smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCN2)n1 ZINC000256054257 1019706894 /nfs/dbraw/zinc/70/68/94/1019706894.db2.gz VPYMCSCAYLSONQ-CYBMUJFWSA-N 0 3 321.808 3.993 40 0 DHABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(Cl)c1Cl)C(C)C ZINC000079421039 185170659 /nfs/dbraw/zinc/17/06/59/185170659.db2.gz GSOVXDQQHZCTFD-AWEZNQCLSA-N 0 3 317.260 3.714 40 0 DHABHN CN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358371 191130563 /nfs/dbraw/zinc/13/05/63/191130563.db2.gz AIOIUVPPLNEVHV-CYBMUJFWSA-N 0 3 321.346 3.972 40 0 DHABHN CCOC(=O)[C@@H]1CN[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 ZINC000003845406 181048559 /nfs/dbraw/zinc/04/85/59/181048559.db2.gz VRGSYPCBWQRFQZ-GUDVDZBRSA-N 0 3 309.409 3.684 40 0 DHABHN CN(C)CCOC1=Nc2ccccc2O/C1=C\c1ccccc1 ZINC000005492938 181249471 /nfs/dbraw/zinc/24/94/71/181249471.db2.gz LGIFXGMQZXFXTI-JXAWBTAJSA-N 0 3 308.381 3.728 40 0 DHABHN CC(C)N(C)CCOC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000005962880 181301632 /nfs/dbraw/zinc/30/16/32/181301632.db2.gz RGWSLNIQOSVCQW-SFHVURJKSA-N 0 3 303.446 3.844 40 0 DHABHN CN(C)CC[C@@](O)(Cc1ccccc1)c1cccc(Cl)c1 ZINC000006437073 181341658 /nfs/dbraw/zinc/34/16/58/181341658.db2.gz BZKMSZINPAIIIA-GOSISDBHSA-N 0 3 303.833 3.722 40 0 DHABHN c1ncc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)s1 ZINC000257272819 203001560 /nfs/dbraw/zinc/00/15/60/203001560.db2.gz NDZMJIFTPZZVGF-CQSZACIVSA-N 0 3 309.438 3.756 40 0 DHABHN Fc1ccc(COc2ccccc2CNC[C@H]2CCCO2)cc1 ZINC000016449638 182045275 /nfs/dbraw/zinc/04/52/75/182045275.db2.gz CCVZNTNGGAYUMJ-GOSISDBHSA-N 0 3 315.388 3.673 40 0 DHABHN O=C(CCc1ccncc1)Nc1ccccc1CN1CCCCC1 ZINC000019349082 182117491 /nfs/dbraw/zinc/11/74/91/182117491.db2.gz HOONOXMXQFXUMS-UHFFFAOYSA-N 0 3 323.440 3.639 40 0 DHABHN CCOc1c(Cl)cc(Cl)cc1CNCCN(CC)CC ZINC000022074950 182307903 /nfs/dbraw/zinc/30/79/03/182307903.db2.gz FOZGWUQNSKIKDM-UHFFFAOYSA-N 0 3 319.276 3.824 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 ZINC000072214631 257126414 /nfs/dbraw/zinc/12/64/14/257126414.db2.gz MAVXDAVVUBXLQX-CQSZACIVSA-N 0 3 305.422 3.658 40 0 DHABHN CN[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207674 257128004 /nfs/dbraw/zinc/12/80/04/257128004.db2.gz LPJBZPQJQRTGFC-HZPDHXFCSA-N 0 3 304.434 3.737 40 0 DHABHN CC[C@H](CO)NCc1cccc(OCc2ccccc2Cl)c1 ZINC000008337114 563346165 /nfs/dbraw/zinc/34/61/65/563346165.db2.gz SRRTZUFJSDKPLK-MRXNPFEDSA-N 0 3 319.832 3.780 40 0 DHABHN COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2cccnc2)c1 ZINC000012085288 563361907 /nfs/dbraw/zinc/36/19/07/563361907.db2.gz XAGFKPXRNZMYRL-UWVAXJGDSA-N 0 3 324.424 3.522 40 0 DHABHN CCOc1ccc([C@@H](O)CN(C)Cc2ccccc2)cc1Cl ZINC000031911877 563441327 /nfs/dbraw/zinc/44/13/27/563441327.db2.gz OMDIBWATEJSJEB-KRWDZBQOSA-N 0 3 319.832 3.904 40 0 DHABHN COCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000033852231 563446028 /nfs/dbraw/zinc/44/60/28/563446028.db2.gz QBUUEBUUMUYSIY-UHFFFAOYSA-N 0 3 310.441 3.780 40 0 in-vitro DHABHN C[C@@H](N[C@@H]1COCC[C@]1(O)/C=C/c1ccccc1)c1ccccc1 ZINC000095951570 563531450 /nfs/dbraw/zinc/53/14/50/563531450.db2.gz SRTUKJZRWWXNMC-QUHVZGFBSA-N 0 3 323.436 3.571 40 0 DHABHN c1cc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)co1 ZINC000096061585 563532308 /nfs/dbraw/zinc/53/23/08/563532308.db2.gz BBLYVSASGMNVFO-VQTJNVASSA-N 0 3 311.425 3.892 40 0 DHABHN N[C@@H](c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000095533449 563567763 /nfs/dbraw/zinc/56/77/63/563567763.db2.gz OVQTWHYWIBDAJJ-CYBMUJFWSA-N 0 3 318.302 3.539 40 0 DHABHN Cc1ccc2cc(CNCCc3ccccc3F)c(=O)[nH]c2c1C ZINC000013566551 563660513 /nfs/dbraw/zinc/66/05/13/563660513.db2.gz MOPONKSFGMCCNS-UHFFFAOYSA-N 0 3 324.399 3.616 40 0 DHABHN Cc1csc(-c2cc(C)nc([C@H]3CCCN(C(C)C)C3)n2)n1 ZINC000257332367 563792500 /nfs/dbraw/zinc/79/25/00/563792500.db2.gz XWZARYMOXQQPLU-AWEZNQCLSA-N 0 3 316.474 3.805 40 0 DHABHN C[C@@H]1CN(C[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000575421945 563857058 /nfs/dbraw/zinc/85/70/58/563857058.db2.gz DDYRRJSHTGELEI-HLSYRSCKSA-N 0 3 324.262 3.662 40 0 DHABHN C[C@H](NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000079438545 185171335 /nfs/dbraw/zinc/17/13/35/185171335.db2.gz CPRORZXBJYSPNC-LSDHHAIUSA-N 0 3 319.449 3.522 40 0 DHABHN c1ccc2c(c1)cncc2C[C@@H]1CCN(Cc2cccnc2)C1 ZINC000072367969 191137751 /nfs/dbraw/zinc/13/77/51/191137751.db2.gz WZWMNFIANIMUCR-INIZCTEOSA-N 0 3 303.409 3.694 40 0 DHABHN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2)n1 ZINC000072376717 191138813 /nfs/dbraw/zinc/13/88/13/191138813.db2.gz DKBPPNSVQHKJEC-ZDUSSCGKSA-N 0 3 322.334 3.559 40 0 DHABHN CN(C)c1cccc(CC[C@@H]2CCCCN2Cc2cccnc2)n1 ZINC000257286939 203013617 /nfs/dbraw/zinc/01/36/17/203013617.db2.gz PNSPYMUGHLRQGI-IBGZPJMESA-N 0 3 324.472 3.530 40 0 DHABHN COc1ccc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)cc1 ZINC000012236403 181742890 /nfs/dbraw/zinc/74/28/90/181742890.db2.gz LSBHUEHEOSZKOE-SFHVURJKSA-N 0 3 307.397 3.909 40 0 DHABHN CCCCC(=O)NC(=S)Nc1cccc2c(O)cccc12 ZINC000017030835 182068761 /nfs/dbraw/zinc/06/87/61/182068761.db2.gz SXPTUGIWPAGPQO-UHFFFAOYSA-N 0 3 302.399 3.549 40 0 DHABHN CN(C)[C@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C\c1ccccc1 ZINC000017110330 182075970 /nfs/dbraw/zinc/07/59/70/182075970.db2.gz OVQQEGZJIGLKBO-ONSUTHQWSA-N 0 3 321.420 3.861 40 0 DHABHN Cc1cc(C[C@@H]2CCC[C@H]2NCc2cc(F)ccc2F)on1 ZINC000019120520 182105061 /nfs/dbraw/zinc/10/50/61/182105061.db2.gz DHJWZPLNQFVKPP-YVEFUNNKSA-N 0 3 306.356 3.762 40 0 DHABHN c1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019371881 182119941 /nfs/dbraw/zinc/11/99/41/182119941.db2.gz HKEFNOJIJDASMO-UHFFFAOYSA-N 0 3 320.396 3.511 40 0 DHABHN CC(C)(C)OC(=O)NC[C@H](N)c1ccc(Cl)cc1Cl ZINC000019796211 182150961 /nfs/dbraw/zinc/15/09/61/182150961.db2.gz CGCRUHRFBBMTQY-NSHDSACASA-N 0 3 305.205 3.518 40 0 DHABHN Clc1cccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019831794 182154877 /nfs/dbraw/zinc/15/48/77/182154877.db2.gz RIXXVXALVTVHMJ-NJAFHUGGSA-N 0 3 316.876 3.670 40 0 DHABHN CCCCOc1ccc(CNC[C@H]2CCCO2)cc1OCC ZINC000119591584 256585495 /nfs/dbraw/zinc/58/54/95/256585495.db2.gz ICJVBZVIZNJFMA-MRXNPFEDSA-N 0 3 307.434 3.533 40 0 DHABHN Cc1nc(N2CCN(C(C)C)CC2)ccc1SC(C)(C)C ZINC000072224764 257123309 /nfs/dbraw/zinc/12/33/09/257123309.db2.gz VAWHZMWTGDNIBT-UHFFFAOYSA-N 0 3 307.507 3.811 40 0 DHABHN CCCN1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214379 257125963 /nfs/dbraw/zinc/12/59/63/257125963.db2.gz YAWHDDMFCOZZIY-CQSZACIVSA-N 0 3 305.422 3.976 40 0 DHABHN CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCC(C)CC1 ZINC000002694414 563311646 /nfs/dbraw/zinc/31/16/46/563311646.db2.gz ZGDNITHMLAZCBL-IAGOWNOFSA-N 0 3 305.462 3.672 40 0 DHABHN COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2ccccn2)c1 ZINC000012085264 563361549 /nfs/dbraw/zinc/36/15/49/563361549.db2.gz YBKLQPLDFPGHIL-XAUMDUMWSA-N 0 3 324.424 3.522 40 0 DHABHN COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2cccnc2)cc1 ZINC000012222600 563364676 /nfs/dbraw/zinc/36/46/76/563364676.db2.gz AWCDBPOHAKXSBK-UWVAXJGDSA-N 0 3 324.424 3.522 40 0 DHABHN CN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CCCC1 ZINC000044904714 563464334 /nfs/dbraw/zinc/46/43/34/563464334.db2.gz BDZGNYCLIQGBSS-UHFFFAOYSA-N 0 3 300.446 3.687 40 0 DHABHN CCOc1ccc2[nH]c(=O)c(CN[C@H](C)c3ccccc3)cc2c1 ZINC000013998770 563549426 /nfs/dbraw/zinc/54/94/26/563549426.db2.gz MFECMHKVFXZMHB-CQSZACIVSA-N 0 3 322.408 3.778 40 0 DHABHN Fc1ccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1F ZINC000049169045 563701132 /nfs/dbraw/zinc/70/11/32/563701132.db2.gz KKEGEKFLGAEIIM-ZDUSSCGKSA-N 0 3 313.351 3.831 40 0 biogenic,in-vitro DHABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000257256492 563792482 /nfs/dbraw/zinc/79/24/82/563792482.db2.gz KLRZXNHLSCZDAQ-MRXNPFEDSA-N 0 3 306.413 3.646 40 0 DHABHN Cc1nc(NC2CC2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000328994380 563832663 /nfs/dbraw/zinc/83/26/63/563832663.db2.gz JCWYJPMUQVPFLM-UHFFFAOYSA-N 0 3 308.429 3.701 40 0 DHABHN Cc1nc(NC2CC2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000328997318 563832742 /nfs/dbraw/zinc/83/27/42/563832742.db2.gz JOTDQIQUNKEQRI-UHFFFAOYSA-N 0 3 308.429 3.657 40 0 DHABHN CC(C)(C)c1ccc(CCC(=O)NCCN2CCCCC2)cc1 ZINC000010328687 563922595 /nfs/dbraw/zinc/92/25/95/563922595.db2.gz KTYYFOSADZOKLT-UHFFFAOYSA-N 0 3 316.489 3.519 40 0 DHABHN Cc1ccccc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072366757 191136941 /nfs/dbraw/zinc/13/69/41/191136941.db2.gz ZCIXBNJDXNNAEG-IBGZPJMESA-N 0 3 318.424 3.913 40 0 DHABHN c1ccc(Oc2cncc(N3CC[C@@]4(C[C@H]5CCN4C5)C3)c2)cc1 ZINC000003937371 181058069 /nfs/dbraw/zinc/05/80/69/181058069.db2.gz ZJUHPOJXMRRNNF-OXQOHEQNSA-N 0 3 321.424 3.548 40 0 DHABHN CC1(C)[C@H](C[C@@H]2OC[C@H](CN3CCCCC3)O2)[C@@H]2CC[C@H]1C2 ZINC000005415887 181240793 /nfs/dbraw/zinc/24/07/93/181240793.db2.gz IUQYLYYXKZJRJM-DISONHOPSA-N 0 3 307.478 3.676 40 0 DHABHN Cc1ccsc1CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000006319330 181329902 /nfs/dbraw/zinc/32/99/02/181329902.db2.gz RRUHVYARRKVNJB-UHFFFAOYSA-N 0 3 320.502 3.527 40 0 DHABHN CC1CCN(Cc2ccc(C(=O)N3CCCCCC3)cc2)CC1 ZINC000022526470 182325172 /nfs/dbraw/zinc/32/51/72/182325172.db2.gz DSBOZTPQYHIACE-UHFFFAOYSA-N 0 3 314.473 3.935 40 0 DHABHN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1)C1CC1 ZINC000072215394 257126047 /nfs/dbraw/zinc/12/60/47/257126047.db2.gz INBLUKWKLVJCOR-HNNXBMFYSA-N 0 3 317.433 3.800 40 0 DHABHN CCCN1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214440 257126589 /nfs/dbraw/zinc/12/65/89/257126589.db2.gz MBCDJIYNSFTMFY-HNNXBMFYSA-N 0 3 319.449 4.000 40 0 DHABHN CCCCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000039755128 257217465 /nfs/dbraw/zinc/21/74/65/257217465.db2.gz ANZRNECCBVYNNC-UHFFFAOYSA-N 0 3 302.462 3.513 40 0 DHABHN COCCNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008469223 563643375 /nfs/dbraw/zinc/64/33/75/563643375.db2.gz ASWGJVVKUGYAGU-UHFFFAOYSA-N 0 3 305.805 3.655 40 0 DHABHN CN(CC[C@@]1(C)c2ccccc2CCC1=O)Cc1ccccc1 ZINC000001581099 563286199 /nfs/dbraw/zinc/28/61/99/563286199.db2.gz ZMKGNTPUJWEYCT-NRFANRHFSA-N 0 3 307.437 3.982 40 0 DHABHN Cc1ccc2c(c1)nnn2C1CCN(Cc2ccccc2)CC1 ZINC000035289475 563331374 /nfs/dbraw/zinc/33/13/74/563331374.db2.gz YWCZLMBJTVKZRU-UHFFFAOYSA-N 0 3 306.413 3.577 40 0 DHABHN C[C@H]1CC(C)(C)N(C(=O)CNC2CCCC2)c2ccccc21 ZINC000035311380 563331526 /nfs/dbraw/zinc/33/15/26/563331526.db2.gz CHCFMQIVMMNEOY-AWEZNQCLSA-N 0 3 300.446 3.838 40 0 DHABHN COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)c1 ZINC000012085289 563361724 /nfs/dbraw/zinc/36/17/24/563361724.db2.gz XAGFKPXRNZMYRL-QKLQHJQFSA-N 0 3 324.424 3.522 40 0 DHABHN COc1ccc(-c2cc([C@@H]3CCCCCN3)no2)cc1OC ZINC000012185179 563363939 /nfs/dbraw/zinc/36/39/39/563363939.db2.gz AFLZUZCWHDNRIU-ZDUSSCGKSA-N 0 3 302.374 3.564 40 0 DHABHN Cc1cc2c(cc1CN(C)Cc1cccc3ncccc13)OCO2 ZINC000012191743 563363948 /nfs/dbraw/zinc/36/39/48/563363948.db2.gz PVQKFBUQBJALRW-UHFFFAOYSA-N 0 3 320.392 3.904 40 0 DHABHN CCOCC[C@H]1CCOC12CCN(Cc1ccc(F)cc1)CC2 ZINC000585104155 563516519 /nfs/dbraw/zinc/51/65/19/563516519.db2.gz GLVUSILFOSUBBR-KRWDZBQOSA-N 0 3 321.436 3.623 40 0 DHABHN CCOCC[C@@H]1CCOC12CCN(Cc1ccsc1)CC2 ZINC000585105224 563516598 /nfs/dbraw/zinc/51/65/98/563516598.db2.gz QVCPRTOVKITGNS-MRXNPFEDSA-N 0 3 309.475 3.546 40 0 DHABHN COCC[C@H]1CCOC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000585104141 563517152 /nfs/dbraw/zinc/51/71/52/563517152.db2.gz GHTZCFQADSNIPS-INIZCTEOSA-N 0 3 323.864 3.748 40 0 DHABHN Cc1ccc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)o1 ZINC000096047776 563532685 /nfs/dbraw/zinc/53/26/85/563532685.db2.gz DHBSYDMVSYDHAA-KRWDZBQOSA-N 0 3 312.413 3.522 40 0 DHABHN Cc1ccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)s1 ZINC000096056413 563532715 /nfs/dbraw/zinc/53/27/15/563532715.db2.gz MOZWXXOXXQNXQM-KBAYOESNSA-N 0 3 321.486 3.605 40 0 DHABHN c1cc(CN2CCC3(C[C@H](OCC4CCC4)CO3)CC2)cs1 ZINC000096106950 563533429 /nfs/dbraw/zinc/53/34/29/563533429.db2.gz IIEBPPNCHOMCPM-KRWDZBQOSA-N 0 3 321.486 3.688 40 0 DHABHN CC(C)Cc1ncc(-c2cncc(C3CCN(C)CC3)n2)s1 ZINC000585260973 563536610 /nfs/dbraw/zinc/53/66/10/563536610.db2.gz HPOAKKUNTOKLKU-UHFFFAOYSA-N 0 3 316.474 3.608 40 0 DHABHN COCCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000008469247 563643744 /nfs/dbraw/zinc/64/37/44/563643744.db2.gz PWVCVERSTMREOE-UHFFFAOYSA-N 0 3 305.805 3.655 40 0 DHABHN Cc1cc(-c2noc([C@@H]3CCCN3)n2)cc(C)c1OC(C)C ZINC000095095419 563653788 /nfs/dbraw/zinc/65/37/88/563653788.db2.gz AZASPJVJWMGQOI-AWEZNQCLSA-N 0 3 301.390 3.565 40 0 DHABHN Cc1ncc2cncc([C@H]3CCCN(Cc4ccccc4F)C3)n12 ZINC000257211336 563790552 /nfs/dbraw/zinc/79/05/52/563790552.db2.gz BYNANVUAGDRGBO-INIZCTEOSA-N 0 3 324.403 3.556 40 0 DHABHN CCCCc1ncc(CN2CCC[C@@H](c3nccs3)C2)[nH]1 ZINC000257228771 563790610 /nfs/dbraw/zinc/79/06/10/563790610.db2.gz FVDURGWMSZKENI-CYBMUJFWSA-N 0 3 304.463 3.588 40 0 DHABHN Cc1cn(C)c([C@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257220300 563791022 /nfs/dbraw/zinc/79/10/22/563791022.db2.gz DKHXYHFKDQLUGA-AWEZNQCLSA-N 0 3 323.362 3.737 40 0 DHABHN CC(C)[C@H](N)C(=O)N(Cc1c(Cl)cccc1Cl)C(C)C ZINC000079420402 185170649 /nfs/dbraw/zinc/17/06/49/185170649.db2.gz CQRNGGXRIBEGNO-AWEZNQCLSA-N 0 3 317.260 3.714 40 0 DHABHN CN1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000082334776 185176167 /nfs/dbraw/zinc/17/61/67/185176167.db2.gz KLPMBJORBKCSRC-VIFPVBQESA-N 0 3 320.742 3.639 40 0 DHABHN CC1CCN(CCOc2ccc(NC(=O)C(C)(C)C)cc2)CC1 ZINC000225592114 186281235 /nfs/dbraw/zinc/28/12/35/186281235.db2.gz UUNDHQBOTMWVJN-UHFFFAOYSA-N 0 3 318.461 3.782 40 0 DHABHN Cc1nccn1-c1cccc([C@H]2CCCN2Cc2cccs2)n1 ZINC000072355428 191128761 /nfs/dbraw/zinc/12/87/61/191128761.db2.gz BNWAUIWOIKFTPW-QGZVFWFLSA-N 0 3 324.453 3.974 40 0 DHABHN CN(C)CCN(Cc1cccs1)Cc1cccc(Cl)c1 ZINC000019582593 182132261 /nfs/dbraw/zinc/13/22/61/182132261.db2.gz YYRBHKXQUAOACK-UHFFFAOYSA-N 0 3 308.878 3.965 40 0 DHABHN CN(C)CCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022075012 182307487 /nfs/dbraw/zinc/30/74/87/182307487.db2.gz MQMIIGPINOMWAH-UHFFFAOYSA-N 0 3 318.848 3.570 40 0 DHABHN N[C@H](c1ccccc1)c1ccc(N2CCc3ccccc32)nc1 ZINC000072225817 257123774 /nfs/dbraw/zinc/12/37/74/257123774.db2.gz KROXTSGXUOBERP-HXUWFJFHSA-N 0 3 301.393 3.824 40 0 DHABHN CC(C)N1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214378 257125926 /nfs/dbraw/zinc/12/59/26/257125926.db2.gz HCOGKJUYLVXCNG-AWEZNQCLSA-N 0 3 305.422 3.974 40 0 DHABHN CCN(CC)C(=O)C1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000001668199 563289935 /nfs/dbraw/zinc/28/99/35/563289935.db2.gz FJCCGLKUYYSNHH-UHFFFAOYSA-N 0 3 324.468 3.920 40 0 DHABHN CC[C@@H](CO)NCc1cccc(OCc2ccccc2Cl)c1 ZINC000008326383 563346018 /nfs/dbraw/zinc/34/60/18/563346018.db2.gz SRRTZUFJSDKPLK-INIZCTEOSA-N 0 3 319.832 3.780 40 0 DHABHN O=C(NCc1ccccc1CN1CCCCC1)c1cccs1 ZINC000071806804 563501139 /nfs/dbraw/zinc/50/11/39/563501139.db2.gz MLDDBXLGGBZYNN-UHFFFAOYSA-N 0 3 314.454 3.664 40 0 DHABHN COCC[C@H]1Cn2cccc2CN(Cc2cccc3[nH]ccc32)C1 ZINC000585095447 563515809 /nfs/dbraw/zinc/51/58/09/563515809.db2.gz QXFRXHOKQQAYOO-MRXNPFEDSA-N 0 3 323.440 3.638 40 0 DHABHN c1csc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096056998 563532566 /nfs/dbraw/zinc/53/25/66/563532566.db2.gz JHDIDDVJHZMBTB-ZWKOTPCHSA-N 0 3 321.486 3.546 40 0 DHABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000096058419 563532598 /nfs/dbraw/zinc/53/25/98/563532598.db2.gz VXWFTHKDKWPKSE-SFTDATJTSA-N 0 3 324.443 3.674 40 0 DHABHN Fc1ccccc1CN1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169315 563700975 /nfs/dbraw/zinc/70/09/75/563700975.db2.gz SXPQIHHZBJPCJA-INIZCTEOSA-N 0 3 323.371 3.865 40 0 biogenic,in-vitro DHABHN Cc1cn(C)c([C@@H]2CCN(Cc3cccc(OC(C)C)c3)C2)n1 ZINC000257210508 563789519 /nfs/dbraw/zinc/78/95/19/563789519.db2.gz BUYJOULVWLADLA-QGZVFWFLSA-N 0 3 313.445 3.505 40 0 DHABHN CN(C)c1cccc(CC[C@@H]2CCCCN2Cc2ccccn2)n1 ZINC000257214189 563790786 /nfs/dbraw/zinc/79/07/86/563790786.db2.gz CKYNWFZOXLBBJJ-IBGZPJMESA-N 0 3 324.472 3.530 40 0 DHABHN Cc1nc(NC(C)C)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000328965997 563832683 /nfs/dbraw/zinc/83/26/83/563832683.db2.gz CIFQSVXAUDVBKV-UHFFFAOYSA-N 0 3 316.836 3.821 40 0 DHABHN CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C)n1 ZINC000329025750 563833439 /nfs/dbraw/zinc/83/34/39/563833439.db2.gz PIOGSKHQXZAQKT-KBPBESRZSA-N 0 3 310.445 3.947 40 0 DHABHN C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)CCO ZINC000005423425 563909800 /nfs/dbraw/zinc/90/98/00/563909800.db2.gz OVBCYALNGQQYRZ-AWEZNQCLSA-N 0 