 DHAAHN COc1cc2c(cc1OC)CN(C[C@H](C)c1ccccc1)CC2 ZINC000004988031 181184963 /nfs/dbraw/zinc/18/49/63/181184963.db2.gz KJZLJRUWEDNIIV-HNNXBMFYSA-N 0 3 311.425 3.866 50 0 DHAAHN O[C@]12CCCC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)NCC2 ZINC000005030749 181194143 /nfs/dbraw/zinc/19/41/43/181194143.db2.gz ACIPGBAJNWOPTK-GLQYFDAESA-N 0 3 300.229 3.949 50 0 DHAAHN Cc1cc(Cl)ccc1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000005073468 181201328 /nfs/dbraw/zinc/20/13/28/181201328.db2.gz FXAIWIDYRBAWFK-WMLDXEAASA-N 0 3 319.832 3.739 50 0 DHAAHN C[C@@H]1C[C@H](C)CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000005186281 181215161 /nfs/dbraw/zinc/21/51/61/181215161.db2.gz KXPRFOGIFRLJDK-OKILXGFUSA-N 0 3 311.425 3.760 50 0 biogenic DHAAHN CCOC(=O)C1CCN(CCC(C)(C)c2ccc(C)o2)CC1 ZINC000006682021 181370699 /nfs/dbraw/zinc/37/06/99/181370699.db2.gz CMTHIOSXRDMGAT-UHFFFAOYSA-N 0 3 307.434 3.531 50 0 DHAAHN O=C(NCCN1CCCCC1)Nc1cccc(Cl)c1Cl ZINC000006698648 181371905 /nfs/dbraw/zinc/37/19/05/181371905.db2.gz MAEVNNAEOOHAQS-UHFFFAOYSA-N 0 3 316.232 3.601 50 0 DHAAHN CCCCOC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091649727 193084639 /nfs/dbraw/zinc/08/46/39/193084639.db2.gz DUFADSVWPYFKAX-QZTJIDSGSA-N 0 3 316.445 3.520 50 0 DHAAHN CC(C)[C@H](NCCSC(C)(C)C)c1nnc2ccccn21 ZINC000252491808 202849400 /nfs/dbraw/zinc/84/94/00/202849400.db2.gz LTRYPENVJNSGGR-AWEZNQCLSA-N 0 3 306.479 3.548 50 0 DHAAHN CC[C@H](C)c1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000013775554 181894548 /nfs/dbraw/zinc/89/45/48/181894548.db2.gz QJKVYXBBYWHJTG-ZDUSSCGKSA-N 0 3 305.491 3.581 50 0 DHAAHN COC(=O)c1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837358 182020522 /nfs/dbraw/zinc/02/05/22/182020522.db2.gz VSMXKMOCLOTMTM-SFHVURJKSA-N 0 3 313.372 3.949 50 0 DHAAHN CCN1C(=S)N=NC1[C@@H](C)Oc1ccc(F)cc1Cl ZINC000017030742 182068746 /nfs/dbraw/zinc/06/87/46/182068746.db2.gz RBFUTAJJWLUOLV-SSDOTTSWSA-N 0 3 301.774 3.519 50 0 DHAAHN CN(CCc1ccccn1)Cc1ccc(Br)cc1 ZINC000019607106 182133033 /nfs/dbraw/zinc/13/30/33/182133033.db2.gz QALWBFOQSRNSCP-UHFFFAOYSA-N 0 3 305.219 3.519 50 0 DHAAHN CCc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1 ZINC000019842346 182156041 /nfs/dbraw/zinc/15/60/41/182156041.db2.gz OWELGTCZVOEWNG-UHFFFAOYSA-N 0 3 308.469 3.875 50 0 DHAAHN CCn1c2ccccc2c2cc(CN(C)CCN(C)C)ccc21 ZINC000019832429 182155088 /nfs/dbraw/zinc/15/50/88/182155088.db2.gz LKMBQIHFVOGPTF-UHFFFAOYSA-N 0 3 309.457 3.808 50 0 DHAAHN O=C(C[C@@H]1NCCc2ccccc21)Nc1cccc(Cl)c1 ZINC000020404867 182215135 /nfs/dbraw/zinc/21/51/35/182215135.db2.gz YTWCWCMSJVIGPX-INIZCTEOSA-N 0 3 300.789 3.556 50 0 DHAAHN Clc1ccc(-c2ccc(CN[C@H]3CN4CCC3CC4)o2)cc1 ZINC000020477283 182221893 /nfs/dbraw/zinc/22/18/93/182221893.db2.gz CSURTDXXXYAHNH-KRWDZBQOSA-N 0 3 316.832 3.784 50 0 DHAAHN CC(C)CC[C@@]1(CCN2CCN(C)CC2)CCO[C@@H](C(C)C)C1 ZINC000022931921 182341787 /nfs/dbraw/zinc/34/17/87/182341787.db2.gz IPORIWFJIBWFBV-WOJBJXKFSA-N 0 3 324.553 3.882 50 0 DHAAHN COc1ccc2cc(CNCc3ccc(N(C)C)nc3)ccc2c1 ZINC000042227478 183244924 /nfs/dbraw/zinc/24/49/24/183244924.db2.gz SQRDOZAQYQPQKV-UHFFFAOYSA-N 0 3 321.424 3.599 50 0 DHAAHN CCCCNC(=O)C1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000056284062 184009072 /nfs/dbraw/zinc/00/90/72/184009072.db2.gz PZFSHYAAXYIAND-CQSZACIVSA-N 0 3 306.425 3.515 50 0 DHAAHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000058169742 184084096 /nfs/dbraw/zinc/08/40/96/184084096.db2.gz FUQHGKVGEAGGGG-JYJNAYRXSA-N 0 3 308.425 3.704 50 0 DHAAHN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccccc1 ZINC000058151851 184081335 /nfs/dbraw/zinc/08/13/35/184081335.db2.gz MDQVMYNJNDVBHW-UHFFFAOYSA-N 0 3 305.425 3.838 50 0 DHAAHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000058160744 184082273 /nfs/dbraw/zinc/08/22/73/184082273.db2.gz WOMYCCHEVCKNIG-WDEREUQCSA-N 0 3 322.330 3.782 50 0 DHAAHN CCC[C@@H]1CCCN1C(=O)c1ccc(-c2cc(N)ccn2)cc1 ZINC000426359997 257253150 /nfs/dbraw/zinc/25/31/50/257253150.db2.gz UPGFXDLMLVOWIR-QGZVFWFLSA-N 0 3 309.413 3.736 50 0 DHAAHN CC(C)Oc1ccc([C@@H](C)NCCn2ccnc2)cc1Cl ZINC000284461672 131082843 /nfs/dbraw/zinc/08/28/43/131082843.db2.gz TXOIAXMEJDXCLE-CYBMUJFWSA-N 0 3 307.825 3.675 50 0 DHAAHN C[C@@H](N[C@H](C)c1cc[nH]c(=O)c1)c1ccc(OC(F)F)cc1 ZINC000340450244 131793990 /nfs/dbraw/zinc/79/39/90/131793990.db2.gz PZJVACDAFWAVAI-GHMZBOCLSA-N 0 3 308.328 3.800 50 0 DHAAHN Cc1ccc(C)c(N2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000004981231 134467238 /nfs/dbraw/zinc/46/72/38/134467238.db2.gz SOSROSOPGZRZNB-OAQYLSRUSA-N 0 3 320.480 3.983 50 0 DHAAHN CCN1CCN(c2ccc(NC(=O)CCC(C)C)cc2C)CC1 ZINC000024975375 134661788 /nfs/dbraw/zinc/66/17/88/134661788.db2.gz ZLVURWJKORGRMJ-UHFFFAOYSA-N 0 3 317.477 3.512 50 0 DHAAHN CC(=O)NC(C)(C)C[C@H](C)NC1(c2ccccc2Cl)CC1 ZINC000534574484 334287678 /nfs/dbraw/zinc/28/76/78/334287678.db2.gz WHGIMXVKOAHTCN-LBPRGKRZSA-N 0 3 308.853 3.612 50 0 DHAAHN CN(C)Cc1cccc(C(=O)Nc2ccc3scnc3c2)c1 ZINC000172619680 337130391 /nfs/dbraw/zinc/13/03/91/337130391.db2.gz ITDWZWUPHSJQHZ-UHFFFAOYSA-N 0 3 311.410 3.610 50 0 DHAAHN Cn1c(CN[C@H]2CCC[C@@H]2c2ccccc2)nnc1C1CCC1 ZINC000133668364 337383250 /nfs/dbraw/zinc/38/32/50/337383250.db2.gz WRYWXIHDQRCXCU-SJORKVTESA-N 0 3 310.445 3.509 50 0 DHAAHN CCc1ccccc1NC(=O)C[C@@H](C)NCc1ccsc1 ZINC000089289566 563884008 /nfs/dbraw/zinc/88/40/08/563884008.db2.gz BBYWKWKILHRDLS-CYBMUJFWSA-N 0 3 302.443 3.817 50 0 DHAAHN Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCC1 ZINC000008714081 563349091 /nfs/dbraw/zinc/34/90/91/563349091.db2.gz MHUDYDZAPOYHNU-UHFFFAOYSA-N 0 3 321.218 3.607 50 0 DHAAHN CCOc1c(Cl)cc(CNC[C@H]2CCCO2)cc1Cl ZINC000010474503 563357677 /nfs/dbraw/zinc/35/76/77/563357677.db2.gz RKRFXVCBJPNMJU-LLVKDONJSA-N 0 3 304.217 3.661 50 0 DHAAHN CCCN1CCC(Cc2ccc(Cl)cc2)(C(=O)OCC)CC1 ZINC000015073142 563407133 /nfs/dbraw/zinc/40/71/33/563407133.db2.gz DDDIOEMQHGZTFY-UHFFFAOYSA-N 0 3 323.864 3.938 50 0 DHAAHN CC[C@H](CO)N(Cc1ccsc1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000055308946 563473455 /nfs/dbraw/zinc/47/34/55/563473455.db2.gz OTXDBBTWMXGSOW-OAHLLOKOSA-N 0 3 321.490 3.542 50 0 DHAAHN C[C@@H](CN1CCCC1)OC(=O)c1ccc(Cl)cc1Cl ZINC000000383061 563248157 /nfs/dbraw/zinc/24/81/57/563248157.db2.gz IILDXKCGGVSCJN-JTQLQIEISA-N 0 3 302.201 3.635 50 0 DHAAHN CCOC(=O)CCCCC(=O)c1ccccc1CN1CCCC1 ZINC000002515593 563305994 /nfs/dbraw/zinc/30/59/94/563305994.db2.gz DRTCWRPRZXAXCK-UHFFFAOYSA-N 0 3 317.429 3.589 50 0 DHAAHN Cc1cccc(N2CCN([C@H]3CCc4ccccc4C3)CC2)c1C ZINC000004981319 563328370 /nfs/dbraw/zinc/32/83/70/563328370.db2.gz NVJASHAARYNZFK-NRFANRHFSA-N 0 3 320.480 3.983 50 0 DHAAHN CC[C@H](CO)NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008337110 563345778 /nfs/dbraw/zinc/34/57/78/563345778.db2.gz BUPHVLVYPWTSRP-QGZVFWFLSA-N 0 3 319.832 3.780 50 0 DHAAHN Cc1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062766 563351218 /nfs/dbraw/zinc/35/12/18/563351218.db2.gz WLMZHSQNGZRSSZ-UHFFFAOYSA-N 0 3 308.425 3.846 50 0 DHAAHN COc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010325724 563356277 /nfs/dbraw/zinc/35/62/77/563356277.db2.gz HPEXXDPEAKVBRQ-UHFFFAOYSA-N 0 3 324.424 3.933 50 0 DHAAHN O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2CCCC2)cc1 ZINC000010330740 563356316 /nfs/dbraw/zinc/35/63/16/563356316.db2.gz PFAWFMGDSIDFCJ-UHFFFAOYSA-N 0 3 316.351 3.813 50 0 DHAAHN Cc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000032779522 563393334 /nfs/dbraw/zinc/39/33/34/563393334.db2.gz MUNGABRXYJBQKZ-IBGZPJMESA-N 0 3 323.440 3.954 50 0 DHAAHN CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccccc2)N(C)C)C1(C)C ZINC000032850698 563402940 /nfs/dbraw/zinc/40/29/40/563402940.db2.gz SWGZPHVUDRDBMM-KURKYZTESA-N 0 3 314.473 3.644 50 0 DHAAHN CCOc1ccc(Cl)cc1CNC[C@H](O)c1ccccc1 ZINC000020177108 563417061 /nfs/dbraw/zinc/41/70/61/563417061.db2.gz GMPNZHCBJOEYMZ-INIZCTEOSA-N 0 3 305.805 3.562 50 0 DHAAHN Cc1ccc(-c2cc(N3CCN(C)CC3)c3ccccc3n2)cc1 ZINC000025559392 563423811 /nfs/dbraw/zinc/42/38/11/563423811.db2.gz OQUQTBNZZXQKSI-UHFFFAOYSA-N 0 3 317.436 3.962 50 0 DHAAHN CC(C)CC(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027662524 563429601 /nfs/dbraw/zinc/42/96/01/563429601.db2.gz FLXUPPSIEPRNGJ-HNNXBMFYSA-N 0 3 308.491 3.828 50 0 DHAAHN CC[C@@H](C)N(Cc1ccc(C)o1)C[C@H](O)COc1ccccc1 ZINC000036097738 563454712 /nfs/dbraw/zinc/45/47/12/563454712.db2.gz CQJRVHSQODLXPZ-WBVHZDCISA-N 0 3 317.429 3.628 50 0 DHAAHN CCN1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 ZINC000053993709 563469541 /nfs/dbraw/zinc/46/95/41/563469541.db2.gz FYEUOFXRTURCMC-UHFFFAOYSA-N 0 3 315.467 3.985 50 0 DHAAHN Cc1nc(CN2CCC[C@@H](CCc3ccccc3F)C2)c[nH]1 ZINC000055099339 563471002 /nfs/dbraw/zinc/47/10/02/563471002.db2.gz VDIBEWOICMCGSD-HNNXBMFYSA-N 0 3 301.409 3.702 50 0 DHAAHN Cc1ncc(CN2CCC[C@@H](CCc3ccccc3F)C2)[nH]1 ZINC000055099339 563471003 /nfs/dbraw/zinc/47/10/03/563471003.db2.gz VDIBEWOICMCGSD-HNNXBMFYSA-N 0 3 301.409 3.702 50 0 DHAAHN Cc1ccsc1CN1CCN(c2cc(C)ccc2C)CC1 ZINC000055292074 563473556 /nfs/dbraw/zinc/47/35/56/563473556.db2.gz RLXIFRZSBAPZOO-UHFFFAOYSA-N 0 3 300.471 3.996 50 0 DHAAHN CC[C@@H](C)N(Cc1cccnc1)Cc1ccc2c(c1)OCCO2 ZINC000055413748 563475161 /nfs/dbraw/zinc/47/51/61/563475161.db2.gz WQGMKLDHKJERBB-OAHLLOKOSA-N 0 3 312.413 3.654 50 0 DHAAHN C[C@H]1[C@H](C)N(Cc2ccco2)CC[C@@H]1OC(=O)c1ccccc1 ZINC000004625175 563477878 /nfs/dbraw/zinc/47/78/78/563477878.db2.gz IEDBZMWATZKGIT-MPGHIAIKSA-N 0 3 313.397 3.736 50 0 DHAAHN O[C@@H]1CN(Cc2ccncc2)CC[C@H]1c1ccc2ccccc2c1 ZINC000067691520 563488590 /nfs/dbraw/zinc/48/85/90/563488590.db2.gz FQXQCEISLKQKPB-LEWJYISDSA-N 0 3 318.420 3.585 50 0 DHAAHN C[C@@H]1CC[C@@H](C)N1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067850268 563492360 /nfs/dbraw/zinc/49/23/60/563492360.db2.gz UDUJPTLWWKRZGR-HUUCEWRRSA-N 0 3 306.413 3.769 50 0 DHAAHN Cc1ccc(NC(=O)C2CCN(c3ccncc3)CC2)cc1C ZINC000033128952 563497010 /nfs/dbraw/zinc/49/70/10/563497010.db2.gz QTKLHKLJWHFQDZ-UHFFFAOYSA-N 0 3 309.413 3.554 50 0 DHAAHN CCN(CC)Cc1ccccc1NC(=O)c1csnc1C ZINC000097080365 563504849 /nfs/dbraw/zinc/50/48/49/563504849.db2.gz KDBWDDZBEBHSFN-UHFFFAOYSA-N 0 3 303.431 3.546 50 0 DHAAHN c1cnn(-c2ccc(CN3CCC[C@H]3c3ccncc3)cc2)c1 ZINC000097109561 563506341 /nfs/dbraw/zinc/50/63/41/563506341.db2.gz NMTYGWVWRDMNRL-IBGZPJMESA-N 0 3 304.397 3.604 50 0 DHAAHN CC(=O)c1ccc(CN(C)C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000077391658 563510114 /nfs/dbraw/zinc/51/01/14/563510114.db2.gz GUNWUFMOGFUHQC-IBGZPJMESA-N 0 3 322.452 3.848 50 0 DHAAHN C[C@H](C(=O)N(C)Cc1ccc(Cl)s1)[C@H](N)c1ccccc1 ZINC000130223449 563522929 /nfs/dbraw/zinc/52/29/29/563522929.db2.gz OVVXCPMYEKRURL-NHYWBVRUSA-N 0 3 322.861 3.696 50 0 DHAAHN C[C@@H](Cc1cnccn1)N(C)Cc1ccc(-c2ccco2)cc1 ZINC000097076225 563537862 /nfs/dbraw/zinc/53/78/62/563537862.db2.gz BGLDOBMWMUWEOA-HNNXBMFYSA-N 0 3 307.397 3.800 50 0 DHAAHN c1nc2ccccc2n1CN1CCC(Cc2ccccc2)CC1 ZINC000000193710 563577475 /nfs/dbraw/zinc/57/74/75/563577475.db2.gz STEIURKEUZAMPH-UHFFFAOYSA-N 0 3 305.425 3.949 50 0 DHAAHN CCCOc1ccc(Cl)cc1CNCCOc1ccccn1 ZINC000113395232 563581183 /nfs/dbraw/zinc/58/11/83/563581183.db2.gz BWVYNRZYYSDPDY-UHFFFAOYSA-N 0 3 320.820 3.692 50 0 DHAAHN c1ccc(-c2ccc(CNCCOc3ccccn3)cc2)cc1 ZINC000113396308 563581508 /nfs/dbraw/zinc/58/15/08/563581508.db2.gz VDPPBCSGSRWCKE-UHFFFAOYSA-N 0 3 304.393 3.917 50 0 DHAAHN C[C@H](CN1CCCCC1)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000151859917 563622752 /nfs/dbraw/zinc/62/27/52/563622752.db2.gz YDAQVJHSSZTEDU-NEPJUHHUSA-N 0 3 300.368 3.629 50 0 DHAAHN C[C@@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000105934248 563677506 /nfs/dbraw/zinc/67/75/06/563677506.db2.gz GJZFCXFLSIUPBM-JKSUJKDBSA-N 0 3 314.473 3.617 50 0 DHAAHN CCSc1nnc(SCC[C@H]2CCCCN2C)s1 ZINC000044865559 563685067 /nfs/dbraw/zinc/68/50/67/563685067.db2.gz UJEPMFGTYUSYAE-SNVBAGLBSA-N 0 3 303.522 3.617 50 0 DHAAHN CN(C)c1ccc(CN2CCCC[C@@H]2CCc2ccccn2)cn1 ZINC000216335693 563709251 /nfs/dbraw/zinc/70/92/51/563709251.db2.gz MZVGYCPKNXLDOG-LJQANCHMSA-N 0 3 324.472 3.530 50 0 DHAAHN Cc1ccc([C@@H](C)CCN(C)Cc2n[nH]c3c2CCCC3)o1 ZINC000216445231 563709753 /nfs/dbraw/zinc/70/97/53/563709753.db2.gz PJYMTCHXKQUOHD-ZDUSSCGKSA-N 0 3 301.434 3.816 50 0 DHAAHN CN(C)CCN1c2ccc(Cl)cc2Nc2ccccc2C1=O ZINC000000001176 563739833 /nfs/dbraw/zinc/73/98/33/563739833.db2.gz IDWVKNARDDZONS-UHFFFAOYSA-N 0 3 315.804 3.605 50 0 in-man DHAAHN C[C@H](C1CC1)N(C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000225354539 563752587 /nfs/dbraw/zinc/75/25/87/563752587.db2.gz AMRCHEXOZFYEQS-OLZOCXBDSA-N 0 3 308.853 3.590 50 0 DHAAHN C(c1nnc2n1CCCC2)N1CCCCC[C@@H]1C1CCCCC1 ZINC000242183894 563777874 /nfs/dbraw/zinc/77/78/74/563777874.db2.gz XCTPMNQVBYSZRR-QGZVFWFLSA-N 0 3 316.493 3.939 50 0 DHAAHN CCCNCc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000248148204 563782933 /nfs/dbraw/zinc/78/29/33/563782933.db2.gz IQOAXWBRJJWBSS-UHFFFAOYSA-N 0 3 320.440 3.801 50 0 DHAAHN CCOC1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000052442487 563788067 /nfs/dbraw/zinc/78/80/67/563788067.db2.gz DRWMWDVSYONDMA-UHFFFAOYSA-N 0 3 317.351 3.629 50 0 DHAAHN CCN1CCC[C@@H]1CNCc1cc(Cl)ccc1OC(F)F ZINC000035054721 563808429 /nfs/dbraw/zinc/80/84/29/563808429.db2.gz VFGLOEPKEDQYND-CYBMUJFWSA-N 0 3 318.795 3.515 50 0 DHAAHN COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000012676627 563809455 /nfs/dbraw/zinc/80/94/55/563809455.db2.gz VTEDKHOLAQXKLU-LIRRHRJNSA-N 0 3 324.424 3.763 50 0 DHAAHN Cc1ccccc1[C@@H](NCc1ccc([S@@](C)=O)cc1)C1CC1 ZINC000084234917 563825792 /nfs/dbraw/zinc/82/57/92/563825792.db2.gz BYFYPWOTIFWCAB-UGKGYDQZSA-N 0 3 313.466 3.973 50 0 DHAAHN Cc1nc(N)nc(N)c1/C=C/[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000075279548 563862730 /nfs/dbraw/zinc/86/27/30/563862730.db2.gz KXBLWJBWPHUIPI-IPQKIJNHSA-N 0 3 322.334 3.785 50 0 DHAAHN CN(C)[C@H](CNC(=O)c1ccoc1)c1csc2ccccc21 ZINC000575621497 563868255 /nfs/dbraw/zinc/86/82/55/563868255.db2.gz OUGVVVYCIXGFKL-OAHLLOKOSA-N 0 3 314.410 3.527 50 0 DHAAHN Cc1cccc(C)c1NC(=S)NC[C@H](C)N1CCCC[C@H]1C ZINC000245264698 563881562 /nfs/dbraw/zinc/88/15/62/563881562.db2.gz DUDCZGJOECMPLN-CVEARBPZSA-N 0 3 319.518 3.853 50 0 DHAAHN Cc1cc(-n2ccnc2)ccc1CN(C)[C@@H](C)c1ccccn1 ZINC000192135483 563885512 /nfs/dbraw/zinc/88/55/12/563885512.db2.gz DVGRNXNBNLRHNZ-INIZCTEOSA-N 0 3 306.413 3.769 50 0 DHAAHN C[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCCC1 ZINC000036077116 563892134 /nfs/dbraw/zinc/89/21/34/563892134.db2.gz BYWOVHMCLUFGFJ-INIZCTEOSA-N 0 3 308.425 3.568 50 0 DHAAHN C[C@@H](CO)CN(Cc1ccccc1)Cc1cnc2ccccc2c1 ZINC000055042159 563926118 /nfs/dbraw/zinc/92/61/18/563926118.db2.gz UPYSFZPQWKDHHM-QGZVFWFLSA-N 0 3 320.436 3.865 50 0 DHAAHN c1ccc(OCCCN2CCC(Oc3ccccc3)CC2)cc1 ZINC000064793556 563927543 /nfs/dbraw/zinc/92/75/43/563927543.db2.gz RAKITPHHFXVIAI-UHFFFAOYSA-N 0 3 311.425 3.999 50 0 DHAAHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccccc3)CC[C@H]21 ZINC000114988337 563927865 /nfs/dbraw/zinc/92/78/65/563927865.db2.gz DEZFOMKNEZXHRG-IAGOWNOFSA-N 0 3 316.445 3.518 50 0 DHAAHN Cc1cccc(NC(=O)C2(C)CCN(Cc3ccccc3)CC2)n1 ZINC000096013672 563934820 /nfs/dbraw/zinc/93/48/20/563934820.db2.gz GHNUMUNTCGPNED-UHFFFAOYSA-N 0 3 323.440 3.631 50 0 DHAAHN CN1CCC(OC(=O)[C@@H](c2cccs2)[C@@H]2C=CCCC2)CC1 ZINC000096028037 563935291 /nfs/dbraw/zinc/93/52/91/563935291.db2.gz TUYPAMBSJBATIZ-RHSMWYFYSA-N 0 3 319.470 3.825 50 0 DHAAHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Nc1ccc(Cl)cc1 ZINC000002468607 563938035 /nfs/dbraw/zinc/93/80/35/563938035.db2.gz NRQJUWUODUFPCL-CHWSQXEVSA-N 0 3 309.841 3.724 50 0 DHAAHN Cc1cc(C)c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c(C)c1 ZINC000003194185 563942836 /nfs/dbraw/zinc/94/28/36/563942836.db2.gz CITKQVBWORSVBS-HKUYNNGSSA-N 0 3 313.441 3.702 50 0 DHAAHN CCn1c2ccccc2nc1CN[C@H]1CCc2ccccc2C1 ZINC000008165446 563946992 /nfs/dbraw/zinc/94/69/92/563946992.db2.gz JYTRMNXYAZKBIN-KRWDZBQOSA-N 0 3 305.425 3.703 50 0 DHAAHN CCOc1cc(CN2CCCC2)ccc1Oc1ccc(C)nn1 ZINC000067643604 563949617 /nfs/dbraw/zinc/94/96/17/563949617.db2.gz DNHDEKIUKXPVMK-UHFFFAOYSA-N 0 3 313.401 3.572 50 0 DHAAHN COc1ccc2[nH]c(C)c(CN3CCCC[C@H]3C)c(=O)c2c1 ZINC000008700907 563949694 /nfs/dbraw/zinc/94/96/94/563949694.db2.gz KPVOCIDZKIFLAP-GFCCVEGCSA-N 0 3 300.402 3.632 50 0 DHAAHN CCOc1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1 ZINC000008714097 563949924 /nfs/dbraw/zinc/94/99/24/563949924.db2.gz QFMIEJZUDMBAQQ-UHFFFAOYSA-N 0 3 314.429 3.879 50 0 DHAAHN CCOc1ccc2[nH]c(C)c(CN3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008713988 563949927 /nfs/dbraw/zinc/94/99/27/563949927.db2.gz UQPLCFSKTZPBLJ-CYBMUJFWSA-N 0 3 314.429 3.879 50 0 DHAAHN Cc1cccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)c1 ZINC000069532707 563953396 /nfs/dbraw/zinc/95/33/96/563953396.db2.gz MPRFANJLKRVJFT-UHFFFAOYSA-N 0 3 323.440 3.753 50 0 DHAAHN C[C@H](C(=O)N(C)c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000069699222 563954233 /nfs/dbraw/zinc/95/42/33/563954233.db2.gz WLMRZHOTYMHCHD-AEFFLSMTSA-N 0 3 308.425 3.527 50 0 DHAAHN CN(C)[C@@H](CNC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000010328160 563958579 /nfs/dbraw/zinc/95/85/79/563958579.db2.gz BUADKQDGOCCPMJ-FQEVSTJZSA-N 0 3 318.420 3.873 50 0 DHAAHN Cc1ccc(CN[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000089633228 568420254 /nfs/dbraw/zinc/42/02/54/568420254.db2.gz AOCYPHLCTCQHHF-ZWKOTPCHSA-N 0 3 324.468 3.611 50 0 DHAAHN Cc1cccc2c(N3CC[C@@H](OCc4ccncc4)C3)ccnc12 ZINC000192897819 1032514316 /nfs/dbraw/zinc/51/43/16/1032514316.db2.gz WPNJYVPNZXEFBK-QGZVFWFLSA-N 0 3 319.408 3.734 50 0 DHAAHN CC[C@H](c1ccccc1)N1CCC(CN=S(C)(C)=O)CC1 ZINC000952992662 1032679872 /nfs/dbraw/zinc/67/98/72/1032679872.db2.gz IQUZMNYYWBJRFY-QGZVFWFLSA-N 0 3 308.491 3.577 50 0 DHAAHN CCN1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1(C)C ZINC000823112152 1020396756 /nfs/dbraw/zinc/39/67/56/1020396756.db2.gz JDSGETLJTWJXPE-UHFFFAOYSA-N 0 3 318.358 3.761 50 0 DHAAHN Cc1nc(C(=O)Nc2ccccc2CN2CCCCC2)cs1 ZINC000825317520 1020646034 /nfs/dbraw/zinc/64/60/34/1020646034.db2.gz PWDBRCNFKVLJRK-UHFFFAOYSA-N 0 3 315.442 3.690 50 0 DHAAHN Clc1ccc(-c2nnc(SCCN3CCCC3)o2)cc1 ZINC000096997065 185395783 /nfs/dbraw/zinc/39/57/83/185395783.db2.gz GARINIDRJVRJDI-UHFFFAOYSA-N 0 3 309.822 3.578 50 0 DHAAHN O[C@@H](C[C@H]1CCCCCN1Cc1ccccn1)c1ccco1 ZINC000095413230 185358007 /nfs/dbraw/zinc/35/80/07/185358007.db2.gz RALQCDQKKYIZEJ-SJORKVTESA-N 0 3 300.402 3.543 50 0 DHAAHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(-n3cncn3)cc1)CC2 ZINC000095419443 185359701 /nfs/dbraw/zinc/35/97/01/185359701.db2.gz FTSVKBAMOFXCJD-FOIQADDNSA-N 0 3 318.424 3.914 50 0 DHAAHN COC(=O)CC1(NCc2cc3ccccc3o2)CCCCC1 ZINC000095410426 185357240 /nfs/dbraw/zinc/35/72/40/185357240.db2.gz SHSNLKAWVVHMOQ-UHFFFAOYSA-N 0 3 301.386 3.788 50 0 DHAAHN C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@@H](C)c1cncc(F)c1 ZINC000097022791 185398549 /nfs/dbraw/zinc/39/85/49/185398549.db2.gz XQELPOJZVOKLSL-BWACUDIHSA-N 0 3 306.356 3.523 50 0 DHAAHN CCN(CC)CCSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000095468555 185372235 /nfs/dbraw/zinc/37/22/35/185372235.db2.gz DUCHYHBPYAQHIG-UHFFFAOYSA-N 0 3 311.838 3.824 50 0 DHAAHN CC(C)C(=O)N1CC[C@H](N[C@H](C)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000107058499 185467679 /nfs/dbraw/zinc/46/76/79/185467679.db2.gz AESHEFFZZCIMHS-AHIWAGSCSA-N 0 3 324.415 3.508 50 0 DHAAHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cccc(Br)c1 ZINC000083705087 192379531 /nfs/dbraw/zinc/37/95/31/192379531.db2.gz MRKCJPAPJDNYPQ-XJKSGUPXSA-N 0 3 323.278 3.508 50 0 DHAAHN Cc1cnccc1Cn1ccnc1-c1ccc([C@@H](C)N(C)C)cc1 ZINC000072151532 191055613 /nfs/dbraw/zinc/05/56/13/191055613.db2.gz DHTSEVTWRXHWCG-MRXNPFEDSA-N 0 3 320.440 3.924 50 0 DHAAHN CC(C)=CCC[C@H](C)CN1CCN(Cc2ncccc2C)CC1 ZINC000072158803 191061166 /nfs/dbraw/zinc/06/11/66/191061166.db2.gz CZQXSKMWNRXKJC-SFHVURJKSA-N 0 3 315.505 3.890 50 0 DHAAHN C[C@H](C1CCN(Cc2ccc([O-])c(Cl)c2)CC1)[NH+]1CCCC1 ZINC000072430180 191163362 /nfs/dbraw/zinc/16/33/62/191163362.db2.gz BGSXEPYXWLHMJS-CQSZACIVSA-N 0 3 322.880 3.742 50 0 DHAAHN O[C@@H](CN(c1ccccc1)c1ccccc1)CN1CCCCC1 ZINC000000126997 180701962 /nfs/dbraw/zinc/70/19/62/180701962.db2.gz OBOZOKPRZDQAJO-HXUWFJFHSA-N 0 3 310.441 3.672 50 0 DHAAHN CCCC[C@@H](C(=O)Nc1ccc2c(c1)C[C@@H](C)O2)N(CC)CC ZINC000004063964 181068766 /nfs/dbraw/zinc/06/87/66/181068766.db2.gz VCXCSUROFHCUQZ-PBHICJAKSA-N 0 3 318.461 3.849 50 0 biogenic DHAAHN COc1ccc(N2Cc3ccccc3C3(CCOCC3)C2=N)cc1 ZINC000004640156 181131222 /nfs/dbraw/zinc/13/12/22/181131222.db2.gz PIDULFZWFREYQB-UHFFFAOYSA-N 0 3 322.408 3.741 50 0 DHAAHN COc1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1Cl ZINC000004841706 181161100 /nfs/dbraw/zinc/16/11/00/181161100.db2.gz LZZIUJXMYFZAIZ-CYBMUJFWSA-N 0 3 321.804 3.877 50 0 DHAAHN CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004862833 181164983 /nfs/dbraw/zinc/16/49/83/181164983.db2.gz IUQYLYYXKZJRJM-RZFLPCETSA-N 0 3 307.478 3.676 50 0 DHAAHN Nc1ccc2nc(CCCc3nc4ccccc4s3)[nH]c2c1 ZINC000004937168 181175683 /nfs/dbraw/zinc/17/56/83/181175683.db2.gz LSGOWPVKLSLGOC-UHFFFAOYSA-N 0 3 308.410 3.930 50 0 DHAAHN CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 ZINC000005047889 181196395 /nfs/dbraw/zinc/19/63/95/181196395.db2.gz VRVZELVHQKOTEG-UHFFFAOYSA-N 0 3 316.232 3.551 50 0 DHAAHN COc1cc(CNCc2ccc(Cl)cc2)cc(OC)c1OC ZINC000006085959 181311515 /nfs/dbraw/zinc/31/15/15/181311515.db2.gz JGOUJKBEBSJRDX-UHFFFAOYSA-N 0 3 321.804 3.656 50 0 DHAAHN CCN1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006583920 181357023 /nfs/dbraw/zinc/35/70/23/181357023.db2.gz WWCFMRNUFNYICJ-LLVKDONJSA-N 0 3 316.232 3.599 50 0 DHAAHN O=C(Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000006730395 181378405 /nfs/dbraw/zinc/37/84/05/181378405.db2.gz XDMDESGUHBKKJZ-UHFFFAOYSA-N 0 3 321.852 3.822 50 0 DHAAHN Cc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1C ZINC000006731182 181378970 /nfs/dbraw/zinc/37/89/70/181378970.db2.gz IOPDAHMINQBULY-UHFFFAOYSA-N 0 3 315.461 3.786 50 0 DHAAHN C[C@]12CC3CC(C(=O)NCCN4CCCCC4)(C1)C[C@@](C)(C3)C2 ZINC000006741443 181380463 /nfs/dbraw/zinc/38/04/63/181380463.db2.gz FDCYMUCMJNOQSZ-JUNHRQJPSA-N 0 3 318.505 3.585 50 0 DHAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccccc1 ZINC000006784919 181387508 /nfs/dbraw/zinc/38/75/08/181387508.db2.gz FCOPCOHZETWKTQ-UHFFFAOYSA-N 0 3 309.388 3.918 50 0 DHAAHN O=C(Nc1cccc2ccccc21)NC1CCN(C2CC2)CC1 ZINC000011008428 181683581 /nfs/dbraw/zinc/68/35/81/181683581.db2.gz CJNXWUGTFZCOAJ-UHFFFAOYSA-N 0 3 309.413 3.588 50 0 DHAAHN COC(=O)c1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837129 182020494 /nfs/dbraw/zinc/02/04/94/182020494.db2.gz YNBXRJRBPVHRJA-SFHVURJKSA-N 0 3 313.372 3.949 50 0 DHAAHN Cc1ccc(Cl)c(OCCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247451 182038838 /nfs/dbraw/zinc/03/88/38/182038838.db2.gz MOVOREHDXHWCSR-GASCZTMLSA-N 0 3 311.853 3.917 50 0 DHAAHN O=C(Nc1ccccc1F)C1CCN(Cc2ccccc2)CC1 ZINC000016607554 182053643 /nfs/dbraw/zinc/05/36/43/182053643.db2.gz YUEUDPHPMWDTTI-UHFFFAOYSA-N 0 3 312.388 3.676 50 0 DHAAHN O=C(NCCN1CCCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000017053641 182071755 /nfs/dbraw/zinc/07/17/55/182071755.db2.gz ZUSZCKXLJFEAHD-UHFFFAOYSA-N 0 3 316.232 3.601 50 0 DHAAHN COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(C)c1C ZINC000019537177 182128848 /nfs/dbraw/zinc/12/88/48/182128848.db2.gz NYBLKYCSHXNYCD-UHFFFAOYSA-N 0 3 324.468 3.630 50 0 DHAAHN COc1cc(C)c(CN2CCN(Cc3ccccc3)CC2)cc1C ZINC000019537293 182129411 /nfs/dbraw/zinc/12/94/11/182129411.db2.gz WGSNNJASZATBIN-UHFFFAOYSA-N 0 3 324.468 3.630 50 0 DHAAHN CN(C)CCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000019691200 182137607 /nfs/dbraw/zinc/13/76/07/182137607.db2.gz NPYXWOFYAZTRIR-UHFFFAOYSA-N 0 3 318.848 3.570 50 0 DHAAHN CN(C)CCOc1ccccc1-c1cccc(-c2cc[nH]n2)c1 ZINC000019741393 182141857 /nfs/dbraw/zinc/14/18/57/182141857.db2.gz URBJEUDAOYKAKU-UHFFFAOYSA-N 0 3 307.397 3.684 50 0 DHAAHN CN1CCN([C@H]2Cc3ccccc3Sc3ccccc32)CC1 ZINC000019801868 182152043 /nfs/dbraw/zinc/15/20/43/182152043.db2.gz MYFNXITXHNLSJY-KRWDZBQOSA-N 0 3 310.466 3.682 50 0 DHAAHN Oc1cccc([C@H](O)CNCc2ccc(-c3ccccc3)cc2)c1 ZINC000019871827 182158833 /nfs/dbraw/zinc/15/88/33/182158833.db2.gz UECKKYNEEBRMIL-OAQYLSRUSA-N 0 3 319.404 3.882 50 0 DHAAHN Oc1cccc([C@H](O)CNCc2ccc(Cl)cc2Cl)c1 ZINC000019871706 182159150 /nfs/dbraw/zinc/15/91/50/182159150.db2.gz FDMOJDWENIPPIZ-OAHLLOKOSA-N 0 3 312.196 3.522 50 0 DHAAHN Oc1cccc([C@@H](O)CNCc2ccc(-c3ccccc3)cc2)c1 ZINC000019871825 182159243 /nfs/dbraw/zinc/15/92/43/182159243.db2.gz UECKKYNEEBRMIL-NRFANRHFSA-N 0 3 319.404 3.882 50 0 DHAAHN COc1cccc2c1OC[C@H](NCc1cc3ccccc3o1)C2 ZINC000020514791 182226439 /nfs/dbraw/zinc/22/64/39/182226439.db2.gz AZPSQKUNHQZFNF-OAHLLOKOSA-N 0 3 309.365 3.535 50 0 DHAAHN Cc1scc(CN2CCN(Cc3ccccc3)CC2)c1C ZINC000020514347 182226846 /nfs/dbraw/zinc/22/68/46/182226846.db2.gz ZCOLKOHNFCGQIG-UHFFFAOYSA-N 0 3 300.471 3.683 50 0 DHAAHN CCCCN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000022078838 182308305 /nfs/dbraw/zinc/30/83/05/182308305.db2.gz PWGKZFRCSNUVMF-YOEHRIQHSA-N 0 3 316.445 3.603 50 0 DHAAHN Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1C ZINC000022463309 182322076 /nfs/dbraw/zinc/32/20/76/182322076.db2.gz BRSGPNFMXHZYJV-FQEVSTJZSA-N 0 3 322.452 3.870 50 0 DHAAHN O=C(CCc1ccccc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029177339 182555096 /nfs/dbraw/zinc/55/50/96/182555096.db2.gz ZQQUWHWNASOVKL-FQEVSTJZSA-N 0 3 322.452 3.573 50 0 DHAAHN CC[C@H](c1ccc(Cl)cc1)N1CCC(CNC(C)=O)CC1 ZINC000057862081 184058453 /nfs/dbraw/zinc/05/84/53/184058453.db2.gz LHLLPNSIRHWJSK-QGZVFWFLSA-N 0 3 308.853 3.639 50 0 DHAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CC(C)(C)C ZINC000060847805 184156976 /nfs/dbraw/zinc/15/69/76/184156976.db2.gz RLPJXNQNQYXKHE-WBVHZDCISA-N 0 3 300.446 3.566 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@]2(C=Cc3ccccc3O2)CC1 ZINC000065395262 184335539 /nfs/dbraw/zinc/33/55/39/184335539.db2.gz PWFYKTXTSJRMBV-IBGZPJMESA-N 0 3 309.413 3.549 50 0 DHAAHN CC[S@](=O)[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1F ZINC000241739109 256603971 /nfs/dbraw/zinc/60/39/71/256603971.db2.gz RACIXPNHACUEFU-SXGZJXTBSA-N 0 3 317.857 3.649 50 0 DHAAHN C[C@@H]1[C@H](C)N(Cc2ccco2)CC[C@@H]1OC(=O)c1ccccc1 ZINC000004687085 257267623 /nfs/dbraw/zinc/26/76/23/257267623.db2.gz IEDBZMWATZKGIT-VKJFTORMSA-N 0 3 313.397 3.736 50 0 DHAAHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nnc(Cc2ccccc2)o1 ZINC000071911978 184901920 /nfs/dbraw/zinc/90/19/20/184901920.db2.gz JMYNPIRIZRDSJX-PVAVHDDUSA-N 0 3 311.429 3.813 50 0 DHAAHN COc1ccc(CNCc2cccc(Br)c2)cc1 ZINC000000172206 563227428 /nfs/dbraw/zinc/22/74/28/563227428.db2.gz FKKISYMHVXVKJI-UHFFFAOYSA-N 0 3 306.203 3.748 50 0 DHAAHN COc1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000000172188 563227450 /nfs/dbraw/zinc/22/74/50/563227450.db2.gz ZXLVQDYGDDWXQR-UHFFFAOYSA-N 0 3 306.203 3.748 50 0 DHAAHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(F)cc1 ZINC000000383055 563247998 /nfs/dbraw/zinc/24/79/98/563247998.db2.gz YWFIXCGNWMHCTQ-AWEZNQCLSA-N 0 3 301.361 3.503 50 0 DHAAHN O[C@@H](CNCc1ccco1)Cn1c2ccccc2c2ccccc21 ZINC000002293278 563302274 /nfs/dbraw/zinc/30/22/74/563302274.db2.gz PWDXMUGOYSJNDS-HNNXBMFYSA-N 0 3 320.392 3.538 50 0 DHAAHN CCOC(=O)CCCCC(=O)c1ccc(CN2CCCC2)cc1 ZINC000002514598 563305220 /nfs/dbraw/zinc/30/52/20/563305220.db2.gz AOWSJRVVAUCUBN-UHFFFAOYSA-N 0 3 317.429 3.589 50 0 DHAAHN CN(C)CCOCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002824117 563314307 /nfs/dbraw/zinc/31/43/07/563314307.db2.gz CMXRCYUGRLXSHQ-UHFFFAOYSA-N 0 3 312.624 3.604 50 0 DHAAHN C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000002828249 563314368 /nfs/dbraw/zinc/31/43/68/563314368.db2.gz OGBRPHXDDFDNKN-QGZVFWFLSA-N 0 3 322.452 3.776 50 0 DHAAHN Cc1ccc(C)c(N2CCN([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000004981232 563328257 /nfs/dbraw/zinc/32/82/57/563328257.db2.gz SOSROSOPGZRZNB-NRFANRHFSA-N 0 3 320.480 3.983 50 0 DHAAHN CCOCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540947 563339400 /nfs/dbraw/zinc/33/94/00/563339400.db2.gz YOVANIXPRNACFF-AWEZNQCLSA-N 0 3 303.402 3.516 50 0 DHAAHN Cc1ccc(-c2nc(CN3CCC[C@H]3C(C)(C)O)cs2)cc1 ZINC000119060686 563342459 /nfs/dbraw/zinc/34/24/59/563342459.db2.gz SLQGKRUGIJXZCA-INIZCTEOSA-N 0 3 316.470 3.854 50 0 DHAAHN COc1cccc(CNC(C)C)c1OCc1ccccc1F ZINC000010435879 563356573 /nfs/dbraw/zinc/35/65/73/563356573.db2.gz DALRDKHQOQMEBZ-UHFFFAOYSA-N 0 3 303.377 3.911 50 0 DHAAHN OCC1(Cc2ccccc2)CCN(Cc2cccc(F)c2)CC1 ZINC000012706388 563372482 /nfs/dbraw/zinc/37/24/82/563372482.db2.gz OZVGYTARDUNCIN-UHFFFAOYSA-N 0 3 313.416 3.643 50 0 DHAAHN C[C@H]1CCCCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000013135395 563379046 /nfs/dbraw/zinc/37/90/46/563379046.db2.gz SZXXXOBSIGXURT-WCQYABFASA-N 0 3 318.244 3.608 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000015070997 563406716 /nfs/dbraw/zinc/40/67/16/563406716.db2.gz KAALEHBGCAADDQ-HNNXBMFYSA-N 0 3 319.399 3.841 50 0 DHAAHN COc1ccc(-c2nnc([C@@H](C)N3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000025507890 563423608 /nfs/dbraw/zinc/42/36/08/563423608.db2.gz QCBYCAKLDSMCBZ-HZSPNIEDSA-N 0 3 315.417 3.784 50 0 DHAAHN CC(C)[C@H](C)N(CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000026670120 563426694 /nfs/dbraw/zinc/42/66/94/563426694.db2.gz URVBNQAKOGENGQ-NSHDSACASA-N 0 3 312.816 3.927 50 0 DHAAHN Cc1ccc([C@H](CNC(=O)c2ccccc2)N2CCCCC2)cc1 ZINC000027581867 563428763 /nfs/dbraw/zinc/42/87/63/563428763.db2.gz JQMBMAIUENZUJR-FQEVSTJZSA-N 0 3 322.452 3.952 50 0 DHAAHN CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000027793093 563430298 /nfs/dbraw/zinc/43/02/98/563430298.db2.gz GRJACNMGYWJFSY-SFHVURJKSA-N 0 3 302.462 3.684 50 0 DHAAHN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000028292014 563431745 /nfs/dbraw/zinc/43/17/45/563431745.db2.gz BOGSOCYYADMCRF-LJQANCHMSA-N 0 3 308.425 3.644 50 0 DHAAHN CCC(=O)Nc1ccc([C@@H](C)NCc2cccc(OC)c2)cc1 ZINC000030640280 563437799 /nfs/dbraw/zinc/43/77/99/563437799.db2.gz MVZIDGWFXCROOY-CQSZACIVSA-N 0 3 312.413 3.895 50 0 DHAAHN CC(C)[C@H](C)N(Cc1ccco1)Cc1cccc(OCCO)c1 ZINC000055270444 563473541 /nfs/dbraw/zinc/47/35/41/563473541.db2.gz WOOWASBKCIMNAW-INIZCTEOSA-N 0 3 317.429 3.697 50 0 DHAAHN CC[C@H](C)c1cc(C(=O)Nc2ccc(CN(C)C)cc2)on1 ZINC000096423574 563481878 /nfs/dbraw/zinc/48/18/78/563481878.db2.gz FGEGUZKSSHQODX-LBPRGKRZSA-N 0 3 301.390 3.502 50 0 DHAAHN Cc1nc(C)c(CN[C@@H](C)C[C@H](O)c2ccc(F)cc2)s1 ZINC000096486372 563484974 /nfs/dbraw/zinc/48/49/74/563484974.db2.gz ZATPWJOVCLIQBD-BONVTDFDSA-N 0 3 308.422 3.501 50 0 DHAAHN Cc1nc(CN)cc(N(C)[C@H](C)c2cccc3ccccc32)n1 ZINC000067805611 563491634 /nfs/dbraw/zinc/49/16/34/563491634.db2.gz VEQIGEKBQLVHII-CYBMUJFWSA-N 0 3 306.413 3.594 50 0 DHAAHN C[C@]1(C(c2ccccc2)c2ccccc2)NCCc2nc[nH]c21 ZINC000067842453 563492054 /nfs/dbraw/zinc/49/20/54/563492054.db2.gz NEKRMRIRZFNVPJ-HXUWFJFHSA-N 0 3 303.409 3.603 50 0 DHAAHN COc1cc(Oc2ccc(Cl)nn2)ccc1CN1CCCC1 ZINC000067920592 563493371 /nfs/dbraw/zinc/49/33/71/563493371.db2.gz IEIFOHKIWCHEMA-UHFFFAOYSA-N 0 3 319.792 3.527 50 0 DHAAHN FC(F)(F)c1ccc(-c2n[nH]c3c2CN(CC2CC2)CC3)cc1 ZINC000067981652 563494263 /nfs/dbraw/zinc/49/42/63/563494263.db2.gz BBRQXZMWSUUMBQ-UHFFFAOYSA-N 0 3 321.346 3.864 50 0 DHAAHN FC(F)(F)c1ccccc1CN1CCC[C@@H](Cn2ccnc2)C1 ZINC000097600955 563540095 /nfs/dbraw/zinc/54/00/95/563540095.db2.gz KTSCPIDAKUNRMB-CQSZACIVSA-N 0 3 323.362 3.814 50 0 DHAAHN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2[nH]cnc2C)cc1 ZINC000102593117 563559857 /nfs/dbraw/zinc/55/98/57/563559857.db2.gz SSKDLUUTQOEJOG-BJWYYQGGSA-N 0 3 311.429 3.637 50 0 DHAAHN O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCCCC1 ZINC000000212200 563578656 /nfs/dbraw/zinc/57/86/56/563578656.db2.gz YJIJWKMUBGQTJC-INIZCTEOSA-N 0 3 320.864 3.565 50 0 DHAAHN CC(C)=CCC[C@H](C)CN1CCc2nnc(C(C)C)n2CC1 ZINC000011967771 563602838 /nfs/dbraw/zinc/60/28/38/563602838.db2.gz OOTPWYZBVDWKEW-INIZCTEOSA-N 0 3 304.482 3.642 50 0 DHAAHN c1ccc2c(c1)OC1(CCC1)C[C@H]2NCCN1CCCCC1 ZINC000128261852 563605334 /nfs/dbraw/zinc/60/53/34/563605334.db2.gz FWZFXCLHMZAPDY-QGZVFWFLSA-N 0 3 300.446 3.508 50 0 DHAAHN CCN(C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000048286884 563694707 /nfs/dbraw/zinc/69/47/07/563694707.db2.gz SMSPZZLTZYZTNL-HXUWFJFHSA-N 0 3 322.452 3.747 50 0 DHAAHN CCOc1ccc(-c2ccc(CN3CCC[C@H](O)CC3)o2)cc1 ZINC000215106570 563704697 /nfs/dbraw/zinc/70/46/97/563704697.db2.gz OZAXQNKZWSUJRJ-INIZCTEOSA-N 0 3 315.413 3.692 50 0 DHAAHN Cc1noc(C)c1[C@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 ZINC000215100657 563704764 /nfs/dbraw/zinc/70/47/64/563704764.db2.gz BOANAYBNRUKTEH-GOSISDBHSA-N 0 3 322.412 3.814 50 0 DHAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccsc1 ZINC000216346940 563709130 /nfs/dbraw/zinc/70/91/30/563709130.db2.gz JLTNRBBPRXLELE-KRWDZBQOSA-N 0 3 314.454 3.705 50 0 DHAAHN Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000007696783 563716906 /nfs/dbraw/zinc/71/69/06/563716906.db2.gz JRNMUUJLJMIRQJ-UHFFFAOYSA-N 0 3 322.452 3.911 50 0 DHAAHN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccc([S@@](C)=O)cc1 ZINC000221893765 563723991 /nfs/dbraw/zinc/72/39/91/563723991.db2.gz BBRREWZPCAPMSZ-BPGAAWKESA-N 0 3 317.429 3.901 50 0 DHAAHN Cn1nccc1CCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000242242299 563778054 /nfs/dbraw/zinc/77/80/54/563778054.db2.gz XTQUIJLMIDWNBL-IBGZPJMESA-N 0 3 308.429 3.671 50 0 DHAAHN CCn1nc(CNCCC2=CCCCC2)c(-c2ccccc2)n1 ZINC000249696878 563783431 /nfs/dbraw/zinc/78/34/31/563783431.db2.gz UAVQRHKNFPJEKU-UHFFFAOYSA-N 0 3 310.445 3.945 50 0 DHAAHN COc1ccc([C@H](NCc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000032124098 563811567 /nfs/dbraw/zinc/81/15/67/563811567.db2.gz UDAWBYPLNRJPMH-LJQANCHMSA-N 0 3 313.397 3.911 50 0 biogenic DHAAHN C[C@H]1CCC(C)(C)N1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000662020572 563830802 /nfs/dbraw/zinc/83/08/02/563830802.db2.gz TWVMXSMKWPBYHJ-INIZCTEOSA-N 0 3 314.473 3.688 50 0 DHAAHN CN(C)c1ccncc1CN[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000185212408 563837331 /nfs/dbraw/zinc/83/73/31/563837331.db2.gz PCQHALIQVZPCII-MRXNPFEDSA-N 0 3 311.429 3.540 50 0 DHAAHN C/C(=C\Cc1c(C)nc(N)nc1N)c1ccc(Cl)c(Cl)c1 ZINC000075273399 563862182 /nfs/dbraw/zinc/86/21/82/563862182.db2.gz YEEIFOVOJGLXNO-FPYGCLRLSA-N 0 3 323.227 3.902 50 0 DHAAHN CO[C@H](CN[C@H](C)c1cnc(C)nc1C)c1ccccc1Cl ZINC000090453403 563870530 /nfs/dbraw/zinc/87/05/30/563870530.db2.gz JRVXACUDALASGE-PIGZYNQJSA-N 0 3 319.836 3.785 50 0 DHAAHN CCCCN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000229664550 563870919 /nfs/dbraw/zinc/87/09/19/563870919.db2.gz PWGKZFRCSNUVMF-PBHICJAKSA-N 0 3 316.445 3.603 50 0 DHAAHN CC(C)N1CC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000170595071 563906971 /nfs/dbraw/zinc/90/69/71/563906971.db2.gz VIBYLWFRYUJCFY-SNVBAGLBSA-N 0 3 307.747 3.648 50 0 DHAAHN Cc1ccc(CN(C[C@@H](O)COc2ccccc2C)C(C)C)o1 ZINC000036097719 563892952 /nfs/dbraw/zinc/89/29/52/563892952.db2.gz WDCREZQDKIUQND-QGZVFWFLSA-N 0 3 317.429 3.547 50 0 DHAAHN CCCN(Cc1cccs1)C[C@H](O)COCc1ccccc1 ZINC000036096615 563893570 /nfs/dbraw/zinc/89/35/70/563893570.db2.gz YXEISEMAYRVOJO-KRWDZBQOSA-N 0 3 319.470 3.538 50 0 DHAAHN CCC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1OC ZINC000036102774 563893699 /nfs/dbraw/zinc/89/36/99/563893699.db2.gz FCUVMQURXKWLPW-LJQANCHMSA-N 0 3 313.441 3.858 50 0 DHAAHN CC(C)N(Cc1cccs1)C[C@@H](O)COCc1ccccc1 ZINC000036103353 563894471 /nfs/dbraw/zinc/89/44/71/563894471.db2.gz ODUNOJLHYWADCI-QGZVFWFLSA-N 0 3 319.470 3.536 50 0 DHAAHN C[C@@H](NC(=O)CN1CCC[C@H](C)C1)c1cccc2ccccc21 ZINC000036422069 563899237 /nfs/dbraw/zinc/89/92/37/563899237.db2.gz PMKGCAPOHFZFLU-JKSUJKDBSA-N 0 3 310.441 3.749 50 0 DHAAHN CCc1ccc(CNC(=O)C[C@H](c2ccccc2)N(C)C)s1 ZINC000170614576 563908416 /nfs/dbraw/zinc/90/84/16/563908416.db2.gz IDCSVKOSOCNXGC-QGZVFWFLSA-N 0 3 316.470 3.620 50 0 DHAAHN Cc1cc(C)cc(NC(=S)NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000252457270 563915145 /nfs/dbraw/zinc/91/51/45/563915145.db2.gz SCSLOYNFQURBCX-CVEARBPZSA-N 0 3 319.518 3.853 50 0 DHAAHN CN(C)Cc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000054572288 563916018 /nfs/dbraw/zinc/91/60/18/563916018.db2.gz XXPBXKFCQSNFBH-UHFFFAOYSA-N 0 3 321.380 3.656 50 0 DHAAHN Cc1ccc(CN[C@H](C)c2cnn(-c3ccccn3)c2C)s1 ZINC000095420459 563931441 /nfs/dbraw/zinc/93/14/41/563931441.db2.gz BUMMUXAGCREJGP-CYBMUJFWSA-N 0 3 312.442 3.796 50 0 DHAAHN COc1ccc([C@@H](O)CN[C@@H]2CC(C)(C)Cc3occc32)cc1 ZINC000095967216 563932960 /nfs/dbraw/zinc/93/29/60/563932960.db2.gz KYCWPILOBLKWQK-SJORKVTESA-N 0 3 315.413 3.625 50 0 DHAAHN c1cnc2c(c1)cccc2NC1CCN(Cc2ccncc2)CC1 ZINC000095990454 563934072 /nfs/dbraw/zinc/93/40/72/563934072.db2.gz AXQSVZKZSBTKCP-UHFFFAOYSA-N 0 3 318.424 3.706 50 0 DHAAHN Cc1cc(CNCc2cccc(-c3nc[nH]n3)c2)ccc1Cl ZINC000096002092 563934666 /nfs/dbraw/zinc/93/46/66/563934666.db2.gz YMMDTMXISZEPSB-UHFFFAOYSA-N 0 3 312.804 3.723 50 0 DHAAHN C[C@@H](NC[C@@]1(CCO)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000096493448 563937372 /nfs/dbraw/zinc/93/73/72/563937372.db2.gz GVEBJMUZFXQCTI-SJKOYZFVSA-N 0 3 323.820 3.526 50 0 DHAAHN Cn1cc(CN[C@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000097159739 563937783 /nfs/dbraw/zinc/93/77/83/563937783.db2.gz JGHYNKOZUADUHI-IBGZPJMESA-N 0 3 318.424 3.649 50 0 DHAAHN C[S@@](=O)c1ccc(CN2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000230203005 563942171 /nfs/dbraw/zinc/94/21/71/563942171.db2.gz NFNSDAMWQCWVPB-WIYYLYMNSA-N 0 3 303.471 3.746 50 0 DHAAHN CN(Cc1ccc2ncccc2c1)C1CSCCSC1 ZINC000670436534 563943489 /nfs/dbraw/zinc/94/34/89/563943489.db2.gz BMYSRDXCIUZPRS-UHFFFAOYSA-N 0 3 304.484 3.515 50 0 DHAAHN CO[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(F)(F)F)c(F)c1 ZINC000670461327 563945454 /nfs/dbraw/zinc/94/54/54/563945454.db2.gz ZWJSLGHCWRHHID-ITGUQSILSA-N 0 3 317.326 3.986 50 0 DHAAHN O=C(CCN1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1Cl ZINC000069489806 563953236 /nfs/dbraw/zinc/95/32/36/563953236.db2.gz ZCDOTDFLIKKUMY-MRXNPFEDSA-N 0 3 317.820 3.834 50 0 DHAAHN 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DHAAHN Cc1ccc(CN(CCN2CCCC2)Cc2ccc(C)o2)o1 ZINC000022579083 563419226 /nfs/dbraw/zinc/41/92/26/563419226.db2.gz AUSUMZBOHCXCNA-UHFFFAOYSA-N 0 3 302.418 3.587 50 0 DHAAHN CC(C)[C@@H](C)N(CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000026670116 563426805 /nfs/dbraw/zinc/42/68/05/563426805.db2.gz URVBNQAKOGENGQ-LLVKDONJSA-N 0 3 312.816 3.927 50 0 DHAAHN Cc1ccc([C@@H](CNC(=O)c2ccccc2)N2CCCCC2)cc1 ZINC000027581862 563428846 /nfs/dbraw/zinc/42/88/46/563428846.db2.gz JQMBMAIUENZUJR-HXUWFJFHSA-N 0 3 322.452 3.952 50 0 DHAAHN Cc1cccc(CNC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000072286242 563435398 /nfs/dbraw/zinc/43/53/98/563435398.db2.gz HNPATLBIHINLLR-INIZCTEOSA-N 0 3 306.450 3.634 50 0 DHAAHN Cc1noc(C)c1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825171 563435956 /nfs/dbraw/zinc/43/59/56/563435956.db2.gz JSVOPBFKMDIVSQ-AWEZNQCLSA-N 0 3 311.385 3.812 50 0 DHAAHN COc1ccc([C@@H]2CCCCCN2Cc2cn(C)nc2C)cc1 ZINC000033087102 563444227 /nfs/dbraw/zinc/44/42/27/563444227.db2.gz RTJRKSPWBGKHDR-IBGZPJMESA-N 0 3 313.445 3.854 50 0 DHAAHN Cc1ccc2c(c1)Sc1ccccc1C[C@H]2N1CCN(C)CC1 ZINC000033886456 563446395 /nfs/dbraw/zinc/44/63/95/563446395.db2.gz ANCXKMUBJDEPRX-GOSISDBHSA-N 0 3 324.493 3.991 50 0 DHAAHN COc1ccccc1/C=C/CN(C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055060993 563471141 /nfs/dbraw/zinc/47/11/41/563471141.db2.gz FTCIOEHKIZUAQY-LKUPDRCFSA-N 0 3 310.441 3.975 50 0 DHAAHN Oc1cc(-c2cccnc2)cc2c1OCCN(C1CCCC1)C2 ZINC000067675800 563488500 /nfs/dbraw/zinc/48/85/00/563488500.db2.gz IWMIATSKPVASTC-UHFFFAOYSA-N 0 3 310.397 3.591 50 0 DHAAHN CCOCCN1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067675581 563488823 /nfs/dbraw/zinc/48/88/23/563488823.db2.gz QRAGVIGHIXRIMK-UHFFFAOYSA-N 0 3 321.424 3.625 50 0 DHAAHN CC(=O)Oc1c(C)cc(CN(C)[C@@H](C)c2ccncc2)cc1C ZINC000067771006 563490809 /nfs/dbraw/zinc/49/08/09/563490809.db2.gz KQINZVLBTPNRDK-HNNXBMFYSA-N 0 3 312.413 3.817 50 0 DHAAHN COc1cc(Oc2ccccc2CN(C)C)cc(OC)c1OC ZINC000067894150 563493325 /nfs/dbraw/zinc/49/33/25/563493325.db2.gz OFWFWHDLYRDXPK-UHFFFAOYSA-N 0 3 317.385 3.566 50 0 DHAAHN C[C@H](CC(C)(C)c1ccccc1)NC(=O)CC1CCN(C)CC1 ZINC000071375571 563499026 /nfs/dbraw/zinc/49/90/26/563499026.db2.gz PJBMMEVGNHXLNB-MRXNPFEDSA-N 0 3 316.489 3.591 50 0 DHAAHN FC(F)(F)c1cccnc1CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000097034998 563504328 /nfs/dbraw/zinc/50/43/28/563504328.db2.gz PSEFAMJHVCYWPT-UKRRQHHQSA-N 0 3 324.350 3.570 50 0 DHAAHN CC(C)C[C@H](O)C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000077525332 563511785 /nfs/dbraw/zinc/51/17/85/563511785.db2.gz UOIXASJWMBDLEN-IBGZPJMESA-N 0 3 300.446 3.787 50 0 DHAAHN CN(C)Cc1ccnc(NCc2cccc(-c3ccncc3)c2)c1 ZINC000097045293 563517678 /nfs/dbraw/zinc/51/76/78/563517678.db2.gz OUFDAKXEVNPBQP-UHFFFAOYSA-N 0 3 318.424 3.817 50 0 DHAAHN Cc1cc(N2CCC[C@@H](c3nccn3C)C2)c2ccccc2n1 ZINC000082087694 563518652 /nfs/dbraw/zinc/51/86/52/563518652.db2.gz ZEEOEGLKUISJFY-OAHLLOKOSA-N 0 3 306.413 3.661 50 0 DHAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000095379832 563529765 /nfs/dbraw/zinc/52/97/65/563529765.db2.gz XEYJBNYSBVSDCM-BGYRXZFFSA-N 0 3 324.468 3.711 50 0 DHAAHN C[C@H](Cc1cnccn1)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000097609957 563540154 /nfs/dbraw/zinc/54/01/54/563540154.db2.gz WYFBYLABXGWHLQ-GFCCVEGCSA-N 0 3 309.335 3.558 50 0 DHAAHN c1nn(CCN2CCc3ccccc3C2)cc1-c1ccccc1 ZINC000075105626 563604466 /nfs/dbraw/zinc/60/44/66/563604466.db2.gz MBHPJBAIOSWAEM-UHFFFAOYSA-N 0 3 303.409 3.608 50 0 DHAAHN O=C(COc1ccccc1)Nc1ccc(CN2CCCCC2)cc1 ZINC000000528391 563629864 /nfs/dbraw/zinc/62/98/64/563629864.db2.gz NPEHZTLUXMYGJZ-UHFFFAOYSA-N 0 3 324.424 3.690 50 0 DHAAHN COc1ccc(-c2ccccc2)cc1NC(=O)C1=CCN(C)CC1 ZINC000018192583 563652915 /nfs/dbraw/zinc/65/29/15/563652915.db2.gz PEJKOSNYXXKSHA-UHFFFAOYSA-N 0 3 322.408 3.563 50 0 DHAAHN FC(F)(F)[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000048310017 563695743 /nfs/dbraw/zinc/69/57/43/563695743.db2.gz QIVCHQICYGERAD-CQSZACIVSA-N 0 3 309.335 3.647 50 0 DHAAHN Cc1cc(C)c(CNCc2cccc(N3CCOC3=O)c2)c(C)c1 ZINC000048355033 563697381 /nfs/dbraw/zinc/69/73/81/563697381.db2.gz UDJQPZJOXGOQAO-UHFFFAOYSA-N 0 3 324.424 3.858 50 0 DHAAHN CC(C)[C@H](NCc1ccn(C)c(=O)c1)c1ccc(Cl)cc1 ZINC000048374918 563697911 /nfs/dbraw/zinc/69/79/11/563697911.db2.gz DJYSXOGOMLJHKB-KRWDZBQOSA-N 0 3 304.821 3.526 50 0 DHAAHN Cc1noc(C)c1CN1CCC(c2nc3ccccc3n2C)CC1 ZINC000215233884 563704185 /nfs/dbraw/zinc/70/41/85/563704185.db2.gz OHHRCFRITBUIGQ-UHFFFAOYSA-N 0 3 324.428 3.558 50 0 DHAAHN CCc1ncc(CN2CCC3(C=Cc4ccccc43)CC2)cn1 ZINC000215138704 563704513 /nfs/dbraw/zinc/70/45/13/563704513.db2.gz PYWZYJSJPNUSRB-UHFFFAOYSA-N 0 3 305.425 3.600 50 0 DHAAHN CC(=O)c1cc(CN2CCC[C@H](c3ccccc3)CC2)n(C)c1 ZINC000215757017 563706920 /nfs/dbraw/zinc/70/69/20/563706920.db2.gz XYWXLVJJMUWZOW-SFHVURJKSA-N 0 3 310.441 3.997 50 0 DHAAHN CCn1ccc2ccc(CN3CCC[C@@H](c4ccncn4)C3)cc21 ZINC000216120334 563708148 /nfs/dbraw/zinc/70/81/48/563708148.db2.gz TVXKKZKNDMCHIV-GOSISDBHSA-N 0 3 320.440 3.831 50 0 DHAAHN COc1ccccc1CN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000025356248 563726630 /nfs/dbraw/zinc/72/66/30/563726630.db2.gz DWVQHVLTVGYLAX-OAHLLOKOSA-N 0 3 307.397 3.732 50 0 DHAAHN O=C(c1cc(Cl)ccc1F)N1CCCC[C@@H]1CN1CCCC1 ZINC000223697630 563735098 /nfs/dbraw/zinc/73/50/98/563735098.db2.gz QVYJYBJLIMYSNU-CQSZACIVSA-N 0 3 324.827 3.570 50 0 DHAAHN CC(=O)Nc1ccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000030662031 563763461 /nfs/dbraw/zinc/76/34/61/563763461.db2.gz INLZZKNSPOOZFG-CABCVRRESA-N 0 3 314.351 3.856 50 0 DHAAHN Cc1cc2c(nc1C)sc1c2ncnc1SCCN(C)C ZINC000012389810 563767816 /nfs/dbraw/zinc/76/78/16/563767816.db2.gz SWSMSCXLQUMUME-UHFFFAOYSA-N 0 3 318.471 3.510 50 0 DHAAHN CCOC(=O)[C@@H]1CN[C@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000245240968 563780463 /nfs/dbraw/zinc/78/04/63/563780463.db2.gz VRGSYPCBWQRFQZ-OTWHNJEPSA-N 0 3 309.409 3.684 50 0 DHAAHN CC(C)N1CC[C@H](NC(=S)Nc2ccc3ccccc3c2)C1 ZINC000084597460 563828078 /nfs/dbraw/zinc/82/80/78/563828078.db2.gz UHFFVGYBJNOWAH-KRWDZBQOSA-N 0 3 313.470 3.609 50 0 DHAAHN C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F ZINC000012776897 563830049 /nfs/dbraw/zinc/83/00/49/563830049.db2.gz CICJVJJVVVOJLE-ZBEGNZNMSA-N 0 3 316.351 3.569 50 0 DHAAHN Cc1cc(OC[C@H](O)CN[C@@H](C)c2ccccc2)ccc1Cl ZINC000001469929 563838106 /nfs/dbraw/zinc/83/81/06/563838106.db2.gz COZCCBGXWRWDCY-GOEBONIOSA-N 0 3 319.832 3.739 50 0 DHAAHN CN(C)[C@H](CNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000012902146 563853141 /nfs/dbraw/zinc/85/31/41/563853141.db2.gz MKOYFHPBNVLVKW-HXUWFJFHSA-N 0 3 322.452 3.598 50 0 DHAAHN Cc1noc(C)c1CN(C)C1CCN(c2ccc(F)cc2)CC1 ZINC000078950163 563859209 /nfs/dbraw/zinc/85/92/09/563859209.db2.gz YPAZFXLSGFAQNT-UHFFFAOYSA-N 0 3 317.408 3.531 50 0 DHAAHN CC(=O)Nc1cccc([C@@H](C)NC[C@H](C)c2c(C)noc2C)c1 ZINC000090762851 563875597 /nfs/dbraw/zinc/87/55/97/563875597.db2.gz ZVSACHBDANCMJU-NWDGAFQWSA-N 0 3 315.417 3.704 50 0 DHAAHN Cc1c(CN[C@H](C)c2cccc(-c3ccncc3)c2)cnn1C ZINC000090888009 563876743 /nfs/dbraw/zinc/87/67/43/563876743.db2.gz IZDKVGJXVIXAQT-CQSZACIVSA-N 0 3 306.413 3.641 50 0 DHAAHN CC(=O)Nc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 ZINC000091681914 563879246 /nfs/dbraw/zinc/87/92/46/563879246.db2.gz RDHCKCMQHQQXGN-UHFFFAOYSA-N 0 3 324.424 3.688 50 0 DHAAHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc2cccnc21 ZINC000242302386 563880998 /nfs/dbraw/zinc/88/09/98/563880998.db2.gz YSEDTRIIHSNJFJ-JQHSSLGASA-N 0 3 324.424 3.541 50 0 DHAAHN CCCN(Cc1cccs1)C[C@H](O)COc1ccccc1C ZINC000036096631 563893461 /nfs/dbraw/zinc/89/34/61/563893461.db2.gz UMDUNEVNZUQZRC-INIZCTEOSA-N 0 3 319.470 3.708 50 0 DHAAHN c1nc(-c2cccc(CN[C@@H]3CCSc4ccccc43)c2)n[nH]1 ZINC000089730873 563911026 /nfs/dbraw/zinc/91/10/26/563911026.db2.gz BXAZTNFUQIWDLW-MRXNPFEDSA-N 0 3 322.437 3.798 50 0 DHAAHN c1cc2c(o1)CCC[C@@H]2NCCc1nnc(-c2ccccc2)o1 ZINC000193038669 563912816 /nfs/dbraw/zinc/91/28/16/563912816.db2.gz VEAZDLBHHBWARF-HNNXBMFYSA-N 0 3 309.369 3.539 50 0 DHAAHN COc1ccc([C@H](OC)[C@@H](C)NCc2ccccc2OC)cc1 ZINC000095459061 563931640 /nfs/dbraw/zinc/93/16/40/563931640.db2.gz ULAXSTQSVWGPCE-AUUYWEPGSA-N 0 3 315.413 3.570 50 0 DHAAHN C[C@H](NC[C@](C)(O)c1cccs1)c1cnc2ccsc2c1 ZINC000095968307 563933102 /nfs/dbraw/zinc/93/31/02/563933102.db2.gz LUBMEQVMYMOYGR-ZBEGNZNMSA-N 0 3 318.467 3.916 50 0 DHAAHN Cc1cnc([C@@H](C)N[C@H]2CN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000096003609 563934662 /nfs/dbraw/zinc/93/46/62/563934662.db2.gz QHFJXWAANOXMLX-NVXWUHKLSA-N 0 3 313.445 3.687 50 0 DHAAHN Cc1noc(C)c1CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000096444978 563937004 /nfs/dbraw/zinc/93/70/04/563937004.db2.gz IVIHLOGSWCWYSF-LJQANCHMSA-N 0 3 314.429 3.553 50 0 DHAAHN CCc1ccsc1CN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000096479223 563937457 /nfs/dbraw/zinc/93/74/57/563937457.db2.gz XXFCVBOWKNWSQX-YUNKPMOVSA-N 0 3 307.484 3.899 50 0 DHAAHN O=C1NC2(CCN(Cc3ccccc3)CC2)Sc2ccccc21 ZINC000039331404 563951140 /nfs/dbraw/zinc/95/11/40/563951140.db2.gz LBVQPWZEEPWLNO-UHFFFAOYSA-N 0 3 324.449 3.514 50 0 DHAAHN CN(C)[C@H](CNC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000009503634 563956378 /nfs/dbraw/zinc/95/63/78/563956378.db2.gz ZQDXQMUNGFCTPD-MRXNPFEDSA-N 0 3 320.795 3.512 50 0 DHAAHN COc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1OC ZINC000071837147 563959035 /nfs/dbraw/zinc/95/90/35/563959035.db2.gz OYPLUFLQFPQECS-MRXNPFEDSA-N 0 3 301.361 3.620 50 0 DHAAHN C[C@H](c1cccc(O)c1)N(C)CCc1nc(-c2ccccc2)no1 ZINC000077285102 563960615 /nfs/dbraw/zinc/96/06/15/563960615.db2.gz XRUDUXCJBONNPF-CQSZACIVSA-N 0 3 323.396 3.678 50 0 DHAAHN Cc1cc(NC(=O)CCN(C)[C@H](C)c2cccc(Cl)c2)no1 ZINC000051425891 568415851 /nfs/dbraw/zinc/41/58/51/568415851.db2.gz DQFQTHGKCJDFBR-GFCCVEGCSA-N 0 3 321.808 3.658 50 0 DHAAHN Cc1ccsc1CNCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000089623607 568420270 /nfs/dbraw/zinc/42/02/70/568420270.db2.gz NLGFYQFYNMKFQN-MRXNPFEDSA-N 0 3 317.454 3.822 50 0 DHAAHN CC[C@@H]1C=CCN1Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1 ZINC000952982966 1032682142 /nfs/dbraw/zinc/68/21/42/1032682142.db2.gz QRXFMYRMVWRKHK-OAHLLOKOSA-N 0 3 309.365 3.767 50 0 DHAAHN CC[C@@H](Cc1ccco1)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000822620683 1020344930 /nfs/dbraw/zinc/34/49/30/1020344930.db2.gz WHVKBNKMXBMIDV-LBPRGKRZSA-N 0 3 303.793 3.920 50 0 DHAAHN CCN(CC)c1ncccc1CNCc1cn(C)c2ccccc12 ZINC000012449418 1020598117 /nfs/dbraw/zinc/59/81/17/1020598117.db2.gz DZWPFRAOJARDJW-UHFFFAOYSA-N 0 3 322.456 3.709 50 0 DHAAHN CC[C@@](C)(NC1CCCCC1)c1nnnn1-c1ccccc1C ZINC000046078005 1023662631 /nfs/dbraw/zinc/66/26/31/1023662631.db2.gz HUFVBXDUGTYEDV-GOSISDBHSA-N 0 3 313.449 3.518 50 0 DHAAHN CCOc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000215988804 1024527311 /nfs/dbraw/zinc/52/73/11/1024527311.db2.gz KUPXBTFAPOLVDV-MRXNPFEDSA-N 0 3 300.377 3.609 50 0 DHAAHN CCCN(CCN1CCCC1)C(=O)c1scc(C)c1Cl ZINC000585082327 1029626798 /nfs/dbraw/zinc/62/67/98/1029626798.db2.gz DTOUEYYXFZKEQD-UHFFFAOYSA-N 0 3 314.882 3.658 50 0 DHAAHN CCc1cc(C)c(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)o1 ZINC000151117115 1037728526 /nfs/dbraw/zinc/72/85/26/1037728526.db2.gz GFBLVIOBODXNRG-MRXNPFEDSA-N 0 3 324.424 3.775 50 0 DHAAHN CCN(CC)[C@H](CNC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000096943748 185393591 /nfs/dbraw/zinc/39/35/91/185393591.db2.gz FBEBHNUTRSVWEG-CNNWTFKKSA-N 0 3 322.452 3.899 50 0 DHAAHN COc1ccc([C@H](C)N[C@@H](C)c2cccc(-n3cncn3)c2)cc1 ZINC000095423552 185361280 /nfs/dbraw/zinc/36/12/80/185361280.db2.gz SVUWTKHIJQWCLK-GJZGRUSLSA-N 0 3 322.412 3.688 50 0 DHAAHN Oc1cccc(CNc2cccc(CN3CCSCC3)c2)c1 ZINC000095428865 185362247 /nfs/dbraw/zinc/36/22/47/185362247.db2.gz TYLPGRADZZHGDS-UHFFFAOYSA-N 0 3 314.454 3.553 50 0 DHAAHN Cc1ccc2c(c1)[C@H](NCc1ccc(C3OCCO3)cc1)CC2 ZINC000097016941 185397448 /nfs/dbraw/zinc/39/74/48/185397448.db2.gz XOKKZFZWXHSRJY-LJQANCHMSA-N 0 3 309.409 3.818 50 0 DHAAHN COc1ccc(C[C@H](C)N[C@@H](C)c2ncc(C)s2)cc1OC ZINC000097017227 185397626 /nfs/dbraw/zinc/39/76/26/185397626.db2.gz YCFROBBDZUUCHR-AAEUAGOBSA-N 0 3 320.458 3.751 50 0 DHAAHN Cc1c(C(=O)O[C@@H](C)c2cccnc2)ccc2cnc(C3CC3)n21 ZINC000095468953 185372378 /nfs/dbraw/zinc/37/23/78/185372378.db2.gz ICRWWXXBFVJOSA-ZDUSSCGKSA-N 0 3 321.380 3.833 50 0 DHAAHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccc(Br)c1 ZINC000083705085 192378980 /nfs/dbraw/zinc/37/89/80/192378980.db2.gz MRKCJPAPJDNYPQ-CZUORRHYSA-N 0 3 323.278 3.508 50 0 DHAAHN CS[C@H](C)CCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000072132992 191044301 /nfs/dbraw/zinc/04/43/01/191044301.db2.gz HTIXTNUXTKKTKI-CQSZACIVSA-N 0 3 312.910 3.599 50 0 DHAAHN Cc1nccc([C@H](C)NCCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000225632778 186284818 /nfs/dbraw/zinc/28/48/18/186284818.db2.gz WEAURNHMRPWMQU-NSHDSACASA-N 0 3 314.820 3.813 50 0 DHAAHN Cc1ccc2c(c1)[C@@H](NCc1cccc(N3CCC3=O)c1)CC2 ZINC000225668721 186288076 /nfs/dbraw/zinc/28/80/76/186288076.db2.gz BDGYATZGEIZUIY-IBGZPJMESA-N 0 3 306.409 3.509 50 0 DHAAHN Cc1ccc(-c2nccn2C[C@H](c2ccco2)N2CCCC2)o1 ZINC000072427091 191161639 /nfs/dbraw/zinc/16/16/39/191161639.db2.gz VSZOBGNMGKXQRV-OAHLLOKOSA-N 0 3 311.385 3.882 50 0 DHAAHN O=C(OCCN1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000003614316 181041644 /nfs/dbraw/zinc/04/16/44/181041644.db2.gz LFNQZZQYEWWBGO-UHFFFAOYSA-N 0 3 301.430 3.528 50 0 DHAAHN Cc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1C ZINC000004723239 181142273 /nfs/dbraw/zinc/14/22/73/181142273.db2.gz JUBJMYBYCRZZAN-UHFFFAOYSA-N 0 3 308.425 3.690 50 0 DHAAHN O=C(NCCN1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000004750497 181148380 /nfs/dbraw/zinc/14/83/80/181148380.db2.gz