3 314.454 3.602 40 0 DHABHN C[C@@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)NCc1cccnc1 ZINC000013786274 563928819 /nfs/dbraw/zinc/92/88/19/563928819.db2.gz YOGMQUBAEAYSMA-RLFYNMQTSA-N 0 3 300.446 3.757 40 0 DHABHN COc1cc(CN[C@H](C)c2ccccc2)cc(OC)c1OC ZINC000002390519 568421954 /nfs/dbraw/zinc/42/19/54/568421954.db2.gz JCIFLHBRVKCNCP-CYBMUJFWSA-N 0 3 301.386 3.563 40 0 DHABHN CN1CCC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000082336949 185176414 /nfs/dbraw/zinc/17/64/14/185176414.db2.gz HMBZBDFQLNKIGD-VIFPVBQESA-N 0 3 320.742 3.639 40 0 DHABHN CN1CCC([C@@H]2COC2(c2ccccc2)c2ccccc2)CC1 ZINC000004600879 181128914 /nfs/dbraw/zinc/12/89/14/181128914.db2.gz PYYYJPPJCMMYFY-FQEVSTJZSA-N 0 3 307.437 3.918 40 0 DHABHN CN1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000073414518 191314479 /nfs/dbraw/zinc/31/44/79/191314479.db2.gz KRUBBHUCMPIMGF-UHFFFAOYSA-N 0 3 322.452 3.557 40 0 DHABHN CCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@@H]1c1ccccc1 ZINC000005699193 181274083 /nfs/dbraw/zinc/27/40/83/181274083.db2.gz NFOFODLZYVUMFC-CTNGQTDRSA-N 0 3 323.436 3.954 40 0 DHABHN COc1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010327985 181666474 /nfs/dbraw/zinc/66/64/74/181666474.db2.gz SDKGYWPIOXCHOD-UHFFFAOYSA-N 0 3 310.397 3.543 40 0 DHABHN c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN3)n2)cc1 ZINC000019373155 182120740 /nfs/dbraw/zinc/12/07/40/182120740.db2.gz MMBUHEXFLCDWBH-MRXNPFEDSA-N 0 3 317.396 3.707 40 0 DHABHN CC1CCN(Cc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)CC1 ZINC000020452820 182218858 /nfs/dbraw/zinc/21/88/58/182218858.db2.gz CEQORBVDFWFPFW-QGZVFWFLSA-N 0 3 314.473 3.791 40 0 DHABHN CC1(C)CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000039760192 183021403 /nfs/dbraw/zinc/02/14/03/183021403.db2.gz LHBKGRPEOKATIQ-UHFFFAOYSA-N 0 3 314.473 3.547 40 0 DHABHN CCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCN2)n1 ZINC000072209140 257128451 /nfs/dbraw/zinc/12/84/51/257128451.db2.gz WXNMVSLHKUKFJG-GFCCVEGCSA-N 0 3 307.781 3.603 40 0 DHABHN CC(C)Cn1cnc2c1C1(CCN(C)CC1)Oc1ccccc1-2 ZINC000306143411 528742219 /nfs/dbraw/zinc/74/22/19/528742219.db2.gz YBTILBCQFKARQA-UHFFFAOYSA-N 0 3 311.429 3.519 40 0 DHABHN C[C@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000001683408 563291129 /nfs/dbraw/zinc/29/11/29/563291129.db2.gz CNFNVXPDSNSPKW-APWZRJJASA-N 0 3 315.457 3.988 40 0 DHABHN COCC[C@@H]1Cn2cccc2CN(Cc2cccc3[nH]ccc32)C1 ZINC000585095446 563516009 /nfs/dbraw/zinc/51/60/09/563516009.db2.gz QXFRXHOKQQAYOO-INIZCTEOSA-N 0 3 323.440 3.638 40 0 DHABHN COC[C@H]1COCCC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000096106319 563533624 /nfs/dbraw/zinc/53/36/24/563533624.db2.gz WYBABUBKWPQQPD-INIZCTEOSA-N 0 3 323.864 3.605 40 0 DHABHN N[C@H](CNC(=O)OCc1ccccc1)c1ccc2ccccc2c1 ZINC000096295488 563536540 /nfs/dbraw/zinc/53/65/40/563536540.db2.gz DWWDQIVHSPBXFK-LJQANCHMSA-N 0 3 320.392 3.766 40 0 DHABHN c1csc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107751967 563567169 /nfs/dbraw/zinc/56/71/69/563567169.db2.gz JHDIDDVJHZMBTB-MSOLQXFVSA-N 0 3 321.486 3.546 40 0 DHABHN O=C(CNC1CCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000000411756 563608169 /nfs/dbraw/zinc/60/81/69/563608169.db2.gz BUVPXRLLVYZSRD-UHFFFAOYSA-N 0 3 300.324 3.566 40 0 DHABHN CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000225213854 563750198 /nfs/dbraw/zinc/75/01/98/563750198.db2.gz PXANPXARFXANLY-MRXNPFEDSA-N 0 3 302.462 3.693 40 0 DHABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 ZINC000248084142 563782558 /nfs/dbraw/zinc/78/25/58/563782558.db2.gz AXBXJEBMMWIAMQ-RTBURBONSA-N 0 3 312.482 3.596 40 0 DHABHN COc1ccc2[nH]c(CN3CCC[C@@H](c4nc(C)c[nH]4)C3)cc2c1 ZINC000257207746 563789619 /nfs/dbraw/zinc/78/96/19/563789619.db2.gz BJBCZLMOALORBA-CQSZACIVSA-N 0 3 324.428 3.588 40 0 DHABHN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000307198996 563912967 /nfs/dbraw/zinc/91/29/67/563912967.db2.gz YZFBIESGISWLFU-MRXNPFEDSA-N 0 3 318.461 3.812 40 0 DHABHN Cc1cc(-c2noc([C@H]3CCCN3)n2)cc(C)c1OCC(C)C ZINC000095095428 563930903 /nfs/dbraw/zinc/93/09/03/563930903.db2.gz LRJQWKGDDKZHSQ-OAHLLOKOSA-N 0 3 315.417 3.813 40 0 DHABHN C[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000079438539 185171467 /nfs/dbraw/zinc/17/14/67/185171467.db2.gz CPRORZXBJYSPNC-GJZGRUSLSA-N 0 3 319.449 3.522 40 0 DHABHN O=c1[nH]c2ccccc2cc1C1=CCN(Cc2ccccc2)CC1 ZINC000090646353 185307926 /nfs/dbraw/zinc/30/79/26/185307926.db2.gz GQHUAFYOFQRHRS-UHFFFAOYSA-N 0 3 316.404 3.817 40 0 DHABHN c1csc([C@@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000092788603 185341548 /nfs/dbraw/zinc/34/15/48/185341548.db2.gz UYYYEWGRXNOJRQ-OAHLLOKOSA-N 0 3 324.453 3.913 40 0 DHABHN c1csc(-c2[nH]c3ncccc3c2CN2CCSCC2)c1 ZINC000072397007 191148926 /nfs/dbraw/zinc/14/89/26/191148926.db2.gz ZXXBEBYTXIXJDU-UHFFFAOYSA-N 0 3 315.467 3.840 40 0 DHABHN CCOC(=O)[C@H]1CN[C@H](c2ccccc2)C[C@@H]1c1ccccc1 ZINC000003845405 181048516 /nfs/dbraw/zinc/04/85/16/181048516.db2.gz VRGSYPCBWQRFQZ-QYZOEREBSA-N 0 3 309.409 3.684 40 0 DHABHN CCC1(N[C@H](Cc2ccccc2)c2ccccc2)COCOC1 ZINC000005964886 181301283 /nfs/dbraw/zinc/30/12/83/181301283.db2.gz IGYJSMIDQHNODT-LJQANCHMSA-N 0 3 311.425 3.713 40 0 DHABHN CC(C)Cc1ncc(-c2nccnc2[C@H]2CCCN(C)C2)s1 ZINC000257321567 203044540 /nfs/dbraw/zinc/04/45/40/203044540.db2.gz WCEVAGSOBRGBTH-ZDUSSCGKSA-N 0 3 316.474 3.608 40 0 DHABHN c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN3)n2)cc1 ZINC000019373157 182120721 /nfs/dbraw/zinc/12/07/21/182120721.db2.gz MMBUHEXFLCDWBH-INIZCTEOSA-N 0 3 317.396 3.707 40 0 DHABHN C=Cn1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)n1 ZINC000019584208 182131787 /nfs/dbraw/zinc/13/17/87/182131787.db2.gz MMZDMBHLBLOTBX-INIZCTEOSA-N 0 3 321.428 3.548 40 0 DHABHN Clc1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019788319 182148585 /nfs/dbraw/zinc/14/85/85/182148585.db2.gz XLOBFAUBASFTED-RYRKJORJSA-N 0 3 316.876 3.670 40 0 DHABHN CN(C)CCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022075792 182307501 /nfs/dbraw/zinc/30/75/01/182307501.db2.gz AGQAFFLOCMSROJ-UHFFFAOYSA-N 0 3 318.848 3.570 40 0 DHABHN COc1ccc(CCNCc2cc(Cl)ccc2OC)cc1 ZINC000022076432 182308563 /nfs/dbraw/zinc/30/85/63/182308563.db2.gz VDRMTXQTYKEALR-UHFFFAOYSA-N 0 3 305.805 3.690 40 0 DHABHN Cc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000039745461 183021932 /nfs/dbraw/zinc/02/19/32/183021932.db2.gz YNBHWJMKHBLZQY-UHFFFAOYSA-N 0 3 314.473 3.610 40 0 DHABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 ZINC000072214843 257126686 /nfs/dbraw/zinc/12/66/86/257126686.db2.gz NRMYGDNKUBBUIN-HNNXBMFYSA-N 0 3 319.449 3.998 40 0 DHABHN CC(C)Oc1ccc(Cl)cc1-c1noc([C@@H]2CCCN2)n1 ZINC000072209132 257128049 /nfs/dbraw/zinc/12/80/49/257128049.db2.gz GTSBJHPAHFFQHP-LBPRGKRZSA-N 0 3 307.781 3.602 40 0 DHABHN C[C@H](NC(=O)C(C)(C)N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000237541870 524896113 /nfs/dbraw/zinc/89/61/13/524896113.db2.gz FNERALZSGWWYDO-LBPRGKRZSA-N 0 3 316.376 3.533 40 0 DHABHN CN(C)[C@@H]1c2ccccc2-c2ccc(NC(=O)C(F)(F)F)cc21 ZINC000001662432 563289952 /nfs/dbraw/zinc/28/99/52/563289952.db2.gz NQIVGJNQMGRQER-OAHLLOKOSA-N 0 3 320.314 3.819 40 0 DHABHN Cc1ccc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)o1 ZINC000096047777 563532778 /nfs/dbraw/zinc/53/27/78/563532778.db2.gz DHBSYDMVSYDHAA-QGZVFWFLSA-N 0 3 312.413 3.522 40 0 DHABHN COC[C@H]1COCCC12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000096106321 563533306 /nfs/dbraw/zinc/53/33/06/563533306.db2.gz CSYHOMQYTMJBJX-INIZCTEOSA-N 0 3 323.864 3.605 40 0 DHABHN c1cc(CN2CC[C@]3(C2)CCCN(c2ccccn2)C3)cs1 ZINC000096216636 563535541 /nfs/dbraw/zinc/53/55/41/563535541.db2.gz YSMUSOLMXQKXMV-SFHVURJKSA-N 0 3 313.470 3.636 40 0 DHABHN N[C@H](c1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 ZINC000095533450 563567643 /nfs/dbraw/zinc/56/76/43/563567643.db2.gz DEUFHSZAADCPOU-ZDUSSCGKSA-N 0 3 318.302 3.539 40 0 DHABHN COCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008469180 563643731 /nfs/dbraw/zinc/64/37/31/563643731.db2.gz ZTFDZQWDHZANPA-UHFFFAOYSA-N 0 3 305.805 3.655 40 0 DHABHN CCCOc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C ZINC000095095418 563653742 /nfs/dbraw/zinc/65/37/42/563653742.db2.gz KBOMOUWNUBDYLU-CQSZACIVSA-N 0 3 301.390 3.567 40 0 DHABHN Cc1ccc(CN2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)o1 ZINC000049169843 563700947 /nfs/dbraw/zinc/70/09/47/563700947.db2.gz ASPSDRNHUZYGTR-INIZCTEOSA-N 0 3 323.396 3.551 40 0 biogenic,in-vitro DHABHN O=C(NCC1=CCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000224095427 563739191 /nfs/dbraw/zinc/73/91/91/563739191.db2.gz FUAZWDPTHWGUFM-UHFFFAOYSA-N 0 3 312.457 3.903 40 0 DHABHN CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O ZINC000000001001 563846041 /nfs/dbraw/zinc/84/60/41/563846041.db2.gz IALAUUKEGMAATC-UHFFFAOYSA-N 0 3 317.388 3.992 40 0 DHABHN C[C@@H]1CN(C[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000575421950 563857054 /nfs/dbraw/zinc/85/70/54/563857054.db2.gz DDYRRJSHTGELEI-LMWOUKEDSA-N 0 3 324.262 3.662 40 0 DHABHN Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1ccccc1)C2 ZINC000225487870 563928609 /nfs/dbraw/zinc/92/86/09/563928609.db2.gz TYIPPDUNQRDOQU-SFHVURJKSA-N 0 3 322.408 3.726 40 0 biogenic,in-vitro DHABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000004269835 181090137 /nfs/dbraw/zinc/09/01/37/181090137.db2.gz JCIFLHBRVKCNCP-ZDUSSCGKSA-N 0 3 301.386 3.563 40 0 DHABHN CN(C)c1cccc(CC[C@H]2CCCCN2Cc2cccnc2)n1 ZINC000257286940 203013967 /nfs/dbraw/zinc/01/39/67/203013967.db2.gz PNSPYMUGHLRQGI-LJQANCHMSA-N 0 3 324.472 3.530 40 0 DHABHN CCCNCc1cc2c(C)nn(-c3ccccc3)c2nc1Cl ZINC000019503743 182126671 /nfs/dbraw/zinc/12/66/71/182126671.db2.gz BITLXOXJXBSZLV-UHFFFAOYSA-N 0 3 314.820 3.882 40 0 DHABHN Cc1oc2ccccc2c1CN(CCN(C)C)Cc1ccncc1 ZINC000019581940 182131970 /nfs/dbraw/zinc/13/19/70/182131970.db2.gz VMUHEUSQVQVCOZ-UHFFFAOYSA-N 0 3 323.440 3.700 40 0 DHABHN C=Cn1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)n1 ZINC000019584205 182132187 /nfs/dbraw/zinc/13/21/87/182132187.db2.gz MMZDMBHLBLOTBX-MRXNPFEDSA-N 0 3 321.428 3.548 40 0 DHABHN CN(C)CCN(Cc1cccs1)Cc1ccccc1Cl ZINC000019582607 182132352 /nfs/dbraw/zinc/13/23/52/182132352.db2.gz UUHFHQKGEUSRPO-UHFFFAOYSA-N 0 3 308.878 3.965 40 0 DHABHN CCOc1cc(C=O)ccc1OCCN1CCCC[C@@H]1CC ZINC000020131589 182190722 /nfs/dbraw/zinc/19/07/22/182190722.db2.gz GXQFIRFONQVAOR-INIZCTEOSA-N 0 3 305.418 3.541 40 0 DHABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 ZINC000072214663 257125817 /nfs/dbraw/zinc/12/58/17/257125817.db2.gz KKONAWZIRIQULN-HNNXBMFYSA-N 0 3 319.449 4.000 40 0 DHABHN CCN1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214455 257126270 /nfs/dbraw/zinc/12/62/70/257126270.db2.gz QTUOZMJFDSLMRC-HNNXBMFYSA-N 0 3 319.449 4.000 40 0 DHABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 ZINC000072214844 257126311 /nfs/dbraw/zinc/12/63/11/257126311.db2.gz NRMYGDNKUBBUIN-OAHLLOKOSA-N 0 3 319.449 3.998 40 0 DHABHN CC(C)N1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214317 257126473 /nfs/dbraw/zinc/12/64/73/257126473.db2.gz NCJXSRCIXZWBJY-CQSZACIVSA-N 0 3 305.422 3.974 40 0 DHABHN CN[C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207675 257128387 /nfs/dbraw/zinc/12/83/87/257128387.db2.gz LPJBZPQJQRTGFC-JKSUJKDBSA-N 0 3 304.434 3.737 40 0 DHABHN CN[C@@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207676 257128434 /nfs/dbraw/zinc/12/84/34/257128434.db2.gz LPJBZPQJQRTGFC-CVEARBPZSA-N 0 3 304.434 3.737 40 0 DHABHN CC(C)N(C)CCOC(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000001641391 563288867 /nfs/dbraw/zinc/28/88/67/563288867.db2.gz RGWSLNIQOSVCQW-GOSISDBHSA-N 0 3 303.446 3.844 40 0 DHABHN O=C(OCCN1CCCC1)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001712583 563293236 /nfs/dbraw/zinc/29/32/36/563293236.db2.gz WBSQBCKCXJYLSQ-OALUTQOASA-N 0 3 313.441 3.766 40 0 DHABHN CN(C(=O)c1ccc(CN2CCCC2)cc1)C1CCCCC1 ZINC000044940385 563464415 /nfs/dbraw/zinc/46/44/15/563464415.db2.gz AHVZFEMBAJRQBL-UHFFFAOYSA-N 0 3 300.446 3.687 40 0 DHABHN c1cc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)cs1 ZINC000096047773 563532635 /nfs/dbraw/zinc/53/26/35/563532635.db2.gz PAPVCEXCIDQGMB-KRWDZBQOSA-N 0 3 314.454 3.682 40 0 DHABHN CCOc1cc(CNC[C@H]2CCCO2)ccc1O[C@H](C)CC ZINC000225158272 563749859 /nfs/dbraw/zinc/74/98/59/563749859.db2.gz XZPVYASBZRPMPA-GDBMZVCRSA-N 0 3 307.434 3.531 40 0 DHABHN Cc1cc([C@@H]2c3ccccc3CCCN2[C@H]2CCOC2)ccn1 ZINC000248104088 563782976 /nfs/dbraw/zinc/78/29/76/563782976.db2.gz OPOOVEDFDNTLAZ-AZUAARDMSA-N 0 3 308.425 3.517 40 0 DHABHN CN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000257205483 563789677 /nfs/dbraw/zinc/78/96/77/563789677.db2.gz AZGYBNSHACJNIG-UHFFFAOYSA-N 0 3 321.346 3.972 40 0 DHABHN COc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1OC ZINC000013534184 563839983 /nfs/dbraw/zinc/83/99/83/563839983.db2.gz ZTGJVEWQUBETBR-UHFFFAOYSA-N 0 3 309.409 3.993 40 0 DHABHN CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000067801196 563928152 /nfs/dbraw/zinc/92/81/52/563928152.db2.gz LBMLHFPYKJGHAD-UHFFFAOYSA-N 0 3 322.424 3.562 40 0 DHABHN CC(C)(C)c1ccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc1 ZINC000095533464 563931852 /nfs/dbraw/zinc/93/18/52/563931852.db2.gz UVNIZPJGGOHQTM-MRXNPFEDSA-N 0 3 306.413 3.817 40 0 DHABHN CN1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000082334777 185176201 /nfs/dbraw/zinc/17/62/01/185176201.db2.gz KLPMBJORBKCSRC-SECBINFHSA-N 0 3 320.742 3.639 40 0 DHABHN c1csc([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000092788736 185341287 /nfs/dbraw/zinc/34/12/87/185341287.db2.gz SSIFKBCLOCMUMT-INIZCTEOSA-N 0 3 312.438 3.799 40 0 DHABHN Cc1cc(OCCN(C)C)c(C(C)C)cc1OC(=O)OC(C)C ZINC000000001581 180667723 /nfs/dbraw/zinc/66/77/23/180667723.db2.gz JBWWCPMFTSBPAK-UHFFFAOYSA-N 0 3 323.433 3.983 40 0 in-man DHABHN Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(C(C)C)C1 ZINC000072383513 191144518 /nfs/dbraw/zinc/14/45/18/191144518.db2.gz ZSOUVQTVDJWYPQ-OAHLLOKOSA-N 0 3 312.417 3.560 40 0 DHABHN C=CNCCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000005235850 181219620 /nfs/dbraw/zinc/21/96/20/181219620.db2.gz FJUSSAGMMAZHMK-UHFFFAOYSA-N 0 3 305.425 3.977 40 0 DHABHN COc1ccc2[nH]c(CN3CCC[C@H](c4n[nH]cc4C)C3)cc2c1 ZINC000257207030 202943489 /nfs/dbraw/zinc/94/34/89/202943489.db2.gz BGBCRDBDXSWZFO-AWEZNQCLSA-N 0 3 324.428 3.588 40 0 DHABHN O=C(NCc1ccccc1CN1CCCCC1)Nc1ccccc1 ZINC000018177331 182096596 /nfs/dbraw/zinc/09/65/96/182096596.db2.gz JPEXBERWHLUFGP-UHFFFAOYSA-N 0 3 323.440 3.994 40 0 DHABHN CN(C)c1ncc(CN2CCCC[C@H]2CCc2ccccc2)cn1 ZINC000019585527 182132131 /nfs/dbraw/zinc/13/21/31/182132131.db2.gz XLYXVIUTSXOFJR-IBGZPJMESA-N 0 3 324.472 3.530 40 0 DHABHN CN(C)CCN(Cc1cccs1)Cc1cc(F)ccc1F ZINC000019582672 182132444 /nfs/dbraw/zinc/13/24/44/182132444.db2.gz NOQUHGZGYSSXLX-UHFFFAOYSA-N 0 3 310.413 3.590 40 0 DHABHN CCOc1cc(C=O)ccc1OCCN1CCCC[C@H]1CC ZINC000020131592 182190864 /nfs/dbraw/zinc/19/08/64/182190864.db2.gz GXQFIRFONQVAOR-MRXNPFEDSA-N 0 3 305.418 3.541 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 ZINC000072214604 257125944 /nfs/dbraw/zinc/12/59/44/257125944.db2.gz QSXLYMLOWRXWQI-CQSZACIVSA-N 0 3 305.422 3.610 40 0 DHABHN CC(C)N1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214497 257126100 /nfs/dbraw/zinc/12/61/00/257126100.db2.gz AFQONVVXEXFGSM-OAHLLOKOSA-N 0 3 319.449 3.998 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 ZINC000072214603 257126410 /nfs/dbraw/zinc/12/64/10/257126410.db2.gz QSXLYMLOWRXWQI-AWEZNQCLSA-N 0 3 305.422 3.610 40 0 DHABHN CCN(CC)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000038832599 257217460 /nfs/dbraw/zinc/21/74/60/257217460.db2.gz IKOMWRADGXLXDP-UHFFFAOYSA-N 0 3 322.452 3.727 40 0 DHABHN CC[C@H](C)[C@@H](C(=O)OC1CCN(CC)CC1)c1ccccc1 ZINC000001726501 563294003 /nfs/dbraw/zinc/29/40/03/563294003.db2.gz UBWAHRVZHIOXEQ-MAUKXSAKSA-N 0 3 303.446 3.844 40 0 DHABHN CC(C)(CO)NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000006883155 563334727 /nfs/dbraw/zinc/33/47/27/563334727.db2.gz LJTGYIIEUHJGIZ-UHFFFAOYSA-N 0 3 319.832 3.780 40 0 DHABHN CC[C@@H](CO)NCc1ccccc1OCc1ccccc1Cl ZINC000008326401 563346135 /nfs/dbraw/zinc/34/61/35/563346135.db2.gz CSCDYMXYTYWNHI-INIZCTEOSA-N 0 3 319.832 3.780 40 0 DHABHN c1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cs1 ZINC000096057000 563532411 /nfs/dbraw/zinc/53/24/11/563532411.db2.gz WMUHCITWGNZEDZ-ZWKOTPCHSA-N 0 3 321.486 3.546 40 0 DHABHN c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2cccnc2)cc1 ZINC000096061593 563532820 /nfs/dbraw/zinc/53/28/20/563532820.db2.gz RWCFTJUNBNYUIY-LEWJYISDSA-N 0 3 322.452 