XMVFAHQBMBZBQI-UHFFFAOYSA-N 0 3 308.425 3.569 50 0 DHAAHN Cc1cc(Br)ccc1OCCN1CCC(C)CC1 ZINC000004845202 181162444 /nfs/dbraw/zinc/16/24/44/181162444.db2.gz MOJNLVOFRGRTJN-UHFFFAOYSA-N 0 3 312.251 3.868 50 0 DHAAHN CN(C)CCNc1c2ccccc2nc2c1CCc1ccccc1-2 ZINC000005509030 181251319 /nfs/dbraw/zinc/25/13/19/181251319.db2.gz GWABPBBLGUILLH-UHFFFAOYSA-N 0 3 317.436 3.974 50 0 DHAAHN c1nc(-c2cccc(CN[C@@H](c3ccccc3)C3CC3)c2)n[nH]1 ZINC000091374788 193046976 /nfs/dbraw/zinc/04/69/76/193046976.db2.gz KFORDNLSQFPQSQ-SFHVURJKSA-N 0 3 304.397 3.713 50 0 DHAAHN COc1ccccc1C(C)(C)NCc1ccc(NC(C)=O)cc1 ZINC000096403977 193620071 /nfs/dbraw/zinc/62/00/71/193620071.db2.gz MNAURQNLDRMTHG-UHFFFAOYSA-N 0 3 312.413 3.679 50 0 DHAAHN C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000015583746 182008292 /nfs/dbraw/zinc/00/82/92/182008292.db2.gz TWSKQCXDZOILGU-GTNSWQLSSA-N 0 3 316.351 3.569 50 0 DHAAHN Cc1[nH]c2ccccc2c1[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000019902623 182162611 /nfs/dbraw/zinc/16/26/11/182162611.db2.gz VBJJVQACEPQLIQ-NRFANRHFSA-N 0 3 319.452 3.813 50 0 DHAAHN COc1ccccc1CCNCc1ccccc1Br ZINC000019855977 182157647 /nfs/dbraw/zinc/15/76/47/182157647.db2.gz NUFFBVFDBBKORU-UHFFFAOYSA-N 0 3 320.230 3.790 50 0 DHAAHN COc1cc(Cl)c(CNCCc2ccccc2)cc1OC ZINC000020325438 182207660 /nfs/dbraw/zinc/20/76/60/182207660.db2.gz BIMPRWJQIRGKFN-UHFFFAOYSA-N 0 3 305.805 3.690 50 0 DHAAHN Clc1cccc(CNCCNCc2cccc(Cl)c2)c1 ZINC000020365441 182211732 /nfs/dbraw/zinc/21/17/32/182211732.db2.gz WCBIPPOEAIYUNE-UHFFFAOYSA-N 0 3 309.240 3.873 50 0 DHAAHN CC(C)CC[C@]1(CCN2CCN(C)CC2)CCO[C@H](C(C)C)C1 ZINC000020648160 182240540 /nfs/dbraw/zinc/24/05/40/182240540.db2.gz IPORIWFJIBWFBV-PMACEKPBSA-N 0 3 324.553 3.882 50 0 DHAAHN CN(C)c1ncc(CN2CCC(Cc3ccccc3)CC2)s1 ZINC000020912131 182253751 /nfs/dbraw/zinc/25/37/51/182253751.db2.gz VYCMDWNNWRLSBF-UHFFFAOYSA-N 0 3 315.486 3.664 50 0 DHAAHN C[C@H](NC(=O)CN1CCCC[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000021578992 182280294 /nfs/dbraw/zinc/28/02/94/182280294.db2.gz GJZFCXFLSIUPBM-CVEARBPZSA-N 0 3 314.473 3.617 50 0 DHAAHN Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)c1 ZINC000028291997 182519067 /nfs/dbraw/zinc/51/90/67/182519067.db2.gz IZCCIKREPBZGQD-FQEVSTJZSA-N 0 3 322.452 3.952 50 0 DHAAHN c1ccc2sc(N3CCN(C4CCCCC4)CC3)nc2c1 ZINC000039046808 183014010 /nfs/dbraw/zinc/01/40/10/183014010.db2.gz DDWKFSULGYOHOY-UHFFFAOYSA-N 0 3 301.459 3.751 50 0 DHAAHN CNCc1cccc(Br)c1OCc1ccccc1 ZINC000042303353 183252273 /nfs/dbraw/zinc/25/22/73/183252273.db2.gz ZSRPHJKOZZVWGX-UHFFFAOYSA-N 0 3 306.203 3.748 50 0 DHAAHN CCCCCNC(=O)C1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000056284265 184009373 /nfs/dbraw/zinc/00/93/73/184009373.db2.gz PPUVVGUZHJIPEC-HNNXBMFYSA-N 0 3 320.452 3.905 50 0 DHAAHN COc1ccc2cc(CNCc3ccccc3CO)ccc2c1 ZINC000058165867 184083208 /nfs/dbraw/zinc/08/32/08/184083208.db2.gz YKZGWNKCQCVZMQ-UHFFFAOYSA-N 0 3 307.393 3.631 50 0 DHAAHN O[C@@H](COCc1cccs1)CN1CCC[C@@H]1c1ccsc1 ZINC000058167349 184083838 /nfs/dbraw/zinc/08/38/38/184083838.db2.gz KQJHYRJEUXJJMC-GDBMZVCRSA-N 0 3 323.483 3.524 50 0 DHAAHN CCN1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000058183608 184085298 /nfs/dbraw/zinc/08/52/98/184085298.db2.gz GLRGOWZRTKIXGV-UHFFFAOYSA-N 0 3 316.232 3.553 50 0 DHAAHN COc1ccccc1C[C@@H]1CCCN1Cc1c(C)noc1C ZINC000058525564 184121683 /nfs/dbraw/zinc/12/16/83/184121683.db2.gz YXHJHSMNPNZBMN-INIZCTEOSA-N 0 3 300.402 3.507 50 0 DHAAHN CCc1ccsc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000060155630 184144787 /nfs/dbraw/zinc/14/47/87/184144787.db2.gz GVICYAKFXXGISP-MRXNPFEDSA-N 0 3 316.470 3.652 50 0 DHAAHN Nc1ccnc(-c2cccc(C(=O)N3C[C@@H]4CCC[C@@H](C4)C3)c2)c1 ZINC000426657108 257244070 /nfs/dbraw/zinc/24/40/70/257244070.db2.gz ZFTKJRLVGQGOAF-GASCZTMLSA-N 0 3 321.424 3.593 50 0 DHAAHN c1cc(-c2ccc(-c3ccc(CN4CCCC4)cn3)cc2)n[nH]1 ZINC000426667724 257244606 /nfs/dbraw/zinc/24/46/06/257244606.db2.gz YPPBJYCLDVTVOA-UHFFFAOYSA-N 0 3 304.397 3.735 50 0 DHAAHN COC[C@@H](C)CN1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000188329448 333044243 /nfs/dbraw/zinc/04/42/43/333044243.db2.gz CUDAYMFNSTZSBY-NSHDSACASA-N 0 3 322.499 3.821 50 0 DHAAHN Cc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cs1 ZINC000534638556 334310314 /nfs/dbraw/zinc/31/03/14/334310314.db2.gz BCKUBYGCAQGUNZ-UHFFFAOYSA-N 0 3 314.454 3.549 50 0 DHAAHN CC[C@H](NCc1cc2ccccc2n(C)c1=O)c1cccs1 ZINC000426337126 338027763 /nfs/dbraw/zinc/02/77/63/338027763.db2.gz YQVXHAARQVSGBI-HNNXBMFYSA-N 0 3 312.438 3.841 50 0 DHAAHN CC(=O)N1CCC(NCc2sc3ccccc3c2Cl)CC1 ZINC000037977307 563895154 /nfs/dbraw/zinc/89/51/54/563895154.db2.gz QZQLPFOJJMHMER-UHFFFAOYSA-N 0 3 322.861 3.655 50 0 DHAAHN CC(=O)NC1CCC(N[C@@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000132907558 563943443 /nfs/dbraw/zinc/94/34/43/563943443.db2.gz AUANMRNVDORWKB-XGNXJENSSA-N 0 3 323.506 3.539 50 0 DHAAHN CN(CCOC(=O)c1cccc(Cl)c1)Cc1ccccc1 ZINC000000314947 563240071 /nfs/dbraw/zinc/24/00/71/563240071.db2.gz MOQSACZHJKHRFA-UHFFFAOYSA-N 0 3 303.789 3.629 50 0 DHAAHN CN(C)CCOc1ccc2c(c1)Sc1ccccc1CC2=O ZINC000000347726 563243163 /nfs/dbraw/zinc/24/31/63/563243163.db2.gz ALUAWMIKIFEMQG-UHFFFAOYSA-N 0 3 313.422 3.517 50 0 DHAAHN c1ccc(COc2ccc(CNCc3cccnc3)cc2)cc1 ZINC000000517059 563264160 /nfs/dbraw/zinc/26/41/60/563264160.db2.gz FUFUDQMKECPDLX-UHFFFAOYSA-N 0 3 304.393 3.950 50 0 DHAAHN CCC1CCC(N2CCN(c3cccc(OC)c3)CC2)CC1 ZINC000006667496 563332903 /nfs/dbraw/zinc/33/29/03/563332903.db2.gz MMPZWSLSXAZHPC-UHFFFAOYSA-N 0 3 302.462 3.786 50 0 DHAAHN Cc1ccc(C(C)C)c(OC[C@@H](O)CNCc2ccccc2)c1 ZINC000009970623 563355084 /nfs/dbraw/zinc/35/50/84/563355084.db2.gz OETPTNXLMHOFES-SFHVURJKSA-N 0 3 313.441 3.648 50 0 DHAAHN CC(C)(C)SCC(=O)Nc1cccc(CN2CCCC2)c1 ZINC000032827455 563400327 /nfs/dbraw/zinc/40/03/27/563400327.db2.gz LAFLUMZCTVOSNT-UHFFFAOYSA-N 0 3 306.475 3.753 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000015066491 563406878 /nfs/dbraw/zinc/40/68/78/563406878.db2.gz IRMCBKDXTASVRY-CQSZACIVSA-N 0 3 319.399 3.841 50 0 DHAAHN Cc1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000016396171 563412289 /nfs/dbraw/zinc/41/22/89/563412289.db2.gz PSAWNQYKXMWCRQ-UHFFFAOYSA-N 0 3 322.452 3.523 50 0 DHAAHN C[C@@H](CNC(=O)NC1CCCCCCC1)N1CCC(C)CC1 ZINC000072044360 563418420 /nfs/dbraw/zinc/41/84/20/563418420.db2.gz KJIAUBMDSQGPFF-INIZCTEOSA-N 0 3 309.498 3.519 50 0 DHAAHN CCC1CCC(N2CCN(c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000023281067 563419958 /nfs/dbraw/zinc/41/99/58/563419958.db2.gz BMTCMNUZQDBHET-UHFFFAOYSA-N 0 3 314.473 3.980 50 0 DHAAHN CN(C)Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000023898910 563420864 /nfs/dbraw/zinc/42/08/64/563420864.db2.gz IGEFFQORHFSRFL-UHFFFAOYSA-N 0 3 312.457 3.903 50 0 DHAAHN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000025410973 563422839 /nfs/dbraw/zinc/42/28/39/563422839.db2.gz WBLURPAGRKIDKQ-YESZJQIVSA-N 0 3 300.446 3.834 50 0 DHAAHN CC1CCN([C@@H](CNC(=O)C2CCCC2)c2cccs2)CC1 ZINC000027573597 563428140 /nfs/dbraw/zinc/42/81/40/563428140.db2.gz SKXAWUPZHRAEFD-INIZCTEOSA-N 0 3 320.502 3.828 50 0 DHAAHN Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000027582160 563428863 /nfs/dbraw/zinc/42/88/63/563428863.db2.gz WLFZXMPGOWHGHP-MRXNPFEDSA-N 0 3 314.454 3.623 50 0 DHAAHN COc1ccc([C@H]2CCCCCN2Cc2cn(C)nc2C)cc1 ZINC000033087103 563444217 /nfs/dbraw/zinc/44/42/17/563444217.db2.gz RTJRKSPWBGKHDR-LJQANCHMSA-N 0 3 313.445 3.854 50 0 DHAAHN C[C@H](NC[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000002686920 563448589 /nfs/dbraw/zinc/44/85/89/563448589.db2.gz MEFYHBGGTGOIRY-KBXCAEBGSA-N 0 3 319.832 3.568 50 0 DHAAHN CCNc1cc2oc(=O)c(CN3CCCCC3)c(C)c2cc1C ZINC000004913334 563449646 /nfs/dbraw/zinc/44/96/46/563449646.db2.gz ADTOWLHXCACTNC-UHFFFAOYSA-N 0 3 314.429 3.828 50 0 DHAAHN Clc1ccccc1COCc1ccc2c(c1)CNCCO2 ZINC000034928817 563452106 /nfs/dbraw/zinc/45/21/06/563452106.db2.gz IODAIYCSOPDXPJ-UHFFFAOYSA-N 0 3 303.789 3.539 50 0 DHAAHN C[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)s1 ZINC000037020894 563457100 /nfs/dbraw/zinc/45/71/00/563457100.db2.gz BHJSUOSPYWNLPB-PWSUYJOCSA-N 0 3 308.834 3.669 50 0 DHAAHN C[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)s1 ZINC000037020895 563457260 /nfs/dbraw/zinc/45/72/60/563457260.db2.gz BHJSUOSPYWNLPB-CMPLNLGQSA-N 0 3 308.834 3.669 50 0 DHAAHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 ZINC000058341684 563478459 /nfs/dbraw/zinc/47/84/59/563478459.db2.gz LPJFMUHRXHVPBO-GOSISDBHSA-N 0 3 316.489 3.938 50 0 DHAAHN Cc1ccc(C2(O)CCN(Cc3c(C)cc(C)cc3C)CC2)nc1 ZINC000067692619 563489821 /nfs/dbraw/zinc/48/98/21/563489821.db2.gz UPLCYKUIQVSSIN-UHFFFAOYSA-N 0 3 324.468 3.799 50 0 DHAAHN CN1CCC(Cc2noc(-c3ccc(-c4ccccc4)[nH]3)n2)CC1 ZINC000067855500 563492285 /nfs/dbraw/zinc/49/22/85/563492285.db2.gz HMIYWKREDOPNSY-UHFFFAOYSA-N 0 3 322.412 3.616 50 0 DHAAHN CNCc1cc(-c2cccc(-n3nc(C)cc3C)c2)ccc1OC ZINC000067869157 563492418 /nfs/dbraw/zinc/49/24/18/563492418.db2.gz DWWDGUORAXXKEH-UHFFFAOYSA-N 0 3 321.424 3.884 50 0 DHAAHN CCOC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071415523 563499822 /nfs/dbraw/zinc/49/98/22/563499822.db2.gz IWJSJRWFKKANCD-QGZVFWFLSA-N 0 3 322.424 3.515 50 0 DHAAHN Cc1nccn1CC[C@H]1CCCCN1Cc1cccc(F)c1 ZINC000077488999 563510643 /nfs/dbraw/zinc/51/06/43/563510643.db2.gz MFXMWXUWFCRIHX-GOSISDBHSA-N 0 3 301.409 3.775 50 0 DHAAHN Cc1nccn1CC[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC000077488996 563511179 /nfs/dbraw/zinc/51/11/79/563511179.db2.gz MFXMWXUWFCRIHX-SFHVURJKSA-N 0 3 301.409 3.775 50 0 DHAAHN CCN(CC)[C@H](CNc1nc(C)cc(C)n1)c1ccsc1 ZINC000097286642 563515207 /nfs/dbraw/zinc/51/52/07/563515207.db2.gz UVWZGQXYVLOAJZ-OAHLLOKOSA-N 0 3 304.463 3.650 50 0 DHAAHN Cc1noc(C)c1CN(C)Cc1ccc(CN2CCCC2)s1 ZINC000097213214 563537990 /nfs/dbraw/zinc/53/79/90/563537990.db2.gz HAZKICSXBIIAPI-UHFFFAOYSA-N 0 3 319.474 3.581 50 0 DHAAHN Cc1nccn1CC1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000097698743 563541705 /nfs/dbraw/zinc/54/17/05/563541705.db2.gz XDWLPUFTUGZILO-UHFFFAOYSA-N 0 3 301.409 3.551 50 0 DHAAHN COc1cccc2ccc(CN(C)C3CCSCC3)nc21 ZINC000097717248 563541973 /nfs/dbraw/zinc/54/19/73/563541973.db2.gz ACEGLIHZMAPWEY-UHFFFAOYSA-N 0 3 302.443 3.571 50 0 DHAAHN Cc1cc(C)c(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c(C)c1 ZINC000045951818 563691289 /nfs/dbraw/zinc/69/12/89/563691289.db2.gz MMNODLYVTWRJBH-IRXDYDNUSA-N 0 3 317.477 3.996 50 0 DHAAHN CCCNC(=O)c1cccc(CNCc2ccc(C)cc2C)c1 ZINC000047794111 563692445 /nfs/dbraw/zinc/69/24/45/563692445.db2.gz SRHPJNFEMSAPON-UHFFFAOYSA-N 0 3 310.441 3.733 50 0 DHAAHN Cc1cc(C)c(-n2cccn2)c(CN2CCC(F)(F)CC2)c1 ZINC000215201905 563704626 /nfs/dbraw/zinc/70/46/26/563704626.db2.gz FPVHFILHZYDXCJ-UHFFFAOYSA-N 0 3 305.372 3.720 50 0 DHAAHN CN(CCC[C@@H]1CCCO1)Cc1cnc(C2CCCCC2)nc1 ZINC000215456190 563705261 /nfs/dbraw/zinc/70/52/61/563705261.db2.gz DNMXYKFFWZMQDM-GOSISDBHSA-N 0 3 317.477 3.915 50 0 DHAAHN CC(C)(C)SCCOC(=O)c1ccc(CN2CCCC2)cc1 ZINC000225388846 563753429 /nfs/dbraw/zinc/75/34/29/563753429.db2.gz IWCLIZYCFIQROD-UHFFFAOYSA-N 0 3 321.486 3.971 50 0 DHAAHN COc1ccc([C@H](C)N(C)CCCc2cccnc2)c(OC)c1 ZINC000244773951 563780020 /nfs/dbraw/zinc/78/00/20/563780020.db2.gz PJIMXXJBOHDXGT-HNNXBMFYSA-N 0 3 314.429 3.724 50 0 DHAAHN CC(C)NCc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248000329 563782019 /nfs/dbraw/zinc/78/20/19/563782019.db2.gz NWJWDKPNIOVDQK-UHFFFAOYSA-N 0 3 324.403 3.631 50 0 DHAAHN CC[C@@H](c1ccc(OC)cc1)N(C)Cc1[nH]cc(C)c(=O)c1C ZINC000253537388 563784582 /nfs/dbraw/zinc/78/45/82/563784582.db2.gz UADMSGVAQHKBLB-SFHVURJKSA-N 0 3 314.429 3.996 50 0 DHAAHN O=C(NCc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010327896 563813836 /nfs/dbraw/zinc/81/38/36/563813836.db2.gz JAEDQRPDBJRTAD-UHFFFAOYSA-N 0 3 308.425 3.603 50 0 DHAAHN CC[C@H](NC[C@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000084734137 563830495 /nfs/dbraw/zinc/83/04/95/563830495.db2.gz BJIIIOCIGYJTQY-WBMJQRKESA-N 0 3 305.372 3.780 50 0 DHAAHN O[C@H](COc1ccc(C2CCCCC2)cc1)CN1CCCCC1 ZINC000001470098 563838375 /nfs/dbraw/zinc/83/83/75/563838375.db2.gz OLCNTOSCOMSZAV-IBGZPJMESA-N 0 3 317.473 3.960 50 0 DHAAHN CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000221902753 563869420 /nfs/dbraw/zinc/86/94/20/563869420.db2.gz WPTUSCVGQBFGFQ-KNLKSIEXSA-N 0 3 315.429 3.695 50 0 DHAAHN CO[C@@H](CN[C@H](C)c1cnc(C)nc1C)c1ccccc1Cl ZINC000090453401 563870400 /nfs/dbraw/zinc/87/04/00/563870400.db2.gz JRVXACUDALASGE-DIFFPNOSSA-N 0 3 319.836 3.785 50 0 DHAAHN CO[C@@H](CN[C@@H](C)c1cnc(C)nc1C)c1ccccc1Cl ZINC000090453402 563870547 /nfs/dbraw/zinc/87/05/47/563870547.db2.gz JRVXACUDALASGE-GTNSWQLSSA-N 0 3 319.836 3.785 50 0 DHAAHN CC(C)c1nc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cs1 ZINC000240894763 563880355 /nfs/dbraw/zinc/88/03/55/563880355.db2.gz IPPWJIGSPWLOAK-RRFJBIMHSA-N 0 3 306.475 3.704 50 0 DHAAHN c1cn(Cc2cccc(CN[C@H]3CCCc4occc43)c2)cn1 ZINC000192653469 563890384 /nfs/dbraw/zinc/89/03/84/563890384.db2.gz WEHHZJRAVVVQHM-SFHVURJKSA-N 0 3 307.397 3.692 50 0 DHAAHN CC[C@@H](O)CN(Cc1ccc(OC)cc1)Cc1cccc(C)c1 ZINC000036095331 563893203 /nfs/dbraw/zinc/89/32/03/563893203.db2.gz IBPIVNYALHVNCP-LJQANCHMSA-N 0 3 313.441 3.777 50 0 DHAAHN C[C@@H](NC(=O)C1=CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000064817932 563894481 /nfs/dbraw/zinc/89/44/81/563894481.db2.gz NMJTZMLKEJUVRV-QGZVFWFLSA-N 0 3 320.436 3.696 50 0 DHAAHN Cc1cc(C)cc(NC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000036847517 563904693 /nfs/dbraw/zinc/90/46/93/563904693.db2.gz SCSLOYNFQURBCX-JKSUJKDBSA-N 0 3 319.518 3.853 50 0 DHAAHN CCc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccs2)cc1 ZINC000007375784 563905333 /nfs/dbraw/zinc/90/53/33/563905333.db2.gz PUPNJSSNPJOWRE-QWHCGFSZSA-N 0 3 302.443 3.988 50 0 DHAAHN Cc1ccc(NC(=O)CCN[C@@H](C)c2cccnc2)c(Cl)c1 ZINC000089669702 563910916 /nfs/dbraw/zinc/91/09/16/563910916.db2.gz JJJAVRJQNBIIMB-ZDUSSCGKSA-N 0 3 317.820 3.723 50 0 DHAAHN N[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195544192 563919695 /nfs/dbraw/zinc/91/96/95/563919695.db2.gz WTHPQIOYMMPMPY-ZWKOTPCHSA-N 0 3 312.388 3.579 50 0 DHAAHN COc1ccc([C@H](C)NCc2cccc(-c3nc[nH]n3)c2)cc1C ZINC000195558157 563919760 /nfs/dbraw/zinc/91/97/60/563919760.db2.gz MIHPPDXVDXIBCM-AWEZNQCLSA-N 0 3 322.412 3.640 50 0 DHAAHN CCN(CC)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 ZINC000007813742 563919998 /nfs/dbraw/zinc/91/99/98/563919998.db2.gz IFBGTGGSPWOMSM-GOSISDBHSA-N 0 3 311.429 3.891 50 0 DHAAHN Fc1cccc(COc2ccc(CNC[C@@H]3CCCO3)cc2)c1 ZINC000139286717 563924318 /nfs/dbraw/zinc/92/43/18/563924318.db2.gz OVCYRHBRFZBOLV-IBGZPJMESA-N 0 3 315.388 3.673 50 0 DHAAHN CN(C)CCOc1ccc(NC(=O)c2sccc2Cl)cc1 ZINC000253417868 563925216 /nfs/dbraw/zinc/92/52/16/563925216.db2.gz PVGTTYKYHNTYAZ-UHFFFAOYSA-N 0 3 324.833 3.594 50 0 DHAAHN COc1ccc([C@@H]2CCCN2CC2CCC(=O)CC2)c(OC)c1 ZINC000253427823 563925323 /nfs/dbraw/zinc/92/53/23/563925323.db2.gz HAOQESUIAYUSIO-SFHVURJKSA-N 0 3 317.429 3.600 50 0 DHAAHN C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1Cl ZINC000078896925 563930021 /nfs/dbraw/zinc/93/00/21/563930021.db2.gz NMPUDUNWAMLGKL-DCGLDWPTSA-N 0 3 320.864 3.638 50 0 DHAAHN C[C@@H](NCc1ccccc1C(F)(F)F)[C@@H](O)c1ccccc1 ZINC000020312707 563930863 /nfs/dbraw/zinc/93/08/63/563930863.db2.gz HTMPOPZDCKLWDK-MLGOLLRUSA-N 0 3 309.331 3.917 50 0 DHAAHN COc1ccc([C@@H](OC)[C@H](C)NCc2ccccc2OC)cc1 ZINC000095459058 563931634 /nfs/dbraw/zinc/93/16/34/563931634.db2.gz ULAXSTQSVWGPCE-LIRRHRJNSA-N 0 3 315.413 3.570 50 0 DHAAHN CCN1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000007964204 563931737 /nfs/dbraw/zinc/93/17/37/563931737.db2.gz VAWACGMVEIQFLK-UHFFFAOYSA-N 0 3 324.424 3.693 50 0 DHAAHN CC1(C)C[C@@H](NCCc2cn3ccccc3n2)c2ccccc2O1 ZINC000095967253 563932823 /nfs/dbraw/zinc/93/28/23/563932823.db2.gz YCKCDDPJTSJMMB-QGZVFWFLSA-N 0 3 321.424 3.769 50 0 DHAAHN C[C@@H](NC[C@@](C)(O)c1cccs1)c1cnc2ccsc2c1 ZINC000095968310 563933271 /nfs/dbraw/zinc/93/32/71/563933271.db2.gz LUBMEQVMYMOYGR-BDJLRTHQSA-N 0 3 318.467 3.916 50 0 DHAAHN Brc1cccc(C2(NCC3=CCCOC3)CCC2)c1 ZINC000095971803 563933452 /nfs/dbraw/zinc/93/34/52/563933452.db2.gz LJPXXMKOKRLNGO-UHFFFAOYSA-N 0 3 322.246 3.765 50 0 DHAAHN Cc1csc(CNc2ccc(SCCN(C)C)cc2)n1 ZINC000095971953 563933563 /nfs/dbraw/zinc/93/35/63/563933563.db2.gz ZIWFOZQWBUEFTH-UHFFFAOYSA-N 0 3 307.488 3.717 50 0 DHAAHN COC[C@](C)(NCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000096013792 563934860 /nfs/dbraw/zinc/93/48/60/563934860.db2.gz PWCVXWKETFGQHO-FQEVSTJZSA-N 0 3 321.424 3.524 50 0 DHAAHN C[C@H](NCCCO)c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000096014121 563934937 /nfs/dbraw/zinc/93/49/37/563934937.db2.gz DSWGQZXWQWRYCO-VIFPVBQESA-N 0 3 314.813 3.636 50 0 DHAAHN CC[C@@H](C(=O)OCCN(C)C)c1ccc(-c2ccccc2)cc1 ZINC000096028098 563935309 /nfs/dbraw/zinc/93/53/09/563935309.db2.gz POVOIKOTBBNISZ-LJQANCHMSA-N 0 3 311.425 3.952 50 0 DHAAHN CN1CCC(OC(=O)[C@H](c2cccs2)[C@H]2C=CCCC2)CC1 ZINC000096028036 563935364 /nfs/dbraw/zinc/93/53/64/563935364.db2.gz TUYPAMBSJBATIZ-YOEHRIQHSA-N 0 3 319.470 3.825 50 0 DHAAHN CCc1ccsc1CN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000096479219 563937382 /nfs/dbraw/zinc/93/73/82/563937382.db2.gz XXFCVBOWKNWSQX-FKIZINRSSA-N 0 3 307.484 3.899 50 0 DHAAHN O=C(CN1CCCCCC1)NC(c1ccccc1)c1ccccc1 ZINC000002616621 563939600 /nfs/dbraw/zinc/93/96/00/563939600.db2.gz YXMIIEYJAFFIPM-UHFFFAOYSA-N 0 3 322.452 3.768 50 0 DHAAHN CC[C@@H](NC1CCN(Cc2ccco2)CC1)c1cccc(C)n1 ZINC000670434632 563943358 /nfs/dbraw/zinc/94/33/58/563943358.db2.gz BCICNQWGVJVRLI-GOSISDBHSA-N 0 3 313.445 3.688 50 0 DHAAHN CN(CCC1(O)CCCC1)Cc1ccc2cccc(F)c2n1 ZINC000670471435 563948488 /nfs/dbraw/zinc/94/84/88/563948488.db2.gz XKUITLDQFRRLEV-UHFFFAOYSA-N 0 3 302.393 3.501 50 0 DHAAHN CC(C)(C)NC(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008863009 563950895 /nfs/dbraw/zinc/95/08/95/563950895.db2.gz MKYODJSQWCBENN-HNNXBMFYSA-N 0 3 323.506 3.763 50 0 DHAAHN Cc1cc(C)c(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(C)c1 ZINC000245225091 563952212 /nfs/dbraw/zinc/95/22/12/563952212.db2.gz MMNODLYVTWRJBH-IAGOWNOFSA-N 0 3 317.477 3.996 50 0 DHAAHN C[C@H](NCc1cnc(-c2ccccc2)s1)[C@H](C)n1cccn1 ZINC000069418068 563952836 /nfs/dbraw/zinc/95/28/36/563952836.db2.gz ZLZVEJZFASRVEB-KBPBESRZSA-N 0 3 312.442 3.746 50 0 DHAAHN Cc1csc(C2CCN(CCCOCC(F)(F)F)CC2)n1 ZINC000069583669 563953689 /nfs/dbraw/zinc/95/36/89/563953689.db2.gz SQFKTPXGPJYTTH-UHFFFAOYSA-N 0 3 322.396 3.600 50 0 DHAAHN Cc1cc(NCc2ccc(-n3ccnc3)nc2)c2ccccc2n1 ZINC000078548594 563961137 /nfs/dbraw/zinc/96/11/37/563961137.db2.gz OSDCPPLYZHNCMC-UHFFFAOYSA-N 0 3 315.380 3.736 50 0 DHAAHN O[C@H]1C[C@@H](c2ccccc2)N(Cc2cccc3cccnc32)C1 ZINC000411920381 563961950 /nfs/dbraw/zinc/96/19/50/563961950.db2.gz CELAEBXJLGSYET-OALUTQOASA-N 0 3 304.393 3.543 50 0 DHAAHN O=C(CCN(Cc1ccco1)C1CC1)Nc1ccccc1Cl ZINC000037176486 568419661 /nfs/dbraw/zinc/41/96/61/568419661.db2.gz LYKOQBZCXSKJDW-UHFFFAOYSA-N 0 3 318.804 3.926 50 0 DHAAHN O=C(CN1CCC[C@H]1C1CCCCC1)Nc1ccc(Cl)cn1 ZINC000071812726 568419932 /nfs/dbraw/zinc/41/99/32/568419932.db2.gz ZDKBBAHFDXOFBD-HNNXBMFYSA-N 0 3 321.852 3.718 50 0 DHAAHN Cc1ccsc1CNCc1ccc(C)cc1O[C@H]1CCOC1 ZINC000089623612 568420256 /nfs/dbraw/zinc/42/02/56/568420256.db2.gz NLGFYQFYNMKFQN-INIZCTEOSA-N 0 3 317.454 3.822 50 0 DHAAHN Cc1cccc2c(N3CC[C@H](OCc4ccncc4)C3)ccnc12 ZINC000192897807 1032514171 /nfs/dbraw/zinc/51/41/71/1032514171.db2.gz WPNJYVPNZXEFBK-KRWDZBQOSA-N 0 3 319.408 3.734 50 0 DHAAHN CC[C@@H](c1ccccc1)N1CCC(CN=S(C)(C)=O)CC1 ZINC000952992661 1032679304 /nfs/dbraw/zinc/67/93/04/1032679304.db2.gz IQUZMNYYWBJRFY-KRWDZBQOSA-N 0 3 308.491 3.577 50 0 DHAAHN C[C@@H](NCc1nncn1-c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417332335 1017368270 /nfs/dbraw/zinc/36/82/70/1017368270.db2.gz XCUCJDPZSMCLOL-VNQPRFMTSA-N 0 3 324.453 3.611 50 0 DHAAHN Cc1c(C(=O)Nc2ccccc2CN2CCCCC2)ccn1C ZINC000828187229 1020821043 /nfs/dbraw/zinc/82/10/43/1020821043.db2.gz BLXCFXAORSZOMA-UHFFFAOYSA-N 0 3 311.429 3.572 50 0 DHAAHN Fc1cccc(CN2CC[C@@H]3CN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000581798136 1021839875 /nfs/dbraw/zinc/83/98/75/1021839875.db2.gz GRBKYLJVXGNRMU-UYAOXDASSA-N 0 3 310.416 3.532 50 0 DHAAHN COc1cc(-c2ccc(SC)cc2)cc2c1OCCNC2 ZINC000299796678 1023305398 /nfs/dbraw/zinc/30/53/98/1023305398.db2.gz OBHRTNOXJQDDFV-UHFFFAOYSA-N 0 3 301.411 3.566 50 0 DHAAHN CN(Cc1cnc(-c2cccs2)nc1)C1CCSCC1 ZINC000215895756 1024527424 /nfs/dbraw/zinc/52/74/24/1024527424.db2.gz OGLHWZPSKGLCDB-UHFFFAOYSA-N 0 3 305.472 3.533 50 0 DHAAHN C[C@H](NCc1nc(Cl)cs1)[C@@H](c1ccccc1)N(C)C ZINC000585117202 1029776377 /nfs/dbraw/zinc/77/63/77/1029776377.db2.gz URNSCCQITJBQFG-NHYWBVRUSA-N 0 3 309.866 3.578 50 0 DHAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(F)cc1 ZINC000252394235 1036078970 /nfs/dbraw/zinc/07/89/70/1036078970.db2.gz AVCYXRKRGKMSCJ-IEBWSBKVSA-N 0 3 324.399 3.582 50 0 DHAAHN Cc1nccn1-c1ccc(CN[C@@H]2CCCc3sccc32)cn1 ZINC000095420607 185360169 /nfs/dbraw/zinc/36/01/69/185360169.db2.gz GXBZOERRARGRIN-MRXNPFEDSA-N 0 3 324.453 3.804 50 0 DHAAHN CCOc1ccc([C@H](C)NCc2ccnc(-n3ccnc3)c2)cc1 ZINC000095421126 185360468 /nfs/dbraw/zinc/36/04/68/185360468.db2.gz GGMHKWVBXRNJLY-HNNXBMFYSA-N 0 3 322.412 3.517 50 0 DHAAHN OCc1cccc(CNCc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000095440068 185365975 /nfs/dbraw/zinc/36/59/75/185365975.db2.gz JAZOZLBWSZTAKW-UHFFFAOYSA-N 0 3 313.294 3.627 50 0 DHAAHN C[C@H](CN1CCCCC1)OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000080346550 192150351 /nfs/dbraw/zinc/15/03/51/192150351.db2.gz XSTILHRJJFUTQB-DGTBMVLOSA-N 0 3 305.462 3.620 50 0 DHAAHN CCC(=O)O[C@@]1(c2ccccc2)CCN(C)[C@@H]1c1ccccc1 ZINC000071767065 191028700 /nfs/dbraw/zinc/02/87/00/191028700.db2.gz FFEVEWPSMCPLDX-WOJBJXKFSA-N 0 3 309.409 3.912 50 0 DHAAHN Fc1ccc(OC[C@H]2CCCN(Cc3ccncc3)C2)cc1 ZINC000072130628 191044236 /nfs/dbraw/zinc/04/42/36/191044236.db2.gz BNAKXXUJFYRMES-INIZCTEOSA-N 0 3 300.377 3.512 50 0 DHAAHN Cc1ncsc1CCN(C)Cc1ccc([C@H]2CCCCO2)o1 ZINC000072412457 191155675 /nfs/dbraw/zinc/15/56/75/191155675.db2.gz YFHMBOIGOQTBEA-OAHLLOKOSA-N 0 3 320.458 3.961 50 0 DHAAHN Cc1cncc(-n2ccnc2-c2ccc([C@@H](C)N(C)C)cc2)c1 ZINC000072427117 191160790 /nfs/dbraw/zinc/16/07/90/191160790.db2.gz ALRNXVJNFPCSOL-OAHLLOKOSA-N 0 3 306.413 3.865 50 0 DHAAHN CSCC1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072433749 191163892 /nfs/dbraw/zinc/16/38/92/191163892.db2.gz REQXIBCHJIOKGH-UHFFFAOYSA-N 0 3 321.530 3.965 50 0 DHAAHN Cc1cccc2c(CN3CCC[C@@]4(CN(C)C(=O)O4)C3)cccc12 ZINC000072475736 191176549 /nfs/dbraw/zinc/17/65/49/191176549.db2.gz RBDFUHKWHVPZBQ-HXUWFJFHSA-N 0 3 324.424 3.565 50 0 DHAAHN O[C@]12CCCC[C@H]1[C@H](c1ccc(Cl)cc1Cl)NCC2 ZINC000004029525 181064500 /nfs/dbraw/zinc/06/45/00/181064500.db2.gz INWMRQARFUAODH-QEJZJMRPSA-N 0 3 300.229 3.949 50 0 biogenic DHAAHN C[C@@H]1CCC[C@@H](N2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004133697 181077572 /nfs/dbraw/zinc/07/75/72/181077572.db2.gz RVWFFGFGNAMNDI-RHSMWYFYSA-N 0 3 320.864 3.677 50 0 DHAAHN Cc1sc(NC(=O)c2ccco2)c(CN2CCCC2)c1C ZINC000004276331 181091416 /nfs/dbraw/zinc/09/14/16/181091416.db2.gz OSYNHLITICLANY-UHFFFAOYSA-N 0 3 304.415 3.806 50 0 DHAAHN O=C(OCCN1CCCCC1)c1ccc(Cl)cc1Cl ZINC000004692414 181137889 /nfs/dbraw/zinc/13/78/89/181137889.db2.gz ZETYXPLBAIGRQV-UHFFFAOYSA-N 0 3 302.201 3.636 50 0 DHAAHN O=C(Cc1ccccc1)Nc1ccc(CN2CCCCC2)cc1 ZINC000004993630 181186795 /nfs/dbraw/zinc/18/67/95/181186795.db2.gz UBIKSGKNWKJABS-UHFFFAOYSA-N 0 3 308.425 3.854 50 0 DHAAHN CCCN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 ZINC000005833996 181287438 /nfs/dbraw/zinc/28/74/38/181287438.db2.gz YSONYEIWWIFWEV-MRXNPFEDSA-N 0 3 307.393 3.948 50 0 DHAAHN Cc1cccc(C)c1NC(=O)CN[C@H](C)CCc1ccccc1 ZINC000006653268 181366054 /nfs/dbraw/zinc/36/60/54/181366054.db2.gz LOZNUBMYQGYUNT-QGZVFWFLSA-N 0 3 310.441 3.853 50 0 DHAAHN CCN1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000006725332 181377489 /nfs/dbraw/zinc/37/74/89/181377489.db2.gz CBJGODWINMLLOY-UHFFFAOYSA-N 0 3 316.232 3.599 50 0 DHAAHN Cc1c2cc(C)ccc2[nH]c1CN1CC[C@](C)(O)C(C)(C)C1 ZINC000091769590 193103652 /nfs/dbraw/zinc/10/36/52/193103652.db2.gz TXYYIFMDRVPABF-IBGZPJMESA-N 0 3 300.446 3.768 50 0 DHAAHN CC(C)CC[C@@H]1CCC[C@H]1N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000221937223 201596993 /nfs/dbraw/zinc/59/69/93/201596993.db2.gz SNCPXSYICPIVIM-IAOVAPTHSA-N 0 3 306.425 3.547 50 0 DHAAHN C[C@H]1CC[C@@H](CO)CN1Cc1ccccc1OC1CCCC1 ZINC000093737860 193297787 /nfs/dbraw/zinc/29/77/87/193297787.db2.gz WRQZBIYTGHVIJU-JKSUJKDBSA-N 0 3 303.446 3.601 50 0 DHAAHN Cc1cccc(-c2n[nH]cc2CN(C)CCc2nccs2)c1 ZINC000093843905 193317741 /nfs/dbraw/zinc/31/77/41/193317741.db2.gz JRHQRHMHHIMLFU-UHFFFAOYSA-N 0 3 312.442 3.516 50 0 DHAAHN C[C@@H](c1cccc(Br)c1)N1CCN2CCCC[C@@H]2C1 ZINC000094432240 193370182 /nfs/dbraw/zinc/37/01/82/193370182.db2.gz XUBABOMOGAUIIY-XJKSGUPXSA-N 0 3 323.278 3.680 50 0 DHAAHN CN(C)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000017112783 182075974 /nfs/dbraw/zinc/07/59/74/182075974.db2.gz KAGQPWOYOQZXGZ-INIZCTEOSA-N 0 3 307.478 3.702 50 0 DHAAHN CSc1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000019363964 182119039 /nfs/dbraw/zinc/11/90/39/182119039.db2.gz IXGVAWRSYYYDKR-UHFFFAOYSA-N 0 3 304.503 3.859 50 0 DHAAHN CN(CCc1ccccn1)Cc1cccc(Br)c1 ZINC000019607066 182133321 /nfs/dbraw/zinc/13/33/21/182133321.db2.gz MQHGIIIDPSFOPG-UHFFFAOYSA-N 0 3 305.219 3.519 50 0 DHAAHN CC1=C(C)[C@H](N[C@@H]2CCC[C@@H](C)[C@@H]2C)N(CCC(C)C)C1=O ZINC000020131064 182190188 /nfs/dbraw/zinc/19/01/88/182190188.db2.gz QTRVLQKYYQBXGS-LTCOOKNTSA-N 0 3 306.494 3.952 50 0 DHAAHN CCN1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000020608755 182237594 /nfs/dbraw/zinc/23/75/94/182237594.db2.gz VZTKVXOWYGJJFY-UHFFFAOYSA-N 0 3 320.502 3.621 50 0 DHAAHN c1[nH]c(-c2ccccc2)nc1CN1CCN(C2CCCCC2)CC1 ZINC000020999708 182258769 /nfs/dbraw/zinc/25/87/69/182258769.db2.gz XYJRUHLFUOFJKW-UHFFFAOYSA-N 0 3 324.472 3.527 50 0 DHAAHN CCN(CCN(C)C)Cc1cccc(OCc2ccccc2)c1 ZINC000022044982 182306351 /nfs/dbraw/zinc/30/63/51/182306351.db2.gz CLAIDKJLZYGEHQ-UHFFFAOYSA-N 0 3 312.457 3.649 50 0 DHAAHN O=C(NCC1(N2CCCCC2)CCCCC1)c1cccs1 ZINC000022414067 182320934 /nfs/dbraw/zinc/32/09/34/182320934.db2.gz YFLGNHDCAWHOST-UHFFFAOYSA-N 0 3 306.475 3.667 50 0 DHAAHN Cc1ccc(N(C[C@@H](O)CN2CCCCC2)c2ccccc2)cc1 ZINC000022216153 182313781 /nfs/dbraw/zinc/31/37/81/182313781.db2.gz GXZBMQKUWBEVGB-NRFANRHFSA-N 0 3 324.468 3.980 50 0 DHAAHN c1ccc(COC2CCN(CCOc3ccccc3)CC2)cc1 ZINC000040018032 183028101 /nfs/dbraw/zinc/02/81/01/183028101.db2.gz SUXVQUJCZPHGFY-UHFFFAOYSA-N 0 3 311.425 3.747 50 0 DHAAHN COc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000039772192 183021839 /nfs/dbraw/zinc/02/18/39/183021839.db2.gz GJFMBUUKNHBDOX-UHFFFAOYSA-N 0 3 324.424 3.546 50 0 DHAAHN Cn1ncc2c1CCC[C@@H]2NCc1cccc(C(F)(F)F)c1 ZINC000042229418 183245030 /nfs/dbraw/zinc/24/50/30/183245030.db2.gz WZVMSSLVZWQECD-AWEZNQCLSA-N 0 3 309.335 3.606 50 0 DHAAHN O[C@H](CN1CC[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000106757511 194249988 /nfs/dbraw/zinc/24/99/88/194249988.db2.gz XXXVGSWKBKQDCE-MAUKXSAKSA-N 0 3 301.817 3.863 50 0 DHAAHN CCc1ccccc1CN1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055414112 183986745 /nfs/dbraw/zinc/98/67/45/183986745.db2.gz XXJWKBYVPYNENW-UHFFFAOYSA-N 0 3 310.445 3.555 50 0 DHAAHN CC(C)[C@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000057315424 184033103 /nfs/dbraw/zinc/03/31/03/184033103.db2.gz AAVNHHQXYQPJII-KRWDZBQOSA-N 0 3 317.820 3.660 50 0 DHAAHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000058160743 184082234 /nfs/dbraw/zinc/08/22/34/184082234.db2.gz WOMYCCHEVCKNIG-MNOVXSKESA-N 0 3 322.330 3.782 50 0 DHAAHN Clc1ccc2cccnc2c1CN1CCCN(C2CC2)CC1 ZINC000058391428 184111325 /nfs/dbraw/zinc/11/13/25/184111325.db2.gz KBLJDVFELCTRQW-UHFFFAOYSA-N 0 3 315.848 3.558 50 0 DHAAHN CC(=O)N1CCCC[C@H]1C1=CCCN(C/C=C/c2ccccc2)C1 ZINC000065433132 184343916 /nfs/dbraw/zinc/34/39/16/184343916.db2.gz OPGZCNQBLNDYPE-AKERNLMBSA-N 0 3 324.468 3.733 50 0 DHAAHN C[C@H](CNC(=O)NC1CCCCCCC1)N1CCC(C)CC1 ZINC000065477795 184352377 /nfs/dbraw/zinc/35/23/77/184352377.db2.gz KJIAUBMDSQGPFF-MRXNPFEDSA-N 0 3 309.498 3.519 50 0 DHAAHN CC(C)Cc1ncc(CNC[C@@H]2COc3ccccc32)s1 ZINC000288664236 131334540 /nfs/dbraw/zinc/33/45/40/131334540.db2.gz VYUHDFCKTFUYEW-CYBMUJFWSA-N 0 3 302.443 3.607 50 0 DHAAHN Cc1cnn(CCN[C@H]2CCCOc3c(Cl)cc(C)cc32)c1 ZINC000123867436 340795892 /nfs/dbraw/zinc/79/58/92/340795892.db2.gz VCTNQOXMHAYWHJ-INIZCTEOSA-N 0 3 319.836 3.657 50 0 DHAAHN CN1CCCC[C@H]1CCSc1nnc(Cc2cccs2)o1 ZINC000283783043 536357894 /nfs/dbraw/zinc/35/78/94/536357894.db2.gz DMWATUWZQQUAOQ-LBPRGKRZSA-N 0 3 323.487 3.688 50 0 DHAAHN CN(CCC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000000255031 563234167 /nfs/dbraw/zinc/23/41/67/563234167.db2.gz ZHIQVKLHMZKQFJ-UHFFFAOYSA-N 0 3 308.425 3.636 50 0 DHAAHN O=C(OCCN1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000000289144 563236599 /nfs/dbraw/zinc/23/65/99/563236599.db2.gz BXPWUOQQRMOUIT-UHFFFAOYSA-N 0 3 323.436 3.848 50 0 DHAAHN C[C@H](CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000000383095 563248242 /nfs/dbraw/zinc/24/82/42/563248242.db2.gz BVODEVLJXZALEU-QGZVFWFLSA-N 0 3 323.436 3.846 50 0 DHAAHN CC[C@H](CO)NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000008337136 563346100 /nfs/dbraw/zinc/34/61/00/563346100.db2.gz BDVAVLGXDKQPIE-QGZVFWFLSA-N 0 3 319.832 3.780 50 0 DHAAHN OCC1(CCCc2ccccc2)CCN(Cc2cccnc2)CC1 ZINC000011820728 563359836 /nfs/dbraw/zinc/35/98/36/563359836.db2.gz DCMQOPJAKUAIRL-UHFFFAOYSA-N 0 3 324.468 3.679 50 0 DHAAHN CC(C)Cc1c[nH]nc1[C@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000012151073 563363377 /nfs/dbraw/zinc/36/33/77/563363377.db2.gz FOOHPDASMCFZGG-INIZCTEOSA-N 0 3 313.445 3.693 50 0 DHAAHN Cc1c(C)n(Cc2ccncc2)c2nc3c(c(N)c12)CCCCC3 ZINC000012325109 563366427 /nfs/dbraw/zinc/36/64/27/563366427.db2.gz AKVARBPPRZMTIS-UHFFFAOYSA-N 0 3 320.440 3.948 50 0 DHAAHN Clc1ccc(-c2noc3c2CN(C2CCOCC2)CC3)cc1 ZINC000012582220 563371442 /nfs/dbraw/zinc/37/14/42/563371442.db2.gz CUXHIUSTYNHCMP-UHFFFAOYSA-N 0 3 318.804 3.532 50 0 DHAAHN CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000014197530 563397620 /nfs/dbraw/zinc/39/76/20/563397620.db2.gz CGHMRMLHESSVAF-UHFFFAOYSA-N 0 3 310.441 3.715 50 0 DHAAHN Cc1ccccc1[C@@H](C)NCc1ccc(-n2cncn2)c(F)c1 ZINC000032900919 563410243 /nfs/dbraw/zinc/41/02/43/563410243.db2.gz ARIJHOMXFVDGHR-CQSZACIVSA-N 0 3 310.376 3.566 50 0 DHAAHN O=C(CN1CCC[C@@H]1Cc1ccccc1)NC1CCCCCC1 ZINC000025358809 563422854 /nfs/dbraw/zinc/42/28/54/563422854.db2.gz OHERQEICSXBKTG-LJQANCHMSA-N 0 3 314.473 3.533 50 0 DHAAHN CCCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027581886 563428858 /nfs/dbraw/zinc/42/88/58/563428858.db2.gz IFEKPPILQYZJHT-GOSISDBHSA-N 0 3 302.462 3.828 50 0 DHAAHN C[C@H](C(=O)NC1CCCC1)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000027782550 563430110 /nfs/dbraw/zinc/43/01/10/563430110.db2.gz KWKRPTVSPCFPNH-ZIUDEIKKSA-N 0 3 318.505 3.582 50 0 DHAAHN OC[C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000023280238 563449141 /nfs/dbraw/zinc/44/91/41/563449141.db2.gz WVDADVYSGCYRMN-CYBMUJFWSA-N 0 3 305.805 3.804 50 0 DHAAHN Cc1cc(C)c(CN2CCC[C@@H]2c2ccccn2)c(C)c1CO ZINC000055245275 563472602 /nfs/dbraw/zinc/47/26/02/563472602.db2.gz YVCIOGQAIDYMNC-HXUWFJFHSA-N 0 3 310.441 3.836 50 0 DHAAHN C[C@H](C(=O)N(Cc1cccs1)C1CC1)[C@@H](N)c1ccccc1 ZINC000096467581 563483947 /nfs/dbraw/zinc/48/39/47/563483947.db2.gz AWRBBEVNXAUPRZ-SUMWQHHRSA-N 0 3 314.454 3.575 50 0 DHAAHN CCc1ccc(CN2CCC(c3cc(C(C)C)[nH]n3)CC2)nc1 ZINC000067921594 563493543 /nfs/dbraw/zinc/49/35/43/563493543.db2.gz PPFCKUVGJHTCKH-UHFFFAOYSA-N 0 3 312.461 3.870 50 0 DHAAHN CCc1ccc(CN2CCC(c3cc(C(C)C)n[nH]3)CC2)nc1 ZINC000067921594 563493544 /nfs/dbraw/zinc/49/35/44/563493544.db2.gz PPFCKUVGJHTCKH-UHFFFAOYSA-N 0 3 312.461 3.870 50 0 DHAAHN Cc1ccc2cc(CN(Cc3cccnc3)C(C)C)c(=O)[nH]c2c1 ZINC000067956014 563493825 /nfs/dbraw/zinc/49/38/25/563493825.db2.gz IJCYFFOOPSSKLT-UHFFFAOYSA-N 0 3 321.424 3.642 50 0 DHAAHN Cc1ccc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1C ZINC000071278954 563498460 /nfs/dbraw/zinc/49/84/60/563498460.db2.gz CSYFTMWGQACJIJ-SFHVURJKSA-N 0 3 316.489 3.678 50 0 DHAAHN c1cc(Oc2ccccc2)oc1CN1CCC(c2nc[nH]n2)CC1 ZINC000097057388 563504839 /nfs/dbraw/zinc/50/48/39/563504839.db2.gz GBLYZSXIGDPNNN-UHFFFAOYSA-N 0 3 324.384 3.570 50 0 DHAAHN Cc1cccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 ZINC000077535887 563511850 /nfs/dbraw/zinc/51/18/50/563511850.db2.gz BTLRUIKRIVMSNW-HNNXBMFYSA-N 0 3 306.413 3.646 50 0 DHAAHN C[C@H](CCN[C@@H](C)c1cc2cc(Cl)ccc2o1)[S@](C)=O ZINC000097034753 563516017 /nfs/dbraw/zinc/51/60/17/563516017.db2.gz RZYBPQYEYUABPM-QZXWKGOOSA-N 0 3 313.850 3.894 50 0 DHAAHN COc1ccc2[nH]c(CN3CCC(c4cc[nH]n4)CC3)c(C)c2c1 ZINC000097505254 563539266 /nfs/dbraw/zinc/53/92/66/563539266.db2.gz WBHUMAGOPJJSEP-UHFFFAOYSA-N 0 3 324.428 3.588 50 0 DHAAHN Cc1noc(C)c1[C@@H]1CCCN1Cc1cccc(-n2cccn2)c1 ZINC000097766398 563542412 /nfs/dbraw/zinc/54/24/12/563542412.db2.gz WACPKAKGEHBNIC-SFHVURJKSA-N 0 3 322.412 3.814 50 0 DHAAHN CC(C)Oc1ccc(Cl)cc1CNCCOc1ccccn1 ZINC000113395740 563581514 /nfs/dbraw/zinc/58/15/14/563581514.db2.gz GPLHLKKBEYWJKV-UHFFFAOYSA-N 0 3 320.820 3.691 50 0 DHAAHN COc1cc(CN[C@@H](C)c2ccccc2C)cc2c1OCCO2 ZINC000014137397 563665234 /nfs/dbraw/zinc/66/52/34/563665234.db2.gz BYKUARXRNNQKTR-AWEZNQCLSA-N 0 3 313.397 3.626 50 0 DHAAHN CCSc1nnc(SCC[C@@H]2CCCCN2C)s1 ZINC000044865555 563684943 /nfs/dbraw/zinc/68/49/43/563684943.db2.gz UJEPMFGTYUSYAE-JTQLQIEISA-N 0 3 303.522 3.617 50 0 DHAAHN CCCCCNC(=O)C1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000045944981 563691109 /nfs/dbraw/zinc/69/11/09/563691109.db2.gz MLVFUTYDYKNMRA-HNNXBMFYSA-N 0 3 320.452 3.905 50 0 DHAAHN Cc1n[nH]c(C)c1CCN(C)Cc1ccc([C@H]2CCCO2)s1 ZINC000215135883 563704640 /nfs/dbraw/zinc/70/46/40/563704640.db2.gz HNKCFRKONSQCSJ-MRXNPFEDSA-N 0 3 319.474 3.614 50 0 DHAAHN Cc1ccccc1-n1cc(CN(C)CCC[C@H]2CCCO2)cn1 ZINC000216205242 563708323 /nfs/dbraw/zinc/70/83/23/563708323.db2.gz ZQRYSNZHGFUNTF-SFHVURJKSA-N 0 3 313.445 3.572 50 0 DHAAHN Cc1ccc([C@H](C)CCN(C)Cc2n[nH]c3c2CCCC3)o1 ZINC000216445277 563709875 /nfs/dbraw/zinc/70/98/75/563709875.db2.gz PJYMTCHXKQUOHD-CYBMUJFWSA-N 0 3 301.434 3.816 50 0 DHAAHN c1cnc2cccc(CN3CCN(CC4CCCC4)CC3)c2c1 ZINC000219320234 563718637 /nfs/dbraw/zinc/71/86/37/563718637.db2.gz KZUPXMABWSUXMG-UHFFFAOYSA-N 0 3 309.457 3.543 50 0 DHAAHN CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000221937095 563723839 /nfs/dbraw/zinc/72/38/39/563723839.db2.gz SNCPXSYICPIVIM-RRQGHBQHSA-N 0 3 306.425 3.547 50 0 DHAAHN C[C@@H]1C[C@@H]1[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000221847305 563724042 /nfs/dbraw/zinc/72/40/42/563724042.db2.gz QBFAPZJYBWVMFE-LJRRSDMTSA-N 0 3 313.466 3.911 50 0 DHAAHN CCCOc1ccc(CNCc2c(C)nn(CC)c2C)c(C)c1 ZINC000242302375 563778475 /nfs/dbraw/zinc/77/84/75/563778475.db2.gz YSBSKJUUNPVHHU-UHFFFAOYSA-N 0 3 315.461 3.907 50 0 DHAAHN O=C(CC1CCCC1)NCCN1CCC(c2ccccc2)CC1 ZINC000244724433 563778932 /nfs/dbraw/zinc/77/89/32/563778932.db2.gz MTZOCNOELQQDJL-UHFFFAOYSA-N 0 3 314.473 3.563 50 0 DHAAHN C[C@H](c1ccccn1)N(C)CCC(=O)Nc1ccccc1Cl ZINC000244633391 563778951 /nfs/dbraw/zinc/77/89/51/563778951.db2.gz GCEJDZIRDXWIGJ-CYBMUJFWSA-N 0 3 317.820 3.757 50 0 DHAAHN Cc1nccn1CCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000244873307 563779793 /nfs/dbraw/zinc/77/97/93/563779793.db2.gz WNWRZKYSMMPWLG-GOSISDBHSA-N 0 3 323.444 3.685 50 0 DHAAHN CCCn1nc(CNCCc2ccccc2)c(-c2ccccc2)n1 ZINC000247984721 563782164 /nfs/dbraw/zinc/78/21/64/563782164.db2.gz IGPJDAXULBGKME-UHFFFAOYSA-N 0 3 320.440 3.687 50 0 DHAAHN Cc1cc(Cl)ccc1CNCc1cccnc1-n1ccnc1 ZINC000128892292 563783438 /nfs/dbraw/zinc/78/34/38/563783438.db2.gz CRSQVSTZQGVWMM-UHFFFAOYSA-N 0 3 312.804 3.519 50 0 DHAAHN CN(C)[C@@H](CNc1ncnc2sccc21)c1ccc(F)cc1 ZINC000052486038 563788016 /nfs/dbraw/zinc/78/80/16/563788016.db2.gz PMJHHULDMOORBX-AWEZNQCLSA-N 0 3 316.405 3.545 50 0 DHAAHN CC1CCN(CCOc2ccc(Br)cc2F)CC1 ZINC000230554984 563800687 /nfs/dbraw/zinc/80/06/87/563800687.db2.gz ZKKHOZBRBIELHT-UHFFFAOYSA-N 0 3 316.214 3.699 50 0 DHAAHN C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F ZINC000012553169 563800992 /nfs/dbraw/zinc/80/09/92/563800992.db2.gz VMZOXZLEGDCPIP-MEDUHNTESA-N 0 3 316.351 3.569 50 0 DHAAHN CCCc1cc(C(=O)N[C@@H](C)CN2CCC(C)CC2)cs1 ZINC000001460422 563836528 /nfs/dbraw/zinc/83/65/28/563836528.db2.gz ZPNBAPHAJROSLG-AWEZNQCLSA-N 0 3 308.491 3.551 50 0 DHAAHN CC[C@@H](NC1CCC(O)CC1)c1ccccc1Br ZINC000090799940 563876099 /nfs/dbraw/zinc/87/60/99/563876099.db2.gz PLPVAJDXMFRYNJ-KOHJWAIASA-N 0 3 312.251 3.793 50 0 DHAAHN CC1=C(C)[C@H](N[C@@H]2CCC[C@@H](C)[C@H]2C)N(CCC(C)C)C1=O ZINC000245253796 563881716 /nfs/dbraw/zinc/88/17/16/563881716.db2.gz QTRVLQKYYQBXGS-DTTOXWODSA-N 0 3 306.494 3.952 50 0 DHAAHN CN(Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCSC1 ZINC000089356051 563884755 /nfs/dbraw/zinc/88/47/55/563884755.db2.gz IPQGVFLXCLXXMU-QGZVFWFLSA-N 0 3 314.454 3.598 50 0 DHAAHN Cc1cc([C@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 ZINC000089580459 563891116 /nfs/dbraw/zinc/89/11/16/563891116.db2.gz SSQFQZADRGIFRN-KBPBESRZSA-N 0 3 310.401 3.889 50 0 DHAAHN CC(C)N(Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036103078 563893334 /nfs/dbraw/zinc/89/33/34/563893334.db2.gz OFJPXLWDVCHXJC-SFHVURJKSA-N 0 3 301.405 3.640 50 0 DHAAHN CC(C)OC[C@H](O)CN(Cc1cccs1)Cc1ccccc1 ZINC000036103317 563893999 /nfs/dbraw/zinc/89/39/99/563893999.db2.gz ZRGBNHGFCOGFEK-QGZVFWFLSA-N 0 3 319.470 3.536 50 0 DHAAHN Cc1cc(C)c2c(n1)sc1c2ncnc1SCCN(C)C ZINC000036640151 563902367 /nfs/dbraw/zinc/90/23/67/563902367.db2.gz YFPDEHZJQNXWMB-UHFFFAOYSA-N 0 3 318.471 3.510 50 0 DHAAHN CCC[C@H]1CCCN(Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000170596951 563907164 /nfs/dbraw/zinc/90/71/64/563907164.db2.gz ILVCOLYTSPUCFQ-HNNXBMFYSA-N 0 3 316.449 3.786 50 0 DHAAHN O=C(Nc1ccccc1[O-])C1CC[NH+](CC2CCCCC2)CC1 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314.473 3.902 50 0 DHAAHN FC(F)(F)c1cccc(CNC[C@H]2COc3ccccc3O2)c1 ZINC000058169322 184083903 /nfs/dbraw/zinc/08/39/03/184083903.db2.gz WYIYCPCRHZEXCD-AWEZNQCLSA-N 0 3 323.314 3.635 50 0 DHAAHN Clc1cc(CN2CCCN(Cc3cccs3)CC2)ccn1 ZINC000058151201 184081645 /nfs/dbraw/zinc/08/16/45/184081645.db2.gz XAEDQDYMIUECPB-UHFFFAOYSA-N 0 3 321.877 3.504 50 0 DHAAHN CC(C)(C)CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000058289635 184100612 /nfs/dbraw/zinc/10/06/12/184100612.db2.gz ZQNIVUINEKKDOF-CQSZACIVSA-N 0 3 308.491 3.513 50 0 DHAAHN Cc1noc(CN2CCC[C@@H]2Cc2cccc3ccccc32)n1 ZINC000060890405 184157615 /nfs/dbraw/zinc/15/76/15/184157615.db2.gz ZSWPVJVOWQAUAS-QGZVFWFLSA-N 0 3 307.397 3.738 50 0 DHAAHN COc1ccc(OC)c([C@H]2CCN(Cc3cccs3)C2)c1 ZINC000065393929 184334658 /nfs/dbraw/zinc/33/46/58/184334658.db2.gz UVCYZTXYDUTRBD-ZDUSSCGKSA-N 0 3 303.427 3.755 50 0 DHAAHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000157236788 197172533 /nfs/dbraw/zinc/17/25/33/197172533.db2.gz XMPSKZSAWMRXOM-HOCLYGCPSA-N 0 3 318.461 3.525 50 0 DHAAHN CCc1nccn1C[C@H](C)NC1(c2ccc(Cl)cc2)CC1 ZINC000534658843 334315031 /nfs/dbraw/zinc/31/50/31/334315031.db2.gz UVOYORBBXIAMCV-ZDUSSCGKSA-N 0 3 303.837 3.766 50 0 DHAAHN CC(C)N(CCN1CCCCCC1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000345960857 335364155 /nfs/dbraw/zinc/36/41/55/335364155.db2.gz MBOIEKKGXKYNRZ-OAHLLOKOSA-N 0 3 316.436 3.535 50 0 DHAAHN CC1(C)C[C@@H](O)CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000395308527 336091446 /nfs/dbraw/zinc/09/14/46/336091446.db2.gz FTFDOXAPVCGOQY-ZDUSSCGKSA-N 0 3 301.352 3.688 50 0 DHAAHN CN(C)C[C@@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000089844291 341409946 /nfs/dbraw/zinc/40/99/46/341409946.db2.gz PDCVUUYYTAZEIN-SFHVURJKSA-N 0 3 312.413 3.503 50 0 DHAAHN CN1CCCC[C@@H]1CCSc1nnc(Cc2cccs2)o1 ZINC000283783040 536354852 /nfs/dbraw/zinc/35/48/52/536354852.db2.gz DMWATUWZQQUAOQ-GFCCVEGCSA-N 0 3 323.487 3.688 50 0 DHAAHN C/C(=C/Cc1c(C)nc(N)nc1N)c1ccc(Cl)c(Cl)c1 ZINC000211018172 563784828 /nfs/dbraw/zinc/78/48/28/563784828.db2.gz YEEIFOVOJGLXNO-BAQGIRSFSA-N 0 3 323.227 3.902 50 0 DHAAHN CCc1ccccc1NC(=O)C[C@@H](C)NCc1cccs1 ZINC000089289564 563884001 /nfs/dbraw/zinc/88/40/01/563884001.db2.gz OFLRPURJOYBZCI-CYBMUJFWSA-N 0 3 302.443 3.817 50 0 DHAAHN COc1ccccc1N1CCN(Cc2cc(C)ccc2C)CC1 ZINC000000292099 563236613 /nfs/dbraw/zinc/23/66/13/563236613.db2.gz HCLPOFYOEYTQRK-UHFFFAOYSA-N 0 3 310.441 3.634 50 0 DHAAHN CCOC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000001662238 563289946 /nfs/dbraw/zinc/28/99/46/563289946.db2.gz DLCANSQBMBAXDJ-UHFFFAOYSA-N 0 3 323.436 3.784 50 0 DHAAHN CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000001717372 563293077 /nfs/dbraw/zinc/29/30/77/563293077.db2.gz JGOAIQNSOGZNBX-UHFFFAOYSA-N 0 3 311.425 3.704 50 0 in-man DHAAHN C[C@@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000004685793 563327503 /nfs/dbraw/zinc/32/75/03/563327503.db2.gz VNTNOLGODDWLEJ-RHSMWYFYSA-N 0 3 320.864 3.677 50 0 DHAAHN O=C(NCCc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010313790 563355966 /nfs/dbraw/zinc/35/59/66/563355966.db2.gz YOFARXNCYRVAHJ-UHFFFAOYSA-N 0 3 322.452 3.645 50 0 DHAAHN Fc1ccc(CC[C@H]2CCCN(Cc3c[nH]cn3)C2)cc1F ZINC000012297172 563365760 /nfs/dbraw/zinc/36/57/60/563365760.db2.gz QNUNXGPXVQIVIR-CQSZACIVSA-N 0 3 305.372 3.533 50 0 DHAAHN Fc1ccc(CC[C@H]2CCCN(Cc3cnc[nH]3)C2)cc1F ZINC000012297172 563365762 /nfs/dbraw/zinc/36/57/62/563365762.db2.gz QNUNXGPXVQIVIR-CQSZACIVSA-N 0 3 305.372 3.533 50 0 DHAAHN CN(C)Cc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000014164754 563397016 /nfs/dbraw/zinc/39/70/16/563397016.db2.gz MEFBPJSFPKBXSL-UHFFFAOYSA-N 0 3 317.820 3.723 50 0 DHAAHN CCc1sc(C(=O)NCc2cccc(CN(C)C)c2)cc1C ZINC000032818612 563398455 /nfs/dbraw/zinc/39/84/55/563398455.db2.gz DSQVXYGIFBOEJL-UHFFFAOYSA-N 0 3 316.470 3.611 50 0 DHAAHN CCN(CC)[C@H](CNC(=O)c1cccc(C)c1)c1ccccc1 ZINC000028291878 563431721 /nfs/dbraw/zinc/43/17/21/563431721.db2.gz DNIHMFUCJATLTQ-LJQANCHMSA-N 0 3 310.441 3.808 50 0 DHAAHN CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N)C[C@H]1CC ZINC000034041506 563446128 /nfs/dbraw/zinc/44/61/28/563446128.db2.gz AZFYCLSCZLWMBW-PWSUYJOCSA-N 0 3 316.323 3.850 50 0 DHAAHN Clc1cccc(CNCCCOc2ccccn2)c1Cl ZINC000035287337 563452631 /nfs/dbraw/zinc/45/26/31/563452631.db2.gz JNZDOQZSXDGGCY-UHFFFAOYSA-N 0 3 311.212 3.947 50 0 DHAAHN CC1(C)Cc2cc(CN3CCC[C@H](c4cc[nH]n4)C3)ccc2O1 ZINC000067541397 563488098 /nfs/dbraw/zinc/48/80/98/563488098.db2.gz CFYAHQCOCWWVFQ-HNNXBMFYSA-N 0 3 311.429 3.503 50 0 DHAAHN CCCc1nc(CN[C@@H]2CCc3ccc(OC)cc3C2)cs1 ZINC000067833786 563491779 /nfs/dbraw/zinc/49/17/79/563491779.db2.gz BLIMTGPHLHJYNS-OAHLLOKOSA-N 0 3 316.470 3.751 50 0 DHAAHN CC1=C(c2ccccc2)[C@H]1c1nc(CC2CCN(C)CC2)no1 ZINC000067921054 563493164 /nfs/dbraw/zinc/49/31/64/563493164.db2.gz YFVVIARAPPHEFQ-SFHVURJKSA-N 0 3 309.413 3.525 50 0 DHAAHN C[C@H]1CCCN(Cc2cccc(C(=O)Nc3nccs3)c2)C1 ZINC000067884667 563493207 /nfs/dbraw/zinc/49/32/07/563493207.db2.gz YFALZGUUQACBID-ZDUSSCGKSA-N 0 3 315.442 3.627 50 0 DHAAHN C[C@@H]1CCCN(Cc2cccc(C(=O)Nc3nccs3)c2)C1 ZINC000067884664 563493590 /nfs/dbraw/zinc/49/35/90/563493590.db2.gz YFALZGUUQACBID-CYBMUJFWSA-N 0 3 315.442 3.627 50 0 DHAAHN Cc1c2cc(F)ccc2[nH]c1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067983015 563494586 /nfs/dbraw/zinc/49/45/86/563494586.db2.gz AWFAHZDUESCKMH-CYBMUJFWSA-N 0 3 312.392 3.718 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071575575 563499876 /nfs/dbraw/zinc/49/98/76/563499876.db2.gz RKWZTTIYUVFVMP-INIZCTEOSA-N 0 3 301.409 3.702 50 0 DHAAHN CC(C)CC[C@@H]1CCC[C@@H]1N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000097105404 563505422 /nfs/dbraw/zinc/50/54/22/563505422.db2.gz SNCPXSYICPIVIM-JQFCIGGWSA-N 0 3 306.425 3.547 50 0 DHAAHN COc1ccc(OC)c([C@@H]2CCN(Cc3ccsc3)C2)c1 ZINC000077454348 563511306 /nfs/dbraw/zinc/51/13/06/563511306.db2.gz SXXAEFBLCWJBHI-CQSZACIVSA-N 0 3 303.427 3.755 50 0 DHAAHN Cc1c(NC2CCN(Cc3ccncc3)CC2)cccc1N(C)C ZINC000097082140 563518576 /nfs/dbraw/zinc/51/85/76/563518576.db2.gz ZAZPRHWSCYAQFQ-UHFFFAOYSA-N 0 3 324.472 3.533 50 0 DHAAHN C[C@@H](C(=O)N(C)Cc1ccc(Cl)s1)[C@@H](N)c1ccccc1 ZINC000130224039 563522584 /nfs/dbraw/zinc/52/25/84/563522584.db2.gz OVVXCPMYEKRURL-IAQYHMDHSA-N 0 3 322.861 3.696 50 0 DHAAHN CCCc1nnc(NC[C@H](c2ccccc2)N2CCCCC2)o1 ZINC000095385442 563530086 /nfs/dbraw/zinc/53/00/86/563530086.db2.gz CGNVLZZZFDLRQP-MRXNPFEDSA-N 0 3 314.433 3.661 50 0 DHAAHN C[C@H](Cc1cnccn1)N(C)Cc1ccc(-c2ccco2)cc1 ZINC000097076227 563538036 /nfs/dbraw/zinc/53/80/36/563538036.db2.gz BGLDOBMWMUWEOA-OAHLLOKOSA-N 0 3 307.397 3.800 50 0 DHAAHN CSc1ccc(CN2CCC(c3ccnc(C)n3)CC2)cc1 ZINC000097570927 563540593 /nfs/dbraw/zinc/54/05/93/563540593.db2.gz CEIDTWCPBXRVGZ-UHFFFAOYSA-N 0 3 313.470 3.887 50 0 DHAAHN CCOc1ccc(Cl)cc1CNCCCOc1ccccn1 ZINC000113397372 563581631 /nfs/dbraw/zinc/58/16/31/563581631.db2.gz AGLZQNGRIPRBLX-UHFFFAOYSA-N 0 3 320.820 3.692 50 0 DHAAHN CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1cccc(C)c1 ZINC000248074381 563600033 /nfs/dbraw/zinc/60/00/33/563600033.db2.gz IBOBGBNMCGIYMT-MOPGFXCFSA-N 0 3 314.473 3.923 50 0 DHAAHN CC(C)(C)NC(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008863010 563625649 /nfs/dbraw/zinc/62/56/49/563625649.db2.gz MKYODJSQWCBENN-OAHLLOKOSA-N 0 3 323.506 3.763 50 0 DHAAHN Cc1ccc([C@H](C)NC(=O)CN(C)[C@H](C)C(C)(C)C)cc1C ZINC000109022580 563690072 /nfs/dbraw/zinc/69/00/72/563690072.db2.gz NXNUNTBCTJCGTI-JKSUJKDBSA-N 0 3 304.478 3.847 50 0 DHAAHN Cc1cccc(CNCc2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000048784792 563699803 /nfs/dbraw/zinc/69/98/03/563699803.db2.gz FBRSNRKZZDCDEG-UHFFFAOYSA-N 0 3 311.429 3.815 50 0 DHAAHN Cc1nn(C)cc1CNCC(C)(C)c1ccc(F)cc1Cl ZINC000095975158 563723261 /nfs/dbraw/zinc/72/32/61/563723261.db2.gz BEWAWDWWOOIQQR-UHFFFAOYSA-N 0 3 309.816 3.588 50 0 DHAAHN Cc1ccc(Cl)c(C(=O)N2CCCC[C@H]2CN2CCCC2)c1 ZINC000221316306 563723404 /nfs/dbraw/zinc/72/34/04/563723404.db2.gz FAEGKEAMZQEAKR-HNNXBMFYSA-N 0 3 320.864 3.739 50 0 DHAAHN COc1ccc([C@@H](C)N(C)CCCc2cccnc2)c(OC)c1 ZINC000244773952 563779985 /nfs/dbraw/zinc/77/99/85/563779985.db2.gz PJIMXXJBOHDXGT-OAHLLOKOSA-N 0 3 314.429 3.724 50 0 DHAAHN Cc1nccn1CCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000244873308 563780060 /nfs/dbraw/zinc/78/00/60/563780060.db2.gz WNWRZKYSMMPWLG-SFHVURJKSA-N 0 3 323.444 3.685 50 0 DHAAHN CN1CCN(CC2c3ccccc3C=Cc3ccccc32)CC1 ZINC000252482324 563783933 /nfs/dbraw/zinc/78/39/33/563783933.db2.gz DCWCUUNWRHRDQO-UHFFFAOYSA-N 0 3 304.437 3.550 50 0 DHAAHN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 ZINC000089580454 563891227 /nfs/dbraw/zinc/89/12/27/563891227.db2.gz SSQFQZADRGIFRN-UONOGXRCSA-N 0 3 310.401 3.889 50 0 DHAAHN COc1cccc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)c1 ZINC000008002555 563897574 /nfs/dbraw/zinc/89/75/74/563897574.db2.gz XYPNRQTYPWKMEW-LJQANCHMSA-N 0 3 312.413 3.621 50 0 DHAAHN C[C@@H](N[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1F ZINC000170084554 563903620 /nfs/dbraw/zinc/90/36/20/563903620.db2.gz LWMHWEMSCWUKSY-OWYVNGRQSA-N 0 3 316.214 3.542 50 0 DHAAHN CC(C)C[C@@H](NCCc1cn2ccccc2n1)c1ccccn1 ZINC000089821045 563911406 /nfs/dbraw/zinc/91/14/06/563911406.db2.gz FLQIYKYCGCIGPD-GOSISDBHSA-N 0 3 308.429 3.649 50 0 DHAAHN CCCO[C@H]1CCCN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000076412816 563924198 /nfs/dbraw/zinc/92/41/98/563924198.db2.gz OOCYMHYGCOHHHG-AWEZNQCLSA-N 0 3 324.852 3.560 50 0 DHAAHN CCOc1cccc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000095948893 563932249 /nfs/dbraw/zinc/93/22/49/563932249.db2.gz LASDKEREEVVDLR-UHFFFAOYSA-N 0 3 311.429 3.557 50 0 DHAAHN CC(C)C[C@H](NC[C@](C)(O)c1ccsc1)c1ccccn1 ZINC000095968340 563933084 /nfs/dbraw/zinc/93/30/84/563933084.db2.gz KBCQHUNGCXEDIW-IRXDYDNUSA-N 0 3 304.459 3.728 50 0 DHAAHN Cc1noc(C)c1CN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000095977346 563933741 /nfs/dbraw/zinc/93/37/41/563933741.db2.gz YVQQKNZCUULKBI-HNNXBMFYSA-N 0 3 324.428 3.856 50 0 DHAAHN Cc1noc(C)c1CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000095977346 563933743 /nfs/dbraw/zinc/93/37/43/563933743.db2.gz YVQQKNZCUULKBI-HNNXBMFYSA-N 0 3 324.428 3.856 50 0 DHAAHN Brc1cccc(CN(CC2=CCCOC2)C2CC2)c1 ZINC000095982487 563933925 /nfs/dbraw/zinc/93/39/25/563933925.db2.gz SUYHRSYMCHZTFC-UHFFFAOYSA-N 0 3 322.246 3.760 50 0 DHAAHN CCCOc1ccc(CNC[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000095989203 563934226 /nfs/dbraw/zinc/93/42/26/563934226.db2.gz WDBPPHHAYWXQGQ-GOSISDBHSA-N 0 3 319.445 3.641 50 0 DHAAHN CNC(=O)c1cccc(CN[C@H](CC(C)C)c2cccs2)c1 ZINC000096476718 563937121 /nfs/dbraw/zinc/93/71/21/563937121.db2.gz NXMRMTIACGTHAT-MRXNPFEDSA-N 0 3 316.470 3.985 50 0 DHAAHN CC(=O)Nc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000008328274 563948002 /nfs/dbraw/zinc/94/80/02/563948002.db2.gz OSOBRUNZSHORGS-QGZVFWFLSA-N 0 3 312.438 3.972 50 0 DHAAHN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCCCCC1 ZINC000008717516 563950211 /nfs/dbraw/zinc/95/02/11/563950211.db2.gz XPXBDYFLJZHCHQ-UHFFFAOYSA-N 0 3 313.445 3.691 50 0 DHAAHN CN1CCC(Nc2ccccc2NC(=O)C2CCCCC2)CC1 ZINC000069663577 563954209 /nfs/dbraw/zinc/95/42/09/563954209.db2.gz MGVQKQIIHWCFJB-UHFFFAOYSA-N 0 3 315.461 3.712 50 0 DHAAHN Cc1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1Cl ZINC000084183016 568417821 /nfs/dbraw/zinc/41/78/21/568417821.db2.gz SHFNSQHTHHWPEC-CZUORRHYSA-N 0 3 321.852 3.596 50 0 DHAAHN CC(C)CN(Cc1ccccc1)C(=O)CN1CCCCCC1 ZINC000952963539 1032673088 /nfs/dbraw/zinc/67/30/88/1032673088.db2.gz GZRTYTSJLNQUSV-UHFFFAOYSA-N 0 3 302.462 3.547 50 0 DHAAHN Cc1c[nH]c(CNCC[C@@H](c2ccco2)c2ccc(F)cc2)n1 ZINC000952971277 1032674707 /nfs/dbraw/zinc/67/47/07/1032674707.db2.gz JIQGCCSJTHEBIF-MRXNPFEDSA-N 0 3 313.376 3.762 50 0 DHAAHN COc1cncc(/C=C/CCN2CCC[C@@H]2c2cc(C)no2)c1 ZINC000568388759 1020305528 /nfs/dbraw/zinc/30/55/28/1020305528.db2.gz ROONRGPMNPCZRO-ZNNBYXKUSA-N 0 3 313.401 3.627 50 0 DHAAHN CC(C)Cn1nc([C@H]2CCCCN2CC(C)C)c2c1CCOC2 ZINC000675012086 1022743451 /nfs/dbraw/zinc/74/34/51/1022743451.db2.gz WYXZOVPFQIYNFI-GOSISDBHSA-N 0 3 319.493 3.795 50 0 DHAAHN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C(N)=O)cc2)o1 ZINC000076120597 1028559128 /nfs/dbraw/zinc/55/91/28/1028559128.db2.gz WJDJWQUPNWNYDY-SUMWQHHRSA-N 0 3 312.413 3.660 50 0 DHAAHN CCc1ccccc1Cc1noc(C2CCN(C3CC3)CC2)n1 ZINC000585084237 1029642541 /nfs/dbraw/zinc/64/25/41/1029642541.db2.gz PZRJAHVVUSBTFD-UHFFFAOYSA-N 0 3 311.429 3.565 50 0 DHAAHN O=C(c1ccc2ccccc2c1)N1CCC[C@H](N2CCCC2)C1 ZINC000076925877 185055907 /nfs/dbraw/zinc/05/59/07/185055907.db2.gz IBTJSQSXMKHUAS-IBGZPJMESA-N 0 3 308.425 3.540 50 0 DHAAHN O=C(c1ccc2ccccc2c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000076925878 185056051 /nfs/dbraw/zinc/05/60/51/185056051.db2.gz IBTJSQSXMKHUAS-LJQANCHMSA-N 0 3 308.425 3.540 50 0 DHAAHN CC(C)C[C@H](NCCNC(=O)c1ccccc1)c1ccccc1 ZINC000079015302 185146363 /nfs/dbraw/zinc/14/63/63/185146363.db2.gz IDPFXIURGIFVBL-IBGZPJMESA-N 0 3 310.441 3.793 50 0 DHAAHN CCCN1C[C@H]2CC[C@@H]1CN(Cc1c(F)cccc1Cl)C2 ZINC000095390310 185351478 /nfs/dbraw/zinc/35/14/78/185351478.db2.gz LPWQPDVRFJAZHT-UONOGXRCSA-N 0 3 310.844 3.785 50 0 DHAAHN C[C@H](NCCCn1ccnc1)c1nc(-c2ccccc2)cs1 ZINC000095419104 185359684 /nfs/dbraw/zinc/35/96/84/185359684.db2.gz UVEPHHNWSUNNCS-AWEZNQCLSA-N 0 3 312.442 3.748 50 0 DHAAHN Cc1cccc(C)c1NC(=O)CN[C@@H](C)Cc1ccsc1 ZINC000095419323 185359964 /nfs/dbraw/zinc/35/99/64/185359964.db2.gz JYLDHIHPOQQMMP-AWEZNQCLSA-N 0 3 302.443 3.524 50 0 DHAAHN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095419637 185360264 /nfs/dbraw/zinc/36/02/64/185360264.db2.gz ASNMCXODCAGPAH-DJJJIMSYSA-N 0 3 324.424 3.992 50 0 DHAAHN COc1ccc([C@@H](C)N[C@H](C)c2cccc(-n3cncn3)c2)cc1 ZINC000095423555 185361175 /nfs/dbraw/zinc/36/11/75/185361175.db2.gz SVUWTKHIJQWCLK-HUUCEWRRSA-N 0 3 322.412 3.688 50 0 DHAAHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000097014467 185397303 /nfs/dbraw/zinc/39/73/03/185397303.db2.gz BRSSXUUEBBKWCU-NEPJUHHUSA-N 0 3 324.387 3.564 50 0 DHAAHN CC(C)c1nccn1C[C@@H](c1ccc(F)cc1)N1CCCC1 ZINC000071751866 191024114 /nfs/dbraw/zinc/02/41/14/191024114.db2.gz HBVOXGMIKDCERR-KRWDZBQOSA-N 0 3 301.409 3.983 50 0 DHAAHN Cc1cnccc1Cn1ccnc1-c1ccc([C@H](C)N(C)C)cc1 ZINC000072151533 191055641 /nfs/dbraw/zinc/05/56/41/191055641.db2.gz DHTSEVTWRXHWCG-INIZCTEOSA-N 0 3 320.440 3.924 50 0 DHAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccccc1 ZINC000004007042 181061614 /nfs/dbraw/zinc/06/16/14/181061614.db2.gz QMVOVIVYPUFDEL-MJGOQNOKSA-N 0 3 321.424 3.835 50 0 biogenic DHAAHN CCCC[C@@H](C(=O)Nc1cccc2c1O[C@H](C)C2)N(CC)CC ZINC000004062143 181067846 /nfs/dbraw/zinc/06/78/46/181067846.db2.gz MIVCUTMQBVUNCD-PBHICJAKSA-N 0 3 318.461 3.849 50 0 biogenic DHAAHN CCCC[C@@H](C(=O)Nc1cccc2c1O[C@@H](C)C2)N(CC)CC ZINC000004062145 181068231 /nfs/dbraw/zinc/06/82/31/181068231.db2.gz MIVCUTMQBVUNCD-YOEHRIQHSA-N 0 3 318.461 3.849 50 0 biogenic DHAAHN CC(C)Oc1c(Cl)cc(CNC(C)(C)CO)cc1Cl ZINC000004258164 181088796 /nfs/dbraw/zinc/08/87/96/181088796.db2.gz BWAMGUPMYBJBPW-UHFFFAOYSA-N 0 3 306.233 3.641 50 0 DHAAHN CN(C)CCNc1c2c(nc3ccccc31)-c1ccc(F)cc1C2 ZINC000004542558 181122716 /nfs/dbraw/zinc/12/27/16/181122716.db2.gz TXSHDIICQGHFPZ-UHFFFAOYSA-N 0 3 321.399 3.919 50 0 DHAAHN CN(C)CCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000004603302 181129151 /nfs/dbraw/zinc/12/91/51/181129151.db2.gz BZWUYLMBJJQZMS-UHFFFAOYSA-N 0 3 304.478 3.573 50 0 DHAAHN CC[C@H](C)NC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000004680434 181136086 /nfs/dbraw/zinc/13/60/86/181136086.db2.gz VPKUVLLRZBDQEJ-INIZCTEOSA-N 0 3 316.489 3.937 50 0 DHAAHN O[C@]12CCCC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)NCC2 ZINC000004731374 181144051 /nfs/dbraw/zinc/14/40/51/181144051.db2.gz INWMRQARFUAODH-CFVMTHIKSA-N 0 3 300.229 3.949 50 0 DHAAHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000073553334 191326705 /nfs/dbraw/zinc/32/67/05/191326705.db2.gz LNPLWMHRKHEDTH-HXUWFJFHSA-N 0 3 322.452 3.596 50 0 DHAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1F ZINC000005417982 181241291 /nfs/dbraw/zinc/24/12/91/181241291.db2.gz DRHCPEMGRJKTQJ-APWZRJJASA-N 0 3 324.399 3.582 50 0 DHAAHN Clc1ccc(COc2ccc(-n3cnnn3)cc2)cc1Cl ZINC000005459867 181246499 /nfs/dbraw/zinc/24/64/99/181246499.db2.gz GYKXVAVPLBEVOP-UHFFFAOYSA-N 0 3 321.167 3.548 50 0 DHAAHN c1ccc(COc2cccc(CNCc3ccncc3)c2)cc1 ZINC000006701885 181373834 /nfs/dbraw/zinc/37/38/34/181373834.db2.gz QUBMTWSTHZWJAE-UHFFFAOYSA-N 0 3 304.393 3.950 50 0 DHAAHN CCOC(=O)C1CCN(CCCSc2ccc(C)cc2)CC1 ZINC000006703153 181374488 /nfs/dbraw/zinc/37/44/88/181374488.db2.gz MWGNRNUQIJDUBT-UHFFFAOYSA-N 0 3 321.486 3.752 50 0 DHAAHN Cc1ccc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)o1 ZINC000091441646 193056324 /nfs/dbraw/zinc/05/63/24/193056324.db2.gz BJDSHFWQQDAKMZ-RBUKOAKNSA-N 0 3 310.441 3.684 50 0 DHAAHN COc1cccc(CN2CCC(c3nccn3C(C)C)CC2)c1 ZINC000092019896 193143742 /nfs/dbraw/zinc/14/37/42/193143742.db2.gz PKZAYJHVQZDMAK-UHFFFAOYSA-N 0 3 313.445 3.852 50 0 DHAAHN CCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@H]1c1ccccc1 ZINC000257356013 203069300 /nfs/dbraw/zinc/06/93/00/203069300.db2.gz FFEVEWPSMCPLDX-PMACEKPBSA-N 0 3 309.409 3.912 50 0 DHAAHN C[C@]1(CO)CCCN(Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000093341061 193235679 /nfs/dbraw/zinc/23/56/79/193235679.db2.gz DAJWWGPBDHZTKQ-AWEZNQCLSA-N 0 3 319.392 3.893 50 0 DHAAHN C[C@H]1CC[C@H](CO)CN1Cc1ccccc1OC1CCCC1 ZINC000093737858 193298580 /nfs/dbraw/zinc/29/85/80/193298580.db2.gz WRQZBIYTGHVIJU-HOTGVXAUSA-N 0 3 303.446 3.601 50 0 DHAAHN CNC(=O)c1cccc(CN[C@@H](CC(C)C)c2cccs2)c1 ZINC000096476716 193662536 /nfs/dbraw/zinc/66/25/36/193662536.db2.gz NXMRMTIACGTHAT-INIZCTEOSA-N 0 3 316.470 3.985 50 0 DHAAHN COC(=O)c1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837354 182020568 /nfs/dbraw/zinc/02/05/68/182020568.db2.gz VSMXKMOCLOTMTM-GOSISDBHSA-N 0 3 313.372 3.949 50 0 DHAAHN Fc1ccccc1COc1cccc(CNC[C@@H]2CCCO2)c1 ZINC000016450049 182044999 /nfs/dbraw/zinc/04/49/99/182044999.db2.gz LEFVXSXDMHMHMT-SFHVURJKSA-N 0 3 315.388 3.673 50 0 DHAAHN CCN1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000016602772 182051848 /nfs/dbraw/zinc/05/18/48/182051848.db2.gz WNRHFKABPHEZTP-UHFFFAOYSA-N 0 3 322.861 3.769 50 0 DHAAHN CCc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000017053521 182071183 /nfs/dbraw/zinc/07/11/83/182071183.db2.gz LNNAISAFCQQNDI-UHFFFAOYSA-N 0 3 315.461 3.731 50 0 DHAAHN Cc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019360129 182119194 /nfs/dbraw/zinc/11/91/94/182119194.db2.gz LEGQADSDIOYPOS-UHFFFAOYSA-N 0 3 319.452 3.794 50 0 DHAAHN COc1ccc(Br)cc1CNCCc1ccccc1 ZINC000019720816 182138201 /nfs/dbraw/zinc/13/82/01/182138201.db2.gz VZHJGGPHMBMFJZ-UHFFFAOYSA-N 0 3 320.230 3.790 50 0 DHAAHN CC(C)(C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019770259 182144387 /nfs/dbraw/zinc/14/43/87/182144387.db2.gz IGNLFCPWSGNRIH-UHFFFAOYSA-N 0 3 322.452 3.773 50 0 DHAAHN CC(C)c1ccc([C@@H](CN)N2CCc3sccc3C2)cc1 ZINC000019770047 182144475 /nfs/dbraw/zinc/14/44/75/182144475.db2.gz JWGZANXWSYSDOX-QGZVFWFLSA-N 0 3 300.471 3.930 50 0 DHAAHN CSc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000019842552 182155775 /nfs/dbraw/zinc/15/57/75/182155775.db2.gz MUAMSZXLXZJADT-KRWDZBQOSA-N 0 3 316.514 3.882 50 0 DHAAHN O[C@H](CNCc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000019872432 182159246 /nfs/dbraw/zinc/15/92/46/182159246.db2.gz HMOCHMXWHVTYHE-GOSISDBHSA-N 0 3 311.356 3.909 50 0 DHAAHN Cc1cccc(CN(C)[C@@H]2CCCN(CCc3ccccc3)C2)n1 ZINC000020211565 182197724 /nfs/dbraw/zinc/19/77/24/182197724.db2.gz XSDLPCVAJKZGJK-OAQYLSRUSA-N 0 3 323.484 3.529 50 0 DHAAHN CCCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020271126 182202177 /nfs/dbraw/zinc/20/21/77/182202177.db2.gz JGAMKVRDOOSPDE-UHFFFAOYSA-N 0 3 322.452 3.775 50 0 DHAAHN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)cc1)NCC2 ZINC000020506856 182225987 /nfs/dbraw/zinc/22/59/87/182225987.db2.gz OZUNBSWLBHFONJ-LJQANCHMSA-N 0 3 315.388 3.858 50 0 DHAAHN CC(C)CC[C@]1(CCN2CCN(C)CC2)CCO[C@@H](C(C)C)C1 ZINC000020648154 182241220 /nfs/dbraw/zinc/24/12/20/182241220.db2.gz IPORIWFJIBWFBV-UXHICEINSA-N 0 3 324.553 3.882 50 0 DHAAHN CCc1onc(C)c1[C@H]1CCCN1Cc1ccc(OC)cc1 ZINC000021720978 182286717 /nfs/dbraw/zinc/28/67/17/182286717.db2.gz SJRCMALRLNXXJF-MRXNPFEDSA-N 0 3 300.402 3.891 50 0 DHAAHN CN(C)Cc1csc(-c2nc3c[nH]n(-c4ccccc4)c-3n2)c1 ZINC000023251077 182354317 /nfs/dbraw/zinc/35/43/17/182354317.db2.gz WINBGIOOEAALMY-UHFFFAOYSA-N 0 3 323.425 3.539 50 0 DHAAHN Cc1ccccc1N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000023282301 182355905 /nfs/dbraw/zinc/35/59/05/182355905.db2.gz JRFFUAKPYKWFKB-HXUWFJFHSA-N 0 3 306.453 3.675 50 0 DHAAHN CN(C)Cc1ccccc1NC(=O)CCc1ccccc1Cl ZINC000024809002 182391816 /nfs/dbraw/zinc/39/18/16/182391816.db2.gz UCSCLVNZQOHRNI-UHFFFAOYSA-N 0 3 316.832 3.973 50 0 DHAAHN CC(C)Cc1ccc([C@H](C)NCc2ccc(C(N)=O)cc2)cc1 ZINC000040017888 183028327 /nfs/dbraw/zinc/02/83/27/183028327.db2.gz XNARDKRWPUOOMJ-HNNXBMFYSA-N 0 3 310.441 3.835 50 0 DHAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(F)cc1F ZINC000040086933 183031948 /nfs/dbraw/zinc/03/19/48/183031948.db2.gz RDISUEHZGSWLNT-UHFFFAOYSA-N 0 3 316.351 3.813 50 0 DHAAHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)Nc1ccccc1 ZINC000058181871 184085630 /nfs/dbraw/zinc/08/56/30/184085630.db2.gz RTSREYAJIPRGGX-SFHVURJKSA-N 0 3 323.440 3.720 50 0 DHAAHN COc1ccc(OC)c([C@@H]2CCN(Cc3cccs3)C2)c1 ZINC000065393928 184334833 /nfs/dbraw/zinc/33/48/33/184334833.db2.gz UVCYZTXYDUTRBD-CYBMUJFWSA-N 0 3 303.427 3.755 50 0 DHAAHN c1cnn(Cc2cccc(CN3CCC[C@H]3c3ccccn3)c2)c1 ZINC000065454859 184347603 /nfs/dbraw/zinc/34/76/03/184347603.db2.gz FHNJNFBZLOMIJR-FQEVSTJZSA-N 0 3 318.424 3.664 50 0 DHAAHN Cc1ccc2c(c1)c(CN[C@@H](C)CCc1ccc(O)cc1)nn2C ZINC000065395070 184335321 /nfs/dbraw/zinc/33/53/21/184335321.db2.gz OVKXWWYBVVDEQR-HNNXBMFYSA-N 0 3 323.440 3.698 50 0 DHAAHN Cc1ccc(CN2CCC=C(CCNC(=O)c3ccco3)C2)cc1 ZINC000065406501 184338438 /nfs/dbraw/zinc/33/84/38/184338438.db2.gz AONCERDECHKADL-UHFFFAOYSA-N 0 3 324.424 3.540 50 0 DHAAHN O=C(/C=C/c1ccccc1)NCC1=CCCN([C@@H]2C=CCCC2)C1 ZINC000065526219 184359864 /nfs/dbraw/zinc/35/98/64/184359864.db2.gz WNJVPKHRZUPINU-FBRRREGBSA-N 0 3 322.452 3.557 50 0 DHAAHN CC(C)CCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000065936442 184383057 /nfs/dbraw/zinc/38/30/57/184383057.db2.gz SYAGWQVGAUPGNB-UHFFFAOYSA-N 0 3 310.869 3.666 50 0 DHAAHN NCc1cccc(C(=O)N(CCc2ccccc2)C2CCCC2)c1 ZINC000534589990 334293862 /nfs/dbraw/zinc/29/38/62/334293862.db2.gz FFTQPRNDVFSXEX-UHFFFAOYSA-N 0 3 322.452 3.773 50 0 DHAAHN Cc1cccc(N2CCC(NCc3nccn3C(C)C)CC2)c1 ZINC000534654367 334313104 /nfs/dbraw/zinc/31/31/04/334313104.db2.gz HEMOPLBUJNDWIK-UHFFFAOYSA-N 0 3 312.461 3.531 50 0 DHAAHN CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](Oc1cccc(Cl)c1CN)C2 ZINC000013401036 563381086 /nfs/dbraw/zinc/38/10/86/563381086.db2.gz XDWGFIVVEJQCFN-BBWFWOEESA-N 0 3 309.837 3.914 50 0 DHAAHN CN(C)CCNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000091239 563215814 /nfs/dbraw/zinc/21/58/14/563215814.db2.gz NHWMBOUDDPKQIB-UHFFFAOYSA-N 0 3 313.426 3.561 50 0 DHAAHN COc1cccc(C(=O)CCN2CC[C@H](c3ccccc3)C2)c1 ZINC000000177642 563227925 /nfs/dbraw/zinc/22/79/25/563227925.db2.gz VWHWKEXIFJIXIB-SFHVURJKSA-N 0 3 309.409 3.758 50 0 DHAAHN C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1F ZINC000000383069 563248371 /nfs/dbraw/zinc/24/83/71/563248371.db2.gz BKUYBACBXMHXIA-CQSZACIVSA-N 0 3 301.361 3.503 50 0 DHAAHN CN(CCC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000001178528 563278670 /nfs/dbraw/zinc/27/86/70/563278670.db2.gz DJUIKQFCUPVGPB-UHFFFAOYSA-N 0 3 302.805 3.801 50 0 DHAAHN OCCNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000002861109 563315735 /nfs/dbraw/zinc/31/57/35/563315735.db2.gz BHRGBUQJSKOLMX-UHFFFAOYSA-N 0 3 307.393 3.501 50 0 DHAAHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1CCCSC1 ZINC000097371195 563336786 /nfs/dbraw/zinc/33/67/86/563336786.db2.gz IMQDRVVRPTXCGC-CABZTGNLSA-N 0 3 321.412 3.608 50 0 DHAAHN CCC[C@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000009063157 563351372 /nfs/dbraw/zinc/35/13/72/563351372.db2.gz MQWJRYAOHOSEOH-INIZCTEOSA-N 0 3 302.462 3.512 50 0 DHAAHN COc1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062778 563351536 /nfs/dbraw/zinc/35/15/36/563351536.db2.gz GHZDLPVAVLQUAL-UHFFFAOYSA-N 0 3 324.424 3.546 50 0 DHAAHN CCN1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000022796286 563352326 /nfs/dbraw/zinc/35/23/26/563352326.db2.gz ZTVINIAKHPUDQD-UHFFFAOYSA-N 0 3 324.453 3.500 50 0 DHAAHN CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(C)c1)C2 ZINC000011933286 563361099 /nfs/dbraw/zinc/36/10/99/563361099.db2.gz PRBBYPVSECLNTI-FQEVSTJZSA-N 0 3 314.473 3.610 50 0 DHAAHN CC(C)c1ccc(N[C@H]2CCCN(Cc3cnn(C)c3)C2)cc1 ZINC000012435338 563369865 /nfs/dbraw/zinc/36/98/65/563369865.db2.gz ZXCFLHNOPYRADT-IBGZPJMESA-N 0 3 312.461 3.620 50 0 DHAAHN CC(C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000012815889 563374762 /nfs/dbraw/zinc/37/47/62/563374762.db2.gz GRPBEANWPSRZKD-UHFFFAOYSA-N 0 3 310.441 3.687 50 0 DHAAHN Cn1cc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000014970249 563404847 /nfs/dbraw/zinc/40/48/47/563404847.db2.gz VMOPWNSVMMUJIX-HNNXBMFYSA-N 0 3 319.399 3.543 50 0 DHAAHN Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000027604830 563428583 /nfs/dbraw/zinc/42/85/83/563428583.db2.gz BTJBMZFQQBHNOP-INIZCTEOSA-N 0 3 314.454 3.623 50 0 DHAAHN Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1 ZINC000027793204 563430092 /nfs/dbraw/zinc/43/00/92/563430092.db2.gz FPQOMHUFMBYCHS-FQEVSTJZSA-N 0 3 322.452 3.870 50 0 DHAAHN Cc1nn(C)cc1CN1CCCCC[C@@H]1c1cccc(F)c1 ZINC000033087110 563444100 /nfs/dbraw/zinc/44/41/00/563444100.db2.gz PILGVLAABXGSPG-GOSISDBHSA-N 0 3 301.409 3.985 50 0 DHAAHN OC[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000023280241 563448782 /nfs/dbraw/zinc/44/87/82/563448782.db2.gz WVDADVYSGCYRMN-ZDUSSCGKSA-N 0 3 305.805 3.804 50 0 DHAAHN CCn1c(C)cc(CN(C)Cc2cc3ccccc3[nH]c2=O)c1C ZINC000072310615 563448937 /nfs/dbraw/zinc/44/89/37/563448937.db2.gz XIJKTUJVQCQUFD-UHFFFAOYSA-N 0 3 323.440 3.598 50 0 DHAAHN Fc1ccccc1N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000023283216 563450415 /nfs/dbraw/zinc/45/04/15/563450415.db2.gz OZHRNZWCSBPWLW-GOSISDBHSA-N 0 3 310.416 3.505 50 0 DHAAHN CC(C)[C@@H](C)N(Cc1ccco1)Cc1cccc(OCCO)c1 ZINC000055270441 563473440 /nfs/dbraw/zinc/47/34/40/563473440.db2.gz WOOWASBKCIMNAW-MRXNPFEDSA-N 0 3 317.429 3.697 50 0 DHAAHN Clc1cccc(N2CCN(C3Cc4ccccc4C3)CC2)c1 ZINC000055292588 563473700 /nfs/dbraw/zinc/47/37/00/563473700.db2.gz XGFXKEDCIWKUGW-UHFFFAOYSA-N 0 3 312.844 3.629 50 0 DHAAHN COc1ncc(CN(Cc2sccc2C)CC(C)C)cn1 ZINC000055342938 563474488 /nfs/dbraw/zinc/47/44/88/563474488.db2.gz MYYZTSMGVWEURD-UHFFFAOYSA-N 0 3 305.447 3.513 50 0 DHAAHN COc1ccc2c(c1)[C@H](NCCc1ncc(C)s1)CCCO2 ZINC000096478438 563484371 /nfs/dbraw/zinc/48/43/71/563484371.db2.gz QSCGVVQWTAMJRX-OAHLLOKOSA-N 0 3 318.442 3.506 50 0 DHAAHN Cc1noc(C)c1CNC1CCN(c2cccc(C)c2C)CC1 ZINC000067674694 563488663 /nfs/dbraw/zinc/48/86/63/563488663.db2.gz ROPFYBDQMRODHJ-UHFFFAOYSA-N 0 3 313.445 3.667 50 0 DHAAHN CN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000071375427 563498954 /nfs/dbraw/zinc/49/89/54/563498954.db2.gz NUQLYNLEYPLEMP-UHFFFAOYSA-N 0 3 320.742 3.639 50 0 DHAAHN CCCCc1ncc(CN2CC[C@H](c3ccccc3F)C2)[nH]1 ZINC000072435820 563503380 /nfs/dbraw/zinc/50/33/80/563503380.db2.gz HJWFSOGZSDZKLG-AWEZNQCLSA-N 0 3 301.409 3.881 50 0 DHAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccncc2)cc1 ZINC000077518413 563512116 /nfs/dbraw/zinc/51/21/16/563512116.db2.gz PXPMBLVRLGPVBC-LJQANCHMSA-N 0 3 323.440 3.511 50 0 DHAAHN Cc1ccc(-c2ccccc2CN2CC(N3CCCCC3)C2)o1 ZINC000097506021 563539346 /nfs/dbraw/zinc/53/93/46/563539346.db2.gz OWAXEROSPBRNQI-UHFFFAOYSA-N 0 3 310.441 3.925 50 0 DHAAHN c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCN1CCCCC1 ZINC000128262038 563605402 /nfs/dbraw/zinc/60/54/02/563605402.db2.gz FWZFXCLHMZAPDY-KRWDZBQOSA-N 0 3 300.446 3.508 50 0 DHAAHN COc1ccccc1-c1nnc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000163014632 563615247 /nfs/dbraw/zinc/61/52/47/563615247.db2.gz VKHCNQVUEUZTGC-UMVBOHGHSA-N 0 3 315.417 3.660 50 0 DHAAHN CCn1cnnc1[C@H]1CCCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000107495465 563683954 /nfs/dbraw/zinc/68/39/54/563683954.db2.gz WJDABNWSGRIIQQ-HIFRSBDPSA-N 0 3 318.852 3.892 50 0 DHAAHN CC(=O)Nc1cccc(CNCc2ccc(OC(C)C)cc2)c1 ZINC000048712803 563699685 /nfs/dbraw/zinc/69/96/85/563699685.db2.gz ZICIDDFIUJRDJF-UHFFFAOYSA-N 0 3 312.413 3.722 50 0 DHAAHN Cc1nccn1-c1ccc(CNCc2c(C)cc(C)cc2C)cn1 ZINC000048782308 563699840 /nfs/dbraw/zinc/69/98/40/563699840.db2.gz PWBYHBDPVKXOCB-UHFFFAOYSA-N 0 3 320.440 3.791 50 0 DHAAHN Cc1cc(C)n(-c2ccc(CNCc3ccc(C)s3)cn2)n1 ZINC000048743089 563700217 /nfs/dbraw/zinc/70/02/17/563700217.db2.gz QVDYHTMHLZPGFB-UHFFFAOYSA-N 0 3 312.442 3.544 50 0 DHAAHN Cc1ccc(CN(C)Cc2ccc(OC(C)C)c(CO)c2)s1 ZINC000215337636 563705821 /nfs/dbraw/zinc/70/58/21/563705821.db2.gz XHZJCCMVOFVBOP-UHFFFAOYSA-N 0 3 319.470 3.968 50 0 DHAAHN CC(C)c1nc(CN(C)[C@@H](CN(C)C)c2ccccc2)co1 ZINC000223064268 563730702 /nfs/dbraw/zinc/73/07/02/563730702.db2.gz ZTZDASDCJYVYPF-KRWDZBQOSA-N 0 3 301.434 3.533 50 0 DHAAHN CCCNCc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248109689 563782618 /nfs/dbraw/zinc/78/26/18/563782618.db2.gz QHLLOOGXRDQAHM-UHFFFAOYSA-N 0 3 320.440 3.801 50 0 DHAAHN CCN1CCC[C@H]1CNC(=O)Nc1cccc(-c2ccco2)c1 ZINC000299765421 563805734 /nfs/dbraw/zinc/80/57/34/563805734.db2.gz GNUATYQMBWYETA-INIZCTEOSA-N 0 3 313.401 3.552 50 0 DHAAHN COc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000012676647 563809483 /nfs/dbraw/zinc/80/94/83/563809483.db2.gz VTEDKHOLAQXKLU-IFXJQAMLSA-N 0 3 324.424 3.763 50 0 DHAAHN Cc1cn2c(n1)[C@H](CNCc1cnc(C(C)(C)C)s1)CCC2 ZINC000084257826 563825607 /nfs/dbraw/zinc/82/56/07/563825607.db2.gz OZANBDTVRIXGDZ-ZDUSSCGKSA-N 0 3 318.490 3.613 50 0 DHAAHN Cc1nc(N)nc(N)c1/C=C/[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000075279547 563862953 /nfs/dbraw/zinc/86/29/53/563862953.db2.gz KXBLWJBWPHUIPI-QZGLAHODSA-N 0 3 322.334 3.785 50 0 DHAAHN CN(C)[C@@H](CNC(=O)c1ccoc1)c1csc2ccccc21 ZINC000575621494 563868243 /nfs/dbraw/zinc/86/82/43/563868243.db2.gz OUGVVVYCIXGFKL-HNNXBMFYSA-N 0 3 314.410 3.527 50 0 DHAAHN CSC(SC)=C(c1nc2ccccc2[n-]1)[n+]1ccccc1 ZINC000006381824 563872871 /nfs/dbraw/zinc/87/28/71/563872871.db2.gz JDXWBZVPKHOYSP-UHFFFAOYSA-N 0 3 314.459 3.751 50 0 DHAAHN CCc1ccc2oc(=O)cc(CN(C)Cc3ccccc3)c2c1 ZINC000054105863 563883427 /nfs/dbraw/zinc/88/34/27/563883427.db2.gz GQTJSAKJPXYNHI-UHFFFAOYSA-N 0 3 307.393 3.987 50 0 DHAAHN CCC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1OC ZINC000036102771 563893473 /nfs/dbraw/zinc/89/34/73/563893473.db2.gz FCUVMQURXKWLPW-IBGZPJMESA-N 0 3 313.441 3.858 50 0 DHAAHN O=C(NCC1CCCCC1)C1=CCN(Cc2ccccc2)CC1 ZINC000064817949 563894152 /nfs/dbraw/zinc/89/41/52/563894152.db2.gz DWUXBPVREAONGF-UHFFFAOYSA-N 0 3 312.457 3.515 50 0 DHAAHN C[C@H](CCN[C@@H](C)c1cc2cc(Cl)ccc2o1)[S@](C)=O ZINC000170065683 563903707 /nfs/dbraw/zinc/90/37/07/563903707.db2.gz RZYBPQYEYUABPM-NLQQUQSOSA-N 0 3 313.850 3.894 50 0 DHAAHN CCc1oc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1C ZINC000170597965 563907106 /nfs/dbraw/zinc/90/71/06/563907106.db2.gz YCFNTHBOPWBBCS-RDTXWAMCSA-N 0 3 314.429 3.572 50 0 DHAAHN c1coc(-c2nnc(CN[C@@H]3CCC[C@@H]3Cc3ccccc3)o2)c1 ZINC000170612370 563908053 /nfs/dbraw/zinc/90/80/53/563908053.db2.gz IEEZYUITRLTGHI-HZPDHXFCSA-N 0 3 323.396 3.831 50 0 DHAAHN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626942 563908926 /nfs/dbraw/zinc/90/89/26/563908926.db2.gz WTUXWCSSBUOUSE-RMJJICAUSA-N 0 3 318.505 3.987 50 0 DHAAHN COc1ccc(C)cc1[C@@H](C)NCc1cccc(-c2nc[nH]n2)c1 ZINC000089731433 563911002 /nfs/dbraw/zinc/91/10/02/563911002.db2.gz WQSSQKRRNGTAIA-CQSZACIVSA-N 0 3 322.412 3.640 50 0 DHAAHN CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000027205724 563915487 /nfs/dbraw/zinc/91/54/87/563915487.db2.gz LJHWMEFOWPATJQ-VQTJNVASSA-N 0 3 323.436 3.855 50 0 DHAAHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000253432969 563925723 /nfs/dbraw/zinc/92/57/23/563925723.db2.gz QHWHYJMHKIVDSL-FUHWJXTLSA-N 0 3 313.445 3.512 50 0 DHAAHN c1ccc2c(c1)cccc2CSc1nnc([C@@H]2CCCN2)o1 ZINC000007952135 563929334 /nfs/dbraw/zinc/92/93/34/563929334.db2.gz YUBPAXVEDMECCL-HNNXBMFYSA-N 0 3 311.410 3.940 50 0 DHAAHN c1ccc(OCCN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000020601445 563931724 /nfs/dbraw/zinc/93/17/24/563931724.db2.gz ZOJDUPVXWFGDAP-INIZCTEOSA-N 0 3 321.424 3.821 50 0 DHAAHN Cc1nc(C)c(CN2CCC[C@H]2CC(=O)c2ccccc2)s1 ZINC000095965482 563932779 /nfs/dbraw/zinc/93/27/79/563932779.db2.gz TZDMXKVFAIGSFG-INIZCTEOSA-N 0 3 314.454 3.997 50 0 DHAAHN CC(C)C[C@@H](NC[C@H](O)c1ccccc1F)c1ccccn1 ZINC000095967385 563932950 /nfs/dbraw/zinc/93/29/50/563932950.db2.gz POFNULPCOJSEBD-MSOLQXFVSA-N 0 3 302.393 3.631 50 0 DHAAHN COc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)c2ccccc12 ZINC000095968453 563933305 /nfs/dbraw/zinc/93/33/05/563933305.db2.gz RXBGKKFICYEPCW-KGLIPLIRSA-N 0 3 309.413 3.994 50 0 DHAAHN FC(F)(F)c1ccccc1[C@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000095982164 563933859 /nfs/dbraw/zinc/93/38/59/563933859.db2.gz RSWWXFCLNFZALM-UKRRQHHQSA-N 0 3 309.335 3.854 50 0 DHAAHN FC(F)(F)c1ccccc1[C@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000095982162 563933934 /nfs/dbraw/zinc/93/39/34/563933934.db2.gz RSWWXFCLNFZALM-HIFRSBDPSA-N 0 3 309.335 3.854 50 0 DHAAHN Cc1ncccc1CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000095999436 563934747 /nfs/dbraw/zinc/93/47/47/563934747.db2.gz KVQATGNPTTUDIG-UHFFFAOYSA-N 0 3 314.404 3.710 50 0 DHAAHN C(=C\c1ccccc1)\CN1CCN(CCc2cccs2)CC1 ZINC000096291578 563936196 /nfs/dbraw/zinc/93/61/96/563936196.db2.gz MWNYNQFMFUEBOU-YWEYNIOJSA-N 0 3 312.482 3.622 50 0 DHAAHN CC(C)Oc1ccc(CNCc2cccc3c[nH]nc32)cc1F ZINC000096460022 563937267 /nfs/dbraw/zinc/93/72/67/563937267.db2.gz FUZMWTPTCSSOMB-UHFFFAOYSA-N 0 3 313.376 3.779 50 0 DHAAHN CC[C@H](NCc1ccnc(N)c1)c1ccc(OC(F)F)cc1 ZINC000225615899 563938228 /nfs/dbraw/zinc/93/82/28/563938228.db2.gz ACDCCVFGNLCCDE-AWEZNQCLSA-N 0 3 307.344 3.506 50 0 DHAAHN COCCNCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000003000792 563941642 /nfs/dbraw/zinc/94/16/42/563941642.db2.gz FOCRVTZMMYEUOF-UHFFFAOYSA-N 0 3 313.441 3.627 50 0 DHAAHN Cc1cc(C)n(C[C@H](C)N(C)Cc2cc3cc(F)ccc3[nH]2)n1 ZINC000670441441 563943951 /nfs/dbraw/zinc/94/39/51/563943951.db2.gz ILRSIOCRZCJRAH-AWEZNQCLSA-N 0 3 314.408 3.641 50 0 DHAAHN CC[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCCC1 ZINC000031229418 563944411 /nfs/dbraw/zinc/94/44/11/563944411.db2.gz QQDZMUSVDPLWST-HXUWFJFHSA-N 0 3 322.452 3.958 50 0 DHAAHN Cc1c(Cl)cccc1-n1nc(C2CC2)nc1[C@@H]1CCN(C)C1 ZINC000670458293 563945382 /nfs/dbraw/zinc/94/53/82/563945382.db2.gz SBKPYUOFFWPFTO-CYBMUJFWSA-N 0 3 316.836 3.526 50 0 DHAAHN COc1ccc(C)cc1CCNCc1cnn(-c2ccccc2)c1 ZINC000008329178 563948025 /nfs/dbraw/zinc/94/80/25/563948025.db2.gz ROTNIPRYVCWIJL-UHFFFAOYSA-N 0 3 321.424 3.522 50 0 DHAAHN CCCc1ccc(CN2CCC[C@H](Cn3ccnc3C)C2)o1 ZINC000670472259 563949096 /nfs/dbraw/zinc/94/90/96/563949096.db2.gz QYSDJSZDLDGFIZ-INIZCTEOSA-N 0 3 301.434 3.649 50 0 DHAAHN CCc1cc(CNCc2ccc(Oc3cccnc3)c(C)c2)n[nH]1 ZINC000069816779 563954771 /nfs/dbraw/zinc/95/47/71/563954771.db2.gz LGLJVZVLSBHFKU-UHFFFAOYSA-N 0 3 322.412 3.758 50 0 DHAAHN COc1cccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000071831345 563958986 /nfs/dbraw/zinc/95/89/86/563958986.db2.gz AZXPKJXHOOBHTQ-OAHLLOKOSA-N 0 3 324.424 3.673 50 0 DHAAHN C[C@H](N[C@H]1CCCC[C@H]1OCc1ccccc1)c1cnccn1 ZINC000252486281 568413654 /nfs/dbraw/zinc/41/36/54/568413654.db2.gz HPDNWOPSOCAKNI-VDZJLULYSA-N 0 3 311.429 3.655 50 0 DHAAHN C[C@@H](CNC(=O)Nc1ccccc1Cl)N1CCCC[C@@H]1C ZINC000045951194 568415441 /nfs/dbraw/zinc/41/54/41/568415441.db2.gz ABHNPODXJCZBLA-STQMWFEESA-N 0 3 309.841 3.724 50 0 DHAAHN CCn1c(C)cc2cc(NC(=O)CN(C)C3CCCC3)ccc21 ZINC000952874097 1032668869 /nfs/dbraw/zinc/66/88/69/1032668869.db2.gz UYYGXKQQEVHDMB-UHFFFAOYSA-N 0 3 313.445 3.783 50 0 DHAAHN OCc1cccc(CNCc2ccc(OC3CCCC3)cc2)c1 ZINC000952962638 1032670957 /nfs/dbraw/zinc/67/09/57/1032670957.db2.gz HKMCNGHFEHCPOA-UHFFFAOYSA-N 0 3 311.425 3.790 50 0 DHAAHN C[C@H](NCc1ccc(Sc2nncn2C)o1)C1=CCCCC1 ZINC000952980347 1032677637 /nfs/dbraw/zinc/67/76/37/1032677637.db2.gz ZGAMWUCXNRHTPT-LBPRGKRZSA-N 0 3 318.446 3.538 50 0 DHAAHN CC[C@@H](c1ccccc1)N1CCC[C@H](CN=S(C)(C)=O)C1 ZINC000952994144 1032682476 /nfs/dbraw/zinc/68/24/76/1032682476.db2.gz VLSUNPHSEASGTC-WBVHZDCISA-N 0 3 308.491 3.577 50 0 DHAAHN Clc1ccc(CNCc2cccc(N3CCOCC3)c2)s1 ZINC000293083520 1021228766 /nfs/dbraw/zinc/22/87/66/1021228766.db2.gz WJZDNFSNKSMCTB-UHFFFAOYSA-N 0 3 322.861 3.528 50 0 DHAAHN Fc1cccc(F)c1CCCN1CCC(c2ncco2)CC1 ZINC000585136927 1023002783 /nfs/dbraw/zinc/00/27/83/1023002783.db2.gz YTMZJVUPOASTQT-UHFFFAOYSA-N 0 3 306.356 3.765 50 0 DHAAHN COCCc1cccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)c1 ZINC000629701240 1030990716 /nfs/dbraw/zinc/99/07/16/1030990716.db2.gz SCHWJMWSSHFCCL-MGPUTAFESA-N 0 3 311.425 3.592 50 0 DHAAHN Cc1cc(F)ccc1-c1ccc(CN(C)C[C@H](O)C2CC2)o1 ZINC000809751453 1033667093 /nfs/dbraw/zinc/66/70/93/1033667093.db2.gz HWSULORIMGRSQV-KRWDZBQOSA-N 0 3 303.377 3.597 50 0 DHAAHN CCOc1ccccc1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000078940964 185132562 /nfs/dbraw/zinc/13/25/62/185132562.db2.gz QGHMATYUKKVXJG-KRWDZBQOSA-N 0 3 314.429 3.605 50 0 DHAAHN COc1ccc([C@H](C)NCc2cccc(Cn3cccn3)c2)cc1 ZINC000095420669 185360315 /nfs/dbraw/zinc/36/03/15/185360315.db2.gz UYZDLQLXRPTSJH-INIZCTEOSA-N 0 3 321.424 3.791 50 0 DHAAHN CC[C@H]1CN(Cc2c(Cl)cncc2Cl)CCN1C(C)C ZINC000072133159 191044745 /nfs/dbraw/zinc/04/47/45/191044745.db2.gz QDJBRQSMDNVPSE-LBPRGKRZSA-N 0 3 316.276 3.693 50 0 DHAAHN Cc1cccc2nc([C@H]3CCCN(Cc4ncccc4F)C3)[nH]c21 ZINC000072149896 191056681 /nfs/dbraw/zinc/05/66/81/191056681.db2.gz VZMUJSWYQREYRG-AWEZNQCLSA-N 0 3 324.403 3.785 50 0 DHAAHN CC[C@@H]1CN(Cc2cc3cc(C)ccc3n2C)CCN1C(C)C ZINC000072162177 191062305 /nfs/dbraw/zinc/06/23/05/191062305.db2.gz GVGBJBVEHFMKIB-GOSISDBHSA-N 0 3 313.489 3.791 50 0 DHAAHN Cc1ccsc1CN1CCC[C@@H](OCc2cccnc2)C1 ZINC000072161532 191062758 /nfs/dbraw/zinc/06/27/58/191062758.db2.gz JAASAHDYKHAYHE-MRXNPFEDSA-N 0 3 302.443 3.633 50 0 DHAAHN CN(C)[C@@H](CNc1nc2c(cccc2F)o1)c1cccc(F)c1 ZINC000225592040 186281161 /nfs/dbraw/zinc/28/11/61/186281161.db2.gz WBWMOTXQWFMYMV-AWEZNQCLSA-N 0 3 317.339 3.821 50 0 DHAAHN CC(C)(C)c1cc(CN2CC[C@@H](c3ccccc3F)C2)n[nH]1 ZINC000072425141 191159203 /nfs/dbraw/zinc/15/92/03/191159203.db2.gz CSDHAFIIAANBKK-CYBMUJFWSA-N 0 3 301.409 3.836 50 0 DHAAHN CCCC[C@H](C(=O)Nc1cccc2c1O[C@H](C)C2)N(CC)CC ZINC000004062144 181067898 /nfs/dbraw/zinc/06/78/98/181067898.db2.gz MIVCUTMQBVUNCD-RHSMWYFYSA-N 0 3 318.461 3.849 50 0 biogenic DHAAHN O=C(/C=C/c1ccco1)Nc1ccc(CN2CCCCC2)cc1 ZINC000004554768 181124118 /nfs/dbraw/zinc/12/41/18/181124118.db2.gz DPZFDPKEZQSFBL-ZHACJKMWSA-N 0 3 310.397 3.917 50 0 DHAAHN O[C@]12CCCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)NCC2 ZINC000004731375 181143530 /nfs/dbraw/zinc/14/35/30/181143530.db2.gz INWMRQARFUAODH-SNPRPXQTSA-N 0 3 300.229 3.949 50 0 biogenic DHAAHN CC[C@@H](CO)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000004942899 181176997 /nfs/dbraw/zinc/17/69/97/181176997.db2.gz QAEJJZXCARWVSB-ZDUSSCGKSA-N 0 3 324.218 3.570 50 0 DHAAHN O[C@]12CCCC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)NCC2 ZINC000005030755 181193597 /nfs/dbraw/zinc/19/35/97/181193597.db2.gz ACIPGBAJNWOPTK-UGFHNGPFSA-N 0 3 300.229 3.949 50 0 DHAAHN O[C@]12CCCC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)NCC2 ZINC000005030753 181194064 /nfs/dbraw/zinc/19/40/64/181194064.db2.gz ACIPGBAJNWOPTK-DFBGVHRSSA-N 0 3 300.229 3.949 50 0 DHAAHN C[C@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)NCc1cccnc1 ZINC000005249606 181221938 /nfs/dbraw/zinc/22/19/38/181221938.db2.gz