3.694 40 0 DHABHN COC[C@@H]1COCCC12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000096106320 563533044 /nfs/dbraw/zinc/53/30/44/563533044.db2.gz CSYHOMQYTMJBJX-MRXNPFEDSA-N 0 3 323.864 3.605 40 0 DHABHN COc1ccc(CNCc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000007538550 563640437 /nfs/dbraw/zinc/64/04/37/563640437.db2.gz FGZQUUKUDNUGGA-UHFFFAOYSA-N 0 3 321.804 3.656 40 0 DHABHN COCCNCc1ccc(OCc2ccccc2Cl)cc1 ZINC000008469193 563643523 /nfs/dbraw/zinc/64/35/23/563643523.db2.gz TZUXLDJVPIZZFO-UHFFFAOYSA-N 0 3 305.805 3.655 40 0 DHABHN COCCNCc1cc(C)n(Cc2ccc(Cl)cc2)c1C ZINC000223664789 563735356 /nfs/dbraw/zinc/73/53/56/563735356.db2.gz DCFPZVFPYXFDOM-UHFFFAOYSA-N 0 3 306.837 3.543 40 0 DHABHN c1ccc(Sc2cccc3c(N4CCNCC4)ccnc23)cc1 ZINC000225321760 563752110 /nfs/dbraw/zinc/75/21/10/563752110.db2.gz JYHATTUVDFGHPO-UHFFFAOYSA-N 0 3 321.449 3.796 40 0 DHABHN Cc1csc(-c2cc([C@@H]3CCCN(C(C)C)C3)nc(C)n2)n1 ZINC000257232384 563791851 /nfs/dbraw/zinc/79/18/51/563791851.db2.gz GKRGUGMRNJSHRG-CQSZACIVSA-N 0 3 316.474 3.805 40 0 DHABHN Cc1ccc(OC[C@@H](O)CN2CCCCC2)c(C(C)(C)C)c1 ZINC000026781081 563795237 /nfs/dbraw/zinc/79/52/37/563795237.db2.gz VJCMXUCBOXMTLY-INIZCTEOSA-N 0 3 305.462 3.518 40 0 DHABHN CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C)n1 ZINC000329025756 563833615 /nfs/dbraw/zinc/83/36/15/563833615.db2.gz PIOGSKHQXZAQKT-ZIAGYGMSSA-N 0 3 310.445 3.947 40 0 DHABHN CCCCOc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C ZINC000095095421 563931007 /nfs/dbraw/zinc/93/10/07/563931007.db2.gz CIYJCUJZDHICFX-HNNXBMFYSA-N 0 3 315.417 3.957 40 0 DHABHN CN1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000082336883 185176375 /nfs/dbraw/zinc/17/63/75/185176375.db2.gz XBXBPBIKAVKZHD-HNNXBMFYSA-N 0 3 310.397 3.759 40 0 DHABHN CC(C)(C)CN1CCC[C@@H]1c1cccc(Nc2ncccn2)n1 ZINC000072375161 191139899 /nfs/dbraw/zinc/13/98/99/191139899.db2.gz AIYSPHKGZCPQLT-OAHLLOKOSA-N 0 3 311.433 3.798 40 0 DHABHN CC1(C)[C@H](C[C@H]2OC[C@H](CN3CCCCC3)O2)[C@@H]2CC[C@H]1C2 ZINC000005415888 181240609 /nfs/dbraw/zinc/24/06/09/181240609.db2.gz IUQYLYYXKZJRJM-ICUGJSFKSA-N 0 3 307.478 3.676 40 0 DHABHN CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1[C@@H]2O ZINC000005813266 181285825 /nfs/dbraw/zinc/28/58/25/181285825.db2.gz AMLZJBJUPQPFNG-NRFANRHFSA-N 0 3 319.404 3.842 40 0 DHABHN CN1CCC[C@H]1c1cc2cccnc2n1Cc1ccc(F)cc1 ZINC000019588705 182132054 /nfs/dbraw/zinc/13/20/54/182132054.db2.gz JUESPYYZNLGUEB-KRWDZBQOSA-N 0 3 309.388 3.990 40 0 DHABHN Clc1cccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019831795 182154963 /nfs/dbraw/zinc/15/49/63/182154963.db2.gz RIXXVXALVTVHMJ-BPQIPLTHSA-N 0 3 316.876 3.670 40 0 DHABHN CC(C)[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000260897713 563781753 /nfs/dbraw/zinc/78/17/53/563781753.db2.gz KNIMVCDNUSUQTQ-HOCLYGCPSA-N 0 3 322.880 3.713 40 0 DHABHN c1sc([C@@H]2C[C@@H]3CCN(CC4CC4)C[C@H]3O2)nc1C1CC1 ZINC000096070695 563532774 /nfs/dbraw/zinc/53/27/74/563532774.db2.gz NGOCNTWOTYVHMW-CWRNSKLLSA-N 0 3 304.459 3.582 40 0 DHABHN Cc1cccc(CN2CCC3(CC(Oc4cccnc4)C3)CC2)n1 ZINC000096159349 563534926 /nfs/dbraw/zinc/53/49/26/563534926.db2.gz OOASWSDNMYANCO-UHFFFAOYSA-N 0 3 323.440 3.609 40 0 DHABHN COc1cccc(C=O)c1OCCCN1[C@@H](C)CCC[C@@H]1C ZINC000217789847 563714679 /nfs/dbraw/zinc/71/46/79/563714679.db2.gz HUEIPUFUKWDIOH-GJZGRUSLSA-N 0 3 305.418 3.540 40 0 DHABHN Cc1cc2nccc([C@@]3(C)CCCN3CCc3ccccc3)n2n1 ZINC000257210661 563789547 /nfs/dbraw/zinc/78/95/47/563789547.db2.gz BVPRFDBOJHWJJR-HXUWFJFHSA-N 0 3 320.440 3.591 40 0 DHABHN Cc1cc2nccc([C@]3(C)CCCN3CCc3ccccc3)n2n1 ZINC000257210660 563789978 /nfs/dbraw/zinc/78/99/78/563789978.db2.gz BVPRFDBOJHWJJR-FQEVSTJZSA-N 0 3 320.440 3.591 40 0 DHABHN Cc1cc(-c2noc([C@@H]3CCCN3)n2)cc(C)c1OCC(C)C ZINC000095095427 563930907 /nfs/dbraw/zinc/93/09/07/563930907.db2.gz LRJQWKGDDKZHSQ-HNNXBMFYSA-N 0 3 315.417 3.813 40 0 DHABHN CC(C)(C)c1ccc(-c2nc([C@H](N)c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533332 563931840 /nfs/dbraw/zinc/93/18/40/563931840.db2.gz DWZTVVBWUJRXCT-MRXNPFEDSA-N 0 3 324.403 3.956 40 0 DHABHN Cc1ccn2c(c1)nc(-c1ccc(Br)cc1)c2CN ZINC000002508654 563938207 /nfs/dbraw/zinc/93/82/07/563938207.db2.gz ZMXLWVXLWGGYCI-UHFFFAOYSA-N 0 3 316.202 3.531 40 0 DHABHN c1ccc2c(c1)cncc2C[C@@H]1CCN(Cc2ccncc2)C1 ZINC000072367958 191136980 /nfs/dbraw/zinc/13/69/80/191136980.db2.gz CXZYEKBNQCPJBV-KRWDZBQOSA-N 0 3 303.409 3.694 40 0 DHABHN Cc1ccc(CNCc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000013999251 181918547 /nfs/dbraw/zinc/91/85/47/181918547.db2.gz SKAOKYPMSYMNJP-UHFFFAOYSA-N 0 3 306.409 3.743 40 0 DHABHN CN(C)CCNCc1ccccc1OCc1ccccc1Cl ZINC000022075023 182307749 /nfs/dbraw/zinc/30/77/49/182307749.db2.gz HFSYJWZTIXDUBB-UHFFFAOYSA-N 0 3 318.848 3.570 40 0 DHABHN CCCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038858871 183012053 /nfs/dbraw/zinc/01/20/53/183012053.db2.gz PPUGDHNYFHLAAI-MRXNPFEDSA-N 0 3 322.880 3.858 40 0 DHABHN CCN1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214334 257125930 /nfs/dbraw/zinc/12/59/30/257125930.db2.gz RPINRFQTDFVSEE-CQSZACIVSA-N 0 3 305.422 3.976 40 0 DHABHN CCCN1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214320 257126275 /nfs/dbraw/zinc/12/62/75/257126275.db2.gz NFLSYUTZKQRFTB-AWEZNQCLSA-N 0 3 305.422 3.976 40 0 DHABHN CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215308 257126689 /nfs/dbraw/zinc/12/66/89/257126689.db2.gz GWCSBVCYCUIHJO-OAHLLOKOSA-N 0 3 317.433 3.752 40 0 DHABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2)cn1)C1CC1 ZINC000072215335 257126713 /nfs/dbraw/zinc/12/67/13/257126713.db2.gz AOQUQDNUUBTKBP-OAHLLOKOSA-N 0 3 317.433 3.800 40 0 DHABHN Fc1ccc2[nH]c([C@H]3CCN(Cc4ccccc4F)C3)nc2c1 ZINC000049169003 560085091 /nfs/dbraw/zinc/08/50/91/560085091.db2.gz VJFHPDZZWSGWLH-ZDUSSCGKSA-N 0 3 313.351 3.831 40 0 biogenic,in-vitro DHABHN CCCCNc1ccc(C(=O)OC2CCN(C)CC2)c(Cl)c1 ZINC000001574098 563285571 /nfs/dbraw/zinc/28/55/71/563285571.db2.gz WROMRZIXHGGSBM-UHFFFAOYSA-N 0 3 324.852 3.803 40 0 DHABHN CN(C)Cc1ccccc1COC(=O)c1ccc(Cl)cc1 ZINC000001716136 563293290 /nfs/dbraw/zinc/29/32/90/563293290.db2.gz BRQNXDDCGGXZMM-UHFFFAOYSA-N 0 3 303.789 3.759 40 0 DHABHN CC[C@H](OC[C@H](O)CN[C@H](C)c1ccccc1)c1ccccc1 ZINC000248261139 563480361 /nfs/dbraw/zinc/48/03/61/563480361.db2.gz QPXDBTYBCYZQBM-AHRSYUTCSA-N 0 3 313.441 3.866 40 0 DHABHN c1csc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096056997 563532199 /nfs/dbraw/zinc/53/21/99/563532199.db2.gz JHDIDDVJHZMBTB-QZTJIDSGSA-N 0 3 321.486 3.546 40 0 DHABHN O=C1CC[C@@H]2[C@@H](CCN2Cc2cccs2)N1c1ccccc1 ZINC000096056613 563532836 /nfs/dbraw/zinc/53/28/36/563532836.db2.gz WANQPJFLRCYFPZ-IAGOWNOFSA-N 0 3 312.438 3.518 40 0 DHABHN CCOc1ccc2[nH]c(=O)c(CN[C@@H](C)c3ccccc3)cc2c1 ZINC000013998767 563549419 /nfs/dbraw/zinc/54/94/19/563549419.db2.gz MFECMHKVFXZMHB-AWEZNQCLSA-N 0 3 322.408 3.778 40 0 DHABHN CCOc1cc(CNC2CC2)ccc1OCc1cccs1 ZINC000007523847 563640611 /nfs/dbraw/zinc/64/06/11/563640611.db2.gz DVCZCAZHEPQZJM-UHFFFAOYSA-N 0 3 303.427 3.978 40 0 DHABHN COCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000008469119 563643508 /nfs/dbraw/zinc/64/35/08/563643508.db2.gz RGUWNPWJCDVXSE-UHFFFAOYSA-N 0 3 305.805 3.655 40 0 DHABHN Cc1ccc(CN2CC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)o1 ZINC000049169931 563701038 /nfs/dbraw/zinc/70/10/38/563701038.db2.gz CXUACMPDKVXMAX-INIZCTEOSA-N 0 3 323.396 3.936 40 0 biogenic,in-vitro DHABHN COc1cc(C=O)ccc1OCCCN1[C@@H](C)CCC[C@@H]1C ZINC000217791105 563714786 /nfs/dbraw/zinc/71/47/86/563714786.db2.gz FAIPTXGOFBMLBZ-GJZGRUSLSA-N 0 3 305.418 3.540 40 0 DHABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000248157145 563783041 /nfs/dbraw/zinc/78/30/41/563783041.db2.gz VXWFTHKDKWPKSE-RTWAWAEBSA-N 0 3 324.443 3.674 40 0 DHABHN Cc1cncc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)n1 ZINC000257220591 563790846 /nfs/dbraw/zinc/79/08/46/563790846.db2.gz DLHTXEXGWFPAAP-UHFFFAOYSA-N 0 3 306.413 3.646 40 0 DHABHN Cc1csc(-c2cc([C@H]3CCCN(C(C)C)C3)nc(C)n2)n1 ZINC000257232383 563791726 /nfs/dbraw/zinc/79/17/26/563791726.db2.gz GKRGUGMRNJSHRG-AWEZNQCLSA-N 0 3 316.474 3.805 40 0 DHABHN Brc1ccc([C@@H]2C[C@H]2CN2CCSCC2)cc1 ZINC000575424331 563857166 /nfs/dbraw/zinc/85/71/66/563857166.db2.gz ZFJMTEABFKBRAP-JSGCOSHPSA-N 0 3 312.276 3.601 40 0 DHABHN CC(=O)Nc1cccc(Oc2ccc([C@H]3CCCCN3)cn2)c1 ZINC000072383142 191143836 /nfs/dbraw/zinc/14/38/36/191143836.db2.gz DTFBAZMOIVTLJP-QGZVFWFLSA-N 0 3 311.385 3.647 40 0 DHABHN CCOC(=O)[C@@H]1CN[C@H](c2ccccc2)C[C@@H]1c1ccccc1 ZINC000003845404 181048734 /nfs/dbraw/zinc/04/87/34/181048734.db2.gz VRGSYPCBWQRFQZ-QRVBRYPASA-N 0 3 309.409 3.684 40 0 DHABHN CCCOc1cc(C)c(C(=O)O[C@H](C)CN2CCCC2)c(C)c1 ZINC000005560736 181257750 /nfs/dbraw/zinc/25/77/50/181257750.db2.gz ZVYFJIBPPYCIQV-MRXNPFEDSA-N 0 3 319.445 3.733 40 0 DHABHN CCOCCN(CC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005699558 181274011 /nfs/dbraw/zinc/27/40/11/181274011.db2.gz AYGOMERSBRPVHA-VQTJNVASSA-N 0 3 313.441 3.820 40 0 DHABHN CCOc1cc(CNC[C@@H]2CCCO2)ccc1OC1CCCC1 ZINC000225158053 201689104 /nfs/dbraw/zinc/68/91/04/201689104.db2.gz AWPLRKNXUDOROE-KRWDZBQOSA-N 0 3 319.445 3.675 40 0 DHABHN Fc1ccccc1COc1ccccc1CNC[C@@H]1CCCO1 ZINC000016449644 182044878 /nfs/dbraw/zinc/04/48/78/182044878.db2.gz JJTVJSAJGMMLAR-KRWDZBQOSA-N 0 3 315.388 3.673 40 0 DHABHN CN(Cc1ccccc1)c1ccc([C@H](N)c2ccccc2)cn1 ZINC000072225377 257123523 /nfs/dbraw/zinc/12/35/23/257123523.db2.gz AOCQHALEMZLCDK-HXUWFJFHSA-N 0 3 303.409 3.766 40 0 DHABHN COc1cc(CCNCc2ccccc2F)c(OC)cc1Cl ZINC000299817076 533767107 /nfs/dbraw/zinc/76/71/07/533767107.db2.gz AHIUIEOLKNDLSC-UHFFFAOYSA-N 0 3 323.795 3.829 40 0 in-vitro DHABHN Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1CN(C)C ZINC000000150210 563224551 /nfs/dbraw/zinc/22/45/51/563224551.db2.gz MBCURXHJWNCGCZ-UHFFFAOYSA-N 0 3 308.381 3.690 40 0 DHABHN O=C(OCCN1CCCC1)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001712584 563293172 /nfs/dbraw/zinc/29/31/72/563293172.db2.gz WBSQBCKCXJYLSQ-RBUKOAKNSA-N 0 3 313.441 3.766 40 0 DHABHN CC[C@@H](C)[C@@H](C(=O)OC1CCN(CC)CC1)c1ccccc1 ZINC000001726500 563293983 /nfs/dbraw/zinc/29/39/83/563293983.db2.gz UBWAHRVZHIOXEQ-CRAIPNDOSA-N 0 3 303.446 3.844 40 0 DHABHN O=C(NCc1ccccc1CN1CCCCC1)C1CCCCC1 ZINC000007849899 563342798 /nfs/dbraw/zinc/34/27/98/563342798.db2.gz ZEDJRHFAMRFHGY-UHFFFAOYSA-N 0 3 314.473 3.869 40 0 DHABHN CN(Cc1ccccc1)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000010337502 563356306 /nfs/dbraw/zinc/35/63/06/563356306.db2.gz AWZAMUFOUDDJMG-UHFFFAOYSA-N 0 3 308.425 3.555 40 0 DHABHN CCOCC[C@H]1CCOC12CCN(Cc1ccsc1)CC2 ZINC000585105223 563517109 /nfs/dbraw/zinc/51/71/09/563517109.db2.gz QVCPRTOVKITGNS-INIZCTEOSA-N 0 3 309.475 3.546 40 0 DHABHN C[C@@H](N[C@H]1COCC[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 ZINC000095951576 563531271 /nfs/dbraw/zinc/53/12/71/563531271.db2.gz SRTUKJZRWWXNMC-RDMFCOIFSA-N 0 3 323.436 3.571 40 0 DHABHN c1ccc([C@H]2CO[C@@]3(C2)CCCN(Cc2ccncc2)C3)cc1 ZINC000096073458 563533581 /nfs/dbraw/zinc/53/35/81/563533581.db2.gz QJMNXUCVMXNXRP-WOJBJXKFSA-N 0 3 308.425 3.620 40 0 DHABHN Cc1ccc(CN2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)o1 ZINC000096215869 563535755 /nfs/dbraw/zinc/53/57/55/563535755.db2.gz JYTDMDGMDZPZMS-LJQANCHMSA-N 0 3 314.429 3.669 40 0 DHABHN CC(C)N(C)Cc1cncc2c1CCN(Cc1cccs1)C2 ZINC000096189463 563535803 /nfs/dbraw/zinc/53/58/03/563535803.db2.gz UVZMKQVQUJGSBY-UHFFFAOYSA-N 0 3 315.486 3.542 40 0 DHABHN c1ccc(COc2ccc(CNCc3ccncc3)cc2)cc1 ZINC000008436057 563643546 /nfs/dbraw/zinc/64/35/46/563643546.db2.gz QVDMIJNZTZKLPP-UHFFFAOYSA-N 0 3 304.393 3.950 40 0 DHABHN c1ccc(CO[C@@H]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC000257241573 563791660 /nfs/dbraw/zinc/79/16/60/563791660.db2.gz HYOXSTKPSGLMMS-PMOLBWCYSA-N 0 3 308.425 3.509 40 0 DHABHN Cc1ccc2nc(-c3ccc(Br)cc3)c(CN)n2c1 ZINC000002510966 563913764 /nfs/dbraw/zinc/91/37/64/563913764.db2.gz HCJXWELLBLYABJ-UHFFFAOYSA-N 0 3 316.202 3.531 40 0 DHABHN C[C@@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000079438543 185171415 /nfs/dbraw/zinc/17/14/15/185171415.db2.gz CPRORZXBJYSPNC-CABCVRRESA-N 0 3 319.449 3.522 40 0 DHABHN CN1CCC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000082336884 185176334 /nfs/dbraw/zinc/17/63/34/185176334.db2.gz XBXBPBIKAVKZHD-OAHLLOKOSA-N 0 3 310.397 3.759 40 0 DHABHN C[C@H](COC(=O)[C@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)N1CCCC1 ZINC000004411192 181107713 /nfs/dbraw/zinc/10/77/13/181107713.db2.gz XMEWHLNQVHUJQI-XWSJACJDSA-N 0 3 317.473 3.953 40 0 DHABHN c1csc(C[C@@H]2CCN(Cc3ccc4ncccc4c3)C2)n1 ZINC000257301107 203026433 /nfs/dbraw/zinc/02/64/33/203026433.db2.gz RXAGYVQUHXDIOI-HNNXBMFYSA-N 0 3 309.438 3.756 40 0 DHABHN Cc1ncsc1CN1CCC[C@H](Cc2cccc(C)n2)C1 ZINC000257277373 203006813 /nfs/dbraw/zinc/00/68/13/203006813.db2.gz NXSOXVHHAKFKJN-OAHLLOKOSA-N 0 3 301.459 3.610 40 0 DHABHN O=C(c1ccc(F)cc1)N1CCC(c2cc3c[nH]ccc-3n2)CC1 ZINC000019331937 182116434 /nfs/dbraw/zinc/11/64/34/182116434.db2.gz IDYJMJVUSFQEFW-UHFFFAOYSA-N 0 3 323.371 3.722 40 0 DHABHN O=C(c1ccc(F)cc1)N1CCC(c2cc3cnccc3[nH]2)CC1 ZINC000019331937 182116435 /nfs/dbraw/zinc/11/64/35/182116435.db2.gz IDYJMJVUSFQEFW-UHFFFAOYSA-N 0 3 323.371 3.722 40 0 DHABHN COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2cccnc2)c1 ZINC000019565989 182130420 /nfs/dbraw/zinc/13/04/20/182130420.db2.gz XAGFKPXRNZMYRL-FUHIMQAGSA-N 0 3 324.424 3.522 40 0 DHABHN Cc1cc(C)n(C2CCN(Cc3ccc4ccccc4n3)CC2)n1 ZINC000019656879 182134268 /nfs/dbraw/zinc/13/42/68/182134268.db2.gz VXULGSQUPDZVRF-UHFFFAOYSA-N 0 3 320.440 3.885 40 0 DHABHN CN(C)CCNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022075456 182307634 /nfs/dbraw/zinc/30/76/34/182307634.db2.gz AHQQALWBMMTJDF-UHFFFAOYSA-N 0 3 318.848 3.570 40 0 DHABHN Cc1cccc(CN2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000039757227 183021467 /nfs/dbraw/zinc/02/14/67/183021467.db2.gz ZUHHMXIMIJBRNJ-UHFFFAOYSA-N 0 3 314.473 3.610 40 0 DHABHN Cc1cc(N2CCN(C(C)C)CC2)ncc1SC(C)(C)C ZINC000072223719 257123379 /nfs/dbraw/zinc/12/33/79/257123379.db2.gz KFXKVALXUXVQSB-UHFFFAOYSA-N 0 3 307.507 3.811 40 0 DHABHN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1)C1CC1 ZINC000072215395 257125893 /nfs/dbraw/zinc/12/58/93/257125893.db2.gz INBLUKWKLVJCOR-OAHLLOKOSA-N 0 3 317.433 3.800 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 ZINC000072214630 257126333 /nfs/dbraw/zinc/12/63/33/257126333.db2.gz MAVXDAVVUBXLQX-AWEZNQCLSA-N 0 3 305.422 3.658 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 ZINC000072214811 257126661 /nfs/dbraw/zinc/12/66/61/257126661.db2.gz SMFZVSCHKJXFML-CQSZACIVSA-N 0 3 305.422 3.658 40 0 DHABHN C[C@@H](c1ccc(Cl)cc1)N(CCN(C)C)c1ccccn1 ZINC000001587109 563286111 /nfs/dbraw/zinc/28/61/11/563286111.db2.gz VNOZVPYTFVZKPD-AWEZNQCLSA-N 0 3 303.837 3.864 40 0 DHABHN COCC[C@@H]1Cn2cccc2CN(Cc2sccc2C)C1 ZINC000585095465 563516031 /nfs/dbraw/zinc/51/60/31/563516031.db2.gz SEPKWYMQIPMNMZ-HNNXBMFYSA-N 0 3 304.459 3.527 40 0 DHABHN CN(C)CCOc1c(Cc2ccccc2)ccc2cccnc21 ZINC000001700028 563292042 /nfs/dbraw/zinc/29/20/42/563292042.db2.gz OCXUKPCGMRQVOM-UHFFFAOYSA-N 0 3 306.409 3.766 40 0 DHABHN Fc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccncc2)cc1 ZINC000012085368 563361966 /nfs/dbraw/zinc/36/19/66/563361966.db2.gz VQWMKTDYCZUVSX-HHXXYDBFSA-N 0 3 312.388 3.653 40 0 DHABHN Cc1nn(Cc2ccccc2)c(C)c1/C=C/C1=CCN(C)CC1 ZINC000012143034 563362554 /nfs/dbraw/zinc/36/25/54/563362554.db2.gz YMOJNDNHENSGAV-MDZDMXLPSA-N 0 3 307.441 3.823 40 0 DHABHN CC(C)(C)OC(=O)N1CCC(CNCc2ccccc2F)CC1 ZINC000089212597 563484660 /nfs/dbraw/zinc/48/46/60/563484660.db2.gz QRRAXGTXVFYGOB-UHFFFAOYSA-N 0 3 322.424 3.562 40 0 DHABHN COCC[C@H]1Cn2cccc2CN(Cc2ccc(C)s2)C1 ZINC000585094660 563515876 /nfs/dbraw/zinc/51/58/76/563515876.db2.gz RVEOTJGUXUKPEF-OAHLLOKOSA-N 0 3 304.459 3.527 40 0 DHABHN O=C1CC[C@]2(CCCN(Cc3ccsc3)CC2)N1CC1CC1 ZINC000096217939 563535644 /nfs/dbraw/zinc/53/56/44/563535644.db2.gz QAAVJNUUGXNUHR-SFHVURJKSA-N 0 3 318.486 3.505 40 0 DHABHN CCN(CC)C(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000000785843 563611539 /nfs/dbraw/zinc/61/15/39/563611539.db2.gz UDZIPAMFSWHTGS-UHFFFAOYSA-N 0 3 316.489 3.890 40 0 DHABHN CCCOc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C ZINC000095095417 563653720 /nfs/dbraw/zinc/65/37/20/563653720.db2.gz KBOMOUWNUBDYLU-AWEZNQCLSA-N 0 3 301.390 3.567 40 0 DHABHN CCOc1cc(C=O)ccc1OCCN1[C@@H](C)CCC[C@@H]1C ZINC000217789454 563714673 /nfs/dbraw/zinc/71/46/73/563714673.db2.gz UWWNHWFBMMLTNM-GJZGRUSLSA-N 0 3 305.418 3.540 40 0 DHABHN CC(C)(C)CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225905019 563767304 /nfs/dbraw/zinc/76/73/04/563767304.db2.gz