YOGMQUBAEAYSMA-HDMKZQKVSA-N 0 3 300.446 3.757 50 0 DHAAHN Cc1nn(C)cc1[C@H](C)NCC1=Cc2cc(Cl)ccc2OC1 ZINC000237543916 202277524 /nfs/dbraw/zinc/27/75/24/202277524.db2.gz AXKSFGFQDFPELN-NSHDSACASA-N 0 3 317.820 3.509 50 0 DHAAHN CC[C@@H](NCc1cccc2c[nH]nc21)c1ccc2c(c1)OCCO2 ZINC000089947853 192917397 /nfs/dbraw/zinc/91/73/97/192917397.db2.gz WVFAOOIHEKPPBM-MRXNPFEDSA-N 0 3 323.396 3.575 50 0 DHAAHN C[C@H](NCCc1nccn1Cc1ccccc1)c1cccc(O)c1 ZINC000194844108 201299746 /nfs/dbraw/zinc/29/97/46/201299746.db2.gz MZUOWQLXOFRILY-INIZCTEOSA-N 0 3 321.424 3.530 50 0 DHAAHN CCn1ccnc1[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000091987127 193137462 /nfs/dbraw/zinc/13/74/62/193137462.db2.gz ANZXIPHFPXWBIL-HNNXBMFYSA-N 0 3 303.837 3.936 50 0 DHAAHN COC[C@@H]1CCCN(Cc2cnc(-c3ccsc3)s2)C1 ZINC000093337738 193235205 /nfs/dbraw/zinc/23/52/05/193235205.db2.gz NFSXFIMJOOWEEU-GFCCVEGCSA-N 0 3 308.472 3.730 50 0 DHAAHN C[C@@H](Cc1ccsc1)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000093705847 193295378 /nfs/dbraw/zinc/29/53/78/193295378.db2.gz QXRXJSRWRGQYQC-RNODOKPDSA-N 0 3 307.484 3.549 50 0 DHAAHN CCOC[C@@H]1CCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000093838680 193315269 /nfs/dbraw/zinc/31/52/69/193315269.db2.gz DKTXDJWVAFKCGU-OAHLLOKOSA-N 0 3 314.404 3.746 50 0 DHAAHN CN1CCN(C/C=C/c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000093872036 193320474 /nfs/dbraw/zinc/32/04/74/193320474.db2.gz QVTWPJZKSRILMC-AATRIKPKSA-N 0 3 302.437 3.789 50 0 DHAAHN Cc1ccc(CNCc2cccc(Oc3ncccn3)c2)cc1 ZINC000013731660 181886162 /nfs/dbraw/zinc/88/61/62/181886162.db2.gz DKNDXBAONQMEDD-UHFFFAOYSA-N 0 3 305.381 3.867 50 0 DHAAHN C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000015583740 182008422 /nfs/dbraw/zinc/00/84/22/182008422.db2.gz TWSKQCXDZOILGU-APPDUMDISA-N 0 3 316.351 3.569 50 0 DHAAHN C[C@H]1CCCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000016183485 182035734 /nfs/dbraw/zinc/03/57/34/182035734.db2.gz OOUWLKQIFUITQD-WCQYABFASA-N 0 3 318.244 3.608 50 0 DHAAHN COc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000016607416 182053168 /nfs/dbraw/zinc/05/31/68/182053168.db2.gz JQZFZJUEGSFREV-UHFFFAOYSA-N 0 3 324.424 3.546 50 0 DHAAHN CN(C)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000017112780 182075613 /nfs/dbraw/zinc/07/56/13/182075613.db2.gz KAGQPWOYOQZXGZ-MRXNPFEDSA-N 0 3 307.478 3.702 50 0 DHAAHN C[C@H](NCc1ccccc1C(F)(F)F)[C@@H](O)c1ccccc1 ZINC000020312712 182205529 /nfs/dbraw/zinc/20/55/29/182205529.db2.gz HTMPOPZDCKLWDK-BLLLJJGKSA-N 0 3 309.331 3.917 50 0 DHAAHN Cc1nccn1CCN(C)Cc1cc(C)nc2c(C)cc(C)cc12 ZINC000020637726 182240594 /nfs/dbraw/zinc/24/05/94/182240594.db2.gz TZPGYAZFZKXLCB-UHFFFAOYSA-N 0 3 322.456 3.797 50 0 DHAAHN CCc1[nH]nc2c1CN([C@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000023505042 182362199 /nfs/dbraw/zinc/36/21/99/182362199.db2.gz USNPGUCTGJHFOX-CQSZACIVSA-N 0 3 322.456 3.833 50 0 DHAAHN CCc1n[nH]c2c1CN([C@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000023505042 182362202 /nfs/dbraw/zinc/36/22/02/182362202.db2.gz USNPGUCTGJHFOX-CQSZACIVSA-N 0 3 322.456 3.833 50 0 DHAAHN CC[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 ZINC000024255416 182377749 /nfs/dbraw/zinc/37/77/49/182377749.db2.gz JTIYAINVUVYNAK-INIZCTEOSA-N 0 3 302.805 3.680 50 0 DHAAHN CCN(CC)[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000040007699 183027117 /nfs/dbraw/zinc/02/71/17/183027117.db2.gz LMFVHFTYVVTBIC-AEFFLSMTSA-N 0 3 300.446 3.542 50 0 DHAAHN O=C(NCCN1CCCCCC1)c1cccc(Cl)c1Cl ZINC000040074565 183031568 /nfs/dbraw/zinc/03/15/68/183031568.db2.gz ARTOPPOHGFFVKP-UHFFFAOYSA-N 0 3 315.244 3.599 50 0 DHAAHN CN(C)Cc1cccc(CNC(=O)Nc2ccccc2Cl)c1 ZINC000043146521 183341616 /nfs/dbraw/zinc/34/16/16/183341616.db2.gz RCJCQUZHPXVDBJ-UHFFFAOYSA-N 0 3 317.820 3.723 50 0 DHAAHN CCCCN[C@H]1C(C)=C(C)C(=O)N1[C@H](C)CCc1ccccc1 ZINC000057270777 184031274 /nfs/dbraw/zinc/03/12/74/184031274.db2.gz SSBLOYDKKYDGAY-DNVCBOLYSA-N 0 3 314.473 3.902 50 0 DHAAHN Oc1cccc([C@H](O)CNCc2cccc(Cl)c2Cl)c1 ZINC000057354889 184035490 /nfs/dbraw/zinc/03/54/90/184035490.db2.gz LUZUNIZJTHTBOW-CQSZACIVSA-N 0 3 312.196 3.522 50 0 DHAAHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000058160745 184082350 /nfs/dbraw/zinc/08/23/50/184082350.db2.gz WOMYCCHEVCKNIG-GHMZBOCLSA-N 0 3 322.330 3.782 50 0 DHAAHN c1csc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)co2)c1 ZINC000058268864 184097990 /nfs/dbraw/zinc/09/79/90/184097990.db2.gz TUZIAVURGOUPAD-UHFFFAOYSA-N 0 3 314.414 3.506 50 0 DHAAHN Cc1ccc(NC(=O)N(C)Cc2ccc(CN(C)C)cc2)cc1 ZINC000058280233 184098980 /nfs/dbraw/zinc/09/89/80/184098980.db2.gz QYFYXUSSSGNNKM-UHFFFAOYSA-N 0 3 311.429 3.721 50 0 DHAAHN CCc1ccsc1C(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000059982688 184143259 /nfs/dbraw/zinc/14/32/59/184143259.db2.gz XVVRGHJYPHQIEL-ZIAGYGMSSA-N 0 3 322.518 3.797 50 0 DHAAHN COc1ccc(OCCN[C@@H](C)c2cc(F)cc(F)c2)cc1 ZINC000065406187 184338781 /nfs/dbraw/zinc/33/87/81/184338781.db2.gz SNWZUKCZFWUISY-LBPRGKRZSA-N 0 3 307.340 3.703 50 0 DHAAHN Cc1cccc2nc(C3CCN(CC4=CCCOC4)CC3)oc21 ZINC000188885710 256592452 /nfs/dbraw/zinc/59/24/52/256592452.db2.gz QNEOCOFMBYZBGA-UHFFFAOYSA-N 0 3 312.413 3.662 50 0 DHAAHN CC[C@@H](NC1CCN(c2ccccc2F)CC1)c1ccccn1 ZINC000067447006 134833937 /nfs/dbraw/zinc/83/39/37/134833937.db2.gz BCAIAWPBBIXWRN-QGZVFWFLSA-N 0 3 313.420 3.930 50 0 DHAAHN COc1ccc2nc(-c3ccccc3)cc(NCCN(C)C)c2c1 ZINC000000084138 563214423 /nfs/dbraw/zinc/21/44/23/563214423.db2.gz OTJLWBWIOKBDGF-UHFFFAOYSA-N 0 3 321.424 3.884 50 0 DHAAHN O=C(CCN1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000000254096 563233997 /nfs/dbraw/zinc/23/39/97/563233997.db2.gz UMUCBPXJVNTFQN-UHFFFAOYSA-N 0 3 314.816 3.727 50 0 DHAAHN CCCN1CCC(N(C(=O)Nc2ccccc2)C2CC2)CC1 ZINC000001741555 563294638 /nfs/dbraw/zinc/29/46/38/563294638.db2.gz NPBZCXNAIRRYSS-UHFFFAOYSA-N 0 3 301.434 3.557 50 0 DHAAHN O=C(c1ccc(CN2CCCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000002514591 563305298 /nfs/dbraw/zinc/30/52/98/563305298.db2.gz BKXMGIRCUCLVOK-UHFFFAOYSA-N 0 3 319.326 3.931 50 0 DHAAHN CC(C)c1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000002692864 563311058 /nfs/dbraw/zinc/31/10/58/563311058.db2.gz MXEAGZWZLNDZPO-VQIMIIECSA-N 0 3 313.441 3.901 50 0 DHAAHN Cc1ccc(C)c(N2CCN(C3Cc4ccccc4C3)CC2)c1 ZINC000006390394 563332392 /nfs/dbraw/zinc/33/23/92/563332392.db2.gz UGFPJTWZCPQGJN-UHFFFAOYSA-N 0 3 306.453 3.593 50 0 DHAAHN CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccccc2)N(C)C)C1(C)C ZINC000032850697 563403120 /nfs/dbraw/zinc/40/31/20/563403120.db2.gz SWGZPHVUDRDBMM-SQNIBIBYSA-N 0 3 314.473 3.644 50 0 DHAAHN Cc1ccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1 ZINC000025364516 563422668 /nfs/dbraw/zinc/42/26/68/563422668.db2.gz XEWPRUCKISEGNZ-INIZCTEOSA-N 0 3 306.413 3.735 50 0 DHAAHN C[C@@H](C(=O)NC1CCCC1)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000027782551 563430130 /nfs/dbraw/zinc/43/01/30/563430130.db2.gz KWKRPTVSPCFPNH-KMYSJOAASA-N 0 3 318.505 3.582 50 0 DHAAHN Clc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 ZINC000000216734 563446912 /nfs/dbraw/zinc/44/69/12/563446912.db2.gz DGNMYXGLQJVLLI-UHFFFAOYSA-N 0 3 300.833 3.705 50 0 DHAAHN C[C@@H](Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000022455164 563449627 /nfs/dbraw/zinc/44/96/27/563449627.db2.gz CMJFRSBXJLAIIS-KRWDZBQOSA-N 0 3 312.432 3.575 50 0 DHAAHN COc1ccc(CN(Cc2ccco2)[C@H](C)C(C)C)cc1CO ZINC000055326215 563474743 /nfs/dbraw/zinc/47/47/43/563474743.db2.gz OKGLRNGOQJKKBX-OAHLLOKOSA-N 0 3 317.429 3.827 50 0 DHAAHN Cc1ccccc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000055543024 563476568 /nfs/dbraw/zinc/47/65/68/563476568.db2.gz JEFSZSYAEZTAQW-UHFFFAOYSA-N 0 3 300.833 3.971 50 0 DHAAHN CCCC[C@H](C1=CCCN(C)C1)N(C)C(=O)c1cccs1 ZINC000067804630 563491591 /nfs/dbraw/zinc/49/15/91/563491591.db2.gz BPAZIYMUVBQCLR-OAHLLOKOSA-N 0 3 306.475 3.641 50 0 DHAAHN O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccncc2)CC1 ZINC000033128913 563497074 /nfs/dbraw/zinc/49/70/74/563497074.db2.gz UTOWNDLVVJABNZ-UHFFFAOYSA-N 0 3 315.804 3.590 50 0 DHAAHN O=C(NCC1CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000072437398 563503257 /nfs/dbraw/zinc/50/32/57/563503257.db2.gz KEHFVUXRXYSEMS-UHFFFAOYSA-N 0 3 314.473 3.595 50 0 DHAAHN C[C@H](CN(C)Cc1cc(-c2cccnc2)no1)c1ccccc1 ZINC000077322826 563508969 /nfs/dbraw/zinc/50/89/69/563508969.db2.gz QMMNRMFUYZVPGD-OAHLLOKOSA-N 0 3 307.397 3.972 50 0 DHAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccoc2)cc1 ZINC000077320884 563509053 /nfs/dbraw/zinc/50/90/53/563509053.db2.gz PHTSPYXJOAASHJ-SFHVURJKSA-N 0 3 312.413 3.709 50 0 DHAAHN CC[S@@](=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1F ZINC000097229627 563513956 /nfs/dbraw/zinc/51/39/56/563513956.db2.gz RACIXPNHACUEFU-MDOVXXIYSA-N 0 3 317.857 3.649 50 0 DHAAHN CCCCn1ccnc1[C@H]1CCCN(Cc2scnc2C)C1 ZINC000095387255 563530059 /nfs/dbraw/zinc/53/00/59/563530059.db2.gz UMEJFKQNSWELQF-HNNXBMFYSA-N 0 3 318.490 3.828 50 0 DHAAHN O[C@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000097243895 563538886 /nfs/dbraw/zinc/53/88/86/563538886.db2.gz FBBOGDYMCODYSV-IBGZPJMESA-N 0 3 311.425 3.612 50 0 DHAAHN COc1cc(F)ccc1-c1ccc(CN2CCCCC2)cn1 ZINC000097679709 563540862 /nfs/dbraw/zinc/54/08/62/563540862.db2.gz GLIFSFLWRLLQHM-UHFFFAOYSA-N 0 3 300.377 3.882 50 0 DHAAHN Cc1noc(C)c1[C@H]1CCCN1Cc1cccc(-n2cccn2)c1 ZINC000097766401 563542834 /nfs/dbraw/zinc/54/28/34/563542834.db2.gz WACPKAKGEHBNIC-GOSISDBHSA-N 0 3 322.412 3.814 50 0 DHAAHN COc1ccc(Cl)cc1CNCCc1nc2ccccc2[nH]1 ZINC000113399079 563581888 /nfs/dbraw/zinc/58/18/88/563581888.db2.gz NQDKPMWBBFGADL-UHFFFAOYSA-N 0 3 315.804 3.557 50 0 DHAAHN CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000248024913 563599339 /nfs/dbraw/zinc/59/93/39/563599339.db2.gz LJHWMEFOWPATJQ-PMACEKPBSA-N 0 3 323.436 3.855 50 0 DHAAHN Cc1cc(C)c(OC[C@H](O)CN[C@@H](C)c2ccccc2)c(C)c1 ZINC000003194183 563622305 /nfs/dbraw/zinc/62/23/05/563622305.db2.gz CITKQVBWORSVBS-PKOBYXMFSA-N 0 3 313.441 3.702 50 0 DHAAHN CC(=O)N[C@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000153880375 563626070 /nfs/dbraw/zinc/62/60/70/563626070.db2.gz FTDVAORRMIOBED-INIZCTEOSA-N 0 3 314.454 3.516 50 0 DHAAHN COC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000000212276 563628420 /nfs/dbraw/zinc/62/84/20/563628420.db2.gz OJCFUWRQHCBVCX-UHFFFAOYSA-N 0 3 323.436 3.928 50 0 DHAAHN O=C(c1ccccc1F)N1CCCN(CC2CCCCC2)CC1 ZINC000044858449 563684973 /nfs/dbraw/zinc/68/49/73/563684973.db2.gz RBTWXYCDECZKSB-UHFFFAOYSA-N 0 3 318.436 3.554 50 0 DHAAHN Cc1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1C ZINC000048325688 563696563 /nfs/dbraw/zinc/69/65/63/563696563.db2.gz JJDTVWSSVQVCEN-JKSUJKDBSA-N 0 3 303.450 3.688 50 0 DHAAHN Cc1ccccc1-n1cc(CN(C)CCC[C@@H]2CCCO2)cn1 ZINC000216205196 563708000 /nfs/dbraw/zinc/70/80/00/563708000.db2.gz ZQRYSNZHGFUNTF-GOSISDBHSA-N 0 3 313.445 3.572 50 0 DHAAHN O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCCCC1 ZINC000002826999 563724146 /nfs/dbraw/zinc/72/41/46/563724146.db2.gz CIIGDFNHZWGKAH-LJQANCHMSA-N 0 3 311.425 3.579 50 0 DHAAHN C(c1nnc2n1CCCC2)N1CCCCC[C@H]1C1CCCCC1 ZINC000242183893 563778157 /nfs/dbraw/zinc/77/81/57/563778157.db2.gz XCTPMNQVBYSZRR-KRWDZBQOSA-N 0 3 316.493 3.939 50 0 DHAAHN Cc1cccc2nc([C@H]3CCCN(Cc4nccs4)C3)[nH]c21 ZINC000244852952 563779850 /nfs/dbraw/zinc/77/98/50/563779850.db2.gz VCOBSLSXWZNVNV-ZDUSSCGKSA-N 0 3 312.442 3.707 50 0 DHAAHN CC(C)NCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000247988400 563782265 /nfs/dbraw/zinc/78/22/65/563782265.db2.gz JKONWGBTXZSURP-UHFFFAOYSA-N 0 3 324.403 3.631 50 0 DHAAHN CCN1CCC[C@@H]1CNC(=O)Nc1cccc(-c2ccco2)c1 ZINC000299765423 563805956 /nfs/dbraw/zinc/80/59/56/563805956.db2.gz GNUATYQMBWYETA-MRXNPFEDSA-N 0 3 313.401 3.552 50 0 DHAAHN OCCCNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000078409431 563808498 /nfs/dbraw/zinc/80/84/98/563808498.db2.gz RBMHRHVPFINBAS-UHFFFAOYSA-N 0 3 300.185 3.725 50 0 DHAAHN CCN1CCC[C@H]1CNCc1cc(Cl)ccc1OC(F)F ZINC000035054722 563808620 /nfs/dbraw/zinc/80/86/20/563808620.db2.gz VFGLOEPKEDQYND-ZDUSSCGKSA-N 0 3 318.795 3.515 50 0 DHAAHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000012674136 563809113 /nfs/dbraw/zinc/80/91/13/563809113.db2.gz SUJAQCINCVJIIU-SCLBCKFNSA-N 0 3 312.388 3.894 50 0 DHAAHN Cc1ccccc1CN(C)CCC(=O)N[C@@H](C)c1ccccc1 ZINC000012754066 563825118 /nfs/dbraw/zinc/82/51/18/563825118.db2.gz NGAAALDUKMJIGP-KRWDZBQOSA-N 0 3 310.441 3.694 50 0 DHAAHN N=C1SC(Cc2ccccc2Cl)C(=O)N1c1ccccc1 ZINC000075149083 563860894 /nfs/dbraw/zinc/86/08/94/563860894.db2.gz UVAOXTRNBJLQQE-CQSZACIVSA-N 0 3 316.813 3.966 50 0 DHAAHN C[C@H](C(=O)N(C)c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000229720314 563870956 /nfs/dbraw/zinc/87/09/56/563870956.db2.gz WLMRZHOTYMHCHD-SJLPKXTDSA-N 0 3 308.425 3.527 50 0 DHAAHN Cc1cc([C@@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C)o1 ZINC000089580462 563891246 /nfs/dbraw/zinc/89/12/46/563891246.db2.gz SSQFQZADRGIFRN-ZIAGYGMSSA-N 0 3 310.401 3.889 50 0 DHAAHN CCCN(Cc1ccco1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036096519 563893371 /nfs/dbraw/zinc/89/33/71/563893371.db2.gz BTTQTPLLTKJMIP-OAHLLOKOSA-N 0 3 323.820 3.585 50 0 DHAAHN CCC[C@@H]1CCCN(Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000170596950 563907171 /nfs/dbraw/zinc/90/71/71/563907171.db2.gz ILVCOLYTSPUCFQ-OAHLLOKOSA-N 0 3 316.449 3.786 50 0 DHAAHN COc1ccc(OC)c(-c2cncc(CN3CCCCC3)c2)c1 ZINC000037279087 563908115 /nfs/dbraw/zinc/90/81/15/563908115.db2.gz VUTDXTLHCRJBQL-UHFFFAOYSA-N 0 3 312.413 3.752 50 0 DHAAHN Cc1ccc([C@@H](C)NCCCC(=O)N2Cc3ccccc3C2)o1 ZINC000089596798 563910732 /nfs/dbraw/zinc/91/07/32/563910732.db2.gz MVPSJEULUWTIDZ-OAHLLOKOSA-N 0 3 312.413 3.561 50 0 DHAAHN C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc(F)c1 ZINC000089905222 563912146 /nfs/dbraw/zinc/91/21/46/563912146.db2.gz VTWCBUDAHVXBSS-OAHLLOKOSA-N 0 3 309.388 3.921 50 0 DHAAHN C[C@H](NCc1cc2ccccc2o1)c1cccc(-n2cncn2)c1 ZINC000080241158 563930861 /nfs/dbraw/zinc/93/08/61/563930861.db2.gz NWSQUTQMTFAKME-AWEZNQCLSA-N 0 3 318.380 3.864 50 0 DHAAHN Cc1nccn1CCCCN[C@H](C)c1nc2ccccc2s1 ZINC000095423165 563931676 /nfs/dbraw/zinc/93/16/76/563931676.db2.gz KQFMKISPPPKERI-CYBMUJFWSA-N 0 3 314.458 3.932 50 0 DHAAHN Cc1ccc(C)c([C@@H](C)NCC(=O)NC[C@H](C)c2ccccc2)c1 ZINC000095939079 563932042 /nfs/dbraw/zinc/93/20/42/563932042.db2.gz URDKRSKXTKIGJA-ZWKOTPCHSA-N 0 3 324.468 3.874 50 0 DHAAHN Cc1nc(C)c(CN2CCC[C@@H]2CC(=O)c2ccccc2)s1 ZINC000095965481 563932746 /nfs/dbraw/zinc/93/27/46/563932746.db2.gz TZDMXKVFAIGSFG-MRXNPFEDSA-N 0 3 314.454 3.997 50 0 DHAAHN CNCc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000095971502 563933495 /nfs/dbraw/zinc/93/34/95/563933495.db2.gz GJVIRSGHYCISFZ-HOTGVXAUSA-N 0 3 314.816 3.802 50 0 DHAAHN COc1cccc2cc([C@H](C)NC[C@@H](O)c3ccsc3)oc21 ZINC000095987937 563934258 /nfs/dbraw/zinc/93/42/58/563934258.db2.gz ZQAYESOMJXWIAK-SMDDNHRTSA-N 0 3 317.410 3.887 50 0 DHAAHN COc1ccc(C(=O)C(C)(C)N[C@H](C)Cc2ccccc2)cc1 ZINC000096027150 563935060 /nfs/dbraw/zinc/93/50/60/563935060.db2.gz MSBQBSYIMYLSRS-OAHLLOKOSA-N 0 3 311.425 3.877 50 0 DHAAHN C[C@@H](c1ccccc1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000097132244 563937876 /nfs/dbraw/zinc/93/78/76/563937876.db2.gz JMBDWKKGOUZKHY-KRWDZBQOSA-N 0 3 308.425 3.596 50 0 DHAAHN C[S@](=O)c1ccc(CN2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000230203010 563942056 /nfs/dbraw/zinc/94/20/56/563942056.db2.gz NFNSDAMWQCWVPB-NQIIRXRSSA-N 0 3 303.471 3.746 50 0 DHAAHN Fc1ccc([C@H]2CCN(Cc3cnc(-c4ccco4)nc3)C2)cc1 ZINC000670469497 563946932 /nfs/dbraw/zinc/94/69/32/563946932.db2.gz HYCBORNZYIGHBQ-INIZCTEOSA-N 0 3 323.371 3.865 50 0 DHAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2cc(-c3ccccc3)no2)c1 ZINC000069520682 563953227 /nfs/dbraw/zinc/95/32/27/563953227.db2.gz DDRSUZLRZIGMMB-GJZGRUSLSA-N 0 3 310.401 3.586 50 0 DHAAHN O[C@@H](CN1CC[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000069737985 563954445 /nfs/dbraw/zinc/95/44/45/563954445.db2.gz XXXVGSWKBKQDCE-QAPCUYQASA-N 0 3 301.817 3.863 50 0 DHAAHN CC(C)(C)c1ccccc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000069808455 563954719 /nfs/dbraw/zinc/95/47/19/563954719.db2.gz OJAMGIXCABRHQG-HNNXBMFYSA-N 0 3 315.461 3.686 50 0 DHAAHN CC(C)NC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000009833716 563957854 /nfs/dbraw/zinc/95/78/54/563957854.db2.gz SBLFHBREJCQFIK-UHFFFAOYSA-N 0 3 302.462 3.547 50 0 DHAAHN CN(C)c1ccc(CN[C@@H](CC(C)(C)C)c2cccnc2)cn1 ZINC000952987034 1032681111 /nfs/dbraw/zinc/68/11/11/1032681111.db2.gz IQRLZYSJPNHPHZ-KRWDZBQOSA-N 0 3 312.461 3.810 50 0 DHAAHN CC[C@H](c1ccccc1)N1CCC[C@H](CN=S(C)(C)=O)C1 ZINC000952994141 1032682787 /nfs/dbraw/zinc/68/27/87/1032682787.db2.gz VLSUNPHSEASGTC-NVXWUHKLSA-N 0 3 308.491 3.577 50 0 DHAAHN CCC[C@]1(COC)CCCN1Cc1nc(-c2ccccc2)no1 ZINC000194934286 1020673813 /nfs/dbraw/zinc/67/38/13/1020673813.db2.gz DLTNRGLJCWAQBV-GOSISDBHSA-N 0 3 315.417 3.518 50 0 DHAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(F)cc1 ZINC000004524881 1022424838 /nfs/dbraw/zinc/42/48/38/1022424838.db2.gz AVCYXRKRGKMSCJ-PKOBYXMFSA-N 0 3 324.399 3.582 50 0 DHAAHN CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@H](C)CCc1ccccc1 ZINC000012353989 1024501324 /nfs/dbraw/zinc/50/13/24/1024501324.db2.gz XSCSLSHNONYAPT-DNVCBOLYSA-N 0 3 314.473 3.902 50 0 DHAAHN COCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007524549 1024654700 /nfs/dbraw/zinc/65/47/00/1024654700.db2.gz FWLNJCPSFAZDPQ-UHFFFAOYSA-N 0 3 300.185 3.989 50 0 DHAAHN C[C@@H](NCCCNc1ccccc1)c1cc(Br)no1 ZINC000888098982 1024703581 /nfs/dbraw/zinc/70/35/81/1024703581.db2.gz SAYAYIDPCDPOFF-LLVKDONJSA-N 0 3 324.222 3.590 50 0 DHAAHN C[C@H](NCc1nc(Cl)cs1)[C@H](c1ccccc1)N(C)C ZINC000585117203 1029775707 /nfs/dbraw/zinc/77/57/07/1029775707.db2.gz URNSCCQITJBQFG-XHDPSFHLSA-N 0 3 309.866 3.578 50 0 DHAAHN CC(C)(C)[S@](=O)CCNCc1cc(Cl)cc2cccnc21 ZINC000089694428 1041065326 /nfs/dbraw/zinc/06/53/26/1041065326.db2.gz DPQOLIFDGCBXSD-NRFANRHFSA-N 0 3 324.877 3.525 50 0 DHAAHN CC(C)(C)OC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC000095698525 185383231 /nfs/dbraw/zinc/38/32/31/185383231.db2.gz ICVOJKXQMJHOFX-UHFFFAOYSA-N 0 3 319.232 3.608 50 0 DHAAHN Fc1cccc(CN[C@@H](CN2CCCC2)c2ccccc2)c1F ZINC000095393944 185352081 /nfs/dbraw/zinc/35/20/81/185352081.db2.gz YKDOEWJJJWBHKR-SFHVURJKSA-N 0 3 316.395 3.892 50 0 DHAAHN C[C@@H](c1ccc2ccccc2c1)N(C)CCCCS(C)(=O)=O ZINC000095413828 185358177 /nfs/dbraw/zinc/35/81/77/185358177.db2.gz WCVGWLBSBIEJRV-HNNXBMFYSA-N 0 3 319.470 3.657 50 0 DHAAHN Cc1ncccc1CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000097032588 185399324 /nfs/dbraw/zinc/39/93/24/185399324.db2.gz FFQPJZBUPVSNPV-INIZCTEOSA-N 0 3 306.413 3.646 50 0 DHAAHN CCN1CC[C@H](N(C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000071769280 191030413 /nfs/dbraw/zinc/03/04/13/191030413.db2.gz KRDBFLFYOFKQKD-SFHVURJKSA-N 0 3 309.413 3.819 50 0 DHAAHN COc1ccc(CN2CC(c3ccncc3)C2)c2ccccc12 ZINC000072145847 191052709 /nfs/dbraw/zinc/05/27/09/191052709.db2.gz XEGWPBDLCKJMQE-UHFFFAOYSA-N 0 3 304.393 3.843 50 0 DHAAHN c1ccc(-c2cccc(CN3CC(c4ccccn4)C3)c2)nc1 ZINC000072150308 191055884 /nfs/dbraw/zinc/05/58/84/191055884.db2.gz QAYRFWZJTISENK-UHFFFAOYSA-N 0 3 301.393 3.743 50 0 DHAAHN c1cn(-c2ccc(CN3CCC[C@H]3c3ccccn3)cc2)cn1 ZINC000072154499 191060049 /nfs/dbraw/zinc/06/00/49/191060049.db2.gz ZARGOOIBKLBSON-IBGZPJMESA-N 0 3 304.397 3.604 50 0 DHAAHN Cc1nccn1CCCN1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072166140 191065583 /nfs/dbraw/zinc/06/55/83/191065583.db2.gz NTOVUBCAHBLRAJ-GOSISDBHSA-N 0 3 323.444 3.603 50 0 DHAAHN Cc1nccn1CCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072166140 191065585 /nfs/dbraw/zinc/06/55/85/191065585.db2.gz NTOVUBCAHBLRAJ-GOSISDBHSA-N 0 3 323.444 3.603 50 0 DHAAHN c1cnn(-c2cccc(CN3CCC(c4ccncc4)CC3)c2)c1 ZINC000072476742 191178393 /nfs/dbraw/zinc/17/83/93/191178393.db2.gz MRIFSZCZTIOIPN-UHFFFAOYSA-N 0 3 318.424 3.647 50 0 DHAAHN Cc1cc(C)nc(N[C@H]2CCCN(CCCc3ccccc3)C2)n1 ZINC000072478106 191179170 /nfs/dbraw/zinc/17/91/70/191179170.db2.gz HLEZDSUPURBVTL-IBGZPJMESA-N 0 3 324.472 3.603 50 0 DHAAHN C[C@H](O)CNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000072714011 191220738 /nfs/dbraw/zinc/22/07/38/191220738.db2.gz FCVGEBBPOYXONE-VIFPVBQESA-N 0 3 300.185 3.724 50 0 DHAAHN C[C@H](NC[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000002686916 180946869 /nfs/dbraw/zinc/94/68/69/180946869.db2.gz MEFYHBGGTGOIRY-KSSFIOAISA-N 0 3 319.832 3.568 50 0 DHAAHN C[C@H](NC1CC1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003427109 181018061 /nfs/dbraw/zinc/01/80/61/181018061.db2.gz VNWVKPZBFUQNQR-LURJTMIESA-N 0 3 307.608 3.726 50 0 DHAAHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000004746172 181146881 /nfs/dbraw/zinc/14/68/81/181146881.db2.gz PAPGUHQDPFIYQU-INIZCTEOSA-N 0 3 320.864 3.565 50 0 DHAAHN CN(C)Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000073553335 191326833 /nfs/dbraw/zinc/32/68/33/191326833.db2.gz LNPLWMHRKHEDTH-FQEVSTJZSA-N 0 3 322.452 3.596 50 0 DHAAHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000073652498 191337228 /nfs/dbraw/zinc/33/72/28/191337228.db2.gz UDCUFWXNFAVXPZ-INIZCTEOSA-N 0 3 304.434 3.518 50 0 DHAAHN COc1ccc2[nH]c(C)c(C(=O)CN(C)C3CCCCC3)c2c1 ZINC000005093010 181202914 /nfs/dbraw/zinc/20/29/14/181202914.db2.gz ZDGXQPBZOMLXBM-UHFFFAOYSA-N 0 3 314.429 3.932 50 0 DHAAHN CN1CCCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000006054023 181308502 /nfs/dbraw/zinc/30/85/02/181308502.db2.gz MFDCRHJQWPESKR-UHFFFAOYSA-N 0 3 324.453 3.500 50 0 DHAAHN CN(CC(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000006084657 181311570 /nfs/dbraw/zinc/31/15/70/181311570.db2.gz CCLCMJZLHXXYKB-UHFFFAOYSA-N 0 3 314.351 3.908 50 0 DHAAHN O[C@]12CCCC[C@H]1[C@@H](c1cccc(Cl)c1Cl)NCC2 ZINC000006658426 181366680 /nfs/dbraw/zinc/36/66/80/181366680.db2.gz VIWGFBVZEDAVEE-GLQYFDAESA-N 0 3 300.229 3.949 50 0 DHAAHN CC(C)(C)OC(=O)N1CC[C@]2(CCCN2Cc2ccccc2)C1 ZINC000091361801 193046777 /nfs/dbraw/zinc/04/67/77/193046777.db2.gz LECMSITUHGZUDO-LJQANCHMSA-N 0 3 316.445 3.662 50 0 DHAAHN c1ccc2c(c1)cccc2CN1CCN(Cc2cccnc2)CC1 ZINC000019365693 182118978 /nfs/dbraw/zinc/11/89/78/182118978.db2.gz QGYFZZMPTKVOPV-UHFFFAOYSA-N 0 3 317.436 3.553 50 0 DHAAHN Fc1ccccc1CN1CCN(CCCc2ccccc2)CC1 ZINC000019842422 182155890 /nfs/dbraw/zinc/15/58/90/182155890.db2.gz CZEZXZRNBONEFN-UHFFFAOYSA-N 0 3 312.432 3.576 50 0 DHAAHN COc1ccc2[nH]c(C)c(CCNCc3cccc(C)n3)c2c1 ZINC000019798234 182150653 /nfs/dbraw/zinc/15/06/53/182150653.db2.gz PZWYJNKDDKOGBV-UHFFFAOYSA-N 0 3 309.413 3.521 50 0 DHAAHN CCOc1c(CNCCc2ccccc2F)cccc1OC ZINC000019871763 182159374 /nfs/dbraw/zinc/15/93/74/182159374.db2.gz OIJQKIRMNNLXKQ-UHFFFAOYSA-N 0 3 303.377 3.565 50 0 DHAAHN Fc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1 ZINC000019877307 182159996 /nfs/dbraw/zinc/15/99/96/182159996.db2.gz BFNLXKUMFCFPFW-UHFFFAOYSA-N 0 3 312.432 3.576 50 0 DHAAHN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)NCC2 ZINC000020010337 182177239 /nfs/dbraw/zinc/17/72/39/182177239.db2.gz NYOFLAMHIMULAO-KRWDZBQOSA-N 0 3 303.789 3.592 50 0 DHAAHN Cc1cc(CN2CCCC[C@@H]2CCc2cccs2)n(C)n1 ZINC000020206884 182197346 /nfs/dbraw/zinc/19/73/46/182197346.db2.gz GTPBBPFYVXVLLW-OAHLLOKOSA-N 0 3 303.475 3.777 50 0 DHAAHN Cc1cc(CN2CCCC[C@H]2CCc2cccs2)n(C)n1 ZINC000020206888 182197866 /nfs/dbraw/zinc/19/78/66/182197866.db2.gz GTPBBPFYVXVLLW-HNNXBMFYSA-N 0 3 303.475 3.777 50 0 DHAAHN CC[C@H](C)c1ccccc1OCCCN1CCN(CC)CC1 ZINC000020390448 182213578 /nfs/dbraw/zinc/21/35/78/182213578.db2.gz WGLDNGJKCLVIFW-KRWDZBQOSA-N 0 3 304.478 3.607 50 0 DHAAHN CCc1cc(OCCCCN2CCN(CC)CC2)ccc1Cl ZINC000020406321 182214697 /nfs/dbraw/zinc/21/46/97/182214697.db2.gz FIXBMCBLHZWPMJ-UHFFFAOYSA-N 0 3 324.896 3.699 50 0 DHAAHN Cc1ccccc1OCCCN1CCN(Cc2ccccc2)CC1 ZINC000020499986 182225300 /nfs/dbraw/zinc/22/53/00/182225300.db2.gz GCPDWRMITSTZNW-UHFFFAOYSA-N 0 3 324.468 3.582 50 0 DHAAHN Cc1cccc(CN2CC=C(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000021881786 182295926 /nfs/dbraw/zinc/29/59/26/182295926.db2.gz FDLULFGKRGYJCT-UHFFFAOYSA-N 0 3 324.399 3.905 50 0 DHAAHN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccc(OC)cc1 ZINC000021720976 182286710 /nfs/dbraw/zinc/28/67/10/182286710.db2.gz SJRCMALRLNXXJF-INIZCTEOSA-N 0 3 300.402 3.891 50 0 DHAAHN CCCCN(C)c1nc(SC)ncc1CNCC(CC)CC ZINC000022315469 182316967 /nfs/dbraw/zinc/31/69/67/182316967.db2.gz WUWFCQCIVPWUKW-UHFFFAOYSA-N 0 3 324.538 3.961 50 0 DHAAHN OC[C@@H]1CCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000023279904 182355797 /nfs/dbraw/zinc/35/57/97/182355797.db2.gz CHKSXRXEXLKVCV-CYBMUJFWSA-N 0 3 305.805 3.804 50 0 DHAAHN CCN(CC)[C@@H](CNC(=O)c1cccc(C)c1)c1ccccc1 ZINC000028291875 182519019 /nfs/dbraw/zinc/51/90/19/182519019.db2.gz DNIHMFUCJATLTQ-IBGZPJMESA-N 0 3 310.441 3.808 50 0 DHAAHN O=C(Cc1cccc(F)c1)Nc1cccc(CN2CCCC2)c1 ZINC000040086936 183031724 /nfs/dbraw/zinc/03/17/24/183031724.db2.gz SMVKOWYDMAESRS-UHFFFAOYSA-N 0 3 312.388 3.603 50 0 DHAAHN C[C@@H](CNC(=O)Nc1ccccc1Cl)N1CCC[C@H](C)C1 ZINC000040095587 183034184 /nfs/dbraw/zinc/03/41/84/183034184.db2.gz NUMRBBIMQWTPNK-STQMWFEESA-N 0 3 309.841 3.582 50 0 DHAAHN CC(C)c1ccc(/C=C/C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000044215885 183398580 /nfs/dbraw/zinc/39/85/80/183398580.db2.gz ZHHKBFCVAWNZEU-BJMVGYQFSA-N 0 3 312.457 3.566 50 0 DHAAHN C[C@H](NCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000057303444 184032699 /nfs/dbraw/zinc/03/26/99/184032699.db2.gz IGDZQGSTRHSCND-HNNXBMFYSA-N 0 3 304.393 3.957 50 0 DHAAHN CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccccc2CN(C)C)C1(C)C ZINC000058086872 184073806 /nfs/dbraw/zinc/07/38/06/184073806.db2.gz IZNOMXSITZRZIS-ROUUACIJSA-N 0 3 314.473 3.603 50 0 DHAAHN CCc1ccsc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000060155627 184145070 /nfs/dbraw/zinc/14/50/70/184145070.db2.gz GVICYAKFXXGISP-INIZCTEOSA-N 0 3 316.470 3.652 50 0 DHAAHN c1cnn(Cc2cccc(CN3CCC[C@@H]3c3ccccn3)c2)c1 ZINC000065454861 184347543 /nfs/dbraw/zinc/34/75/43/184347543.db2.gz FHNJNFBZLOMIJR-HXUWFJFHSA-N 0 3 318.424 3.664 50 0 DHAAHN CCCNC(=O)c1cccnc1-c1ccc([C@@H](C)N(C)C)cc1 ZINC000426478725 257249463 /nfs/dbraw/zinc/24/94/63/257249463.db2.gz JTGFHCUHUVIDFD-CQSZACIVSA-N 0 3 311.429 3.511 50 0 DHAAHN CCC[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000069703813 184838926 /nfs/dbraw/zinc/83/89/26/184838926.db2.gz IUXLYECLRJBZAW-CABCVRRESA-N 0 3 308.491 3.513 50 0 DHAAHN O=C(CC1CCCC1)NCC1CCN(Cc2cccs2)CC1 ZINC000038584371 331676447 /nfs/dbraw/zinc/67/64/47/331676447.db2.gz LGRBLMSNTZXHSR-UHFFFAOYSA-N 0 3 320.502 3.657 50 0 DHAAHN Nc1cccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1 ZINC000195186325 335101756 /nfs/dbraw/zinc/10/17/56/335101756.db2.gz UNCRXBQTPREXNZ-UHFFFAOYSA-N 0 3 309.413 3.507 50 0 DHAAHN CCNC(=O)c1ccc(CNC/C(C)=C/c2ccccc2)cc1 ZINC000102422459 336287202 /nfs/dbraw/zinc/28/72/02/336287202.db2.gz YALJLKOMEGOKKH-DTQAZKPQSA-N 0 3 308.425 3.629 50 0 DHAAHN c1nnc(C2CC2)n1CCNC1c2ccccc2-c2ccccc21 ZINC000097234780 337382402 /nfs/dbraw/zinc/38/24/02/337382402.db2.gz DAIDEACUHPQURC-UHFFFAOYSA-N 0 3 316.408 3.515 50 0 DHAAHN CCc1nccn1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000124653053 522599966 /nfs/dbraw/zinc/59/99/66/522599966.db2.gz FTRUTFPPIURCCY-SFHVURJKSA-N 0 3 320.440 3.831 50 0 DHAAHN CC(C)=CCC[C@@H](C)CN1CCc2nnc(C(C)C)n2CC1 ZINC000011967779 563603035 /nfs/dbraw/zinc/60/30/35/563603035.db2.gz OOTPWYZBVDWKEW-MRXNPFEDSA-N 0 3 304.482 3.642 50 0 DHAAHN CN1CCN(c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000000135717 563222279 /nfs/dbraw/zinc/22/22/79/563222279.db2.gz JZDZWTQFXWJFLK-UHFFFAOYSA-N 0 3 303.409 3.654 50 0 DHAAHN C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000002828248 563314364 /nfs/dbraw/zinc/31/43/64/563314364.db2.gz OGBRPHXDDFDNKN-KRWDZBQOSA-N 0 3 322.452 3.776 50 0 DHAAHN O=C(Nc1cccc(CN[C@@H]2CCCSC2)c1)c1ccco1 ZINC000097370892 563336548 /nfs/dbraw/zinc/33/65/48/563336548.db2.gz TWLWEVPJAXPAEZ-OAHLLOKOSA-N 0 3 316.426 3.517 50 0 DHAAHN CC[C@@H](c1ccc(F)cc1)N1CCC(c2noc(C)n2)CC1 ZINC000071915655 563344141 /nfs/dbraw/zinc/34/41/41/563344141.db2.gz BIQZKVOTQWVUBS-INIZCTEOSA-N 0 3 303.381 3.848 50 0 DHAAHN CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 ZINC000008099545 563344865 /nfs/dbraw/zinc/34/48/65/563344865.db2.gz OYPPVKRFBIWMSX-SXGWCWSVSA-N 0 3 317.230 3.837 50 0 world DHAAHN CCN(Cc1c[nH]nc1-c1ccc(C)c(C)c1)C[C@@H]1CCCO1 ZINC000011819799 563360105 /nfs/dbraw/zinc/36/01/05/563360105.db2.gz UUBIODINCSCANT-SFHVURJKSA-N 0 3 313.445 3.694 50 0 DHAAHN Cc1c(C)n(Cc2ccccn2)c2nc3c(c(N)c12)CCCCC3 ZINC000012324182 563366124 /nfs/dbraw/zinc/36/61/24/563366124.db2.gz XZFJPBLNPQASDV-UHFFFAOYSA-N 0 3 320.440 3.948 50 0 DHAAHN COc1ccc(CC[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000012439114 563370038 /nfs/dbraw/zinc/37/00/38/563370038.db2.gz CSGAXWOOCSGOBO-SFHVURJKSA-N 0 3 310.441 3.935 50 0 DHAAHN CCc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)sc1C ZINC000025420096 563422555 /nfs/dbraw/zinc/42/25/55/563422555.db2.gz QDOFSSPEUQCFDL-INIZCTEOSA-N 0 3 316.470 3.652 50 0 DHAAHN CCCCC(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027662487 563429306 /nfs/dbraw/zinc/42/93/06/563429306.db2.gz WITHJCXUNDLCMN-HNNXBMFYSA-N 0 3 308.491 3.972 50 0 DHAAHN Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000027793168 563429861 /nfs/dbraw/zinc/42/98/61/563429861.db2.gz GHEHQBHESAZOPN-HXUWFJFHSA-N 0 3 322.452 3.870 50 0 DHAAHN CCSCCN(Cc1cnc(COC)nc1)C1CCCCC1 ZINC000055386347 563475751 /nfs/dbraw/zinc/47/57/51/563475751.db2.gz FVMPSRAAJCVTHL-UHFFFAOYSA-N 0 3 323.506 3.511 50 0 DHAAHN C[C@H](C(=O)N(Cc1cccs1)C1CC1)[C@H](N)c1ccccc1 ZINC000096467575 563483786 /nfs/dbraw/zinc/48/37/86/563483786.db2.gz AWRBBEVNXAUPRZ-GUYCJALGSA-N 0 3 314.454 3.575 50 0 DHAAHN Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000067742160 563490726 /nfs/dbraw/zinc/49/07/26/563490726.db2.gz WTULYTLDLHBBGN-QGZVFWFLSA-N 0 3 322.452 3.734 50 0 DHAAHN FC(F)(F)c1cccnc1CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000097034997 563504319 /nfs/dbraw/zinc/50/43/19/563504319.db2.gz PSEFAMJHVCYWPT-ZFWWWQNUSA-N 0 3 324.350 3.570 50 0 DHAAHN C[C@@H](CN(C)Cc1cc(-c2cccnc2)no1)c1ccccc1 ZINC000077322824 563509161 /nfs/dbraw/zinc/50/91/61/563509161.db2.gz QMMNRMFUYZVPGD-HNNXBMFYSA-N 0 3 307.397 3.972 50 0 DHAAHN FC(F)(F)c1ccccc1CN1CCC[C@H](Cn2ccnc2)C1 ZINC000097600954 563540344 /nfs/dbraw/zinc/54/03/44/563540344.db2.gz KTSCPIDAKUNRMB-AWEZNQCLSA-N 0 3 323.362 3.814 50 0 DHAAHN COc1ccc(OC)c(CNCCc2c[nH]c3ccccc23)c1 ZINC000002903417 563635552 /nfs/dbraw/zinc/63/55/52/563635552.db2.gz DSAQIRIJRRTCRL-UHFFFAOYSA-N 0 3 310.397 3.517 50 0 DHAAHN O[C@H](C[C@@H]1CCCCCN1Cc1cccnc1)c1ccco1 ZINC000108105072 563686708 /nfs/dbraw/zinc/68/67/08/563686708.db2.gz XCEGMYDVNHNARH-DLBZAZTESA-N 0 3 300.402 3.543 50 0 DHAAHN Cc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000044949398 563686974 /nfs/dbraw/zinc/68/69/74/563686974.db2.gz XJVNJUUGCWIADV-UHFFFAOYSA-N 0 3 301.390 3.876 50 0 DHAAHN CC(=O)c1cc(CN2CCC[C@@H](c3ccccc3)CC2)n(C)c1 ZINC000215757066 563706904 /nfs/dbraw/zinc/70/69/04/563706904.db2.gz XYWXLVJJMUWZOW-GOSISDBHSA-N 0 3 310.441 3.997 50 0 DHAAHN CCn1ccc2ccc(CN3CCC[C@H](c4ccncn4)C3)cc21 ZINC000216120294 563707914 /nfs/dbraw/zinc/70/79/14/563707914.db2.gz TVXKKZKNDMCHIV-SFHVURJKSA-N 0 3 320.440 3.831 50 0 DHAAHN COc1cccc([C@H]2CCCCN2Cc2cccc3nonc32)c1 ZINC000216370229 563708870 /nfs/dbraw/zinc/70/88/70/563708870.db2.gz LBHSMMVQDAVCNK-GOSISDBHSA-N 0 3 323.396 3.959 50 0 DHAAHN CCCCN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000222300816 563724626 /nfs/dbraw/zinc/72/46/26/563724626.db2.gz PWGKZFRCSNUVMF-RHSMWYFYSA-N 0 3 316.445 3.603 50 0 DHAAHN CCCNCc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000247889218 563782256 /nfs/dbraw/zinc/78/22/56/563782256.db2.gz FHJFAKXJQVSNMM-UHFFFAOYSA-N 0 3 320.440 3.801 50 0 DHAAHN CC[C@H](c1ccc(OC)cc1)N(C)Cc1[nH]cc(C)c(=O)c1C ZINC000253537387 563784615 /nfs/dbraw/zinc/78/46/15/563784615.db2.gz UADMSGVAQHKBLB-GOSISDBHSA-N 0 3 314.429 3.996 50 0 DHAAHN CN1CCC(NC(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000078394942 563808704 /nfs/dbraw/zinc/80/87/04/563808704.db2.gz CVOLOPJSGCJWIO-UHFFFAOYSA-N 0 3 315.442 3.631 50 0 DHAAHN CO[C@@H](CNCc1c[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000075093171 563859330 /nfs/dbraw/zinc/85/93/30/563859330.db2.gz GXGAQDKYZBPIHG-SFHVURJKSA-N 0 3 307.397 3.554 50 0 DHAAHN CO[C@@H](CNCc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000075093171 563859332 /nfs/dbraw/zinc/85/93/32/563859332.db2.gz GXGAQDKYZBPIHG-SFHVURJKSA-N 0 3 307.397 3.554 50 0 DHAAHN CC(C)(C)[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(F)cc1 ZINC000053644043 563864844 /nfs/dbraw/zinc/86/48/44/563864844.db2.gz YXEYOGUMGJSKQX-KRWDZBQOSA-N 0 3 314.404 3.802 50 0 DHAAHN CC(=O)Nc1cccc([C@H](C)NC[C@H](C)c2c(C)noc2C)c1 ZINC000090762849 563875703 /nfs/dbraw/zinc/87/57/03/563875703.db2.gz ZVSACHBDANCMJU-RYUDHWBXSA-N 0 3 315.417 3.704 50 0 DHAAHN CCc1ccccc1NC(=O)C[C@H](C)NCc1ccsc1 ZINC000089289567 563883908 /nfs/dbraw/zinc/88/39/08/563883908.db2.gz BBYWKWKILHRDLS-ZDUSSCGKSA-N 0 3 302.443 3.817 50 0 DHAAHN CCC[C@H](O)CN(CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097288 563892895 /nfs/dbraw/zinc/89/28/95/563892895.db2.gz PMOVTNFPCWBFTG-KRWDZBQOSA-N 0 3 323.477 3.713 50 0 DHAAHN CC[C@H](NCc1c[nH]nc1C)c1ccc(Br)cc1 ZINC000037886423 563930454 /nfs/dbraw/zinc/93/04/54/563930454.db2.gz OMCVDSWLSNYPJR-AWEZNQCLSA-N 0 3 308.223 3.722 50 0 DHAAHN CC[C@@H](NCCNC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000076092542 563912413 /nfs/dbraw/zinc/91/24/13/563912413.db2.gz BGTDRYAJDUGXOL-QGZVFWFLSA-N 0 3 316.832 3.811 50 0 DHAAHN CC(C)(C)[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000054397203 563912974 /nfs/dbraw/zinc/91/29/74/563912974.db2.gz WETPLCDCMODJGR-IBGZPJMESA-N 0 3 321.424 3.572 50 0 DHAAHN C[C@H](C(=O)N1CCC[C@H]1c1ccccc1)[C@H](N)c1ccccc1 ZINC000239366913 563913999 /nfs/dbraw/zinc/91/39/99/563913999.db2.gz AGSKPWPTCXZGGR-SNRMKQJTSA-N 0 3 308.425 3.686 50 0 DHAAHN CCCCN(C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002159954 563915679 /nfs/dbraw/zinc/91/56/79/563915679.db2.gz BGSZDPJMIDBZCN-FQEVSTJZSA-N 0 3 324.468 3.819 50 0 DHAAHN C[C@H]1C[NH+]=C(c2ccccc2)C=C(c2cc(Cl)ccc2[O-])N1 ZINC000107941619 563924215 /nfs/dbraw/zinc/92/42/15/563924215.db2.gz VWWDYAIHGPYVFI-LBPRGKRZSA-N 0 3 312.800 3.868 50 0 DHAAHN C[C@H](C(=O)N1CCC[C@@H]1c1ccccc1)[C@@H](N)c1ccccc1 ZINC000095965545 563932787 /nfs/dbraw/zinc/93/27/87/563932787.db2.gz AGSKPWPTCXZGGR-KFKAGJAMSA-N 0 3 308.425 3.686 50 0 DHAAHN C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccc2ccccc2n1 ZINC000095967211 563932967 /nfs/dbraw/zinc/93/29/67/563932967.db2.gz FRBYESYGQUPTHL-PBHICJAKSA-N 0 3 304.393 3.889 50 0 DHAAHN O=C(Nc1ccc2c(c1)CNCC2)c1cc(F)c(F)cc1Cl ZINC000095971613 563933372 /nfs/dbraw/zinc/93/33/72/563933372.db2.gz XUQSIFNOKTYGJG-UHFFFAOYSA-N 0 3 322.742 3.516 50 0 DHAAHN CC(C)[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000008002830 563946109 /nfs/dbraw/zinc/94/61/09/563946109.db2.gz BOCZOUPLVKMVDZ-SFHVURJKSA-N 0 3 318.367 3.890 50 0 DHAAHN CN1CCN(CCCOc2ccc(Cl)c3ccccc23)CC1 ZINC000039425352 563951123 /nfs/dbraw/zinc/95/11/23/563951123.db2.gz AYIMDDQKRQTVAP-UHFFFAOYSA-N 0 3 318.848 3.510 50 0 DHAAHN c1ccc(CCN2CCC(c3nc4ccccc4o3)CC2)nc1 ZINC000009338709 563955191 /nfs/dbraw/zinc/95/51/91/563955191.db2.gz AEGJBRGLPILRGI-UHFFFAOYSA-N 0 3 307.397 3.645 50 0 DHAAHN c1[nH]nc(-c2cccnc2)c1CN[C@H]1CCCc2ccccc21 ZINC000042907887 563959016 /nfs/dbraw/zinc/95/90/16/563959016.db2.gz HUPNTWQXKNMIBS-SFHVURJKSA-N 0 3 304.397 3.639 50 0 DHAAHN COc1ccc(CNCc2ccccc2)cc1Br ZINC000002886426 568414273 /nfs/dbraw/zinc/41/42/73/568414273.db2.gz ATAHVTILYSPSBQ-UHFFFAOYSA-N 0 3 306.203 3.748 50 0 DHAAHN O=C(CN1CCC[C@@H]1C1CCCCC1)Nc1ccc(Cl)cn1 ZINC000071812725 568419857 /nfs/dbraw/zinc/41/98/57/568419857.db2.gz ZDKBBAHFDXOFBD-OAHLLOKOSA-N 0 3 321.852 3.718 50 0 DHAAHN CCN(Cc1nc(-c2ccsc2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289808458 1014468880 /nfs/dbraw/zinc/46/88/80/1014468880.db2.gz NHYLKXNCPQPFHQ-ZDUSSCGKSA-N 0 3 321.446 3.578 50 0 DHAAHN CCN(Cc1nc(-c2ccsc2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289808450 1014470048 /nfs/dbraw/zinc/47/00/48/1014470048.db2.gz NHYLKXNCPQPFHQ-CYBMUJFWSA-N 0 3 321.446 3.578 50 0 DHAAHN COc1cc(C)c(CNCc2cccc(CO)c2)cc1C(C)C ZINC000952962392 1032671719 /nfs/dbraw/zinc/67/17/19/1032671719.db2.gz BCPIQJSVPJYOSN-UHFFFAOYSA-N 0 3 313.441 3.909 50 0 DHAAHN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C(N)=O)cc2)o1 ZINC000076120595 1017376403 /nfs/dbraw/zinc/37/64/03/1017376403.db2.gz WJDJWQUPNWNYDY-CXAGYDPISA-N 0 3 312.413 3.660 50 0 DHAAHN CC[C@H](Cc1ccco1)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000822620682 1020345737 /nfs/dbraw/zinc/34/57/37/1020345737.db2.gz WHVKBNKMXBMIDV-GFCCVEGCSA-N 0 3 303.793 3.920 50 0 DHAAHN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)c1ccccc1 ZINC000023281079 1020472633 /nfs/dbraw/zinc/47/26/33/1020472633.db2.gz BZPRPXJRGVZBOU-INIZCTEOSA-N 0 3 309.331 3.871 50 0 DHAAHN Cc1ccc(-n2cccn2)c(CN(Cc2cccnc2)C(C)C)c1 ZINC000825158475 1020629019 /nfs/dbraw/zinc/62/90/19/1020629019.db2.gz QRLNGVDQNQVVIW-UHFFFAOYSA-N 0 3 320.440 3.986 50 0 DHAAHN O=C(Cc1cccs1)Nc1ccccc1CN1CCCCC1 ZINC000828075137 1020811092 /nfs/dbraw/zinc/81/10/92/1020811092.db2.gz OLEGUANXVWABKE-UHFFFAOYSA-N 0 3 314.454 3.915 50 0 DHAAHN Cc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)cc1 ZINC000828160984 1020818074 /nfs/dbraw/zinc/81/80/74/1020818074.db2.gz ATOVVHXSFRDEKX-UHFFFAOYSA-N 0 3 322.452 3.878 50 0 DHAAHN O=C(c1cccc(CNC/C=C\c2ccccc2)c1)N1CCCC1 ZINC000098009386 1021476781 /nfs/dbraw/zinc/47/67/81/1021476781.db2.gz HUMXXLMQQOVCFL-XFFZJAGNSA-N 0 3 320.436 3.726 50 0 DHAAHN CCCn1c(C)cnc1[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000581816494 1021854042 /nfs/dbraw/zinc/85/40/42/1021854042.db2.gz XMGIHBANNRJORI-OAHLLOKOSA-N 0 3 319.399 3.869 50 0 DHAAHN CC[C@](C)(NC1CCCCC1)c1nnnn1-c1ccc(C)cc1 ZINC000046078292 1023662590 /nfs/dbraw/zinc/66/25/90/1023662590.db2.gz CYIXITQQQCABBP-SFHVURJKSA-N 0 3 313.449 3.518 50 0 DHAAHN COc1cccc(N2CCN(Cc3cc(C)ccc3C)CC2)c1 ZINC000004980314 1024137915 /nfs/dbraw/zinc/13/79/15/1024137915.db2.gz VQIZURMNGRAYOH-UHFFFAOYSA-N 0 3 310.441 3.634 50 0 DHAAHN CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC000155854228 1029319332 /nfs/dbraw/zinc/31/93/32/1029319332.db2.gz DJKPRPXYABSTCF-IBGZPJMESA-N 0 3 314.473 3.933 50 0 DHAAHN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cc[nH]c(=O)c1 ZINC000585116951 1029774632 /nfs/dbraw/zinc/77/46/32/1029774632.db2.gz NFTYIHNFJZUUEI-SNVBAGLBSA-N 0 3 316.792 3.510 50 0 DHAAHN C/C(=C/c1ccccc1)CN1CCC(N2CCCCC2=O)CC1 ZINC000093741666 1031125744 /nfs/dbraw/zinc/12/57/44/1031125744.db2.gz OCZSAJGTEHHREB-ICFOKQHNSA-N 0 3 312.457 3.567 50 0 DHAAHN COCc1cc(CNCC2=Cc3ccccc3OC2)ccc1F ZINC000171646605 1039568942 /nfs/dbraw/zinc/56/89/42/1039568942.db2.gz AAVDFNJOPGSBJF-UHFFFAOYSA-N 0 3 313.372 3.538 50 0 DHAAHN O=C(c1cccc(CNC/C=C/c2ccccc2)c1)N1CCCC1 ZINC000078979830 185139748 /nfs/dbraw/zinc/13/97/48/185139748.db2.gz HUMXXLMQQOVCFL-YRNVUSSQSA-N 0 3 320.436 3.726 50 0 DHAAHN CC[C@@H](NCc1ccc(OC)c(NC(C)=O)c1)c1ccccc1 ZINC000079030383 185147670 /nfs/dbraw/zinc/14/76/70/185147670.db2.gz YZWMAGSRULDGGO-QGZVFWFLSA-N 0 3 312.413 3.895 50 0 DHAAHN CC(C)C[C@@H]1CCCCCN1Cc1nnc(C2CCC2)n1C ZINC000181371565 199287330 /nfs/dbraw/zinc/28/73/30/199287330.db2.gz XBDHQSHURZDLTG-INIZCTEOSA-N 0 3 304.482 3.873 50 0 DHAAHN CNCc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000095402545 185354927 /nfs/dbraw/zinc/35/49/27/185354927.db2.gz LJQONNLWYWTBRM-UHFFFAOYSA-N 0 3 311.360 3.832 50 0 DHAAHN c1nc(-c2cccc(CNCc3cc4ccccc4s3)c2)n[nH]1 ZINC000095412245 185357654 /nfs/dbraw/zinc/35/76/54/185357654.db2.gz ZKTKWBALXRETJA-UHFFFAOYSA-N 0 3 320.421 3.976 50 0 DHAAHN Cc1ccc(-c2nc(CCN[C@@H](C)c3cnccn3)cs2)cc1 ZINC000095421681 185360988 /nfs/dbraw/zinc/36/09/88/185360988.db2.gz UWHBVMKDLUESQQ-AWEZNQCLSA-N 0 3 324.453 3.802 50 0 DHAAHN Cc1ccc(C)c(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000095440194 185366032 /nfs/dbraw/zinc/36/60/32/185366032.db2.gz YBIBXFRXPKTPES-QVKFZJNVSA-N 0 3 301.455 3.892 50 0 DHAAHN Cc1ccc(C)c(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000095440193 185366119 /nfs/dbraw/zinc/36/61/19/185366119.db2.gz YBIBXFRXPKTPES-YCRPNKLZSA-N 0 3 301.455 3.892 50 0 DHAAHN Cc1ccc2c(c1)[C@@H](NCc1ccc(C3OCCO3)cc1)CC2 ZINC000097016944 185397648 /nfs/dbraw/zinc/39/76/48/185397648.db2.gz XOKKZFZWXHSRJY-IBGZPJMESA-N 0 3 309.409 3.818 50 0 DHAAHN Cc1c(NC2CCN(Cc3cccnc3)CC2)cccc1N(C)C ZINC000097084721 185407323 /nfs/dbraw/zinc/40/73/23/185407323.db2.gz DIFONGXGRMCZRA-UHFFFAOYSA-N 0 3 324.472 3.533 50 0 DHAAHN CN(C)Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000083851229 192386209 /nfs/dbraw/zinc/38/62/09/192386209.db2.gz CPTZEABRFZNKFQ-UHFFFAOYSA-N 0 3 300.427 3.551 50 0 DHAAHN O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000071770667 191030064 /nfs/dbraw/zinc/03/00/64/191030064.db2.gz IOCMJUXJUBZFSJ-UHFFFAOYSA-N 0 3 323.436 3.633 50 0 DHAAHN CC(C)=CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072147262 191052945 /nfs/dbraw/zinc/05/29/45/191052945.db2.gz GOFLGNWUSBZSIN-UHFFFAOYSA-N 0 3 313.363 3.955 50 0 DHAAHN CC1(NC(=O)C2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000072437381 191166566 /nfs/dbraw/zinc/16/65/66/191166566.db2.gz PNDMLKCBLMSHKE-UHFFFAOYSA-N 0 3 314.473 3.738 50 0 DHAAHN CCc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000000299632 180751624 /nfs/dbraw/zinc/75/16/24/180751624.db2.gz XDBBTWYRQFDBSE-UHFFFAOYSA-N 0 3 316.489 3.623 50 0 DHAAHN COc1ccccc1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000002514493 180929085 /nfs/dbraw/zinc/92/90/85/180929085.db2.gz BKNOEGQBQUASCF-UHFFFAOYSA-N 0 3 309.409 3.912 50 0 DHAAHN CCn1c2ccccc2c2cc(NC(=O)CNC3CC3)ccc21 ZINC000003305925 181002720 /nfs/dbraw/zinc/00/27/20/181002720.db2.gz LERGHEWVFKEWQW-UHFFFAOYSA-N 0 3 307.397 3.505 50 0 DHAAHN CC1CCC(N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000004700847 181139266 /nfs/dbraw/zinc/13/92/66/181139266.db2.gz RWOXHNQPEVJPNC-UHFFFAOYSA-N 0 3 320.864 3.677 50 0 DHAAHN Cc1cc(C)cc(NC(=O)CCN2CCc3ccccc3C2)c1 ZINC000004744700 181146098 /nfs/dbraw/zinc/14/60/98/181146098.db2.gz YHFOPPVJYAHVRA-UHFFFAOYSA-N 0 3 308.425 3.690 50 0 DHAAHN COc1ccccc1CNC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000005459561 181246336 /nfs/dbraw/zinc/24/63/36/181246336.db2.gz WBVAJJLOVWEBBS-UHFFFAOYSA-N 0 3 323.392 3.917 50 0 DHAAHN C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1F ZINC000237399102 202254245 /nfs/dbraw/zinc/25/42/45/202254245.db2.gz UBFYZCFPJPHSLR-SNVBAGLBSA-N 0 3 322.321 3.642 50 0 DHAAHN OC(/C=C\CN1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000006228733 181321380 /nfs/dbraw/zinc/32/13/80/181321380.db2.gz ZOVDFMBYOLTYRD-GDNBJRDFSA-N 0 3 307.437 3.965 50 0 DHAAHN CNCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000095971501 193467885 /nfs/dbraw/zinc/46/78/85/193467885.db2.gz GJVIRSGHYCISFZ-JKSUJKDBSA-N 0 3 314.816 3.802 50 0 DHAAHN Cc1c([O-])ccc2c(C[N@@H+](C)C3CCCCC3)cc(=O)oc12 ZINC000016445607 182045382 /nfs/dbraw/zinc/04/53/82/182045382.db2.gz DBBIDPOPGNCGRF-UHFFFAOYSA-N 0 3 301.386 3.572 50 0 DHAAHN Cc1c([O-])ccc2c(C[N@H+](C)C3CCCCC3)cc(=O)oc12 ZINC000016445607 182045385 /nfs/dbraw/zinc/04/53/85/182045385.db2.gz DBBIDPOPGNCGRF-UHFFFAOYSA-N 0 3 301.386 3.572 50 0 DHAAHN O=C(NCCN1CCCCC1)Nc1ccc(Cl)cc1Cl ZINC000017053644 182071504 /nfs/dbraw/zinc/07/15/04/182071504.db2.gz QPOLSIWWMDKZAY-UHFFFAOYSA-N 0 3 316.232 3.601 50 0 DHAAHN CCc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 ZINC000019359007 182117839 /nfs/dbraw/zinc/11/78/39/182117839.db2.gz ZGTIYVMUCOZVMJ-UHFFFAOYSA-N 0 3 322.496 3.999 50 0 DHAAHN c1ccc2c(c1)cccc2CN1CCN(Cc2ccncc2)CC1 ZINC000019376382 182120788 /nfs/dbraw/zinc/12/07/88/182120788.db2.gz LASBYUDWFSSBFO-UHFFFAOYSA-N 0 3 317.436 3.553 50 0 DHAAHN CCCCCCOc1ccc(CN2CCN(CC)CC2)cc1 ZINC000019635060 182134318 /nfs/dbraw/zinc/13/43/18/182134318.db2.gz PAWJOLDYSVNDLF-UHFFFAOYSA-N 0 3 304.478 3.783 50 0 DHAAHN Clc1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019788046 182148506 /nfs/dbraw/zinc/14/85/06/182148506.db2.gz WDEUKRRXDADAJJ-INIZCTEOSA-N 0 3 304.865 3.814 50 0 DHAAHN FC(F)(F)c1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000019789461 182148807 /nfs/dbraw/zinc/14/88/07/182148807.db2.gz LRYPLCXKSMOJTK-UHFFFAOYSA-N 0 3 312.379 3.766 50 0 DHAAHN Clc1ccccc1CCCN1CCN(C2CCCC2)CC1 ZINC000019835523 182155046 /nfs/dbraw/zinc/15/50/46/182155046.db2.gz STXGZUUWZFXOAY-UHFFFAOYSA-N 0 3 306.881 3.833 50 0 DHAAHN Oc1cccc([C@@H](O)CNCc2ccc(Cl)cc2Cl)c1 ZINC000019871704 182159060 /nfs/dbraw/zinc/15/90/60/182159060.db2.gz FDMOJDWENIPPIZ-HNNXBMFYSA-N 0 3 312.196 3.522 50 0 DHAAHN Brc1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000019889652 182160953 /nfs/dbraw/zinc/16/09/53/182160953.db2.gz CISTZZYZKHXSBM-UHFFFAOYSA-N 0 3 323.278 3.509 50 0 DHAAHN CN1CCN(CCCOc2ccc(Cl)cc2C(C)(C)C)CC1 ZINC000020118330 182189392 /nfs/dbraw/zinc/18/93/92/182189392.db2.gz LWFIJMODXSLSEM-UHFFFAOYSA-N 0 3 324.896 3.654 50 0 DHAAHN CCc1ccc([C@@H](CNC(=O)c2sccc2C)N(C)C)cc1 ZINC000022683927 182330652 /nfs/dbraw/zinc/33/06/52/182330652.db2.gz ONOFMJAWCGZEMH-MRXNPFEDSA-N 0 3 316.470 3.652 50 0 DHAAHN COc1ccc(CCN(C)Cc2ccc(F)c(F)c2)cc1OC ZINC000023114965 182348602 /nfs/dbraw/zinc/34/86/02/182348602.db2.gz DJSGLGCQMQQCBC-UHFFFAOYSA-N 0 3 321.367 3.657 50 0 DHAAHN Cc1cc(C)c(CNC[C@@H](O)c2ccc(F)c(F)c2)c(C)c1 ZINC000040088598 183032922 /nfs/dbraw/zinc/03/29/22/183032922.db2.gz JTYBYOVSNNCKOC-GOSISDBHSA-N 0 3 305.368 3.713 50 0 DHAAHN CC(C)N(Cc1cnn(C)c1)Cc1ccc(F)c2cccnc12 ZINC000055919855 184000686 /nfs/dbraw/zinc/00/06/86/184000686.db2.gz DFAZUTSKOJQRBK-UHFFFAOYSA-N 0 3 312.392 3.518 50 0 DHAAHN CCCCN[C@H]1C(C)=C(C)C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000057270776 184031395 /nfs/dbraw/zinc/03/13/95/184031395.db2.gz SSBLOYDKKYDGAY-HNAYVOBHSA-N 0 3 314.473 3.902 50 0 DHAAHN CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000057315425 184032887 /nfs/dbraw/zinc/03/28/87/184032887.db2.gz AAVNHHQXYQPJII-QGZVFWFLSA-N 0 3 317.820 3.660 50 0 DHAAHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000058169741 184083866 /nfs/dbraw/zinc/08/38/66/184083866.db2.gz FUQHGKVGEAGGGG-PMPSAXMXSA-N 0 3 308.425 3.704 50 0 DHAAHN C[C@H](N[C@H]1CCCc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000058160751 184082357 /nfs/dbraw/zinc/08/23/57/184082357.db2.gz GWKFRPFDMSUKOX-KXBFYZLASA-N 0 3 320.436 3.631 50 0 DHAAHN Cc1cc(C(=O)N(CCN(C)C)c2ccccc2)c(C)s1 ZINC000058298071 184102259 /nfs/dbraw/zinc/10/22/59/184102259.db2.gz ZHWFAMLZPHOFOH-UHFFFAOYSA-N 0 3 302.443 3.573 50 0 DHAAHN Cc1ccccc1NC(=O)CCN[C@@H](c1ncccc1C)C1CC1 ZINC000065408567 184339426 /nfs/dbraw/zinc/33/94/26/184339426.db2.gz IATXKKVCPOKIDY-HXUWFJFHSA-N 0 3 323.440 3.768 50 0 DHAAHN CCC[C@@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000069670224 563954129 /nfs/dbraw/zinc/95/41/29/563954129.db2.gz IAUJYJZCZLNYLC-CQSZACIVSA-N 0 3 308.491 3.513 50 0 DHAAHN O[C@@]12CCCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)NCC2 ZINC000000187988 563229196 /nfs/dbraw/zinc/22/91/96/563229196.db2.gz INWMRQARFUAODH-VHDGCEQUSA-N 0 3 300.229 3.949 50 0 biogenic DHAAHN CCOC(=O)C[C@@H](N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000002582526 563310249 /nfs/dbraw/zinc/31/02/49/563310249.db2.gz BLSWWBILEDTHPM-OAHLLOKOSA-N 0 3 303.333 3.571 50 0 DHAAHN CCOCCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540943 563339451 /nfs/dbraw/zinc/33/94/51/563339451.db2.gz YOVANIXPRNACFF-CQSZACIVSA-N 0 3 303.402 3.516 50 0 DHAAHN COc1cc(CNC2CC2)ccc1OCc1ccccc1F ZINC000008472228 563347332 /nfs/dbraw/zinc/34/73/32/563347332.db2.gz SKSLTPOWKARUHF-UHFFFAOYSA-N 0 3 301.361 3.665 50 0 DHAAHN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCCC2)cc1 ZINC000010449942 563356528 /nfs/dbraw/zinc/35/65/28/563356528.db2.gz XLEKPJWSTYSFQO-MRXNPFEDSA-N 0 3 320.436 3.874 50 0 DHAAHN Cc1nc[nH]c1CN1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000012300295 563365557 /nfs/dbraw/zinc/36/55/57/563365557.db2.gz NUIUWKDOANKWRK-AWEZNQCLSA-N 0 3 319.399 3.841 50 0 DHAAHN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC)CC1 ZINC000012592758 563371511 /nfs/dbraw/zinc/37/15/11/563371511.db2.gz PCMJZIOPYOCNDX-UHFFFAOYSA-N 0 3 309.837 3.548 50 0 DHAAHN CN(C(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000013674605 563385654 /nfs/dbraw/zinc/38/56/54/563385654.db2.gz OKNHOXWSHUXIHB-UHFFFAOYSA-N 0 3 308.425 3.949 50 0 DHAAHN CN(Cc1ccc(C(N)=O)cc1)Cc1ccc2ccccc2c1 ZINC000014014981 563393922 /nfs/dbraw/zinc/39/39/22/563393922.db2.gz NULQFNFEMLBJCD-UHFFFAOYSA-N 0 3 304.393 3.571 50 0 DHAAHN Cc1ccsc1C(=O)[C@@H]1CCCN(C2CCSCC2)C1 ZINC000015073093 563406734 /nfs/dbraw/zinc/40/67/34/563406734.db2.gz OEUUCHHEQKQUJC-CYBMUJFWSA-N 0 3 309.500 3.847 50 0 DHAAHN Cc1c2c(cc3c1[C@H](n1ccc4ccccc41)N(C)CC3)OCO2 ZINC000015107699 563407825 /nfs/dbraw/zinc/40/78/25/563407825.db2.gz BOVMWYXULVNIRA-FQEVSTJZSA-N 0 3 320.392 3.713 50 0 DHAAHN Cc1ccc(F)cc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000032901676 563410360 /nfs/dbraw/zinc/41/03/60/563410360.db2.gz ZOYHIKSQNUCXKG-UHFFFAOYSA-N 0 3 312.388 3.982 50 0 DHAAHN Cc1ccc([C@@H](CNC(=O)CC(C)C)N2CCCCC2)cc1 ZINC000027583961 563428633 /nfs/dbraw/zinc/42/86/33/563428633.db2.gz YMYGBELISPTPPX-GOSISDBHSA-N 0 3 302.462 3.684 50 0 DHAAHN Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000027793171 563429991 /nfs/dbraw/zinc/42/99/91/563429991.db2.gz GHEHQBHESAZOPN-FQEVSTJZSA-N 0 3 322.452 3.870 50 0 DHAAHN Cc1c(C)n(C[C@H](O)CNCc2ccccc2)c2ccc(C)cc12 ZINC000028297089 563431307 /nfs/dbraw/zinc/43/13/07/563431307.db2.gz MPZAGZWOMAQZPD-LJQANCHMSA-N 0 3 322.452 3.717 50 0 DHAAHN Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)cc1 ZINC000028292035 563431505 /nfs/dbraw/zinc/43/15/05/563431505.db2.gz FBGONEOAMHOCKW-FQEVSTJZSA-N 0 3 322.452 3.952 50 0 DHAAHN O=C(CCc1ccccc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000029177340 563433965 /nfs/dbraw/zinc/43/39/65/563433965.db2.gz ZQQUWHWNASOVKL-HXUWFJFHSA-N 0 3 322.452 3.573 50 0 DHAAHN C[C@@H](NC[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000002686918 563449131 /nfs/dbraw/zinc/44/91/31/563449131.db2.gz MEFYHBGGTGOIRY-KDOFPFPSSA-N 0 3 319.832 3.568 50 0 DHAAHN COc1ccccc1/C=C/CN(C)[C@H](C)Cc1cc(C)ccn1 ZINC000055060992 563471114 /nfs/dbraw/zinc/47/11/14/563471114.db2.gz FTCIOEHKIZUAQY-UGAXZCSASA-N 0 3 310.441 3.975 50 0 DHAAHN CC[C@H](C)N(Cc1ccc(-c2cc[nH]n2)o1)Cc1ccncc1 ZINC000055166953 563471593 /nfs/dbraw/zinc/47/15/93/563471593.db2.gz AOZFFAPGQSNPFO-AWEZNQCLSA-N 0 3 310.401 3.865 50 0 DHAAHN CCc1ccc(CN(CCN(C)C)Cc2ccc(C)s2)nc1 ZINC000055226440 563472834 /nfs/dbraw/zinc/47/28/34/563472834.db2.gz LCYQWWJVSJAMGA-UHFFFAOYSA-N 0 3 317.502 3.578 50 0 DHAAHN Cc1ccsc1CN1CCC(n2cc(CC(C)C)nn2)CC1 ZINC000055369283 563474567 /nfs/dbraw/zinc/47/45/67/563474567.db2.gz POBLFZYOZMFFCV-UHFFFAOYSA-N 0 3 318.490 3.684 50 0 DHAAHN CC[C@@H](C)N(Cc1ccc(NC(C)=O)cc1)Cc1cccnc1 ZINC000055404426 563475577 /nfs/dbraw/zinc/47/55/77/563475577.db2.gz AMMBNWUKKTYDQV-OAHLLOKOSA-N 0 3 311.429 3.841 50 0 DHAAHN Cc1ccsc1CN(CCN(C)C)Cc1sccc1C ZINC000055568765 563476301 /nfs/dbraw/zinc/47/63/01/563476301.db2.gz CCFDQDNXLOYPHB-UHFFFAOYSA-N 0 3 308.516 3.990 50 0 DHAAHN FC(F)(F)[C@H]1CCCn2c(CNC3CCCCCC3)nnc21 ZINC000089818911 563484478 /nfs/dbraw/zinc/48/44/78/563484478.db2.gz WJPJXKXVDLIUOF-LBPRGKRZSA-N 0 3 316.371 3.530 50 0 DHAAHN c1nc(CCN[C@H]2CC3(CCC3)Oc3ccccc32)cs1 ZINC000096480637 563484686 /nfs/dbraw/zinc/48/46/86/563484686.db2.gz RPNJOXYCUKRWKE-HNNXBMFYSA-N 0 3 300.427 3.722 50 0 DHAAHN Cc1nc(C)c(CN[C@H](C)C[C@@H](O)c2ccc(F)cc2)s1 ZINC000096486377 563485665 /nfs/dbraw/zinc/48/56/65/563485665.db2.gz ZATPWJOVCLIQBD-MEBBXXQBSA-N 0 3 308.422 3.501 50 0 DHAAHN CN1CCC(c2nccn2CCc2ccccc2Cl)CC1 ZINC000067674985 563488554 /nfs/dbraw/zinc/48/85/54/563488554.db2.gz KFVNYVPGUBKVMR-UHFFFAOYSA-N 0 3 303.837 3.588 50 0 DHAAHN