IQWZSYOPKQLFJY-OAHLLOKOSA-N 0 3 322.880 3.714 40 0 DHABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000248157140 563782966 /nfs/dbraw/zinc/78/29/66/563782966.db2.gz VXWFTHKDKWPKSE-NHCUHLMSSA-N 0 3 324.443 3.674 40 0 DHABHN Cc1cncc(C2CCN(Cc3ccnc4ccccc34)CC2)n1 ZINC000257209480 563790034 /nfs/dbraw/zinc/79/00/34/563790034.db2.gz BQOCWEBYSBZJRK-UHFFFAOYSA-N 0 3 318.424 3.713 40 0 DHABHN CCN(Cc1ccccc1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695671 563922845 /nfs/dbraw/zinc/92/28/45/563922845.db2.gz VVNGOLRQRXROGS-IBGZPJMESA-N 0 3 314.473 3.832 40 0 DHABHN c1ccc(Oc2cncc(N3CC[C@]4(C[C@H]5CCN4C5)C3)c2)cc1 ZINC000079042115 185148164 /nfs/dbraw/zinc/14/81/64/185148164.db2.gz ZJUHPOJXMRRNNF-UZLBHIALSA-N 0 3 321.424 3.548 40 0 DHABHN Cc1csc([N-]c2nccnc2[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072363470 191133414 /nfs/dbraw/zinc/13/34/14/191133414.db2.gz HVDFUVYKZMETBM-ZDUSSCGKSA-N 0 3 317.462 3.573 40 0 DHABHN Cc1csc([N-]c2nccnc2[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072363470 191133416 /nfs/dbraw/zinc/13/34/16/191133416.db2.gz HVDFUVYKZMETBM-ZDUSSCGKSA-N 0 3 317.462 3.573 40 0 DHABHN CC(C)(C)CN1CCC[C@H]1c1cccc(Nc2ncccn2)n1 ZINC000072375162 191139972 /nfs/dbraw/zinc/13/99/72/191139972.db2.gz AIYSPHKGZCPQLT-HNNXBMFYSA-N 0 3 311.433 3.798 40 0 DHABHN CN1CCC(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000074921074 191388718 /nfs/dbraw/zinc/38/87/18/191388718.db2.gz WAIJXYZNZQMMDK-UHFFFAOYSA-N 0 3 301.217 3.664 40 0 DHABHN Cc1ccc(CN(C)C(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000030847932 182599059 /nfs/dbraw/zinc/59/90/59/182599059.db2.gz ILACWXOZYPBVRU-UHFFFAOYSA-N 0 3 322.452 3.863 40 0 DHABHN CC(C)N1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214377 257126123 /nfs/dbraw/zinc/12/61/23/257126123.db2.gz HCOGKJUYLVXCNG-CQSZACIVSA-N 0 3 305.422 3.974 40 0 DHABHN CC[C@H]1CCCCN1CCCOc1c(C=O)cccc1OC ZINC000008731542 563644234 /nfs/dbraw/zinc/64/42/34/563644234.db2.gz DOEZLIPWEGLPHN-INIZCTEOSA-N 0 3 305.418 3.541 40 0 DHABHN CC(C)(CO)NCc1ccccc1OCc1ccccc1Cl ZINC000006883188 563334525 /nfs/dbraw/zinc/33/45/25/563334525.db2.gz QAOGTFYXVTXHPF-UHFFFAOYSA-N 0 3 319.832 3.780 40 0 DHABHN CCOCC[C@@H]1CCOC12CCN(Cc1ccc(C)s1)CC2 ZINC000585104670 563516985 /nfs/dbraw/zinc/51/69/85/563516985.db2.gz KTQZAOGTXCAOEY-MRXNPFEDSA-N 0 3 323.502 3.854 40 0 DHABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 ZINC000096058414 563532729 /nfs/dbraw/zinc/53/27/29/563532729.db2.gz AXBXJEBMMWIAMQ-RBUKOAKNSA-N 0 3 312.482 3.596 40 0 DHABHN CCN1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1 ZINC000096086953 563533491 /nfs/dbraw/zinc/53/34/91/563533491.db2.gz WXYRYPZQQXEHMR-UHFFFAOYSA-N 0 3 312.442 3.657 40 0 DHABHN Cc1nc(-c2cccc(F)c2)nc2c1CN(CCC(C)C)CC2 ZINC000096253956 563536219 /nfs/dbraw/zinc/53/62/19/563536219.db2.gz SPLSJCQLOCEZTK-UHFFFAOYSA-N 0 3 313.420 3.995 40 0 DHABHN COc1cccc(CNC2CC2)c1OCc1ccc(F)cc1 ZINC000008495356 563643047 /nfs/dbraw/zinc/64/30/47/563643047.db2.gz UQIZEOOBECYJBN-UHFFFAOYSA-N 0 3 301.361 3.665 40 0 DHABHN Cc1ncc2cncc(C3CCN(Cc4ccccc4F)CC3)n12 ZINC000257210246 563789945 /nfs/dbraw/zinc/78/99/45/563789945.db2.gz BTTZTUKWHDRGPJ-UHFFFAOYSA-N 0 3 324.403 3.556 40 0 DHABHN CCCCc1ncc(CN2CCC[C@H](c3nccs3)C2)[nH]1 ZINC000257228772 563790977 /nfs/dbraw/zinc/79/09/77/563790977.db2.gz FVDURGWMSZKENI-ZDUSSCGKSA-N 0 3 304.463 3.588 40 0 DHABHN CCCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCN2)n1 ZINC000256054258 1019707619 /nfs/dbraw/zinc/70/76/19/1019707619.db2.gz VPYMCSCAYLSONQ-ZDUSSCGKSA-N 0 3 321.808 3.993 40 0 DHABHN CC(=O)Nc1cccc(Oc2ccc([C@@H]3CCCCN3)cn2)c1 ZINC000072383141 191143499 /nfs/dbraw/zinc/14/34/99/191143499.db2.gz DTFBAZMOIVTLJP-KRWDZBQOSA-N 0 3 311.385 3.647 40 0 DHABHN Cc1cc(C[C@@H]2CCC[C@H]2NCc2cccc(F)c2F)on1 ZINC000072395108 191149261 /nfs/dbraw/zinc/14/92/61/191149261.db2.gz FKTFVKJIWFLING-BLLLJJGKSA-N 0 3 306.356 3.762 40 0 DHABHN C[C@H](COC(=O)[C@@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)N1CCCC1 ZINC000004411194 181107388 /nfs/dbraw/zinc/10/73/88/181107388.db2.gz XMEWHLNQVHUJQI-YDZRNGNQSA-N 0 3 317.473 3.953 40 0 DHABHN CCN(CC)CCN(C(=O)C(C)C)c1nc2ccccc2s1 ZINC000004585316 181127326 /nfs/dbraw/zinc/12/73/26/181127326.db2.gz OXTMYYIWVYESMC-UHFFFAOYSA-N 0 3 319.474 3.627 40 0 DHABHN CCCC(CCC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004866621 181165842 /nfs/dbraw/zinc/16/58/42/181165842.db2.gz KOBBXTNLFUYMAG-UHFFFAOYSA-N 0 3 316.489 3.984 40 0 DHABHN CN(C)Cc1cccc(C(F)(F)F)c1[C@@H](O)c1ccccc1 ZINC000005599730 181262351 /nfs/dbraw/zinc/26/23/51/181262351.db2.gz VIIGQOVLVXXHSL-INIZCTEOSA-N 0 3 309.331 3.849 40 0 DHABHN O[C@@H](CN1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000006584533 181357268 /nfs/dbraw/zinc/35/72/68/181357268.db2.gz LVJSAEQFGSKBLO-NRFANRHFSA-N 0 3 303.405 3.932 40 0 DHABHN Cc1ncsc1CN1CCC[C@@H](Cc2cccc(C)n2)C1 ZINC000257277372 203007141 /nfs/dbraw/zinc/00/71/41/203007141.db2.gz NXSOXVHHAKFKJN-HNNXBMFYSA-N 0 3 301.459 3.610 40 0 DHABHN Fc1ccccc1COc1ccccc1CNC[C@H]1CCCO1 ZINC000016449646 182045255 /nfs/dbraw/zinc/04/52/55/182045255.db2.gz JJTVJSAJGMMLAR-QGZVFWFLSA-N 0 3 315.388 3.673 40 0 DHABHN COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)c1 ZINC000019565992 182130578 /nfs/dbraw/zinc/13/05/78/182130578.db2.gz XAGFKPXRNZMYRL-SQGPQFPESA-N 0 3 324.424 3.522 40 0 DHABHN CN(Cc1ccccc1)c1ccc([C@@H](N)c2ccccc2)cn1 ZINC000072225378 257123506 /nfs/dbraw/zinc/12/35/06/257123506.db2.gz AOCQHALEMZLCDK-FQEVSTJZSA-N 0 3 303.409 3.766 40 0 DHABHN CCOc1cc(C=O)ccc1OCCN1[C@H](C)CCC[C@H]1C ZINC000217789626 563714578 /nfs/dbraw/zinc/71/45/78/563714578.db2.gz UWWNHWFBMMLTNM-HUUCEWRRSA-N 0 3 305.418 3.540 40 0 DHABHN CN(C)Cc1c(OC(=O)c2ccc(N)cc2)ccc2ccccc21 ZINC000001688835 563291226 /nfs/dbraw/zinc/29/12/26/563291226.db2.gz NEWNVIKFDTUAHW-UHFFFAOYSA-N 0 3 320.392 3.703 40 0 DHABHN Fc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2)cc1 ZINC000012085369 563361764 /nfs/dbraw/zinc/36/17/64/563361764.db2.gz VQWMKTDYCZUVSX-KVSKMBFKSA-N 0 3 312.388 3.653 40 0 DHABHN COc1ccc(C2(NCc3cc4c(cc3C)OCO4)CC2)cc1 ZINC000012361913 563367270 /nfs/dbraw/zinc/36/72/70/563367270.db2.gz USKZDGUGGYTQCK-UHFFFAOYSA-N 0 3 311.381 3.511 40 0 DHABHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000044790122 563462463 /nfs/dbraw/zinc/46/24/63/563462463.db2.gz GYPZEYWXRZTKMK-GDBMZVCRSA-N 0 3 322.880 3.857 40 0 DHABHN c1cc(CN2CCC3(CO[C@H](COCC4CC4)C3)CC2)cs1 ZINC000096105965 563533174 /nfs/dbraw/zinc/53/31/74/563533174.db2.gz JZLLFOYLRNKGDX-KRWDZBQOSA-N 0 3 321.486 3.546 40 0 DHABHN c1ccc([C@@H]2CO[C@@]3(C2)CCCN(Cc2ccncc2)C3)cc1 ZINC000096073459 563533610 /nfs/dbraw/zinc/53/36/10/563533610.db2.gz QJMNXUCVMXNXRP-VQTJNVASSA-N 0 3 308.425 3.620 40 0 DHABHN c1cc(CN2CC[C@@]3(C2)CCCN(c2ccccn2)C3)cs1 ZINC000096216633 563535397 /nfs/dbraw/zinc/53/53/97/563535397.db2.gz YSMUSOLMXQKXMV-GOSISDBHSA-N 0 3 313.470 3.636 40 0 DHABHN CC(C)c1ccc2[nH]c(=O)c(CNCc3ccccc3)cc2c1 ZINC000013998435 563549387 /nfs/dbraw/zinc/54/93/87/563549387.db2.gz XYAALAPOJRDANA-UHFFFAOYSA-N 0 3 306.409 3.941 40 0 DHABHN COc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000010372386 563648610 /nfs/dbraw/zinc/64/86/10/563648610.db2.gz AYMRHWHNFLKJRO-UHFFFAOYSA-N 0 3 310.397 3.543 40 0 DHABHN Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccco4)C3)o2)cc1 ZINC000049169917 563700739 /nfs/dbraw/zinc/70/07/39/563700739.db2.gz WDROMRXKPJEXPW-HNNXBMFYSA-N 0 3 309.369 3.628 40 0 biogenic,in-vitro DHABHN CC(C)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000225229238 563750399 /nfs/dbraw/zinc/75/03/99/563750399.db2.gz KNIMVCDNUSUQTQ-GOEBONIOSA-N 0 3 322.880 3.713 40 0 DHABHN CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C)n1 ZINC000329025754 563833927 /nfs/dbraw/zinc/83/39/27/563833927.db2.gz PIOGSKHQXZAQKT-UONOGXRCSA-N 0 3 310.445 3.947 40 0 DHABHN CCN(Cc1ccccc1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695672 563922786 /nfs/dbraw/zinc/92/27/86/563922786.db2.gz VVNGOLRQRXROGS-LJQANCHMSA-N 0 3 314.473 3.832 40 0 DHABHN CC[C@H](C)Oc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C ZINC000095095426 563930880 /nfs/dbraw/zinc/93/08/80/563930880.db2.gz WACWLENGESNBKY-DZGCQCFKSA-N 0 3 315.417 3.955 40 0 DHABHN CC[C@@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C ZINC000095095423 563930905 /nfs/dbraw/zinc/93/09/05/563930905.db2.gz WACWLENGESNBKY-HIFRSBDPSA-N 0 3 315.417 3.955 40 0 DHABHN Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2cccs2)n1 ZINC000072355427 191129231 /nfs/dbraw/zinc/12/92/31/191129231.db2.gz BNWAUIWOIKFTPW-KRWDZBQOSA-N 0 3 324.453 3.974 40 0 DHABHN CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359280 191130998 /nfs/dbraw/zinc/13/09/98/191130998.db2.gz MBBDDGBSUPFRHX-ZDUSSCGKSA-N 0 3 321.346 3.972 40 0 DHABHN C[C@@H](COC(=O)[C@@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)N1CCCC1 ZINC000004411193 181107668 /nfs/dbraw/zinc/10/76/68/181107668.db2.gz XMEWHLNQVHUJQI-CADBVGFASA-N 0 3 317.473 3.953 40 0 DHABHN CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C[C@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004862832 181165047 /nfs/dbraw/zinc/16/50/47/181165047.db2.gz IUQYLYYXKZJRJM-ADHGMGHFSA-N 0 3 307.478 3.676 40 0 DHABHN CN1CCC(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000074921076 191388533 /nfs/dbraw/zinc/38/85/33/191388533.db2.gz NCUITKDVZYFWQR-UHFFFAOYSA-N 0 3 301.217 3.664 40 0 DHABHN CN(C)C[C@@](C)(Oc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000006491038 181345050 /nfs/dbraw/zinc/34/50/50/181345050.db2.gz OAOXFBKCIVXOJX-GOSISDBHSA-N 0 3 317.816 3.922 40 0 DHABHN C[C@](CN1CCCC1)(Oc1ccccc1)C(=O)c1ccccc1 ZINC000006491041 181345259 /nfs/dbraw/zinc/34/52/59/181345259.db2.gz UAQAYRICCZLYQR-HXUWFJFHSA-N 0 3 309.409 3.803 40 0 DHABHN c1cc(CN2CCC3(CO[C@@H](COCC4CC4)C3)CC2)cs1 ZINC000096105964 193539400 /nfs/dbraw/zinc/53/94/00/193539400.db2.gz JZLLFOYLRNKGDX-QGZVFWFLSA-N 0 3 321.486 3.546 40 0 DHABHN CC1CCN(Cc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)CC1 ZINC000020452821 182218695 /nfs/dbraw/zinc/21/86/95/182218695.db2.gz CEQORBVDFWFPFW-KRWDZBQOSA-N 0 3 314.473 3.791 40 0 DHABHN CC(C)N1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214318 257125875 /nfs/dbraw/zinc/12/58/75/257125875.db2.gz NCJXSRCIXZWBJY-AWEZNQCLSA-N 0 3 305.422 3.974 40 0 DHABHN CCCN1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214500 257126675 /nfs/dbraw/zinc/12/66/75/257126675.db2.gz IBWUMXOEODCTMY-HNNXBMFYSA-N 0 3 319.449 4.000 40 0 DHABHN C[C@@H](NC(=O)C(C)(C)N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000237481985 525053635 /nfs/dbraw/zinc/05/36/35/525053635.db2.gz FNERALZSGWWYDO-GFCCVEGCSA-N 0 3 316.376 3.533 40 0 DHABHN C[C@H](c1ccc(Cl)cc1)N(CCN(C)C)c1ccccn1 ZINC000001587110 563286097 /nfs/dbraw/zinc/28/60/97/563286097.db2.gz VNOZVPYTFVZKPD-CQSZACIVSA-N 0 3 303.837 3.864 40 0 DHABHN CCN(CC)CCOC(=O)C1c2ccccc2-c2ccccc21 ZINC000001667645 563290076 /nfs/dbraw/zinc/29/00/76/563290076.db2.gz SHLRAXTXBZMDPP-UHFFFAOYSA-N 0 3 309.409 3.684 40 0 DHABHN Cc1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1 ZINC000067802646 563333728 /nfs/dbraw/zinc/33/37/28/563333728.db2.gz CUXJJLKLYBVWBH-UHFFFAOYSA-N 0 3 322.424 3.623 40 0 DHABHN Cc1ccc(CN2CCC3(CCN(CC(C)C)C3=O)CC2)s1 ZINC000096046768 563532177 /nfs/dbraw/zinc/53/21/77/563532177.db2.gz RZZGCXLKAZLXFH-UHFFFAOYSA-N 0 3 320.502 3.527 40 0 DHABHN Cc1ccc(CN2CCC[C@]3(CCN(Cc4ccco4)C3)C2)o1 ZINC000096215865 563535445 /nfs/dbraw/zinc/53/54/45/563535445.db2.gz JYTDMDGMDZPZMS-IBGZPJMESA-N 0 3 314.429 3.669 40 0 DHABHN Cc1oc2ccccc2c1CN(CCO)Cc1cccs1 ZINC000013997488 563548309 /nfs/dbraw/zinc/54/83/09/563548309.db2.gz PKFJJMXLQFFVQL-UHFFFAOYSA-N 0 3 301.411 3.797 40 0 DHABHN c1csc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107751964 563567158 /nfs/dbraw/zinc/56/71/58/563567158.db2.gz JHDIDDVJHZMBTB-ROUUACIJSA-N 0 3 321.486 3.546 40 0 DHABHN CNCc1cc(Br)ccc1OCc1ccccc1F ZINC000008377374 563642163 /nfs/dbraw/zinc/64/21/63/563642163.db2.gz UOILAOYLLOWTLI-UHFFFAOYSA-N 0 3 324.193 3.887 40 0 DHABHN CCOc1cc(C=O)ccc1OCCCN1CCCC[C@@H]1CC ZINC000008731540 563644328 /nfs/dbraw/zinc/64/43/28/563644328.db2.gz IPQBYUCPQQDSAF-KRWDZBQOSA-N 0 3 319.445 3.931 40 0 DHABHN CCn1c(CNCc2ccc(OC)cc2)ccc1Cc1ccco1 ZINC000226021671 563767544 /nfs/dbraw/zinc/76/75/44/563767544.db2.gz PGXTZHLUSHFYEY-UHFFFAOYSA-N 0 3 324.424 3.990 40 0 DHABHN Cc1cc2cc(CNCc3ccccc3)c(=O)[nH]c2cc1Cl ZINC000012493139 563928738 /nfs/dbraw/zinc/92/87/38/563928738.db2.gz XAGMXIAJUDODSO-UHFFFAOYSA-N 0 3 312.800 3.780 40 0 DHABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2ccccc2c1 ZINC000008300450 565095311 /nfs/dbraw/zinc/09/53/11/565095311.db2.gz HHOVJIACWDUNEP-ZAAXVRCTSA-N 0 3 322.452 3.690 40 0 biogenic,in-vitro DHABHN CCCNC(=O)Oc1c(C)cc(C)cc1CN1CCCCC1 ZINC000255189842 568417106 /nfs/dbraw/zinc/41/71/06/568417106.db2.gz SMKUZHWBTYIEBF-UHFFFAOYSA-N 0 3 304.434 3.788 40 0 DHABHN CC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCC1 ZINC000225596632 186281775 /nfs/dbraw/zinc/28/17/75/186281775.db2.gz GDJOMZLRHRKJSD-UHFFFAOYSA-N 0 3 316.445 3.680 40 0 DHABHN CN(Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccncc1 ZINC000072397101 191149853 /nfs/dbraw/zinc/14/98/53/191149853.db2.gz XPJATPVRIJFDDG-UHFFFAOYSA-N 0 3 318.380 3.850 40 0 DHABHN CCOc1ccc(C(=O)CCN2CCCCCC2)cc1OCC ZINC000005316953 181229069 /nfs/dbraw/zinc/22/90/69/181229069.db2.gz UZQLEKMLFCGKPH-UHFFFAOYSA-N 0 3 319.445 3.933 40 0 DHABHN CC[C@H](OC[C@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1 ZINC000006355959 181333742 /nfs/dbraw/zinc/33/37/42/181333742.db2.gz QPXDBTYBCYZQBM-DBVUQKKJSA-N 0 3 313.441 3.866 40 0 DHABHN Cc1nc(Nc2cccc(C3CCN(C)CC3)n2)sc1C ZINC000257273226 203002234 /nfs/dbraw/zinc/00/22/34/203002234.db2.gz NFTHOINYNSSURA-UHFFFAOYSA-N 0 3 302.447 3.708 40 0 DHABHN c1csc(C[C@@H]2CCN(Cc3ccnc4ccccc34)C2)n1 ZINC000257327303 203052013 /nfs/dbraw/zinc/05/20/13/203052013.db2.gz XAWNOMCPCIWYIO-AWEZNQCLSA-N 0 3 309.438 3.756 40 0 DHABHN Fc1ccccc1CN1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000257313509 203039242 /nfs/dbraw/zinc/03/92/42/203039242.db2.gz USWQNEPQEGHABZ-INIZCTEOSA-N 0 3 323.371 3.865 40 0 DHABHN CCOc1ccc2[nH]c(=O)c(CNCc3ccc(C)cc3)cc2c1 ZINC000013998773 181919009 /nfs/dbraw/zinc/91/90/09/181919009.db2.gz CXAUDYCWZXGJLQ-UHFFFAOYSA-N 0 3 322.408 3.525 40 0 DHABHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000017110328 182075791 /nfs/dbraw/zinc/07/57/91/182075791.db2.gz OVQQEGZJIGLKBO-AOESTNDXSA-N 0 3 321.420 3.861 40 0 DHABHN COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2)c1 ZINC000019566015 182130075 /nfs/dbraw/zinc/13/00/75/182130075.db2.gz BBTRJBRIOVGVLB-QKLQHJQFSA-N 0 3 324.424 3.522 40 0 DHABHN COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccncc2)c1 ZINC000019566013 182130123 /nfs/dbraw/zinc/13/01/23/182130123.db2.gz BBTRJBRIOVGVLB-UWVAXJGDSA-N 0 3 324.424 3.522 40 0 DHABHN CC(C)CCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020456797 182219572 /nfs/dbraw/zinc/21/95/72/182219572.db2.gz LCQFJTLXARLDDX-UHFFFAOYSA-N 0 3 302.462 3.694 40 0 DHABHN COc1ccc2ccccc2c1CNC[C@@H](O)c1ccccc1 ZINC000022076115 182308316 /nfs/dbraw/zinc/30/83/16/182308316.db2.gz NHKBCGFFWHWTST-LJQANCHMSA-N 0 3 307.393 3.672 40 0 DHABHN CN(C)CCN(Cc1cccs1)Cc1cc(F)cc(F)c1 ZINC000023247853 182355025 /nfs/dbraw/zinc/35/50/25/182355025.db2.gz MDFNSLFWNSCUDM-UHFFFAOYSA-N 0 3 310.413 3.590 40 0 DHABHN N[C@@H](c1ccccc1)c1ccc(N2CCc3ccccc32)nc1 ZINC000072225816 257123134 /nfs/dbraw/zinc/12/31/34/257123134.db2.gz KROXTSGXUOBERP-FQEVSTJZSA-N 0 3 301.393 3.824 40 0 DHABHN N[C@@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 ZINC000072225774 257123836 /nfs/dbraw/zinc/12/38/36/257123836.db2.gz CRSAWGDBPMTJRA-NRFANRHFSA-N 0 3 315.420 3.692 40 0 DHABHN CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072214453 257126613 /nfs/dbraw/zinc/12/66/13/257126613.db2.gz LCHWPDLITQNXHN-CQSZACIVSA-N 0 3 305.422 3.610 40 0 DHABHN CN[C@@H](c1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207677 257127860 /nfs/dbraw/zinc/12/78/60/257127860.db2.gz LPJBZPQJQRTGFC-HOTGVXAUSA-N 0 3 304.434 3.737 40 0 DHABHN CCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCN2)n1 ZINC000072209139 257128400 /nfs/dbraw/zinc/12/84/00/257128400.db2.gz WXNMVSLHKUKFJG-LBPRGKRZSA-N 0 3 307.781 3.603 40 0 DHABHN CC(C)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000260897714 563781514 /nfs/dbraw/zinc/78/15/14/563781514.db2.gz KNIMVCDNUSUQTQ-ZBFHGGJFSA-N 0 3 322.880 3.713 40 0 DHABHN CCN(CC)C[C@H](OC(=O)c1ccc(N)cc1)c1ccccc1 ZINC000001586350 563286126 /nfs/dbraw/zinc/28/61/26/563286126.db2.gz PEBXPUDNDKRUQN-SFHVURJKSA-N 0 3 312.413 3.509 40 0 DHABHN Cc1cc(OC(C)C)cc(C)c1C(=O)OC[C@@H](C)N1CCCC1 ZINC000001712572 563292508 /nfs/dbraw/zinc/29/25/08/563292508.db2.gz BRBLEMUGJBOMCV-MRXNPFEDSA-N 0 3 319.445 3.732 40 0 DHABHN CC(C)c1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000002694369 563311021 /nfs/dbraw/zinc/31/10/21/563311021.db2.gz RKIYHUWPPCZGFT-WMZOPIPTSA-N 0 3 313.441 3.901 40 0 DHABHN CC(C)c1ccccc1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000002694367 563311337 /nfs/dbraw/zinc/31/13/37/563311337.db2.gz RKIYHUWPPCZGFT-FUHWJXTLSA-N 0 3 313.441 3.901 40 0 DHABHN O=C(CNC1CCCC1)N1c2ccccc2CCc2ccccc21 ZINC000035311535 563331710 /nfs/dbraw/zinc/33/17/10/563331710.db2.gz XUOGEEDOITYVCO-UHFFFAOYSA-N 0 3 320.436 3.982 40 0 DHABHN Fc1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)cc1 ZINC000016399574 563412143 /nfs/dbraw/zinc/41/21/43/563412143.db2.gz VMRITMKYJJENJI-LJQANCHMSA-N 0 3 315.388 3.673 40 0 DHABHN CC1CCN(Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000035818571 563454008 /nfs/dbraw/zinc/45/40/08/563454008.db2.gz FCDWHUKZEOSNSX-UHFFFAOYSA-N 0 3 300.446 3.545 40 0 DHABHN CCOCC[C@@H]1CCOC12CCN(Cc1cccs1)CC2 ZINC000585105419 563516929 /nfs/dbraw/zinc/51/69/29/563516929.db2.gz WIBDREZXBBEBKB-OAHLLOKOSA-N 0 3 309.475 3.546 40 0 DHABHN NC[C@H](NC(=O)OCc1ccccc1)c1ccc2ccccc2c1 ZINC000096295489 563536203 /nfs/dbraw/zinc/53/62/03/563536203.db2.gz ODGSWXASIYSMHB-IBGZPJMESA-N 0 3 320.392 3.766 40 0 DHABHN CC(C)Cc1ncc(-c2cncc([C@H]3CCCN(C)C3)n2)s1 ZINC000585260977 563536312 /nfs/dbraw/zinc/53/63/12/563536312.db2.gz LCNMSMCCGZBYCX-ZDUSSCGKSA-N 0 3 316.474 3.608 40 0 DHABHN Cc1cc(N2CCNCC2)c2cccc(Oc3ccccc3)c2n1 ZINC000225322339 563752272 /nfs/dbraw/zinc/75/22/72/563752272.db2.gz MYRGWYKGNXGNHY-UHFFFAOYSA-N 0 3 319.408 3.745 40 0 DHABHN Cc1cncc(C2CCN(Cc3c[nH]c4ccccc34)CC2)n1 ZINC000257251710 563792214 /nfs/dbraw/zinc/79/22/14/563792214.db2.gz JRVWZFBNFLYIGE-UHFFFAOYSA-N 0 3 306.413 3.646 40 0 DHABHN Cc1nc(NC(C)C)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000328993050 563832718 /nfs/dbraw/zinc/83/27/18/563832718.db2.gz IYCXNQMDSXQBIX-UHFFFAOYSA-N 0 3 310.445 3.947 40 0 DHABHN Cc1nc(NC(C)C)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329024565 563833977 /nfs/dbraw/zinc/83/39/77/563833977.db2.gz PBBMJPNGOPBZOM-UHFFFAOYSA-N 0 3 310.445 3.903 40 0 DHABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2F)CC1 ZINC000255190164 568417125 /nfs/dbraw/zinc/41/71/25/568417125.db2.gz VJOIHOVMAVSBHN-SHTZXODSSA-N 0 3 322.424 3.751 40 0 DHABHN c1csc([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000092788737 185341402 /nfs/dbraw/zinc/34/14/02/185341402.db2.gz SSIFKBCLOCMUMT-MRXNPFEDSA-N 0 3 312.438 3.799 40 0 DHABHN Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2C(C)C)n1 ZINC000072360151 191130463 /nfs/dbraw/zinc/13/04/63/191130463.db2.gz ITPMPJKTVYWWJV-ZDUSSCGKSA-N 0 3 303.435 3.530 40 0 DHABHN Cc1nc(Nc2nccs2)cc([C@H]2CCCN2C(C)C)n1 ZINC000072360152 191131634 /nfs/dbraw/zinc/13/16/34/191131634.db2.gz ITPMPJKTVYWWJV-CYBMUJFWSA-N 0 3 303.435 3.530 40 0 DHABHN c1ccc2c(c1)cncc2C[C@H]1CCN(Cc2ccncc2)C1 ZINC000072367959 191137321 /nfs/dbraw/zinc/13/73/21/191137321.db2.gz CXZYEKBNQCPJBV-QGZVFWFLSA-N 0 3 303.409 3.694 40 0 DHABHN Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(C)C)C1 ZINC000072383514 191143814 /nfs/dbraw/zinc/14/38/14/191143814.db2.gz ZSOUVQTVDJWYPQ-HNNXBMFYSA-N 0 3 312.417 3.560 40 0 DHABHN CN1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000072792901 191228569 /nfs/dbraw/zinc/22/85/69/191228569.db2.gz CFSZPKZKXIKYBH-UHFFFAOYSA-N 0 3 324.424 3.546 40 0 DHABHN S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2C1CC1 ZINC000004856987 181163911 /nfs/dbraw/zinc/16/39/11/181163911.db2.gz RSUHUEUPLLOEOC-ZXFUBFMLSA-N 0 3 315.486 3.521 40 0 DHABHN c1csc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019343389 182117120 /nfs/dbraw/zinc/11/71/20/182117120.db2.gz PMLQNIZCWSWBAX-NSHDSACASA-N 0 3 317.439 3.849 40 0 DHABHN Fc1ccc([C@@H]2COC[C@H]2NCc2ccccc2Cl)cc1 ZINC000019349568 182117961 /nfs/dbraw/zinc/11/79/61/182117961.db2.gz KAAISBGMIYMFGJ-DOTOQJQBSA-N 0 3 305.780 3.751 40 0 DHABHN O=C(OCc1ccccc1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000039952199 183023977 /nfs/dbraw/zinc/02/39/77/183023977.db2.gz YEJYYIHYDOLTNI-IBGZPJMESA-N 0 3 324.424 3.577 40 0 DHABHN CCCN1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214319 257125891 /nfs/dbraw/zinc/12/58/91/257125891.db2.gz NFLSYUTZKQRFTB-CQSZACIVSA-N 0 3 305.422 3.976 40 0 DHABHN CCCN1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214380 257126162 /nfs/dbraw/zinc/12/61/62/257126162.db2.gz YAWHDDMFCOZZIY-AWEZNQCLSA-N 0 3 305.422 3.976 40 0 DHABHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000044790125 563462503 /nfs/dbraw/zinc/46/25/03/563462503.db2.gz GYPZEYWXRZTKMK-GOEBONIOSA-N 0 3 322.880 3.857 40 0 DHABHN CCOc1ccc(CNCc2ccc(F)cc2)cc1OCC ZINC000008324913 563345670 /nfs/dbraw/zinc/34/56/70/563345670.db2.gz IWFGTAZGNVDEJW-UHFFFAOYSA-N 0 3 303.377 3.913 40 0 DHABHN COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccccn2)c1 ZINC000012085263 563361664 /nfs/dbraw/zinc/36/16/64/563361664.db2.gz YBKLQPLDFPGHIL-OXFYSEKESA-N 0 3 324.424 3.522 40 0 DHABHN CO[C@@H]1CCN(Cc2scnc2C)C[C@@H]1Cc1ccccc1 ZINC000096110178 563533502 /nfs/dbraw/zinc/53/35/02/563533502.db2.gz MFPNBUVLKJQQBL-DLBZAZTESA-N 0 3 316.470 3.531 40 0 DHABHN Cn1c(CNC2CCCCC2)nnc1SCc1ccccc1 ZINC000005001653 563623731 /nfs/dbraw/zinc/62/37/31/563623731.db2.gz MLSNUBARLGORJD-UHFFFAOYSA-N 0 3 316.474 3.530 40 0 DHABHN COc1ccc(CCNCc2ccc3ccccc3n2)cc1OC ZINC000001718157 563634354 /nfs/dbraw/zinc/63/43/54/563634354.db2.gz WHQBOHYVTSHKSR-UHFFFAOYSA-N 0 3 322.408 3.584 40 0 DHABHN CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000225229206 563750500 /nfs/dbraw/zinc/75/05/00/563750500.db2.gz KNIMVCDNUSUQTQ-GDBMZVCRSA-N 0 3 322.880 3.713 40 0 DHABHN CC(C)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257235357 563791802 /nfs/dbraw/zinc/79/18/02/563791802.db2.gz GXMHMWOCXKXXDZ-OAHLLOKOSA-N 0 3 302.393 3.992 40 0 DHABHN Clc1ccc2oc([C@H]3CCN(Cc4ccccn4)C3)nc2c1 ZINC000035446457 563867313 /nfs/dbraw/zinc/86/73/13/563867313.db2.gz MBMKVWWCKUCZAT-LBPRGKRZSA-N 0 3 313.788 3.866 40 0 biogenic,in-vitro DHABHN CC[C@H](C)CN1CCc2c(c3c(c(OC)c2OC)CCC3)C1 ZINC000001567207 568412232 /nfs/dbraw/zinc/41/22/32/568412232.db2.gz SHQNLVNFWJVLHR-ZDUSSCGKSA-N 0 3 303.446 3.597 40 0 DHABHN CN1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000074713441 185011664 /nfs/dbraw/zinc/01/16/64/185011664.db2.gz MCBFGOXMGDDVJF-UHFFFAOYSA-N 0 3 320.742 3.639 40 0 DHABHN CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C[C@@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004185208 181083051 /nfs/dbraw/zinc/08/30/51/181083051.db2.gz IUQYLYYXKZJRJM-FLXSYLCISA-N 0 3 307.478 3.676 40 0 DHABHN Cc1c[nH]c([C@H]2CCN(Cc3[nH]c4ccc(F)cc4c3C)C2)n1 ZINC000257272604 203002923 /nfs/dbraw/zinc/00/29/23/203002923.db2.gz NDASRKKRNNVFLP-ZDUSSCGKSA-N 0 3 312.392 3.636 40 0 DHABHN c1csc(C[C@H]2CCN(Cc3ccnc4ccccc34)C2)n1 ZINC000257327304 203050179 /nfs/dbraw/zinc/05/01/79/203050179.db2.gz XAWNOMCPCIWYIO-CQSZACIVSA-N 0 3 309.438 3.756 40 0 DHABHN Fc1ccc([C@@H]2COC[C@H]2NCc2ccc(Cl)cc2)cc1 ZINC000019334707 182117222 /nfs/dbraw/zinc/11/72/22/182117222.db2.gz PJTZQEBDMODSGL-DLBZAZTESA-N 0 3 305.780 3.751 40 0 DHABHN c1csc(-c2noc([C@@H]3CCN(Cc4ccsc4)C3)n2)c1 ZINC000019344694 182117725 /nfs/dbraw/zinc/11/77/25/182117725.db2.gz KOIGCNRRLSWDRI-GFCCVEGCSA-N 0 3 317.439 3.849 40 0 DHABHN COCCCN(Cc1ccccn1)Cc1ccnc2ccccc12 ZINC000019593288 182133234 /nfs/dbraw/zinc/13/32/34/182133234.db2.gz DVSUCWNBVTYJJT-UHFFFAOYSA-N 0 3 321.424 3.669 40 0 DHABHN CCCN1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214499 257125825 /nfs/dbraw/zinc/12/58/25/257125825.db2.gz IBWUMXOEODCTMY-OAHLLOKOSA-N 0 3 319.449 4.000 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 ZINC000072214610 257126656 /nfs/dbraw/zinc/12/66/56/257126656.db2.gz MJOBDHGTKGEHGY-HNNXBMFYSA-N 0 3 319.449 4.000 40 0 DHABHN c1nc([C@H]2CCCN2CC2CC2)c2ccc(-c3cccnc3)cn12 ZINC000306144875 534534149 /nfs/dbraw/zinc/53/41/49/534534149.db2.gz ZREWWLONGKQZMM-GOSISDBHSA-N 0 3 318.424 3.943 40 0 DHABHN Cc1ccc2[nH]c([C@H]3CCN(Cc4ccc(F)cc4)C3)nc2c1 ZINC000049168992 560084991 /nfs/dbraw/zinc/08/49/91/560084991.db2.gz CAZNMUYIXLSFCC-HNNXBMFYSA-N 0 3 309.388 4.000 40 0 biogenic,in-vitro DHABHN Cc1ccc2nc([C@H]3CCN(Cc4ccc(F)cc4)C3)[nH]c2c1 ZINC000049168992 560084993 /nfs/dbraw/zinc/08/49/93/560084993.db2.gz CAZNMUYIXLSFCC-HNNXBMFYSA-N 0 3 309.388 4.000 40 0 biogenic,in-vitro DHABHN C[C@@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000001683409 563290942 /nfs/dbraw/zinc/29/09/42/563290942.db2.gz CNFNVXPDSNSPKW-QFBILLFUSA-N 0 3 315.457 3.988 40 0 DHABHN CCOc1ccc([C@H](O)CN(C)Cc2ccccc2)cc1Cl ZINC000031911881 563441489 /nfs/dbraw/zinc/44/14/89/563441489.db2.gz OMDIBWATEJSJEB-QGZVFWFLSA-N 0 3 319.832 3.904 40 0 DHABHN CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccccc2F)C1 ZINC000089212723 563484246 /nfs/dbraw/zinc/48/42/46/563484246.db2.gz WSHIXPRCKVXCHM-AWEZNQCLSA-N 0 3 322.424 3.562 40 0 DHABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000096058420 563532287 /nfs/dbraw/zinc/53/22/87/563532287.db2.gz VXWFTHKDKWPKSE-LEWJYISDSA-N 0 3 324.443 3.674 40 0 DHABHN c1csc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)c1 ZINC000096047768 563532509 /nfs/dbraw/zinc/53/25/09/563532509.db2.gz AXUBFKKXWAPYIO-MRXNPFEDSA-N 0 3 314.454 3.682 40 0 DHABHN CCCCOc1ccc(CNC[C@@H]2CCCO2)cc1OCC ZINC000119591447 563594638 /nfs/dbraw/zinc/59/46/38/563594638.db2.gz ICJVBZVIZNJFMA-INIZCTEOSA-N 0 3 307.434 3.533 40 0 DHABHN Cc1nc(NC2CCCC2)cc(N2CCc3ccccc3C2)n1 ZINC000243792972 563604492 /nfs/dbraw/zinc/60/44/92/563604492.db2.gz QLVLCLRGZHFGIC-UHFFFAOYSA-N 0 3 308.429 3.702 40 0 DHABHN CCOc1cc(C=O)ccc1OCCCN1[C@H](C)CCC[C@H]1C ZINC000217791743 563714703 /nfs/dbraw/zinc/71/47/03/563714703.db2.gz ZZCSTKNPMXZFKC-HZPDHXFCSA-N 0 3 319.445 3.930 40 0 DHABHN COCCNCc1cc(C)n(Cc2ccccc2Cl)c1C ZINC000223664236 563735076 /nfs/dbraw/zinc/73/50/76/563735076.db2.gz CWMAEPDENJGPIZ-UHFFFAOYSA-N 0 3 306.837 3.543 40 0 DHABHN CCOc1cc(CNC[C@H]2CCCO2)ccc1O[C@@H](C)CC ZINC000225158198 563749833 /nfs/dbraw/zinc/74/98/33/563749833.db2.gz XZPVYASBZRPMPA-GOEBONIOSA-N 0 3 307.434 3.531 40 0 DHABHN COc1ccc(CNCc2ccc(Cc3ccco3)n2C)cc1 ZINC000226021451 563767841 /nfs/dbraw/zinc/76/78/41/563767841.db2.gz FWOJQBAMHXNYNX-UHFFFAOYSA-N 0 3 310.397 3.507 40 0 DHABHN COc1ccc2[nH]c(CN3CCC[C@H](c4nc(C)c[nH]4)C3)cc2c1 ZINC000257207745 563789563 /nfs/dbraw/zinc/78/95/63/563789563.db2.gz BJBCZLMOALORBA-AWEZNQCLSA-N 0 3 324.428 3.588 40 0 DHABHN COc1ccc2[nH]c(CN3CCC[C@@H](c4n[nH]cc4C)C3)cc2c1 ZINC000257207031 563790100 /nfs/dbraw/zinc/79/01/00/563790100.db2.gz BGBCRDBDXSWZFO-CQSZACIVSA-N 0 3 324.428 3.588 40 0 DHABHN Cc1ncc2cncc([C@@H]3CCCN(Cc4ccccc4F)C3)n12 ZINC000257211337 563790831 /nfs/dbraw/zinc/79/08/31/563790831.db2.gz BYNANVUAGDRGBO-MRXNPFEDSA-N 0 3 324.403 3.556 40 0 DHABHN CNc1cccc(CC[C@@H]2CCCCN2Cc2ccccn2)n1 ZINC000257227699 563790930 /nfs/dbraw/zinc/79/09/30/563790930.db2.gz FQMQOAPBKDLIHM-SFHVURJKSA-N 0 3 310.445 3.506 40 0 DHABHN CC1(C)[C@H](C[C@H]2OC[C@@H](CN3CCCCC3)O2)[C@@H]2CC[C@H]1C2 ZINC000001229978 563803508 /nfs/dbraw/zinc/80/35/08/563803508.db2.gz IUQYLYYXKZJRJM-ILOCAZANSA-N 0 3 307.478 3.676 40 0 DHABHN CCCCOc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C ZINC000095095422 563930971 /nfs/dbraw/zinc/93/09/71/563930971.db2.gz CIYJCUJZDHICFX-OAHLLOKOSA-N 0 3 315.417 3.957 40 0 DHABHN c1cn(-c2cccc([C@@H]3CCCN3Cc3ccccc3)n2)cn1 ZINC000072355456 191128613 /nfs/dbraw/zinc/12/86/13/191128613.db2.gz LWRXQJMDJMUFGO-SFHVURJKSA-N 0 3 304.397 3.604 40 0 DHABHN CN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359281 191131028 /nfs/dbraw/zinc/13/10/28/191131028.db2.gz MBBDDGBSUPFRHX-CYBMUJFWSA-N 0 3 321.346 3.972 40 0 DHABHN Cc1csc([N-]c2nccnc2[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072363469 191132552 /nfs/dbraw/zinc/13/25/52/191132552.db2.gz HVDFUVYKZMETBM-CYBMUJFWSA-N 0 3 317.462 3.573 40 0 DHABHN Cc1csc([N-]c2nccnc2[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072363469 191132554 /nfs/dbraw/zinc/13/25/54/191132554.db2.gz HVDFUVYKZMETBM-CYBMUJFWSA-N 0 3 317.462 3.573 40 0 DHABHN COc1ccc2ccccc2c1[C@H](Cc1ccccc1)NCCO ZINC000001594051 180876956 /nfs/dbraw/zinc/87/69/56/180876956.db2.gz ZOFVJRDYJOVIKH-IBGZPJMESA-N 0 3 321.420 3.714 40 0 DHABHN C[C@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000001683410 180887577 /nfs/dbraw/zinc/88/75/77/180887577.db2.gz CNFNVXPDSNSPKW-VQIMIIECSA-N 0 3 315.457 3.988 40 0 DHABHN Fc1cccc(Cl)c1CNCCCSc1ncccn1 ZINC000004984097 181184297 /nfs/dbraw/zinc/18/42/97/181184297.db2.gz OTYAOIXDUJACLZ-UHFFFAOYSA-N 0 3 311.813 3.541 40 0 DHABHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2CCc1ccc(C)nc1 ZINC000091244411 193025168 /nfs/dbraw/zinc/02/51/68/193025168.db2.gz GOCKVWBQSRYQFB-PZJWPPBQSA-N 0 3 321.468 3.549 40 0 DHABHN c1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019371885 182120328 /nfs/dbraw/zinc/12/03/28/182120328.db2.gz CODPRKHDWDWSGH-UHFFFAOYSA-N 0 3 320.396 3.511 40 0 DHABHN CN(C)CCN(Cc1cccs1)Cc1ccc(Cl)cc1 ZINC000019582549 182132448 /nfs/dbraw/zinc/13/24/48/182132448.db2.gz UCBFEBQLRVJNJZ-UHFFFAOYSA-N 0 3 308.878 3.965 40 0 DHABHN CC(C)(C)OC(=O)N1CCC(NCc2ccccc2Cl)CC1 ZINC000038876234 183012465 /nfs/dbraw/zinc/01/24/65/183012465.db2.gz NNSZHIZQEYCMRR-UHFFFAOYSA-N 0 3 324.852 3.829 40 0 DHABHN CCN1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214429 257125897 /nfs/dbraw/zinc/12/58/97/257125897.db2.gz XLPHOLJCKCIJPZ-CQSZACIVSA-N 0 3 305.422 3.610 40 0 DHABHN CC(C)N1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214437 257125903 /nfs/dbraw/zinc/12/59/03/257125903.db2.gz ZWDVVPJYIFFFTL-OAHLLOKOSA-N 0 3 319.449 3.998 40 0 DHABHN CCN1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214430 257125991 /nfs/dbraw/zinc/12/59/91/257125991.db2.gz XLPHOLJCKCIJPZ-AWEZNQCLSA-N 0 3 305.422 3.610 40 0 DHABHN CC(C)(C)CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225905031 563766901 /nfs/dbraw/zinc/76/69/01/563766901.db2.gz IQWZSYOPKQLFJY-HNNXBMFYSA-N 0 3 322.880 3.714 40 0 DHABHN CCC1(N[C@@H](Cc2ccccc2)c2ccccc2)COCOC1 ZINC000001668862 563289679 /nfs/dbraw/zinc/28/96/79/563289679.db2.gz IGYJSMIDQHNODT-IBGZPJMESA-N 0 3 311.425 3.713 40 0 DHABHN Cc1ccc(C(=O)N2CCC[C@@]3(CCN3CC(C)C)C2)c(C)c1 ZINC000585102258 563517088 /nfs/dbraw/zinc/51/70/88/563517088.db2.gz VSLLAZNIUYGVKZ-HXUWFJFHSA-N 0 3 314.473 3.640 40 0 DHABHN Cc1ccc(CNCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000013998827 563549527 /nfs/dbraw/zinc/54/95/27/563549527.db2.gz WJFPLMXMUTUPBN-UHFFFAOYSA-N 0 3 306.409 3.743 40 0 DHABHN CC(C)N1c2ccccc2C2(CCN(Cc3ccco3)CC2)C1=O ZINC000101883391 563558642 /nfs/dbraw/zinc/55/86/42/563558642.db2.gz CEZGEJJEWWAVNO-UHFFFAOYSA-N 0 3 324.424 3.568 40 0 DHABHN CCOc1cc(C=O)ccc1OCCCN1[C@@H](C)CCC[C@@H]1C ZINC000217791584 563714655 /nfs/dbraw/zinc/71/46/55/563714655.db2.gz ZZCSTKNPMXZFKC-HOTGVXAUSA-N 0 3 319.445 3.930 40 0 DHABHN CCOC(=O)C1=C(c2ccccc2)CN(Cc2ccccc2)C1 ZINC000026895063 563736515 /nfs/dbraw/zinc/73/65/15/563736515.db2.gz DMPBQXVVNUARKT-UHFFFAOYSA-N 0 3 307.393 3.519 40 0 DHABHN CC(C)(C)c1ccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc1 ZINC000095533465 563931856 /nfs/dbraw/zinc/93/18/56/563931856.db2.gz UVNIZPJGGOHQTM-INIZCTEOSA-N 0 3 306.413 3.817 40 0 DHABHN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000307198995 568420540 /nfs/dbraw/zinc/42/05/40/568420540.db2.gz YZFBIESGISWLFU-INIZCTEOSA-N 0 3 318.461 3.812 40 0 DHABHN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2)n1 ZINC000072376718 191139823 /nfs/dbraw/zinc/13/98/23/191139823.db2.gz DKBPPNSVQHKJEC-CYBMUJFWSA-N 0 3 322.334 3.559 40 0 DHABHN C[C@@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000004404507 181107645 /nfs/dbraw/zinc/10/76/45/181107645.db2.gz YLQSFTKJKOZBBJ-APWZRJJASA-N 0 3 315.457 3.988 40 0 DHABHN CC[C@H](OC[C@@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1 ZINC000006355971 181333717 /nfs/dbraw/zinc/33/37/17/181333717.db2.gz QPXDBTYBCYZQBM-VDGAXYAQSA-N 0 3 313.441 3.866 40 0 DHABHN CC[C@@H](OC[C@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1 ZINC000006356109 181333873 /nfs/dbraw/zinc/33/38/73/181333873.db2.gz QPXDBTYBCYZQBM-PWIZWCRZSA-N 0 3 313.441 3.866 40 0 DHABHN c1csc(C[C@H]2CCN(Cc3ccc4ncccc4c3)C2)n1 ZINC000257301108 203025290 /nfs/dbraw/zinc/02/52/90/203025290.db2.gz RXAGYVQUHXDIOI-OAHLLOKOSA-N 0 3 309.438 3.756 40 0 DHABHN COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccncc2)c1 ZINC000019565995 182130083 /nfs/dbraw/zinc/13/00/83/182130083.db2.gz BBTRJBRIOVGVLB-FUHIMQAGSA-N 0 3 324.424 3.522 40 0 DHABHN Cc1nn(C)cc1CN1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000019583826 182131835 /nfs/dbraw/zinc/13/18/35/182131835.db2.gz DJSIWXHDFNKWOY-SFHVURJKSA-N 0 3 320.440 3.656 40 0 DHABHN CCOc1c(CNCCc2ccc(F)cc2)cccc1OC ZINC000022074626 182307793 /nfs/dbraw/zinc/30/77/93/182307793.db2.gz CSGIPQXCUISOTG-UHFFFAOYSA-N 0 3 303.377 3.565 40 0 DHABHN CCN1CCC[C@H]1CN(Cc1cccs1)Cc1ccncc1 ZINC000022913861 182340219 /nfs/dbraw/zinc/34/02/19/182340219.db2.gz WBRWSSWTRMNKBW-KRWDZBQOSA-N 0 3 315.486 3.630 40 0 DHABHN CCN1CCC[C@@H]1CN(Cc1cccs1)Cc1ccncc1 ZINC000022913856 182340385 /nfs/dbraw/zinc/34/03/85/182340385.db2.gz WBRWSSWTRMNKBW-QGZVFWFLSA-N 0 3 315.486 3.630 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072214633 257125940 /nfs/dbraw/zinc/12/59/40/257125940.db2.gz VWRTVOACLNMJMR-OAHLLOKOSA-N 0 3 319.449 4.000 40 0 DHABHN CCCSC1=N[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N1 ZINC000408989142 257224744 /nfs/dbraw/zinc/22/47/44/257224744.db2.gz KEAZINKXFYFZKK-HNNXBMFYSA-N 0 3 318.442 3.667 40 0 DHABHN CN(C)CCN(Cc1ccccc1)c1ccc2ccccc2n1 ZINC000001670038 563289785 /nfs/dbraw/zinc/28/97/85/563289785.db2.gz UOIUDOKHROSYCW-UHFFFAOYSA-N 0 3 305.425 3.803 40 0 DHABHN CC[C@H](CO)NCc1ccccc1OCc1ccccc1Cl ZINC000008337143 563346111 /nfs/dbraw/zinc/34/61/11/563346111.db2.gz CSCDYMXYTYWNHI-MRXNPFEDSA-N 0 3 319.832 3.780 40 0 DHABHN COCC[C@@H]1CCOC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000585104151 563516819 /nfs/dbraw/zinc/51/68/19/563516819.db2.gz GHTZCFQADSNIPS-MRXNPFEDSA-N 0 3 323.864 3.748 40 0 DHABHN c1cc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)cs1 ZINC000096047772 563532065 /nfs/dbraw/zinc/53/20/65/563532065.db2.gz PAPVCEXCIDQGMB-QGZVFWFLSA-N 0 3 314.454 3.682 40 0 DHABHN CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccoc1)CC2 ZINC000096049268 563532096 /nfs/dbraw/zinc/53/20/96/563532096.db2.gz GBTXSDOMOODNDP-UHFFFAOYSA-N 0 3 318.461 3.530 40 0 DHABHN Cc1ccc(CN2CCC3(C[C@@H](OCC4CC4)CO3)CC2)s1 ZINC000096106611 563533251 /nfs/dbraw/zinc/53/32/51/563533251.db2.gz KIWSMMAOOAWICO-MRXNPFEDSA-N 0 3 321.486 3.607 40 0 DHABHN COc1ccc(Cl)cc1CN[C@@H](C)[C@@H](O)c1ccccc1 ZINC000022076434 563713746 /nfs/dbraw/zinc/71/37/46/563713746.db2.gz RVTKBHTVBGBRTR-YVEFUNNKSA-N 0 3 305.805 3.560 40 0 DHABHN COCc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000224095058 563739272 /nfs/dbraw/zinc/73/92/72/563739272.db2.gz QHHCYINMZWUPTR-UHFFFAOYSA-N 0 3 324.424 3.681 40 0 DHABHN Cc1ccc(OC[C@H](O)CN2CCC(C)CC2)c(C(C)(C)C)c1 ZINC000027531028 563812262 /nfs/dbraw/zinc/81/22/62/563812262.db2.gz XVLCCMGLLHQIMU-QGZVFWFLSA-N 0 3 319.489 3.764 40 0 DHABHN CC(C)c1ccc(CCC(=O)NCCN2CCCCCC2)cc1 ZINC000010334473 563922600 /nfs/dbraw/zinc/92/26/00/563922600.db2.gz PJKGACXGHWTPDV-UHFFFAOYSA-N 0 3 316.489 3.735 40 0 DHABHN CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1cccc(Cl)c1 ZINC000019712366 563922882 /nfs/dbraw/zinc/92/28/82/563922882.db2.gz DHKDMJQOMGTEQK-ZWKOTPCHSA-N 0 3 320.864 3.705 40 0 DHABHN CN1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000074713439 185011644 /nfs/dbraw/zinc/01/16/44/185011644.db2.gz CNKMIEGSAQVYFT-UHFFFAOYSA-N 0 3 310.397 3.759 40 0 DHABHN C[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000072881652 191245832 /nfs/dbraw/zinc/24/58/32/191245832.db2.gz VZAVSTGRAXDHEW-CQSZACIVSA-N 0 3 302.462 3.503 40 0 DHABHN C[C@@H](COC(=O)[C@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)N1CCCC1 ZINC000004411191 181107576 /nfs/dbraw/zinc/10/75/76/181107576.db2.gz XMEWHLNQVHUJQI-VJANTYMQSA-N 0 3 317.473 3.953 40 0 DHABHN Cc1cnc(C2(C)CCN(Cc3scnc3C)CC2)s1 ZINC000257331367 203055043 /nfs/dbraw/zinc/05/50/43/203055043.db2.gz XSOJHFSINWPCPS-UHFFFAOYSA-N 0 3 307.488 3.770 40 0 DHABHN CCCN1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214439 257126644 /nfs/dbraw/zinc/12/66/44/257126644.db2.gz MBCDJIYNSFTMFY-OAHLLOKOSA-N 0 3 319.449 4.000 40 0 DHABHN CC[C@@H]1CCCCN1CCCOc1c(C=O)cccc1OC ZINC000008731541 563644103 /nfs/dbraw/zinc/64/41/03/563644103.db2.gz DOEZLIPWEGLPHN-MRXNPFEDSA-N 0 3 305.418 3.541 40 0 DHABHN C[C@@](CN1CCCC1)(Oc1ccccc1)C(=O)c1ccccc1 ZINC000001570858 563285801 /nfs/dbraw/zinc/28/58/01/563285801.db2.gz UAQAYRICCZLYQR-FQEVSTJZSA-N 0 3 309.409 3.803 40 0 DHABHN CCCOc1cc(C)c(C(=O)O[C@@H](C)CN2CCCC2)c(C)c1 ZINC000001640869 563288547 /nfs/dbraw/zinc/28/85/47/563288547.db2.gz ZVYFJIBPPYCIQV-INIZCTEOSA-N 0 3 319.445 3.733 40 0 DHABHN COCC[C@H]1Cn2cccc2CN(Cc2sccc2C)C1 ZINC000585095466 563516174 /nfs/dbraw/zinc/51/61/74/563516174.db2.gz SEPKWYMQIPMNMZ-OAHLLOKOSA-N 0 3 304.459 3.527 40 0 DHABHN c1ccc([C@@H]2CO[C@]3(C2)CCCN(Cc2ccncc2)C3)cc1 ZINC000096073461 563533414 /nfs/dbraw/zinc/53/34/14/563533414.db2.gz QJMNXUCVMXNXRP-PMACEKPBSA-N 0 3 308.425 3.620 40 0 DHABHN CNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008377354 563642547 /nfs/dbraw/zinc/64/25/47/563642547.db2.gz GADXMNPBMHTWLL-UHFFFAOYSA-N 0 3 324.193 3.887 40 0 DHABHN COCCNCc1ccccc1OCc1ccccc1Cl ZINC000008469250 563643690 /nfs/dbraw/zinc/64/36/90/563643690.db2.gz QNSKEVCRFXKOJR-UHFFFAOYSA-N 0 3 305.805 3.655 40 0 DHABHN CC[C@@H]1CCCCN1CCCOc1ccc(C=O)cc1OC ZINC000008731537 563644070 /nfs/dbraw/zinc/64/40/70/563644070.db2.gz PKHPFDVZODZGIE-MRXNPFEDSA-N 0 3 305.418 3.541 40 0 DHABHN CCOc1cc(C=O)ccc1OCCCN1CCCC[C@H]1CC ZINC000008731539 563644349 /nfs/dbraw/zinc/64/43/49/563644349.db2.gz IPQBYUCPQQDSAF-QGZVFWFLSA-N 0 3 319.445 3.931 40 0 DHABHN COc1ccc(Cl)cc1CN[C@H](C)[C@H](O)c1ccccc1 ZINC000022076440 563713753 /nfs/dbraw/zinc/71/37/53/563713753.db2.gz RVTKBHTVBGBRTR-PXAZEXFGSA-N 0 3 305.805 3.560 40 0 DHABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000257256491 563792275 /nfs/dbraw/zinc/79/22/75/563792275.db2.gz KLRZXNHLSCZDAQ-INIZCTEOSA-N 0 3 306.413 3.646 40 0 DHABHN COc1ccc(OC[C@@H]2CN(C)CC[C@H]2c2ccccc2)cc1 ZINC000000001420 563840721 /nfs/dbraw/zinc/84/07/21/563840721.db2.gz OJSFTALXCYKKFQ-PXNSSMCTSA-N 0 3 311.425 3.810 40 0 in-vitro DHABHN Brc1ccc([C@H]2C[C@@H]2CN2CCSCC2)cc1 ZINC000575424336 563856941 /nfs/dbraw/zinc/85/69/41/563856941.db2.gz ZFJMTEABFKBRAP-TZMCWYRMSA-N 0 3 312.276 3.601 40 0 DHABHN C[C@@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)NCc1cccnc1 ZINC000013786272 563928806 /nfs/dbraw/zinc/92/88/06/563928806.db2.gz YOGMQUBAEAYSMA-MPGHIAIKSA-N 0 3 300.446 3.757 40 0 DHABHN CC[C@@H](C)Oc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C ZINC000095095425 563930871 /nfs/dbraw/zinc/93/08/71/563930871.db2.gz WACWLENGESNBKY-UKRRQHHQSA-N 0 3 315.417 3.955 40 0 DHABHN C[C@@H](NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000079438549 185171382 /nfs/dbraw/zinc/17/13/82/185171382.db2.gz CPRORZXBJYSPNC-HUUCEWRRSA-N 0 3 319.449 3.522 40 0 DHABHN O=C(Cc1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000069897081 190834924 /nfs/dbraw/zinc/83/49/24/190834924.db2.gz FABXQUCLVXOLQT-UHFFFAOYSA-N 0 3 322.452 3.531 40 0 DHABHN c1ccc2c(c1)cncc2C[C@H]1CCN(Cc2cccnc2)C1 ZINC000072367970 191136843 /nfs/dbraw/zinc/13/68/43/191136843.db2.gz WZWMNFIANIMUCR-MRXNPFEDSA-N 0 3 303.409 3.694 40 0 DHABHN C[C@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004416228 181108033 /nfs/dbraw/zinc/10/80/33/181108033.db2.gz KMIMUNJWKNUUOF-NEWSRXKRSA-N 0 3 313.441 3.764 40 0 DHABHN CN(CC[C@]1(C)c2ccccc2CCC1=O)Cc1ccccc1 ZINC000005495695 181250112 /nfs/dbraw/zinc/25/01/12/181250112.db2.gz ZMKGNTPUJWEYCT-OAQYLSRUSA-N 0 3 307.437 3.982 40 0 DHABHN CC[C@@H]1C[C@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CCN(C2)[C@H]13 ZINC000005499967 181250416 /nfs/dbraw/zinc/25/04/16/181250416.db2.gz GZIPIZQXYGKJCX-GOYGXENFSA-N 0 3 324.468 3.947 40 0 DHABHN COc1ccc2ccccc2c1[C@@H](Cc1ccccc1)NCCO ZINC000006484997 181344780 /nfs/dbraw/zinc/34/47/80/181344780.db2.gz ZOFVJRDYJOVIKH-LJQANCHMSA-N 0 3 321.420 3.714 40 0 DHABHN c1ncc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)s1 ZINC000257272818 203001495 /nfs/dbraw/zinc/00/14/95/203001495.db2.gz NDZMJIFTPZZVGF-AWEZNQCLSA-N 0 3 309.438 3.756 40 0 DHABHN CCCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C ZINC000019501430 182125715 /nfs/dbraw/zinc/12/57/15/182125715.db2.gz GLEYUGIMDNZXCC-QWFCFKBJSA-N 0 3 314.473 3.656 40 0 DHABHN CC(C)N1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214438 257126191 /nfs/dbraw/zinc/12/61/91/257126191.db2.gz ZWDVVPJYIFFFTL-HNNXBMFYSA-N 0 3 319.449 3.998 40 0 DHABHN OC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCCCC1 ZINC000070453344 257128405 /nfs/dbraw/zinc/12/84/05/257128405.db2.gz JZABXBFHQGMQOR-FQEVSTJZSA-N 0 3 311.425 3.785 40 0 DHABHN CCC(=O)O[C@@]1(c2ccccc2)CCN(C)C[C@@H]1c1ccccc1 ZINC000001593598 563286798 /nfs/dbraw/zinc/28/67/98/563286798.db2.gz NFOFODLZYVUMFC-TZIWHRDSSA-N 0 3 323.436 3.954 40 0 DHABHN CCN(CC)CCOC(=O)c1ccccc1Nc1ccccc1 ZINC000001697196 563292025 /nfs/dbraw/zinc/29/20/25/563292025.db2.gz ZECKUXDOHUSRDY-UHFFFAOYSA-N 0 3 312.413 3.929 40 0 DHABHN CC(C)c1ccccc1OC[C@@H](O)CN[C@H](C)c1ccccc1 ZINC000002694372 563310954 /nfs/dbraw/zinc/31/09/54/563310954.db2.gz RKIYHUWPPCZGFT-AEFFLSMTSA-N 0 3 313.441 3.901 40 0 DHABHN Fc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccncc2)cc1 ZINC000012338003 563366103 /nfs/dbraw/zinc/36/61/03/563366103.db2.gz VQWMKTDYCZUVSX-AYBZRNKSSA-N 0 3 312.388 3.653 40 0 DHABHN CC(C)CCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220599 563430914 /nfs/dbraw/zinc/43/09/14/563430914.db2.gz HSRPEUGEXWGWCQ-MRXNPFEDSA-N 0 3 322.880 3.714 40 0 DHABHN N=C(NC(=N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000095868091 563530636 /nfs/dbraw/zinc/53/06/36/563530636.db2.gz WACUTUAJONDJMA-UHFFFAOYSA-N 0 3 322.199 3.977 40 0 DHABHN c1csc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)c1 ZINC000096047769 563532068 /nfs/dbraw/zinc/53/20/68/563532068.db2.gz AXUBFKKXWAPYIO-INIZCTEOSA-N 0 3 314.454 3.682 40 0 DHABHN Cc1ccccc1CN1CCC2(CCCN2C(=O)C(C)C)CC1 ZINC000096075192 563533353 /nfs/dbraw/zinc/53/33/53/563533353.db2.gz BUUCWBLAZPIJPI-UHFFFAOYSA-N 0 3 314.473 3.608 40 0 DHABHN N[C@@H](CNC(=O)OCc1ccccc1)c1ccc2ccccc2c1 ZINC000096295487 563536461 /nfs/dbraw/zinc/53/64/61/563536461.db2.gz DWWDQIVHSPBXFK-IBGZPJMESA-N 0 3 320.392 3.766 40 0 DHABHN Cc1cc([C@H]2c3ccccc3CCCN2[C@@H]2CCOC2)ccn1 ZINC000096260792 563536478 /nfs/dbraw/zinc/53/64/78/563536478.db2.gz OPOOVEDFDNTLAZ-QUCCMNQESA-N 0 3 308.425 3.517 40 0 DHABHN c1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cs1 ZINC000107751977 563567198 /nfs/dbraw/zinc/56/71/98/563567198.db2.gz WMUHCITWGNZEDZ-MSOLQXFVSA-N 0 3 321.486 3.546 40 0 DHABHN N[C@H](c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000095533448 563567776 /nfs/dbraw/zinc/56/77/76/563567776.db2.gz OVQTWHYWIBDAJJ-ZDUSSCGKSA-N 0 3 318.302 3.539 40 0 DHABHN CC[C@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000008337034 563642364 /nfs/dbraw/zinc/64/23/64/563642364.db2.gz ODNXQJXEAWVLML-QGZVFWFLSA-N 0 3 319.832 3.780 40 0 DHABHN COc1cc(C=O)ccc1OCCCN1[C@H](C)CCC[C@H]1C ZINC000217791281 563714699 /nfs/dbraw/zinc/71/46/99/563714699.db2.gz FAIPTXGOFBMLBZ-HUUCEWRRSA-N 0 3 305.418 3.540 40 0 DHABHN COc1cccc(C=O)c1OCCCN1[C@H](C)CCC[C@H]1C ZINC000217790032 563714762 /nfs/dbraw/zinc/71/47/62/563714762.db2.gz HUEIPUFUKWDIOH-HUUCEWRRSA-N 0 3 305.418 3.540 40 0 DHABHN CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C)n1 ZINC000329025752 563833660 /nfs/dbraw/zinc/83/36/60/563833660.db2.gz PIOGSKHQXZAQKT-KGLIPLIRSA-N 0 3 310.445 3.947 40 0 DHABHN C[C@H](CN1c2ccccc2Sc2ccccc21)N(C)CCO ZINC000001667887 563895465 /nfs/dbraw/zinc/89/54/65/563895465.db2.gz OVBCYALNGQQYRZ-CQSZACIVSA-N 0 3 314.454 3.602 40 0 DHABHN CN1CCC(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000074921073 191388662 /nfs/dbraw/zinc/38/86/62/191388662.db2.gz ZRTLCHIILFKWHB-UHFFFAOYSA-N 0 3 301.217 3.664 40 0 DHABHN CN1CCC(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000074921075 191388695 /nfs/dbraw/zinc/38/86/95/191388695.db2.gz ZDUHHIAQLPZAKW-UHFFFAOYSA-N 0 3 301.217 3.664 40 0 DHABHN Cc1csc(-c2cc(C)nc([C@@H]3CCCN(C(C)C)C3)n2)n1 ZINC000257332368 203055141 /nfs/dbraw/zinc/05/51/41/203055141.db2.gz XWZARYMOXQQPLU-CQSZACIVSA-N 0 3 316.474 3.805 40 0 DHABHN CN1CCC[C@@H]1c1cc2cccnc2n1Cc1ccc(F)cc1 ZINC000019588703 182132347 /nfs/dbraw/zinc/13/23/47/182132347.db2.gz JUESPYYZNLGUEB-QGZVFWFLSA-N 0 3 309.388 3.990 40 0 DHABHN CC1CCN(Cc2ccc(C(=O)Nc3cccnc3)cc2)CC1 ZINC000038849761 183011049 /nfs/dbraw/zinc/01/10/49/183011049.db2.gz QVFAHTFEMARPRP-UHFFFAOYSA-N 0 3 309.413 3.566 40 0 DHABHN O=C(Nc1ccccc1F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038849217 183011284 /nfs/dbraw/zinc/01/12/84/183011284.db2.gz SCBQQUWCBLSALZ-MRXNPFEDSA-N 0 3 312.388 3.676 40 0 DHABHN CCOP(=O)(OCC)[C@]1(CCc2ccccc2)CCCN1 ZINC000065740225 184378436 /nfs/dbraw/zinc/37/84/36/184378436.db2.gz CXXMSYDQTYFTPW-INIZCTEOSA-N 0 3 311.362 3.965 40 0 in-vitro DHABHN CC(C)(C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000155391470 197050881 /nfs/dbraw/zinc/05/08/81/197050881.db2.gz XTPMUGYXDRYYNX-UHFFFAOYSA-N 0 3 304.434 3.536 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 ZINC000072214632 257126111 /nfs/dbraw/zinc/12/61/11/257126111.db2.gz VWRTVOACLNMJMR-HNNXBMFYSA-N 0 3 319.449 4.000 40 0 DHABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 ZINC000072214664 257126326 /nfs/dbraw/zinc/12/63/26/257126326.db2.gz KKONAWZIRIQULN-OAHLLOKOSA-N 0 3 319.449 4.000 40 0 DHABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2)cn1)C1CC1 ZINC000072215334 257126718 /nfs/dbraw/zinc/12/67/18/257126718.db2.gz AOQUQDNUUBTKBP-HNNXBMFYSA-N 0 3 317.433 3.800 40 0 DHABHN CCCCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039751114 257217545 /nfs/dbraw/zinc/21/75/45/257217545.db2.gz YXDGXLIQTZSSCS-UHFFFAOYSA-N 0 3 302.462 3.513 40 0 DHABHN C[C@@H]1CN(C[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000575421942 563857006 /nfs/dbraw/zinc/85/70/06/563857006.db2.gz DDYRRJSHTGELEI-CQJJVWNLSA-N 0 3 324.262 3.662 40 0 DHABHN COc1ccc(-c2cc([C@H]3CCCCCN3)no2)cc1OC ZINC000012185180 563364189 /nfs/dbraw/zinc/36/41/89/563364189.db2.gz AFLZUZCWHDNRIU-CYBMUJFWSA-N 0 3 302.374 3.564 40 0 DHABHN c1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012668390 563372208 /nfs/dbraw/zinc/37/22/08/563372208.db2.gz HOGAHOGKDMTKKM-UHFFFAOYSA-N 0 3 320.396 3.511 40 0 DHABHN CCOCC[C@H]1CCOC12CCN(Cc1cccs1)CC2 ZINC000585105418 563516866 /nfs/dbraw/zinc/51/68/66/563516866.db2.gz WIBDREZXBBEBKB-HNNXBMFYSA-N 0 3 309.475 3.546 40 0 DHABHN CCOCC[C@@H]1CCOC12CCN(Cc1ccc(F)cc1)CC2 ZINC000585104160 563517038 /nfs/dbraw/zinc/51/70/38/563517038.db2.gz GLVUSILFOSUBBR-QGZVFWFLSA-N 0 3 321.436 3.623 40 0 DHABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 ZINC000096058413 563532501 /nfs/dbraw/zinc/53/25/01/563532501.db2.gz AXBXJEBMMWIAMQ-OALUTQOASA-N 0 3 312.482 3.596 40 0 DHABHN c1csc([C@H]2C[C@@H]3CCN(CCc4ccccc4)C[C@H]3O2)n1 ZINC000096046052 563532524 /nfs/dbraw/zinc/53/25/24/563532524.db2.gz NKUYKADTKZPLDH-GVDBMIGSSA-N 0 3 314.454 3.538 40 0 DHABHN COC[C@H]1COCCC12CCN(Cc1ccccc1Cl)CC2 ZINC000096106327 563533061 /nfs/dbraw/zinc/53/30/61/563533061.db2.gz DUJXOAQVUZSHNP-INIZCTEOSA-N 0 3 323.864 3.605 40 0 DHABHN COC[C@@H]1COCCC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000096106318 563533328 /nfs/dbraw/zinc/53/33/28/563533328.db2.gz WYBABUBKWPQQPD-MRXNPFEDSA-N 0 3 323.864 3.605 40 0 DHABHN c1ccc([C@H]2CO[C@]3(C2)CCCN(Cc2ccncc2)C3)cc1 ZINC000096073460 563533466 /nfs/dbraw/zinc/53/34/66/563533466.db2.gz QJMNXUCVMXNXRP-UXHICEINSA-N 0 3 308.425 3.620 40 0 DHABHN CC(C)(CO)NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000006883129 563639168 /nfs/dbraw/zinc/63/91/68/563639168.db2.gz DRAKOFLLHGKNSL-UHFFFAOYSA-N 0 3 319.832 3.780 40 0 DHABHN CCOc1cc(C=O)ccc1OCCCN1CCCC[C@@H]1C ZINC000008731555 563644310 /nfs/dbraw/zinc/64/43/10/563644310.db2.gz WCRUZAIOHJLYKG-HNNXBMFYSA-N 0 3 305.418 3.541 40 0 DHABHN c1ccc(Cc2nnc([C@H]3CCN(Cc4ccccc4)C3)o2)cc1 ZINC000049169804 563700758 /nfs/dbraw/zinc/70/07/58/563700758.db2.gz QYTIFHOYAYBVEC-SFHVURJKSA-N 0 3 319.408 3.650 40 0 biogenic,in-vitro DHABHN CCOc1cc(CNC[C@@H]2CCCO2)ccc1O[C@H](C)CC ZINC000225158233 563749822 /nfs/dbraw/zinc/74/98/22/563749822.db2.gz XZPVYASBZRPMPA-ZBFHGGJFSA-N 0 3 307.434 3.531 40 0 DHABHN Cc1ccc(OC[C@H](O)CN2CCCCC2)c(C(C)(C)C)c1 ZINC000026781083 563795430 /nfs/dbraw/zinc/79/54/30/563795430.db2.gz VJCMXUCBOXMTLY-MRXNPFEDSA-N 0 3 305.462 3.518 40 0 DHABHN CCN1CCC[C@H](OC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000000057476 563820243 /nfs/dbraw/zinc/82/02/43/563820243.db2.gz KTHVBAZBLKXIHZ-IBGZPJMESA-N 0 3 323.436 3.846 40 0 in-man DHABHN COc1ccc2[nH]c([C@H]3CCN(Cc4ccsc4)C3)nc2c1 ZINC000035446791 563867110 /nfs/dbraw/zinc/86/71/10/563867110.db2.gz WZQWBCNJOZGIKV-ZDUSSCGKSA-N 0 3 313.426 3.623 40 0 biogenic,in-vitro DHABHN CC[C@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C ZINC000095095424 563930999 /nfs/dbraw/zinc/93/09/99/563930999.db2.gz