CC(C)=CC(=O)NC[C@@H]1CCCN(Cc2ccc(C)c(C)c2)C1 ZINC000067872108 563493114 /nfs/dbraw/zinc/49/31/14/563493114.db2.gz ZQTVJNKCFJBLAV-IBGZPJMESA-N 0 3 314.473 3.598 50 0 DHAAHN Cc1nc(C2CCN(C(C)C)CC2)sc1Br ZINC000072343528 563503703 /nfs/dbraw/zinc/50/37/03/563503703.db2.gz FZQTUJIJNLAQSV-UHFFFAOYSA-N 0 3 303.269 3.802 50 0 DHAAHN CCOC(=O)C[C@@H]1CCCCN1Cc1ccnc2ccccc12 ZINC000077353897 563509340 /nfs/dbraw/zinc/50/93/40/563509340.db2.gz YAZYJBSXZNMFHI-INIZCTEOSA-N 0 3 312.413 3.543 50 0 DHAAHN O[C@@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000097243897 563538610 /nfs/dbraw/zinc/53/86/10/563538610.db2.gz FBBOGDYMCODYSV-LJQANCHMSA-N 0 3 311.425 3.612 50 0 DHAAHN Cc1cncnc1C1CCN(Cc2cc3ccccc3n2C)CC1 ZINC000097772976 563542582 /nfs/dbraw/zinc/54/25/82/563542582.db2.gz FWZJEAQZDXIOJR-UHFFFAOYSA-N 0 3 320.440 3.656 50 0 DHAAHN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCCCC1 ZINC000000463085 563630915 /nfs/dbraw/zinc/63/09/15/563630915.db2.gz CIIGDFNHZWGKAH-IBGZPJMESA-N 0 3 311.425 3.579 50 0 DHAAHN CCN1CCC[C@@H]1CNC(=O)c1oc2c(cccc2Cl)c1C ZINC000044571135 563684450 /nfs/dbraw/zinc/68/44/50/563684450.db2.gz XXLDMNFKSSJKEB-GFCCVEGCSA-N 0 3 320.820 3.609 50 0 DHAAHN Clc1cnccc1CN1CCC2(CNc3ccccc32)CC1 ZINC000216406002 563709733 /nfs/dbraw/zinc/70/97/33/563709733.db2.gz MQTINELEBBDRHM-UHFFFAOYSA-N 0 3 313.832 3.694 50 0 DHAAHN CC(=O)Nc1ccc(CN[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000030662027 563763608 /nfs/dbraw/zinc/76/36/08/563763608.db2.gz INLZZKNSPOOZFG-HUUCEWRRSA-N 0 3 314.351 3.856 50 0 DHAAHN CO[C@H](c1ccccc1F)[C@H](C)NCc1cc(F)cc(F)c1 ZINC000241121747 563776660 /nfs/dbraw/zinc/77/66/60/563776660.db2.gz JDQWVTNSQMTIOX-GTNSWQLSSA-N 0 3 309.331 3.970 50 0 DHAAHN CCN1CCC(NC(=O)N2CCCC3(CCCCC3)CC2)CC1 ZINC000242346863 563778439 /nfs/dbraw/zinc/77/84/39/563778439.db2.gz ZJTVACMZWMCLCA-UHFFFAOYSA-N 0 3 321.509 3.617 50 0 DHAAHN CC(=O)N1CCC(N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000034996000 563795454 /nfs/dbraw/zinc/79/54/54/563795454.db2.gz TYPSIPXFCMDRKB-JTQLQIEISA-N 0 3 315.244 3.655 50 0 DHAAHN Cc1ccccc1[C@](O)(Cc1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000001259765 563809947 /nfs/dbraw/zinc/80/99/47/563809947.db2.gz FPDWKSDUHWWBCL-FGZHOGPDSA-N 0 3 321.464 3.767 50 0 DHAAHN COc1ccccc1-c1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000191157454 563871424 /nfs/dbraw/zinc/87/14/24/563871424.db2.gz CMZACAIKCXPTHJ-UPJWGTAASA-N 0 3 301.390 3.679 50 0 DHAAHN COc1ccccc1-c1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000191157418 563871433 /nfs/dbraw/zinc/87/14/33/563871433.db2.gz CMZACAIKCXPTHJ-XQQFMLRXSA-N 0 3 301.390 3.679 50 0 DHAAHN CCn1cnnc1[C@@H]1CCCN([C@@H](C)c2cccc(Cl)c2)C1 ZINC000089310054 563884814 /nfs/dbraw/zinc/88/48/14/563884814.db2.gz WJDABNWSGRIIQQ-DZGCQCFKSA-N 0 3 318.852 3.892 50 0 DHAAHN CC(C)CCN(Cc1ccsc1)C[C@H](O)COCC(C)C ZINC000036099603 563893855 /nfs/dbraw/zinc/89/38/55/563893855.db2.gz YRUQNNXKFLLCML-KRWDZBQOSA-N 0 3 313.507 3.630 50 0 DHAAHN CCCN(Cc1cccs1)C[C@@H](O)COCc1ccccc1 ZINC000036096617 563893510 /nfs/dbraw/zinc/89/35/10/563893510.db2.gz YXEISEMAYRVOJO-QGZVFWFLSA-N 0 3 319.470 3.538 50 0 DHAAHN C[C@H](NC(=O)CN1CCC[C@@H](C)C1)c1cccc2ccccc21 ZINC000007340726 563905513 /nfs/dbraw/zinc/90/55/13/563905513.db2.gz PMKGCAPOHFZFLU-CVEARBPZSA-N 0 3 310.441 3.749 50 0 DHAAHN O=C(Nc1ccccc1)c1ccccc1OCCN1CCCCC1 ZINC000170594741 563906928 /nfs/dbraw/zinc/90/69/28/563906928.db2.gz LUQQZIILVCLZHS-UHFFFAOYSA-N 0 3 324.424 3.804 50 0 DHAAHN CN(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCC1 ZINC000170619319 563908587 /nfs/dbraw/zinc/90/85/87/563908587.db2.gz HVAIDZXGZSMRFW-UHFFFAOYSA-N 0 3 314.401 3.814 50 0 DHAAHN Clc1cc(CNCc2cccs2)cc2c1OCCCO2 ZINC000037301274 563908609 /nfs/dbraw/zinc/90/86/09/563908609.db2.gz UUVXEPJMWGBBOJ-UHFFFAOYSA-N 0 3 309.818 3.853 50 0 DHAAHN CC[C@H](NCc1cccc2c[nH]nc21)c1ccc2c(c1)OCCO2 ZINC000089947852 563912519 /nfs/dbraw/zinc/91/25/19/563912519.db2.gz WVFAOOIHEKPPBM-INIZCTEOSA-N 0 3 323.396 3.575 50 0 DHAAHN Fc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1 ZINC000064794014 563927477 /nfs/dbraw/zinc/92/74/77/563927477.db2.gz GWZXNEGOWSQTSR-UHFFFAOYSA-N 0 3 315.388 3.748 50 0 DHAAHN C[C@@H](NCc1ccccc1C(F)(F)F)[C@H](O)c1ccccc1 ZINC000020312716 563930900 /nfs/dbraw/zinc/93/09/00/563930900.db2.gz HTMPOPZDCKLWDK-WBMJQRKESA-N 0 3 309.331 3.917 50 0 DHAAHN CCn1nc(C)c([C@H](C)NCc2ccc(-n3cccn3)cc2)c1C ZINC000095420348 563931286 /nfs/dbraw/zinc/93/12/86/563931286.db2.gz XBHCFFVUNZWADV-AWEZNQCLSA-N 0 3 323.444 3.556 50 0 DHAAHN CC(C)C[C@H](NC[C@@H](O)c1ccccc1F)c1ccccn1 ZINC000095967386 563932962 /nfs/dbraw/zinc/93/29/62/563932962.db2.gz POFNULPCOJSEBD-ZWKOTPCHSA-N 0 3 302.393 3.631 50 0 DHAAHN C[C@]1(CC(=O)Nc2ccccc2)NCCc2c3ccccc3[nH]c21 ZINC000096028086 563935371 /nfs/dbraw/zinc/93/53/71/563935371.db2.gz OVVJGBCTEJFQJK-HXUWFJFHSA-N 0 3 319.408 3.558 50 0 DHAAHN Cc1cc(C)c(OC[C@@H](O)CN[C@H](C)c2ccccc2)c(C)c1 ZINC000003194188 563942850 /nfs/dbraw/zinc/94/28/50/563942850.db2.gz CITKQVBWORSVBS-MJGOQNOKSA-N 0 3 313.441 3.702 50 0 DHAAHN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCCC[C@@H]1C ZINC000008717518 563950142 /nfs/dbraw/zinc/95/01/42/563950142.db2.gz VDIXKLWYADCFJZ-ZDUSSCGKSA-N 0 3 313.445 3.689 50 0 DHAAHN O=C(Nc1ccccc1[O-])c1ccc(C[NH+]2CCCCC2)cc1 ZINC000008723828 563950202 /nfs/dbraw/zinc/95/02/02/563950202.db2.gz QPCRISBWHMZTGN-UHFFFAOYSA-N 0 3 310.397 3.630 50 0 DHAAHN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000067813685 563950277 /nfs/dbraw/zinc/95/02/77/563950277.db2.gz OZBILATVXWOPSI-VQTJNVASSA-N 0 3 320.436 3.568 50 0 DHAAHN O=C(NOCc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000008993935 563951821 /nfs/dbraw/zinc/95/18/21/563951821.db2.gz SIYLJVNALDVJFM-UHFFFAOYSA-N 0 3 324.424 3.534 50 0 DHAAHN C[C@@H](c1cccc(F)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000069324583 563952285 /nfs/dbraw/zinc/95/22/85/563952285.db2.gz KYIQRMMOZPZMET-AWEZNQCLSA-N 0 3 324.403 3.809 50 0 DHAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000010045335 563958176 /nfs/dbraw/zinc/95/81/76/563958176.db2.gz AVCYXRKRGKMSCJ-MJGOQNOKSA-N 0 3 324.399 3.582 50 0 DHAAHN CN(C)[C@H](CNC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000010328164 563958479 /nfs/dbraw/zinc/95/84/79/563958479.db2.gz BUADKQDGOCCPMJ-HXUWFJFHSA-N 0 3 318.420 3.873 50 0 DHAAHN CC[C@@H](c1ccccn1)N(C)Cc1ccc(OC)c(COC)c1 ZINC000952989603 1032686582 /nfs/dbraw/zinc/68/65/82/1032686582.db2.gz RGMOYFPCIMMRJO-SFHVURJKSA-N 0 3 314.429 3.820 50 0 DHAAHN Cc1ccnc(C2CCN(Cc3cnc4ccccc4c3)CC2)n1 ZINC000371888172 1018859822 /nfs/dbraw/zinc/85/98/22/1018859822.db2.gz MXPVVSKDMKSQBK-UHFFFAOYSA-N 0 3 318.424 3.713 50 0 DHAAHN c1ccc(N[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000011938309 1019583393 /nfs/dbraw/zinc/58/33/93/1019583393.db2.gz GJXJVOSDBNDJTB-SFHVURJKSA-N 0 3 324.424 3.534 50 0 DHAAHN Clc1ccc(-c2noc(CN3C[C@H]4C[C@@H]3CCC4)n2)cc1 ZINC000012432949 1019945538 /nfs/dbraw/zinc/94/55/38/1019945538.db2.gz DIRGTPYMRBRJFW-RISCZKNCSA-N 0 3 303.793 3.764 50 0 DHAAHN Cn1ccc2cc(CN3CCC(Oc4ccncc4)CC3)ccc21 ZINC000825640381 1020666849 /nfs/dbraw/zinc/66/68/49/1020666849.db2.gz NBPKVHYIVKDBLQ-UHFFFAOYSA-N 0 3 321.424 3.617 50 0 DHAAHN O=C(CCc1cccnc1)Nc1ccccc1CN1CCCCC1 ZINC000828075044 1020810785 /nfs/dbraw/zinc/81/07/85/1020810785.db2.gz CCLDFJJMSXDBMW-UHFFFAOYSA-N 0 3 323.440 3.639 50 0 DHAAHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1ccc(F)c(F)c1 ZINC000106789064 1023381935 /nfs/dbraw/zinc/38/19/35/1023381935.db2.gz BZEBIVQVTUXHKV-OCBCSQNSSA-N 0 3 322.399 3.501 50 0 DHAAHN C[C@@H](NCc1nc(Cl)cs1)[C@@H](c1ccccc1)N(C)C ZINC000585117200 1029775461 /nfs/dbraw/zinc/77/54/61/1029775461.db2.gz URNSCCQITJBQFG-ABAIWWIYSA-N 0 3 309.866 3.578 50 0 DHAAHN COc1cc(C)c(NC(=O)N(CC(F)F)C(C)C)cc1OC ZINC000095426812 185361887 /nfs/dbraw/zinc/36/18/87/185361887.db2.gz XXZNZQYBFCPEQY-UHFFFAOYSA-N 0 3 316.348 3.520 50 0 DHAAHN CN1CCC(Oc2ccc(NC(=O)C3CCCCC3)cc2)CC1 ZINC000072139185 191047580 /nfs/dbraw/zinc/04/75/80/191047580.db2.gz FRCWKSNWLYDUPZ-UHFFFAOYSA-N 0 3 316.445 3.678 50 0 DHAAHN c1cn(-c2ccc(CN3CCC[C@@H]3c3ccccn3)cc2)cn1 ZINC000072154500 191059809 /nfs/dbraw/zinc/05/98/09/191059809.db2.gz ZARGOOIBKLBSON-LJQANCHMSA-N 0 3 304.397 3.604 50 0 DHAAHN Cc1cc(-c2nnc(CN(C)[C@H]3CCCC[C@H]3C)o2)c(C)o1 ZINC000253370193 186300615 /nfs/dbraw/zinc/30/06/15/186300615.db2.gz NPLHIJKKNIZWBC-ABAIWWIYSA-N 0 3 303.406 3.957 50 0 DHAAHN O=C(CCc1ccccc1)[C@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000072411933 191155351 /nfs/dbraw/zinc/15/53/51/191155351.db2.gz SOAYATPGMFHHFX-IBGZPJMESA-N 0 3 323.436 3.806 50 0 DHAAHN CCC(CC)(CC)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000072437294 191165648 /nfs/dbraw/zinc/16/56/48/191165648.db2.gz YQWXLZTTWIHCPW-UHFFFAOYSA-N 0 3 316.489 3.984 50 0 DHAAHN CCCCNC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000004680520 181136198 /nfs/dbraw/zinc/13/61/98/181136198.db2.gz YHDWMQZZXSGOKY-UHFFFAOYSA-N 0 3 316.489 3.938 50 0 DHAAHN COCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000004840966 181160434 /nfs/dbraw/zinc/16/04/34/181160434.db2.gz WGOKOPRYPYQGAG-UHFFFAOYSA-N 0 3 300.185 3.989 50 0 DHAAHN CC[C@H](CO)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000004942900 181176826 /nfs/dbraw/zinc/17/68/26/181176826.db2.gz QAEJJZXCARWVSB-CYBMUJFWSA-N 0 3 324.218 3.570 50 0 DHAAHN Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(C)c(C)c3)n[nH]2)c1 ZINC000005462680 181246359 /nfs/dbraw/zinc/24/63/59/181246359.db2.gz QVHGIOVTJBGXJG-UHFFFAOYSA-N 0 3 321.380 3.960 50 0 DHAAHN CCN(Cc1ccccc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000005686341 181272210 /nfs/dbraw/zinc/27/22/10/181272210.db2.gz GFMJPIPKRNEOJI-UHFFFAOYSA-N 0 3 315.413 3.735 50 0 DHAAHN Cc1ccccc1C(O)(c1ccccc1C)[C@H]1CN2CCC1CC2 ZINC000005782839 181283365 /nfs/dbraw/zinc/28/33/65/181283365.db2.gz OXDOWGVJMITMJL-NRFANRHFSA-N 0 3 321.464 3.881 50 0 in-man DHAAHN C[C@H](CN1CCC(N2CCCC2=O)CC1)c1cccc(Cl)c1 ZINC000187179471 200073117 /nfs/dbraw/zinc/07/31/17/200073117.db2.gz ASAVMGWYHDAVAO-CQSZACIVSA-N 0 3 320.864 3.530 50 0 DHAAHN C[C@@H](NCCc1nccn1Cc1ccccc1)c1cccc(O)c1 ZINC000194844121 201298913 /nfs/dbraw/zinc/29/89/13/201298913.db2.gz MZUOWQLXOFRILY-MRXNPFEDSA-N 0 3 321.424 3.530 50 0 DHAAHN C[C@@H]1CCCCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000006626660 181362331 /nfs/dbraw/zinc/36/23/31/181362331.db2.gz SZXXXOBSIGXURT-YPMHNXCESA-N 0 3 318.244 3.608 50 0 DHAAHN Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1C ZINC000006729866 181378426 /nfs/dbraw/zinc/37/84/26/181378426.db2.gz VQNWPLYRMSGEOU-UHFFFAOYSA-N 0 3 315.461 3.786 50 0 DHAAHN Cc1ccc(Cn2cc(-c3ccc([C@@H](C)N(C)C)cc3)nn2)cc1 ZINC000092038613 193146499 /nfs/dbraw/zinc/14/64/99/193146499.db2.gz MRGGWJCQUFDSAW-MRXNPFEDSA-N 0 3 320.440 3.924 50 0 DHAAHN C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000015583737 182008413 /nfs/dbraw/zinc/00/84/13/182008413.db2.gz TWSKQCXDZOILGU-PIGZYNQJSA-N 0 3 316.351 3.569 50 0 DHAAHN C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000016183482 182036053 /nfs/dbraw/zinc/03/60/53/182036053.db2.gz OOUWLKQIFUITQD-DGCLKSJQSA-N 0 3 318.244 3.608 50 0 DHAAHN Fc1ccccc1COc1cccc(CNC[C@H]2CCCO2)c1 ZINC000016450051 182045140 /nfs/dbraw/zinc/04/51/40/182045140.db2.gz LEFVXSXDMHMHMT-GOSISDBHSA-N 0 3 315.388 3.673 50 0 DHAAHN O=C(CCC1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000016605645 182052919 /nfs/dbraw/zinc/05/29/19/182052919.db2.gz AUGWKOKCFRCEIO-UHFFFAOYSA-N 0 3 314.473 3.738 50 0 DHAAHN Clc1ccccc1-c1ccc(CN[C@H]2CN3CCC2CC3)o1 ZINC000020477448 182221360 /nfs/dbraw/zinc/22/13/60/182221360.db2.gz SMPICGBYIZJAQK-KRWDZBQOSA-N 0 3 316.832 3.784 50 0 DHAAHN CN(C)Cc1ccccc1NC(=O)CCn1ccc2ccccc21 ZINC000024811700 182391347 /nfs/dbraw/zinc/39/13/47/182391347.db2.gz KRHXUURXDVUJOE-UHFFFAOYSA-N 0 3 321.424 3.732 50 0 DHAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(F)c(F)c1 ZINC000040086939 183031921 /nfs/dbraw/zinc/03/19/21/183031921.db2.gz ZKXLUHBGXYXIQH-UHFFFAOYSA-N 0 3 316.351 3.813 50 0 DHAAHN C[C@@H](NC(=O)CN1CCC[C@@H](C)C1)c1cccc2ccccc21 ZINC000104678726 194025014 /nfs/dbraw/zinc/02/50/14/194025014.db2.gz PMKGCAPOHFZFLU-HZPDHXFCSA-N 0 3 310.441 3.749 50 0 DHAAHN CCCCNC(=O)C1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000056284061 184009252 /nfs/dbraw/zinc/00/92/52/184009252.db2.gz PZFSHYAAXYIAND-AWEZNQCLSA-N 0 3 306.425 3.515 50 0 DHAAHN CC(C)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000057627017 184042493 /nfs/dbraw/zinc/04/24/93/184042493.db2.gz RCQJQJVQUQTCPX-UHFFFAOYSA-N 0 3 321.774 3.674 50 0 DHAAHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)Nc1ccccc1 ZINC000058181866 184085635 /nfs/dbraw/zinc/08/56/35/184085635.db2.gz RTSREYAJIPRGGX-GOSISDBHSA-N 0 3 323.440 3.720 50 0 DHAAHN O=C(CCNCc1ccc(Cl)c(Cl)c1)Nc1cccnc1 ZINC000065527606 184360470 /nfs/dbraw/zinc/36/04/70/184360470.db2.gz ZCXZWOVSMLSKTO-UHFFFAOYSA-N 0 3 324.211 3.507 50 0 DHAAHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000157237254 197172842 /nfs/dbraw/zinc/17/28/42/197172842.db2.gz XMPSKZSAWMRXOM-GDBMZVCRSA-N 0 3 318.461 3.525 50 0 DHAAHN c1ncn(C2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000374782273 257235214 /nfs/dbraw/zinc/23/52/14/257235214.db2.gz RRVIXNPAAUBMMK-UHFFFAOYSA-N 0 3 318.424 3.705 50 0 DHAAHN CCCNC(=O)c1cccnc1-c1ccc([C@H](C)N(C)C)cc1 ZINC000426478724 257249319 /nfs/dbraw/zinc/24/93/19/257249319.db2.gz JTGFHCUHUVIDFD-AWEZNQCLSA-N 0 3 311.429 3.511 50 0 DHAAHN CCN(Cc1nc(-c2ccccc2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289800655 334167861 /nfs/dbraw/zinc/16/78/61/334167861.db2.gz MWKICJIIPRIDCB-HNNXBMFYSA-N 0 3 315.417 3.516 50 0 DHAAHN C[C@H](c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[NH+]1CCCC1 ZINC000534586319 334292159 /nfs/dbraw/zinc/29/21/59/334292159.db2.gz LWDIMWQTZJNWAS-CQSZACIVSA-N 0 3 319.412 3.691 50 0 DHAAHN C[C@H](c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[NH+]1CCCC1 ZINC000534586319 334292162 /nfs/dbraw/zinc/29/21/62/334292162.db2.gz LWDIMWQTZJNWAS-CQSZACIVSA-N 0 3 319.412 3.691 50 0 DHAAHN CC[C@H](NC1CCN(Cc2ccco2)CC1)c1ncccc1C ZINC000534670121 334320018 /nfs/dbraw/zinc/32/00/18/334320018.db2.gz LINDCRAPRZJWQS-SFHVURJKSA-N 0 3 313.445 3.688 50 0 DHAAHN C/C(=C\c1ccccc1)CN1CCC(N2CCCCC2=O)CC1 ZINC000180002203 518444058 /nfs/dbraw/zinc/44/40/58/518444058.db2.gz OCZSAJGTEHHREB-BMRADRMJSA-N 0 3 312.457 3.567 50 0 DHAAHN CN(C)Cc1ccnc(NCc2ccc(OCC3CC3)cc2)c1 ZINC000191514814 521935202 /nfs/dbraw/zinc/93/52/02/521935202.db2.gz KLGMYWOLPKSMKN-UHFFFAOYSA-N 0 3 311.429 3.544 50 0 DHAAHN CCc1nccn1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000124652819 522593252 /nfs/dbraw/zinc/59/32/52/522593252.db2.gz FTRUTFPPIURCCY-GOSISDBHSA-N 0 3 320.440 3.831 50 0 DHAAHN CC(C)[C@@H](NCc1ccn(C)c(=O)c1)c1ccc(Cl)cc1 ZINC000048374919 563698317 /nfs/dbraw/zinc/69/83/17/563698317.db2.gz DJYSXOGOMLJHKB-QGZVFWFLSA-N 0 3 304.821 3.526 50 0 DHAAHN C[C@H](c1ccon1)N(C)Cc1ccc(CN2CCCC2)s1 ZINC000215849067 563707337 /nfs/dbraw/zinc/70/73/37/563707337.db2.gz RCZJWDHGAZQACK-CYBMUJFWSA-N 0 3 305.447 3.525 50 0 DHAAHN COc1cc([C@H](C)N[C@H](C)[C@H]2CCCO2)ccc1OC(F)F ZINC000246836364 563230229 /nfs/dbraw/zinc/23/02/29/563230229.db2.gz BYZNMDOTPVDFBT-DMDPSCGWSA-N 0 3 315.360 3.515 50 0 DHAAHN CCC1CCC(N2CCN(c3ccccc3OC)CC2)CC1 ZINC000000276903 563235470 /nfs/dbraw/zinc/23/54/70/563235470.db2.gz HSKFNMLURMXZGZ-UHFFFAOYSA-N 0 3 302.462 3.786 50 0 DHAAHN CCOC(=O)[C@H]1CCCN(Cc2cncc(-c3ccccc3)c2)C1 ZINC000034670273 563311245 /nfs/dbraw/zinc/31/12/45/563311245.db2.gz PCLRLNHWIHZLOW-SFHVURJKSA-N 0 3 324.424 3.524 50 0 DHAAHN CC[C@@H](CO)NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008326379 563346199 /nfs/dbraw/zinc/34/61/99/563346199.db2.gz BUPHVLVYPWTSRP-KRWDZBQOSA-N 0 3 319.832 3.780 50 0 DHAAHN Cc1cccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000010448287 563356594 /nfs/dbraw/zinc/35/65/94/563356594.db2.gz BOKITFUAOOAZLJ-UHFFFAOYSA-N 0 3 322.452 3.911 50 0 DHAAHN C[C@@H]1CCCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000010541733 563357726 /nfs/dbraw/zinc/35/77/26/563357726.db2.gz KEVKJVFCLJSKBX-MRXNPFEDSA-N 0 3 300.446 3.545 50 0 DHAAHN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000012057680 563360857 /nfs/dbraw/zinc/36/08/57/563360857.db2.gz UUJPYPPQAVYTHG-INIZCTEOSA-N 0 3 301.430 3.921 50 0 DHAAHN Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC1CCC1 ZINC000012112133 563361920 /nfs/dbraw/zinc/36/19/20/563361920.db2.gz KUZRZCARZINRCZ-AWEZNQCLSA-N 0 3 302.466 3.759 50 0 DHAAHN CN(C)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000032755351 563391236 /nfs/dbraw/zinc/39/12/36/563391236.db2.gz GSFSTPBMDAZBRL-UXHICEINSA-N 0 3 322.452 3.526 50 0 DHAAHN CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)N(C)C)C1(C)C ZINC000032850699 563402867 /nfs/dbraw/zinc/40/28/67/563402867.db2.gz SWGZPHVUDRDBMM-FGTMMUONSA-N 0 3 314.473 3.644 50 0 DHAAHN O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccco1 ZINC000027989322 563429965 /nfs/dbraw/zinc/42/99/65/563429965.db2.gz QEZLFSBTYMWHTC-AWEZNQCLSA-N 0 3 318.442 3.688 50 0 DHAAHN Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)cc1 ZINC000028292032 563431341 /nfs/dbraw/zinc/43/13/41/563431341.db2.gz FBGONEOAMHOCKW-HXUWFJFHSA-N 0 3 322.452 3.952 50 0 DHAAHN CCCc1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000000568121 563448056 /nfs/dbraw/zinc/44/80/56/563448056.db2.gz BHCBMINIBNBATN-APWZRJJASA-N 0 3 313.441 3.730 50 0 DHAAHN CCOc1ccccc1N1CCN(CC2CCCCC2)CC1 ZINC000023281295 563449035 /nfs/dbraw/zinc/44/90/35/563449035.db2.gz VZFFGMNHLVGZQP-UHFFFAOYSA-N 0 3 302.462 3.788 50 0 DHAAHN COc1cc(CN[C@@H]2CCCc3ccccc32)cc(OC)c1O ZINC000002883533 563449828 /nfs/dbraw/zinc/44/98/28/563449828.db2.gz ALTQUELLKAAKGO-MRXNPFEDSA-N 0 3 313.397 3.577 50 0 DHAAHN CC[C@H](c1ccc(F)cc1)N1CCC(c2noc(C)n2)CC1 ZINC000071915656 563470004 /nfs/dbraw/zinc/47/00/04/563470004.db2.gz BIQZKVOTQWVUBS-MRXNPFEDSA-N 0 3 303.381 3.848 50 0 DHAAHN CC(C)[C@@H](C)N(Cc1ccco1)Cc1ccccc1OCCO ZINC000055054154 563471016 /nfs/dbraw/zinc/47/10/16/563471016.db2.gz VWXMUAOGVDTOGB-MRXNPFEDSA-N 0 3 317.429 3.697 50 0 DHAAHN Cc1ccnc(C[C@H](C)N(C)Cc2ccc(C(F)(F)F)nc2)c1 ZINC000055100332 563471052 /nfs/dbraw/zinc/47/10/52/563471052.db2.gz FWYNTLHCDOAHPV-ZDUSSCGKSA-N 0 3 323.362 3.867 50 0 DHAAHN C(=C/c1ccccc1)\CN1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055152892 563471948 /nfs/dbraw/zinc/47/19/48/563471948.db2.gz CRBMHZVXYMQFND-QPJJXVBHSA-N 0 3 308.429 3.506 50 0 DHAAHN CC[C@@H](C)c1cc(C(=O)Nc2ccc(CN(C)C)cc2)on1 ZINC000096423573 563481741 /nfs/dbraw/zinc/48/17/41/563481741.db2.gz FGEGUZKSSHQODX-GFCCVEGCSA-N 0 3 301.390 3.502 50 0 DHAAHN CCO[C@@H](C)c1ccc(-c2cccc(N3CCNCC3)c2)cc1 ZINC000067908997 563492848 /nfs/dbraw/zinc/49/28/48/563492848.db2.gz WGYLQEHJTRRXEM-INIZCTEOSA-N 0 3 310.441 3.861 50 0 DHAAHN CCOC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071415522 563500000 /nfs/dbraw/zinc/50/00/00/563500000.db2.gz IWJSJRWFKKANCD-KRWDZBQOSA-N 0 3 322.424 3.515 50 0 DHAAHN COC[C@@H]1CCCCN1Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000097609976 563540204 /nfs/dbraw/zinc/54/02/04/563540204.db2.gz KETZQSJOYPLHRL-KRWDZBQOSA-N 0 3 319.836 3.527 50 0 DHAAHN CC(C)(O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000097757867 563542495 /nfs/dbraw/zinc/54/24/95/563542495.db2.gz BUTXOXVVIDDAJH-CYBMUJFWSA-N 0 3 319.342 3.827 50 0 DHAAHN COc1ccc(C(=O)[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000000346094 563589417 /nfs/dbraw/zinc/58/94/17/563589417.db2.gz AUKJZULEGLNIQI-IBGZPJMESA-N 0 3 309.409 3.758 50 0 DHAAHN Cc1noc(CCCN(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000107148414 563682775 /nfs/dbraw/zinc/68/27/75/563682775.db2.gz WHNBNJYPCKYWTM-MLGOLLRUSA-N 0 3 315.417 3.692 50 0 DHAAHN COc1cc(CNCc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000048301165 563695806 /nfs/dbraw/zinc/69/58/06/563695806.db2.gz RAEZFGZCGQINOC-UHFFFAOYSA-N 0 3 315.413 3.619 50 0 DHAAHN Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C)c2ccccc2C)cc1 ZINC000048374095 563698005 /nfs/dbraw/zinc/69/80/05/563698005.db2.gz HKEXSRJQMGAAOF-IRXDYDNUSA-N 0 3 310.441 3.659 50 0 DHAAHN Cc1ccc(CNCc2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000048784784 563699696 /nfs/dbraw/zinc/69/96/96/563699696.db2.gz UDUAXXRXEYTFLY-UHFFFAOYSA-N 0 3 311.429 3.815 50 0 DHAAHN Cc1n[nH]c(C)c1CCN(C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000215181434 563704339 /nfs/dbraw/zinc/70/43/39/563704339.db2.gz BLALFQKWWRWGGB-KRWDZBQOSA-N 0 3 317.433 3.536 50 0 DHAAHN Cc1c2cc(C)ccc2oc1C[N@@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000216146784 563708532 /nfs/dbraw/zinc/70/85/32/563708532.db2.gz NSXVJKFYEFIKHC-AWEZNQCLSA-N 0 3 310.401 3.547 50 0 DHAAHN Cc1c2cc(C)ccc2oc1C[N@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000216146784 563708534 /nfs/dbraw/zinc/70/85/34/563708534.db2.gz NSXVJKFYEFIKHC-AWEZNQCLSA-N 0 3 310.401 3.547 50 0 DHAAHN CCN(CC)CCOC(=O)[C@@H](c1cccs1)[C@@H]1C=CCC1 ZINC000002039595 563798500 /nfs/dbraw/zinc/79/85/00/563798500.db2.gz PAQHBGYZMGCRMG-GDBMZVCRSA-N 0 3 307.459 3.683 50 0 DHAAHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000012674143 563809023 /nfs/dbraw/zinc/80/90/23/563809023.db2.gz SUJAQCINCVJIIU-FZKQIMNGSA-N 0 3 312.388 3.894 50 0 DHAAHN CC[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccc(F)cc1F ZINC000084734134 563830599 /nfs/dbraw/zinc/83/05/99/563830599.db2.gz BJIIIOCIGYJTQY-BLLLJJGKSA-N 0 3 305.372 3.780 50 0 DHAAHN C[C@@H]1CCC(C)(C)N1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000662020575 563830704 /nfs/dbraw/zinc/83/07/04/563830704.db2.gz TWVMXSMKWPBYHJ-MRXNPFEDSA-N 0 3 314.473 3.688 50 0 DHAAHN Cc1ccc(Cl)c(OCCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020167165 563843158 /nfs/dbraw/zinc/84/31/58/563843158.db2.gz MOVOREHDXHWCSR-HUUCEWRRSA-N 0 3 311.853 3.917 50 0 DHAAHN Cc1ccc(Cl)c(OCCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020167168 563843203 /nfs/dbraw/zinc/84/32/03/563843203.db2.gz MOVOREHDXHWCSR-GJZGRUSLSA-N 0 3 311.853 3.917 50 0 DHAAHN OCC1CCN(Cc2cccc(NCc3ccccc3)c2)CC1 ZINC000086258393 563845042 /nfs/dbraw/zinc/84/50/42/563845042.db2.gz QDKVETJYBOOJHM-UHFFFAOYSA-N 0 3 310.441 3.503 50 0 DHAAHN CC(C)[C@H](CNCc1cnn(C(C)(C)C)c1)Nc1ccccc1 ZINC000118449296 563869477 /nfs/dbraw/zinc/86/94/77/563869477.db2.gz OWPQJXWAMDZQOM-SFHVURJKSA-N 0 3 314.477 3.864 50 0 DHAAHN Cc1ccc(C)c(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000075572693 563884888 /nfs/dbraw/zinc/88/48/88/563884888.db2.gz FRDHPEGCYCLAQT-UHFFFAOYSA-N 0 3 318.461 3.746 50 0 DHAAHN CC[C@H](C)N(Cc1ccsc1)C[C@H](O)COc1ccccc1 ZINC000036031849 563892301 /nfs/dbraw/zinc/89/23/01/563892301.db2.gz MAPZNZMWFKTVOB-RDJZCZTQSA-N 0 3 319.470 3.789 50 0 DHAAHN CCC[C@H](O)CN(Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036098269 563893081 /nfs/dbraw/zinc/89/30/81/563893081.db2.gz PLTVHDZGHPNAED-IBGZPJMESA-N 0 3 313.441 3.858 50 0 DHAAHN CCCN(Cc1ccsc1)C[C@H](O)COc1ccccc1C ZINC000036099481 563893550 /nfs/dbraw/zinc/89/35/50/563893550.db2.gz RWEXBWFUMRXBGL-KRWDZBQOSA-N 0 3 319.470 3.708 50 0 DHAAHN C[C@H](NC(=O)C1=CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000064817931 563894164 /nfs/dbraw/zinc/89/41/64/563894164.db2.gz NMJTZMLKEJUVRV-KRWDZBQOSA-N 0 3 320.436 3.696 50 0 DHAAHN O=C(NC1CCCCCC1)C1=CCN(Cc2ccccc2)CC1 ZINC000064817936 563894249 /nfs/dbraw/zinc/89/42/49/563894249.db2.gz KYBULRRBJGIQJV-UHFFFAOYSA-N 0 3 312.457 3.658 50 0 DHAAHN C[C@H](NCC[C@H](C)[S@](C)=O)c1cc2cc(Cl)ccc2o1 ZINC000170065680 563903632 /nfs/dbraw/zinc/90/36/32/563903632.db2.gz RZYBPQYEYUABPM-MKXJDEKUSA-N 0 3 313.850 3.894 50 0 DHAAHN CC(C)(C)[C@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000054397200 563912971 /nfs/dbraw/zinc/91/29/71/563912971.db2.gz WETPLCDCMODJGR-LJQANCHMSA-N 0 3 321.424 3.572 50 0 DHAAHN CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000037619325 563919267 /nfs/dbraw/zinc/91/92/67/563919267.db2.gz OSLLVFGCOKJNNK-TVQRCGJNSA-N 0 3 303.233 3.688 50 0 DHAAHN Fc1cccc(COc2ccc(CNC[C@H]3CCCO3)cc2)c1 ZINC000139286823 563924325 /nfs/dbraw/zinc/92/43/25/563924325.db2.gz OVCYRHBRFZBOLV-LJQANCHMSA-N 0 3 315.388 3.673 50 0 DHAAHN Cc1ccccc1[C@H]1CCCN1C(=O)C[C@@H](N)c1ccccc1 ZINC000225444112 563928191 /nfs/dbraw/zinc/92/81/91/563928191.db2.gz WEABRRZHMVYCHS-RTBURBONSA-N 0 3 308.425 3.749 50 0 DHAAHN C[C@H](NCc1ccccc1C(F)(F)F)[C@H](O)c1ccccc1 ZINC000020312721 563930889 /nfs/dbraw/zinc/93/08/89/563930889.db2.gz HTMPOPZDCKLWDK-LRDDRELGSA-N 0 3 309.331 3.917 50 0 DHAAHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Nc1ccc(Cl)cc1 ZINC000002468606 563938026 /nfs/dbraw/zinc/93/80/26/563938026.db2.gz NRQJUWUODUFPCL-BETUJISGSA-N 0 3 309.841 3.724 50 0 DHAAHN CN(Cc1cccc2cccnc21)C1CSCCSC1 ZINC000670441965 563943859 /nfs/dbraw/zinc/94/38/59/563943859.db2.gz MNMNKIKBTDBQMS-UHFFFAOYSA-N 0 3 304.484 3.515 50 0 DHAAHN Cc1ccccc1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000069530626 563953326 /nfs/dbraw/zinc/95/33/26/563953326.db2.gz CEASSICATQQQFQ-UHFFFAOYSA-N 0 3 323.440 3.753 50 0 DHAAHN CCC[C@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000069670228 563954081 /nfs/dbraw/zinc/95/40/81/563954081.db2.gz IAUJYJZCZLNYLC-AWEZNQCLSA-N 0 3 308.491 3.513 50 0 DHAAHN CN(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000010017722 563958199 /nfs/dbraw/zinc/95/81/99/563958199.db2.gz SHJGRJGIHMCXBW-INIZCTEOSA-N 0 3 317.820 3.764 50 0 DHAAHN c1ccc2c(c1)CCCC[C@H]2NCc1cnc(N2CCCC2)nc1 ZINC000078394270 563960963 /nfs/dbraw/zinc/96/09/63/563960963.db2.gz SGVVTJJNGRCGSU-LJQANCHMSA-N 0 3 322.456 3.634 50 0 DHAAHN COc1ccc(CNCCc2ccc(Cl)cc2)c(OC)c1 ZINC000002738520 568414154 /nfs/dbraw/zinc/41/41/54/568414154.db2.gz RMCYHCZSSFHTNV-UHFFFAOYSA-N 0 3 305.805 3.690 50 0 DHAAHN Cc1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1Cl ZINC000084183011 568417840 /nfs/dbraw/zinc/41/78/40/568417840.db2.gz SHFNSQHTHHWPEC-XJKSGUPXSA-N 0 3 321.852 3.596 50 0 DHAAHN Cc1ccc(CN[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000089633231 568420300 /nfs/dbraw/zinc/42/03/00/568420300.db2.gz AOCYPHLCTCQHHF-QZTJIDSGSA-N 0 3 324.468 3.611 50 0 DHAAHN