WACWLENGESNBKY-ZFWWWQNUSA-N 0 3 315.417 3.955 40 0 DHABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)cc1Cl)C(C)C ZINC000079420394 185171015 /nfs/dbraw/zinc/17/10/15/185171015.db2.gz DIVCHQAEDONGEO-AWEZNQCLSA-N 0 3 317.260 3.714 40 0 DHABHN Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000072378668 191141535 /nfs/dbraw/zinc/14/15/35/191141535.db2.gz RYMWCKNZBJALRO-IBGZPJMESA-N 0 3 318.424 3.913 40 0 DHABHN COc1ccc(OC[C@@H]2CN(C)CC[C@@H]2c2ccccc2)cc1 ZINC000005573204 181259110 /nfs/dbraw/zinc/25/91/10/181259110.db2.gz OJSFTALXCYKKFQ-FXAWDEMLSA-N 0 3 311.425 3.810 40 0 in-vitro DHABHN Cc1c[nH]c([C@@H]2CCN(Cc3[nH]c4ccc(F)cc4c3C)C2)n1 ZINC000257272603 203001901 /nfs/dbraw/zinc/00/19/01/203001901.db2.gz NDASRKKRNNVFLP-CYBMUJFWSA-N 0 3 312.392 3.636 40 0 DHABHN Cc1c2cc(F)ccc2[nH]c1CN1CCC(c2cnccn2)CC1 ZINC000257323949 203047697 /nfs/dbraw/zinc/04/76/97/203047697.db2.gz WMNXJRDSUYUUOG-UHFFFAOYSA-N 0 3 324.403 3.785 40 0 DHABHN Cc1cnc2cc(C3CCN(Cc4ccc(F)cc4)CC3)[nH]c2n1 ZINC000019239391 182111277 /nfs/dbraw/zinc/11/12/77/182111277.db2.gz ALWKEXZBHHXTJU-UHFFFAOYSA-N 0 3 324.403 3.785 40 0 DHABHN COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2)c1 ZINC000019565998 182129947 /nfs/dbraw/zinc/12/99/47/182129947.db2.gz BBTRJBRIOVGVLB-SQGPQFPESA-N 0 3 324.424 3.522 40 0 DHABHN COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038835060 183011518 /nfs/dbraw/zinc/01/15/18/183011518.db2.gz UIWJFMRYTWLCSC-QGZVFWFLSA-N 0 3 324.424 3.546 40 0 DHABHN CCCCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038858955 183012120 /nfs/dbraw/zinc/01/21/20/183012120.db2.gz MOBVJNBFVYRSHE-UHFFFAOYSA-N 0 3 302.462 3.839 40 0 DHABHN CC[C@H]1CCCCN1CCCOc1ccc(C=O)cc1OC ZINC000008731538 563644138 /nfs/dbraw/zinc/64/41/38/563644138.db2.gz PKHPFDVZODZGIE-INIZCTEOSA-N 0 3 305.418 3.541 40 0 DHABHN CCOc1cc(CNC[C@@H]2CCCO2)ccc1O[C@@H](C)CC ZINC000225158157 563749597 /nfs/dbraw/zinc/74/95/97/563749597.db2.gz XZPVYASBZRPMPA-HOCLYGCPSA-N 0 3 307.434 3.531 40 0 DHABHN CN(C)Cc1cccc(C(F)(F)F)c1[C@H](O)c1ccccc1 ZINC000001662365 563289823 /nfs/dbraw/zinc/28/98/23/563289823.db2.gz VIIGQOVLVXXHSL-MRXNPFEDSA-N 0 3 309.331 3.849 40 0 DHABHN CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCC(C)CC1 ZINC000002694416 563312010 /nfs/dbraw/zinc/31/20/10/563312010.db2.gz ZGDNITHMLAZCBL-DLBZAZTESA-N 0 3 305.462 3.672 40 0 DHABHN CC(C)(CO)NCc1cccc(OCc2ccccc2Cl)c1 ZINC000006883170 563334622 /nfs/dbraw/zinc/33/46/22/563334622.db2.gz RTAADYPCXKZXQI-UHFFFAOYSA-N 0 3 319.832 3.780 40 0 DHABHN C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008535071 563347247 /nfs/dbraw/zinc/34/72/47/563347247.db2.gz KPOOIBQZDBRICH-GFCCVEGCSA-N 0 3 323.795 3.529 40 0 DHABHN COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2Cc2ccccn2)c1 ZINC000012085290 563361577 /nfs/dbraw/zinc/36/15/77/563361577.db2.gz YBKLQPLDFPGHIL-SYNHAJSKSA-N 0 3 324.424 3.522 40 0 DHABHN Cc1ccc(CNCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000013998449 563549512 /nfs/dbraw/zinc/54/95/12/563549512.db2.gz PSXKABFUWSZINS-UHFFFAOYSA-N 0 3 306.409 3.743 40 0 DHABHN N[C@@H](c1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 ZINC000095533451 563567713 /nfs/dbraw/zinc/56/77/13/563567713.db2.gz DEUFHSZAADCPOU-CYBMUJFWSA-N 0 3 318.302 3.539 40 0 DHABHN CC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000010434008 563649329 /nfs/dbraw/zinc/64/93/29/563649329.db2.gz RKMXMZICMFKQEY-UHFFFAOYSA-N 0 3 322.408 3.737 40 0 DHABHN Cc1cc(-c2noc([C@H]3CCCN3)n2)cc(C)c1OC(C)C ZINC000095095420 563653388 /nfs/dbraw/zinc/65/33/88/563653388.db2.gz AZASPJVJWMGQOI-CQSZACIVSA-N 0 3 301.390 3.565 40 0 DHABHN CCOc1cc(C=O)ccc1OCCN1[C@H](C)CCC[C@@H]1C ZINC000217789536 563714568 /nfs/dbraw/zinc/71/45/68/563714568.db2.gz UWWNHWFBMMLTNM-GASCZTMLSA-N 0 3 305.418 3.540 40 0 DHABHN NC1=NN(c2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2)C1 ZINC000222547061 563726008 /nfs/dbraw/zinc/72/60/08/563726008.db2.gz ASCYZYOOQDQFGK-AWEZNQCLSA-N 0 3 305.303 3.929 40 0 DHABHN CC1CC[NH+](CCc2ccc3c(Cl)ccc([O-])c3n2)CC1 ZINC000059474703 563771790 /nfs/dbraw/zinc/77/17/90/563771790.db2.gz JWWQEQLKBHBSDX-UHFFFAOYSA-N 0 3 304.821 3.868 40 0 DHABHN Brc1ccc([C@H]2C[C@H]2CN2CCSCC2)cc1 ZINC000575424330 563857048 /nfs/dbraw/zinc/85/70/48/563857048.db2.gz ZFJMTEABFKBRAP-GXTWGEPZSA-N 0 3 312.276 3.601 40 0 DHABHN Cc1ccnc(N(CCN2CCCCC2)C(=O)OC(C)(C)C)c1 ZINC000199719651 563914363 /nfs/dbraw/zinc/91/43/63/563914363.db2.gz JHWWNKWVYGBPNK-UHFFFAOYSA-N 0 3 319.449 3.617 40 0 DHABHN CC(C)(C)c1ccc(-c2nc([C@@H](N)c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533333 563931864 /nfs/dbraw/zinc/93/18/64/563931864.db2.gz DWZTVVBWUJRXCT-INIZCTEOSA-N 0 3 324.403 3.956 40 0 DHABHN CN1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000082336950 185176385 /nfs/dbraw/zinc/17/63/85/185176385.db2.gz HMBZBDFQLNKIGD-SECBINFHSA-N 0 3 320.742 3.639 40 0 DHABHN O=c1[nH]c(C2CCN(Cc3ccccn3)CC2)cc2ccccc21 ZINC000072360990 191131572 /nfs/dbraw/zinc/13/15/72/191131572.db2.gz HODRDABEKSEFKO-UHFFFAOYSA-N 0 3 319.408 3.715 40 0 DHABHN Cc1csc([N-]c2nccnc2C2CC[NH+](C(C)C)CC2)n1 ZINC000072364886 191134626 /nfs/dbraw/zinc/13/46/26/191134626.db2.gz SRLOJVYIOQDERH-UHFFFAOYSA-N 0 3 317.462 3.573 40 0 DHABHN Cc1nccn1-c1cccc([C@H]2CCCN2Cc2ccccc2)n1 ZINC000072378669 191141346 /nfs/dbraw/zinc/14/13/46/191141346.db2.gz RYMWCKNZBJALRO-LJQANCHMSA-N 0 3 318.424 3.913 40 0 DHABHN C=CNCCc1nc2ccccc2n1CCOc1ccccc1C ZINC000005235851 181219787 /nfs/dbraw/zinc/21/97/87/181219787.db2.gz YBUKWDOKFSYUAO-UHFFFAOYSA-N 0 3 321.424 3.699 40 0 DHABHN CC1(C)CC(=O)c2ccc(OCCCN3CCCCC3)cc2O1 ZINC000006782443 181387962 /nfs/dbraw/zinc/38/79/62/181387962.db2.gz TXWXBHKULLNGLG-UHFFFAOYSA-N 0 3 317.429 3.685 40 0 DHABHN COc1ccc(CN2CCC(c3cc4ncccc4[nH]3)CC2)cc1 ZINC000019555031 182129895 /nfs/dbraw/zinc/12/98/95/182129895.db2.gz IVHYHDRFRONRQD-UHFFFAOYSA-N 0 3 321.424 3.951 40 0 DHABHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccc(Cl)cc1Cl ZINC000019796209 182151117 /nfs/dbraw/zinc/15/11/17/182151117.db2.gz CGCRUHRFBBMTQY-LLVKDONJSA-N 0 3 305.205 3.518 40 0 DHABHN CC1CCN(Cc2ccc(C(=O)N(C)C3CCCC3)cc2)CC1 ZINC000020493067 182224600 /nfs/dbraw/zinc/22/46/00/182224600.db2.gz LPURNSHLVPAXGI-UHFFFAOYSA-N 0 3 314.473 3.933 40 0 DHABHN CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1 ZINC000043861815 183387798 /nfs/dbraw/zinc/38/77/98/183387798.db2.gz PPZIGCVMYZRQPN-UHFFFAOYSA-N 0 3 304.434 3.518 40 0 DHABHN CCN1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214335 257125915 /nfs/dbraw/zinc/12/59/15/257125915.db2.gz RPINRFQTDFVSEE-AWEZNQCLSA-N 0 3 305.422 3.976 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 ZINC000072214810 257125978 /nfs/dbraw/zinc/12/59/78/257125978.db2.gz SMFZVSCHKJXFML-AWEZNQCLSA-N 0 3 305.422 3.658 40 0 DHABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 ZINC000072214609 257126306 /nfs/dbraw/zinc/12/63/06/257126306.db2.gz MJOBDHGTKGEHGY-OAHLLOKOSA-N 0 3 319.449 4.000 40 0 DHABHN CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215307 257126698 /nfs/dbraw/zinc/12/66/98/257126698.db2.gz GWCSBVCYCUIHJO-HNNXBMFYSA-N 0 3 317.433 3.752 40 0 DHABHN CCN1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214454 257126731 /nfs/dbraw/zinc/12/67/31/257126731.db2.gz QTUOZMJFDSLMRC-OAHLLOKOSA-N 0 3 319.449 4.000 40 0 DHABHN CC(C)Oc1ccc(Cl)cc1-c1noc([C@H]2CCCN2)n1 ZINC000072209133 257128307 /nfs/dbraw/zinc/12/83/07/257128307.db2.gz GTSBJHPAHFFQHP-GFCCVEGCSA-N 0 3 307.781 3.602 40 0 DHABHN CCCSC1=N[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N1 ZINC000408989147 257224772 /nfs/dbraw/zinc/22/47/72/257224772.db2.gz KEAZINKXFYFZKK-OAHLLOKOSA-N 0 3 318.442 3.667 40 0 DHABHN c1csc(CN2CC3(C2)CCN(Cc2ccsc2)C3)c1 ZINC000096046480 563532482 /nfs/dbraw/zinc/53/24/82/563532482.db2.gz WXRUYFBTIIYFKR-UHFFFAOYSA-N 0 3 304.484 3.518 40 0 DHABHN CNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008377344 563642087 /nfs/dbraw/zinc/64/20/87/563642087.db2.gz XUWFZDYWGWEVBJ-UHFFFAOYSA-N 0 3 309.768 3.786 40 0 DHABHN COc1cccc(C=O)c1OCCCN1[C@H](C)CCC[C@@H]1C ZINC000217789944 563714862 /nfs/dbraw/zinc/71/48/62/563714862.db2.gz HUEIPUFUKWDIOH-GASCZTMLSA-N 0 3 305.418 3.540 40 0 DHABHN CN(C)C[C@](C)(Oc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000001670337 563289901 /nfs/dbraw/zinc/28/99/01/563289901.db2.gz OAOXFBKCIVXOJX-SFHVURJKSA-N 0 3 317.816 3.922 40 0 DHABHN CN(C)CC[C@](O)(Cc1ccccc1)c1cccc(Cl)c1 ZINC000001698641 563292010 /nfs/dbraw/zinc/29/20/10/563292010.db2.gz BZKMSZINPAIIIA-SFHVURJKSA-N 0 3 303.833 3.722 40 0 DHABHN O=C(OCCN1CCCC1)[C@H](c1ccccc1)[C@@H]1C=CCCC1 ZINC000001712582 563293350 /nfs/dbraw/zinc/29/33/50/563293350.db2.gz WBSQBCKCXJYLSQ-RTBURBONSA-N 0 3 313.441 3.766 40 0 DHABHN CC[C@H](C)[C@H](C(=O)OC1CCN(CC)CC1)c1ccccc1 ZINC000001726499 563293975 /nfs/dbraw/zinc/29/39/75/563293975.db2.gz UBWAHRVZHIOXEQ-YJBOKZPZSA-N 0 3 303.446 3.844 40 0 DHABHN COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)cc1 ZINC000012222601 563364738 /nfs/dbraw/zinc/36/47/38/563364738.db2.gz AWCDBPOHAKXSBK-QKLQHJQFSA-N 0 3 324.424 3.522 40 0 DHABHN Fc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2ccncc2)cc1 ZINC000012338004 563366334 /nfs/dbraw/zinc/36/63/34/563366334.db2.gz VQWMKTDYCZUVSX-WDYCEAGBSA-N 0 3 312.388 3.653 40 0 DHABHN Cc1cc(Nc2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3 ZINC000013208332 563379675 /nfs/dbraw/zinc/37/96/75/563379675.db2.gz LCBPJTNEHPZLSA-UHFFFAOYSA-N 0 3 322.320 3.744 40 0 DHABHN CC[C@H](O)CN(Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000068605850 563495695 /nfs/dbraw/zinc/49/56/95/563495695.db2.gz LTOUAOJCUILPSO-SFHVURJKSA-N 0 3 308.425 3.941 40 0 DHABHN CC[C@@H](O)CN(Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000068605854 563495864 /nfs/dbraw/zinc/49/58/64/563495864.db2.gz LTOUAOJCUILPSO-GOSISDBHSA-N 0 3 308.425 3.941 40 0 DHABHN c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccccn2)cc1 ZINC000096061592 563532041 /nfs/dbraw/zinc/53/20/41/563532041.db2.gz DBMMLLIYSUWIST-LEWJYISDSA-N 0 3 322.452 3.694 40 0 DHABHN c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccncc2)cc1 ZINC000096061594 563532168 /nfs/dbraw/zinc/53/21/68/563532168.db2.gz FJTNGGOIOLWPGG-LEWJYISDSA-N 0 3 322.452 3.694 40 0 DHABHN c1cc(CN2CCC3(C[C@@H](OCC4CCC4)CO3)CC2)cs1 ZINC000096106951 563533105 /nfs/dbraw/zinc/53/31/05/563533105.db2.gz IIEBPPNCHOMCPM-QGZVFWFLSA-N 0 3 321.486 3.688 40 0 DHABHN CC(C)N(C)Cc1cncc2c1CCN(Cc1ccsc1)C2 ZINC000096189465 563535619 /nfs/dbraw/zinc/53/56/19/563535619.db2.gz LHOQUVBNYVWDBD-UHFFFAOYSA-N 0 3 315.486 3.542 40 0 DHABHN NC1=NN(c2ccc(C(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC000222546980 563725946 /nfs/dbraw/zinc/72/59/46/563725946.db2.gz ASCYZYOOQDQFGK-CQSZACIVSA-N 0 3 305.303 3.929 40 0 DHABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cc2ccccc2o1 ZINC000257225141 563791001 /nfs/dbraw/zinc/79/10/01/563791001.db2.gz FFAIODAIVFRAGA-HKUYNNGSSA-N 0 3 312.413 3.522 40 0 DHABHN Cc1cnc(-c2cc([C@@H]3CCCN(C(C)C)C3)nc(C)n2)s1 ZINC000257262492 563792310 /nfs/dbraw/zinc/79/23/10/563792310.db2.gz LLPMZCVFVLWWLW-CQSZACIVSA-N 0 3 316.474 3.805 40 0 DHABHN c1ncc(CN2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)s1 ZINC000257271644 563792525 /nfs/dbraw/zinc/79/25/25/563792525.db2.gz MZEDIZXGGFTODM-FVQHAEBGSA-N 0 3 314.454 3.570 40 0 DHABHN Fc1ccc(N2CCN(CC3(c4ccccc4)CC3)CC2)cc1 ZINC000013992493 1022010900 /nfs/dbraw/zinc/01/09/00/1022010900.db2.gz MTVIWHPITOZRLD-UHFFFAOYSA-N 0 3 310.416 3.680 40 0 DHABHN Cc1cc(C)nc([C@H]2CCN(Cc3ccc4ncccc4c3)C2)n1 ZINC000072369684 191139874 /nfs/dbraw/zinc/13/98/74/191139874.db2.gz OOXUUHKKYCPNNK-SFHVURJKSA-N 0 3 318.424 3.631 40 0 DHABHN CN(C)[C@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000001568917 180873923 /nfs/dbraw/zinc/87/39/23/180873923.db2.gz OVQQEGZJIGLKBO-LDZZWFCLSA-N 0 3 321.420 3.861 40 0 DHABHN C[C@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004416232 181108267 /nfs/dbraw/zinc/10/82/67/181108267.db2.gz KMIMUNJWKNUUOF-NZSAHSFTSA-N 0 3 313.441 3.764 40 0 DHABHN CCOCCN(CC)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005699560 181274285 /nfs/dbraw/zinc/27/42/85/181274285.db2.gz AYGOMERSBRPVHA-WOJBJXKFSA-N 0 3 313.441 3.820 40 0 DHABHN Cc1cc(OC(C)C)cc(C)c1C(=O)OC[C@H](C)N1CCCC1 ZINC000006521958 181348702 /nfs/dbraw/zinc/34/87/02/181348702.db2.gz BRBLEMUGJBOMCV-INIZCTEOSA-N 0 3 319.445 3.732 40 0 DHABHN CN(C)CCOC1=Nc2ccccc2O/C1=C/c1ccccc1 ZINC000017107108 182074656 /nfs/dbraw/zinc/07/46/56/182074656.db2.gz LGIFXGMQZXFXTI-NBVRZTHBSA-N 0 3 308.381 3.728 40 0 DHABHN CN(C)CCN(Cc1cccs1)Cc1ccc(F)cc1F ZINC000019582564 182132476 /nfs/dbraw/zinc/13/24/76/182132476.db2.gz YVXXWHDKOOGLIH-UHFFFAOYSA-N 0 3 310.413 3.590 40 0 DHABHN CCC[C@@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020038728 182183130 /nfs/dbraw/zinc/18/31/30/182183130.db2.gz MCHXLEZGLRTCAK-MRXNPFEDSA-N 0 3 302.462 3.837 40 0 DHABHN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C)cc1 ZINC000020680978 182243311 /nfs/dbraw/zinc/24/33/11/182243311.db2.gz HWBNZLFQDQBPPU-UHFFFAOYSA-N 0 3 307.397 3.610 40 0 DHABHN O=C(Nc1ccccc1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038849216 183010948 /nfs/dbraw/zinc/01/09/48/183010948.db2.gz SCBQQUWCBLSALZ-INIZCTEOSA-N 0 3 312.388 3.676 40 0 DHABHN CCCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038858874 183012289 /nfs/dbraw/zinc/01/22/89/183012289.db2.gz PPUGDHNYFHLAAI-INIZCTEOSA-N 0 3 322.880 3.858 40 0 DHABHN N[C@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 ZINC000072225775 257123066 /nfs/dbraw/zinc/12/30/66/257123066.db2.gz CRSAWGDBPMTJRA-OAQYLSRUSA-N 0 3 315.420 3.692 40 0 DHABHN CCN(CC)CCC(=O)c1ccc2c(c1)n(C)c1c2CCCC1 ZINC000002022223 563297582 /nfs/dbraw/zinc/29/75/82/563297582.db2.gz FJQRRECHJMUSKG-UHFFFAOYSA-N 0 3 312.457 3.972 40 0 DHABHN Fc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)cc1 ZINC000012085377 563361889 /nfs/dbraw/zinc/36/18/89/563361889.db2.gz LPXOVGUCSUIEGK-WDYCEAGBSA-N 0 3 312.388 3.653 40 0 DHABHN COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2Cc2cccnc2)cc1 ZINC000012085384 563362024 /nfs/dbraw/zinc/36/20/24/563362024.db2.gz AWCDBPOHAKXSBK-FUHIMQAGSA-N 0 3 324.424 3.522 40 0 DHABHN COc1ccc(CN(C)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000031912123 563441447 /nfs/dbraw/zinc/44/14/47/563441447.db2.gz QOWAEAOVVVVSBP-QGZVFWFLSA-N 0 3 305.805 3.514 40 0 DHABHN COCC[C@@H]1Cn2cccc2CN(Cc2ccc(C)s2)C1 ZINC000585094659 563516052 /nfs/dbraw/zinc/51/60/52/563516052.db2.gz RVEOTJGUXUKPEF-HNNXBMFYSA-N 0 3 304.459 3.527 40 0 DHABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2F)CC1 ZINC000100809282 563632604 /nfs/dbraw/zinc/63/26/04/563632604.db2.gz VJOIHOVMAVSBHN-GASCZTMLSA-N 0 3 322.424 3.751 40 0 DHABHN CCCc1nnc([C@H]2CCN(Cc3cnc4ccccc4c3)C2)o1 ZINC000049170275 563700984 /nfs/dbraw/zinc/70/09/84/563700984.db2.gz PIKNWHNJLJJNPO-INIZCTEOSA-N 0 3 322.412 3.560 40 0 biogenic,in-vitro DHABHN CCOc1cc(C=O)ccc1OCCCN1[C@H](C)CCC[C@@H]1C ZINC000217791663 563714797 /nfs/dbraw/zinc/71/47/97/563714797.db2.gz ZZCSTKNPMXZFKC-IYBDPMFKSA-N 0 3 319.445 3.930 40 0 DHABHN Cc1ccc(OC[C@@H](O)CN2CCC(C)CC2)c(C(C)(C)C)c1 ZINC000027531031 563812408 /nfs/dbraw/zinc/81/24/08/563812408.db2.gz XVLCCMGLLHQIMU-KRWDZBQOSA-N 0 3 319.489 3.764 40 0 DHABHN Clc1cccc(CN2CC[C@H](c3nc4cccnc4[nH]3)C2)c1 ZINC000035442891 563867352 /nfs/dbraw/zinc/86/73/52/563867352.db2.gz AZHUSTCPKRGEMA-ZDUSSCGKSA-N 0 3 312.804 3.601 40 0 biogenic,in-vitro DHABHN COc1ccc(C)cc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010336563 563922679 /nfs/dbraw/zinc/92/26/79/563922679.db2.gz MMMWJAGYWZBCMQ-UHFFFAOYSA-N 0 3 324.424 3.852 40 0 DHABHN CN1CCN(c2ccc(Nc3ccnc4ccccc43)cc2)CC1 ZINC000001507915 568421641 /nfs/dbraw/zinc/42/16/41/568421641.db2.gz RXXDJBWYJTWSKV-UHFFFAOYSA-N 0 3 318.424 3.730 40 0 in-vivo DHABHN CC(C)[C@H](N)C(=O)N(Cc1cc(Cl)ccc1Cl)C(C)C ZINC000079420399 185170723 /nfs/dbraw/zinc/17/07/23/185170723.db2.gz ZXZFTCLYQXPIKU-AWEZNQCLSA-N 0 3 317.260 3.714 40 0 DHABHN CCOC(=O)[C@H]1CN[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 ZINC000003845407 181048615 /nfs/dbraw/zinc/04/86/15/181048615.db2.gz VRGSYPCBWQRFQZ-CEXWTWQISA-N 0 3 309.409 3.684 40 0 DHABHN C[C@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000004404509 181107532 /nfs/dbraw/zinc/10/75/32/181107532.db2.gz YLQSFTKJKOZBBJ-LPHOPBHVSA-N 0 3 315.457 3.988 40 0 DHABHN CN1CCC([C@H]2COC2(c2ccccc2)c2ccccc2)CC1 ZINC000004395597 181106503 /nfs/dbraw/zinc/10/65/03/181106503.db2.gz PYYYJPPJCMMYFY-HXUWFJFHSA-N 0 3 307.437 3.918 40 0 DHABHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C\c1ccccc1 ZINC000005640764 181267446 /nfs/dbraw/zinc/26/74/46/181267446.db2.gz OVQQEGZJIGLKBO-SGUKPQGJSA-N 0 3 321.420 3.861 40 0 DHABHN Fc1ccccc1CN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000257313510 203038862 /nfs/dbraw/zinc/03/88/62/203038862.db2.gz USWQNEPQEGHABZ-MRXNPFEDSA-N 0 3 323.371 3.865 40 0 DHABHN C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008497950 181560536 /nfs/dbraw/zinc/56/05/36/181560536.db2.gz KPOOIBQZDBRICH-LBPRGKRZSA-N 0 3 323.795 3.529 40 0 DHABHN c1csc(-c2noc([C@H]3CCN(Cc4ccsc4)C3)n2)c1 ZINC000019344697 182117792 /nfs/dbraw/zinc/11/77/92/182117792.db2.gz KOIGCNRRLSWDRI-LBPRGKRZSA-N 0 3 317.439 3.849 40 0 DHABHN c1csc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019343386 182116593 /nfs/dbraw/zinc/11/65/93/182116593.db2.gz PMLQNIZCWSWBAX-LLVKDONJSA-N 0 3 317.439 3.849 40 0 DHABHN CN(C)CCN(Cc1cccs1)Cc1cccc(F)c1F ZINC000019582604 182132006 /nfs/dbraw/zinc/13/20/06/182132006.db2.gz AERPJKIUYCTAGO-UHFFFAOYSA-N 0 3 310.413 3.590 40 0 DHABHN Clc1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019788321 182148355 /nfs/dbraw/zinc/14/83/55/182148355.db2.gz XLOBFAUBASFTED-SOLBZPMBSA-N 0 3 316.876 3.670 40 0 DHABHN CC1CCN(Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1 ZINC000020458328 182219968 /nfs/dbraw/zinc/21/99/68/182219968.db2.gz CRQLOPTZWLAULS-UHFFFAOYSA-N 0 3 314.473 3.981 40 0 DHABHN COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038835061 183011665 /nfs/dbraw/zinc/01/16/65/183011665.db2.gz UIWJFMRYTWLCSC-KRWDZBQOSA-N 0 3 324.424 3.546 40 0 DHABHN COc1ccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1 ZINC000012236400 563365331 /nfs/dbraw/zinc/36/53/31/563365331.db2.gz LSBHUEHEOSZKOE-GOSISDBHSA-N 0 3 307.397 3.909 40 0 DHABHN Fc1ccc(COc2cccc(CNC[C@@H]3CCCO3)c2)cc1 ZINC000016399571 563412350 /nfs/dbraw/zinc/41/23/50/563412350.db2.gz VMRITMKYJJENJI-IBGZPJMESA-N 0 3 315.388 3.673 40 0 DHABHN O=C(NCC1CCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000027623863 563428786 /nfs/dbraw/zinc/42/87/86/563428786.db2.gz QUHVOTWMXAYXHV-UHFFFAOYSA-N 0 3 314.473 3.983 40 0 DHABHN c1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cs1 ZINC000096056999 563532015 /nfs/dbraw/zinc/53/20/15/563532015.db2.gz WMUHCITWGNZEDZ-QZTJIDSGSA-N 0 3 321.486 3.546 40 0 DHABHN Fc1ccc(CN2CC3(C2)CCN(Cc2ccsc2)C3)cc1 ZINC000096046486 563532469 /nfs/dbraw/zinc/53/24/69/563532469.db2.gz YBVNJTZTOBSCOU-UHFFFAOYSA-N 0 3 316.445 3.595 40 0 DHABHN Cc1cc([C@@H]2c3ccccc3CCCN2[C@@H]2CCOC2)ccn1 ZINC000096260791 563536302 /nfs/dbraw/zinc/53/63/02/563536302.db2.gz OPOOVEDFDNTLAZ-UYAOXDASSA-N 0 3 308.425 3.517 40 0 DHABHN CCOc1cc(C=O)ccc1OCCCN1CCCC[C@H]1C ZINC000008731556 563644219 /nfs/dbraw/zinc/64/42/19/563644219.db2.gz WCRUZAIOHJLYKG-OAHLLOKOSA-N 0 3 305.418 3.541 40 0 DHABHN CC1(C)[C@H](C[C@@H]2OC[C@@H](CN3CCCCC3)O2)[C@@H]2CC[C@H]1C2 ZINC000012318022 563711410 /nfs/dbraw/zinc/71/14/10/563711410.db2.gz IUQYLYYXKZJRJM-CWQOZTLDSA-N 0 3 307.478 3.676 40 0 DHABHN Cc1cnc(-c2cc([C@H]3CCCN(C(C)C)C3)nc(C)n2)s1 ZINC000257262491 563792533 /nfs/dbraw/zinc/79/25/33/563792533.db2.gz LLPMZCVFVLWWLW-AWEZNQCLSA-N 0 3 316.474 3.805 40 0 DHABHN CCN1CCN(Cc2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000216789617 563851868 /nfs/dbraw/zinc/85/18/68/563851868.db2.gz LXWPYHHTRWNUQL-UHFFFAOYSA-N 0 3 321.424 3.632 40 0 DHABHN Cc1ccccc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072366756 191137497 /nfs/dbraw/zinc/13/74/97/191137497.db2.gz ZCIXBNJDXNNAEG-LJQANCHMSA-N 0 3 318.424 3.913 40 0 DHABHN C[C@@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004416229 181108004 /nfs/dbraw/zinc/10/80/04/181108004.db2.gz KMIMUNJWKNUUOF-YTQUADARSA-N 0 3 313.441 3.764 40 0 DHABHN CC[C@@H](OC[C@@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1 ZINC000006356121 181333894 /nfs/dbraw/zinc/33/38/94/181333894.db2.gz QPXDBTYBCYZQBM-FFZOFVMBSA-N 0 3 313.441 3.866 40 0 DHABHN CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCCN(C)C2)s1 ZINC000257321566 203045002 /nfs/dbraw/zinc/04/50/02/203045002.db2.gz WCEVAGSOBRGBTH-CYBMUJFWSA-N 0 3 316.474 3.608 40 0 DHABHN Fc1ccc(COc2ccccc2CNC[C@@H]2CCCO2)cc1 ZINC000016449636 182044921 /nfs/dbraw/zinc/04/49/21/182044921.db2.gz CCVZNTNGGAYUMJ-SFHVURJKSA-N 0 3 315.388 3.673 40 0 DHABHN CCC[C@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020038731 182183046 /nfs/dbraw/zinc/18/30/46/182183046.db2.gz MCHXLEZGLRTCAK-INIZCTEOSA-N 0 3 302.462 3.837 40 0 DHABHN COc1ccc2ccccc2c1CNC[C@H](O)c1ccccc1 ZINC000022076117 182308163 /nfs/dbraw/zinc/30/81/63/182308163.db2.gz NHKBCGFFWHWTST-IBGZPJMESA-N 0 3 307.393 3.672 40 0 DHABHN CCOP(=O)(OCC)[C@@]1(CCc2ccccc2)CCCN1 ZINC000065740227 184378392 /nfs/dbraw/zinc/37/83/92/184378392.db2.gz CXXMSYDQTYFTPW-MRXNPFEDSA-N 0 3 311.362 3.965 40 0 in-vitro DHABHN CC(C)N1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214498 257126002 /nfs/dbraw/zinc/12/60/02/257126002.db2.gz AFQONVVXEXFGSM-HNNXBMFYSA-N 0 3 319.449 3.998 40 0 DHABHN CCCNCc1cccc(OC)c1OCc1ccccc1F ZINC000007262409 333003098 /nfs/dbraw/zinc/00/30/98/333003098.db2.gz VEEQSVIIXSMXIU-UHFFFAOYSA-N 0 3 303.377 3.913 40 0 DHABHN CCCNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000007262406 333003148 /nfs/dbraw/zinc/00/31/48/333003148.db2.gz CFTYPRDZDXKMOS-UHFFFAOYSA-N 0 3 303.377 3.913 40 0 DHABHN CC(C)CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220604 563430998 /nfs/dbraw/zinc/43/09/98/563430998.db2.gz HSRPEUGEXWGWCQ-INIZCTEOSA-N 0 3 322.880 3.714 40 0 DHABHN CN1CCC(OC2c3ccccc3CCc3ccccc32)CC1 ZINC000001482083 563284834 /nfs/dbraw/zinc/28/48/34/563284834.db2.gz MNIZCABHARMLFF-UHFFFAOYSA-N 0 3 307.437 3.985 40 0 in-man DHABHN CN(C)CCOc1cc2c(c3ccccc13)-c1ccccc1[C@H]2O ZINC000001618115 563287953 /nfs/dbraw/zinc/28/79/53/563287953.db2.gz AMLZJBJUPQPFNG-OAQYLSRUSA-N 0 3 319.404 3.842 40 0 DHABHN COc1ccc(CN(C)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000031912127 563441338 /nfs/dbraw/zinc/44/13/38/563441338.db2.gz QOWAEAOVVVVSBP-KRWDZBQOSA-N 0 3 305.805 3.514 40 0 DHABHN CC[C@H](OC[C@@H](O)CN[C@H](C)c1ccccc1)c1ccccc1 ZINC000248261142 563480355 /nfs/dbraw/zinc/48/03/55/563480355.db2.gz QPXDBTYBCYZQBM-UXPWSPDFSA-N 0 3 313.441 3.866 40 0 DHABHN Cc1ccc(C(=O)N2CCC[C@]3(CCN3CC(C)C)C2)c(C)c1 ZINC000585102257 563516703 /nfs/dbraw/zinc/51/67/03/563516703.db2.gz VSLLAZNIUYGVKZ-FQEVSTJZSA-N 0 3 314.473 3.640 40 0 DHABHN CCOCC[C@H]1CCOC12CCN(Cc1ccc(C)s1)CC2 ZINC000585104669 563516994 /nfs/dbraw/zinc/51/69/94/563516994.db2.gz KTQZAOGTXCAOEY-INIZCTEOSA-N 0 3 323.502 3.854 40 0 DHABHN O=C1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)N1c1ccccc1 ZINC000096056618 563532762 /nfs/dbraw/zinc/53/27/62/563532762.db2.gz NVUCVMYGGGMDFM-RTBURBONSA-N 0 3 324.399 3.596 40 0 DHABHN CCN1C(=O)CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096080217 563533518 /nfs/dbraw/zinc/53/35/18/563533518.db2.gz VGGXDPOMXKDDID-UHFFFAOYSA-N 0 3 324.424 3.570 40 0 DHABHN Cc1cccc(CN2CCC3(CC(OCC(C)C)C3)CC2)n1 ZINC000096159308 563534738 /nfs/dbraw/zinc/53/47/38/563534738.db2.gz ASWDUPKIUNLTHP-UHFFFAOYSA-N 0 3 302.462 3.807 40 0 DHABHN Cc1ccc(CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000013998582 563549489 /nfs/dbraw/zinc/54/94/89/563549489.db2.gz XZVXFKVUBIXPJC-UHFFFAOYSA-N 0 3 306.409 3.743 40 0 DHABHN CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C[C@H]1OC[C@@H](CN2CCCCC2)O1 ZINC000002293876 563621480 /nfs/dbraw/zinc/62/14/80/563621480.db2.gz IUQYLYYXKZJRJM-PNKHAZJDSA-N 0 3 307.478 3.676 40 0 DHABHN CNc1cccc(CC[C@H]2CCCCN2Cc2ccccn2)n1 ZINC000257227698 563790815 /nfs/dbraw/zinc/79/08/15/563790815.db2.gz FQMQOAPBKDLIHM-GOSISDBHSA-N 0 3 310.445 3.506 40 0 DHABHN CC(C)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257235356 563791586 /nfs/dbraw/zinc/79/15/86/563791586.db2.gz GXMHMWOCXKXXDZ-HNNXBMFYSA-N 0 3 302.393 3.992 40 0 DHABHN CCN1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000000057474 563820283 /nfs/dbraw/zinc/82/02/83/563820283.db2.gz KTHVBAZBLKXIHZ-LJQANCHMSA-N 0 3 323.436 3.846 40 0 in-man DHABHN CN1C(=O)CCCC[C@H]2N(Cc3ccccc3Cl)CC[C@]21C ZINC000019713755 563922810 /nfs/dbraw/zinc/92/28/10/563922810.db2.gz MPTKDMXRPPCRBT-SJLPKXTDSA-N 0 3 320.864 3.705 40 0 DHABHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCCCC2)cc1 ZINC000010371648 563927916 /nfs/dbraw/zinc/92/79/16/563927916.db2.gz MMZKXUHMCCLEBY-QXAKKESOSA-N 0 3 312.457 3.591 40 0 DHABHN Cc1cc(C)nc([C@@H]2CCN(Cc3ccc4ncccc4c3)C2)n1 ZINC000072369683 191140004 /nfs/dbraw/zinc/14/00/04/191140004.db2.gz OOXUUHKKYCPNNK-GOSISDBHSA-N 0 3 318.424 3.631 40 0 DHABHN Cc1ncccc1Oc1nccnc1C1CCN(C(C)C)CC1 ZINC000072383512 191144044 /nfs/dbraw/zinc/14/40/44/191144044.db2.gz JOEGMWORKJBMNC-UHFFFAOYSA-N 0 3 312.417 3.560 40 0 DHABHN c1cnc2[nH]c(C3CCCC3)c(CN3CCSCC3)c2c1 ZINC000072393344 191148917 /nfs/dbraw/zinc/14/89/17/191148917.db2.gz UGUDJZIJXYFULJ-UHFFFAOYSA-N 0 3 301.459 3.769 40 0 DHABHN CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCC(C)CC1 ZINC000002694419 180947164 /nfs/dbraw/zinc/94/71/64/180947164.db2.gz ZGDNITHMLAZCBL-IRXDYDNUSA-N 0 3 305.462 3.672 40 0 DHABHN CCN(CC)C[C@@H](OC(=O)c1ccc(N)cc1)c1ccccc1 ZINC000005840076 181288195 /nfs/dbraw/zinc/28/81/95/181288195.db2.gz PEBXPUDNDKRUQN-GOSISDBHSA-N 0 3 312.413 3.509 40 0 DHABHN CN(C(=O)Cc1ccccc1)[C@@H](CN1CCCC1)c1ccccc1 ZINC000006625489 181362202 /nfs/dbraw/zinc/36/22/02/181362202.db2.gz OVZWUDZIAAHNFG-FQEVSTJZSA-N 0 3 322.452 3.525 40 0 in-vitro DHABHN Cc1cncc(C2CCN(Cc3cccc4cccnc43)CC2)n1 ZINC000257278694 203005361 /nfs/dbraw/zinc/00/53/61/203005361.db2.gz ODGJMSYYWKWOCO-UHFFFAOYSA-N 0 3 318.424 3.713 40 0 DHABHN Cc1c2ccccn2c(CN2CCN(C)CC2)c1-c1ccccc1 ZINC000019681889 182136673 /nfs/dbraw/zinc/13/66/73/182136673.db2.gz DSPJQDCDDXBRNP-UHFFFAOYSA-N 0 3 319.452 3.662 40 0 DHABHN Cc1nn(C)cc1CN1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000019583823 182132391 /nfs/dbraw/zinc/13/23/91/182132391.db2.gz DJSIWXHDFNKWOY-GOSISDBHSA-N 0 3 320.440 3.656 40 0 DHABHN Brc1ccc([C@@H]2C[C@@H]2CN2CCSCC2)cc1 ZINC000575424335 563856997 /nfs/dbraw/zinc/85/69/97/563856997.db2.gz ZFJMTEABFKBRAP-OCCSQVGLSA-N 0 3 312.276 3.601 40 0 DHABHN CCN(CC)CCOC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001590761 563286989 /nfs/dbraw/zinc/28/69/89/563286989.db2.gz OYFCCEIURUOVCE-UHFFFAOYSA-N 0 3 305.205 3.884 40 0 DHABHN CCOC(=O)c1c(C)[nH]c(CN[C@@H](C)c2ccccc2)c1C ZINC000001679633 563290449 /nfs/dbraw/zinc/29/04/49/563290449.db2.gz IVGXWYFHTIPERG-ZDUSSCGKSA-N 0 3 300.402 3.659 40 0 DHABHN C[C@@H]1CC(C)(C)N(C(=O)CNC2CCCC2)c2ccccc21 ZINC000035311379 563331948 /nfs/dbraw/zinc/33/19/48/563331948.db2.gz CHCFMQIVMMNEOY-CQSZACIVSA-N 0 3 300.446 3.838 40 0 DHABHN C[C@@H](O)CNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008535042 563347165 /nfs/dbraw/zinc/34/71/65/563347165.db2.gz HQIIIXLJDAIIOS-MRXNPFEDSA-N 0 3 321.420 3.889 40 0 DHABHN COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2Cc2cccnc2)cc1 ZINC000012085385 563361593 /nfs/dbraw/zinc/36/15/93/563361593.db2.gz AWCDBPOHAKXSBK-SQGPQFPESA-N 0 3 324.424 3.522 40 0 DHABHN c1cc(CN2CC3(C2)CCN(Cc2ccsc2)C3)cs1 ZINC000096046482 563532356 /nfs/dbraw/zinc/53/23/56/563532356.db2.gz SIGINFWLOWLZFR-UHFFFAOYSA-N 0 3 304.484 3.518 40 0 DHABHN O=C1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)N1c1ccccc1 ZINC000096056615 563532459 /nfs/dbraw/zinc/53/24/59/563532459.db2.gz JQNYKFFYIBZMMY-IAGOWNOFSA-N 0 3 312.438 3.518 40 0 DHABHN CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccco1)CC2 ZINC000096049266 563532622 /nfs/dbraw/zinc/53/26/22/563532622.db2.gz XEIBQIWRINVXMF-UHFFFAOYSA-N 0 3 318.461 3.530 40 0 DHABHN NC[C@@H](NC(=O)OCc1ccccc1)c1ccc2ccccc2c1 ZINC000096295490 563536402 /nfs/dbraw/zinc/53/64/02/563536402.db2.gz ODGSWXASIYSMHB-LJQANCHMSA-N 0 3 320.392 3.766 40 0 DHABHN CC[C@@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000008326318 563642390 /nfs/dbraw/zinc/64/23/90/563642390.db2.gz ODNXQJXEAWVLML-KRWDZBQOSA-N 0 3 319.832 3.780 40 0 DHABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 ZINC000248084139 563782753 /nfs/dbraw/zinc/78/27/53/563782753.db2.gz AXBXJEBMMWIAMQ-MOPGFXCFSA-N 0 3 312.482 3.596 40 0 DHABHN Cc1cn(C)c([C@H]2CCN(Cc3cccc(OC(C)C)c3)C2)n1 ZINC000257210507 563789883 /nfs/dbraw/zinc/78/98/83/563789883.db2.gz BUYJOULVWLADLA-KRWDZBQOSA-N 0 3 313.445 3.505 40 0 DHABHN Cc1cn(C)c([C@@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257220301 563790712 /nfs/dbraw/zinc/79/07/12/563790712.db2.gz DKHXYHFKDQLUGA-CQSZACIVSA-N 0 3 323.362 3.737 40 0 DHABHN Cc1nc(NC2CC2)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000328982786 563832656 /nfs/dbraw/zinc/83/26/56/563832656.db2.gz HCGREAFHHROPRA-UHFFFAOYSA-N 0 3 314.820 3.575 40 0 DHABHN CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C[C@@H]1OC[C@@H](CN2CCCCC2)O1 ZINC000012436769 563920971 /nfs/dbraw/zinc/92/09/71/563920971.db2.gz IUQYLYYXKZJRJM-OBVSXPTNSA-N 0 3 307.478 3.676 40 0 DHABHN CN1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000074713411 185011629 /nfs/dbraw/zinc/01/16/29/185011629.db2.gz AGYXYDWOVDIBJE-UHFFFAOYSA-N 0 3 310.397 3.759 40 0 DHABHN c1cn(-c2cccc([C@H]3CCCN3Cc3ccccc3)n2)cn1 ZINC000072355455 191128961 /nfs/dbraw/zinc/12/89/61/191128961.db2.gz LWRXQJMDJMUFGO-GOSISDBHSA-N 0 3 304.397 3.604 40 0 DHABHN C[C@H](CN(C)Cc1ccccc1)OC(=O)c1cccc(F)c1 ZINC000003314827 181003464 /nfs/dbraw/zinc/00/34/64/181003464.db2.gz SWTLROFEBUFYHZ-CQSZACIVSA-N 0 3 301.361 3.503 40 0 DHABHN CN(C)[C@H]1c2ccccc2-c2ccc(NC(=O)C(F)(F)F)cc21 ZINC000004975126 181182357 /nfs/dbraw/zinc/18/23/57/181182357.db2.gz NQIVGJNQMGRQER-HNNXBMFYSA-N 0 3 320.314 3.819 40 0 DHABHN CC[C@@H](C)CN1CCc2c(c3c(c(OC)c2OC)CCC3)C1 ZINC000006411713 181339117 /nfs/dbraw/zinc/33/91/17/181339117.db2.gz SHQNLVNFWJVLHR-CYBMUJFWSA-N 0 3 303.446 3.597 40 0 DHABHN CCOc1cc(CNC[C@H]2CCCO2)ccc1OC1CCCC1 ZINC000225158094 201689992 /nfs/dbraw/zinc/68/99/92/201689992.db2.gz AWPLRKNXUDOROE-QGZVFWFLSA-N 0 3 319.445 3.675 40 0 DHABHN CN(C)c1ncc(CN2CCCC[C@@H]2CCc2ccccc2)cn1 ZINC000019585525 182132470 /nfs/dbraw/zinc/13/24/70/182132470.db2.gz XLYXVIUTSXOFJR-LJQANCHMSA-N 0 3 324.472 3.530 40 0 DHABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000037817057 182928516 /nfs/dbraw/zinc/92/85/16/182928516.db2.gz WPRYWCOBIGKQKG-AWEZNQCLSA-N 0 3 317.260 3.714 40 0 DHABHN CC1CCN(Cc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 ZINC000038835708 183011502 /nfs/dbraw/zinc/01/15/02/183011502.db2.gz AJEWILLVKAYXNT-UHFFFAOYSA-N 0 3 314.473 3.791 40 0 DHABHN OC[C@H](c1ccc(OCc2ccccc2)cc1)N1CCCCC1 ZINC000070453343 257128357 /nfs/dbraw/zinc/12/83/57/257128357.db2.gz JZABXBFHQGMQOR-HXUWFJFHSA-N 0 3 311.425 3.785 40 0 DHABHN C[C@@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000001683407 563291475 /nfs/dbraw/zinc/29/14/75/563291475.db2.gz CNFNVXPDSNSPKW-LPHOPBHVSA-N 0 3 315.457 3.988 40 0 DHABHN CC(C)(CO)NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000006883150 563334713 /nfs/dbraw/zinc/33/47/13/563334713.db2.gz XCRMGPHCRSIBGH-UHFFFAOYSA-N 0 3 319.832 3.780 40 0 DHABHN c1coc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 ZINC000096061583 563532344 /nfs/dbraw/zinc/53/23/44/563532344.db2.gz LJFIOMAENHKCML-VQTJNVASSA-N 0 3 311.425 3.892 40 0 DHABHN CCCC(=O)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1 ZINC000096075313 563533295 /nfs/dbraw/zinc/53/32/95/563533295.db2.gz HRFGEFXKHNCNSV-UHFFFAOYSA-N 0 3 318.436 3.583 40 0 DHABHN c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cs1 ZINC000107751972 563567140 /nfs/dbraw/zinc/56/71/40/563567140.db2.gz WMUHCITWGNZEDZ-ROUUACIJSA-N 0 3 321.486 3.546 40 0 DHABHN O[C@H](CN1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000001600852 563633945 /nfs/dbraw/zinc/63/39/45/563633945.db2.gz LVJSAEQFGSKBLO-OAQYLSRUSA-N 0 3 303.405 3.932 40 0 DHABHN COCCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000008469236 563643441 /nfs/dbraw/zinc/64/34/41/563643441.db2.gz KBQWQEYMLBZAHR-UHFFFAOYSA-N 0 3 305.805 3.655 40 0 DHABHN COCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008469107 563643661 /nfs/dbraw/zinc/64/36/61/563643661.db2.gz DXYHAYGYXYCSAK-UHFFFAOYSA-N 0 3 323.795 3.794 40 0 DHABHN Nc1ccc2nc(CCCCc3nc4ccccc4[nH]3)[nH]c2c1 ZINC000013119431 563657354 /nfs/dbraw/zinc/65/73/54/563657354.db2.gz WPMYFTCNGLGMAF-UHFFFAOYSA-N 0 3 305.385 3.587 40 0 DHABHN CC(C)[C@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000225213890 563750293 /nfs/dbraw/zinc/75/02/93/563750293.db2.gz PXANPXARFXANLY-INIZCTEOSA-N 0 3 302.462 3.693 40 0 DHABHN Cc1cncc(C2CCN(Cc3ccc4ncccc4c3)CC2)n1 ZINC000257239448 563791336 /nfs/dbraw/zinc/79/13/36/563791336.db2.gz HPHHDDYDGFBAPP-UHFFFAOYSA-N 0 3 318.424 3.713 40 0 DHABHN C[C@@H]1CN(C[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000575421951 563857068 /nfs/dbraw/zinc/85/70/68/563857068.db2.gz DDYRRJSHTGELEI-UNIGVISCSA-N 0 3 324.262 3.662 40 0 DHABHN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCCCC2)cc1 ZINC000010371652 563927932 /nfs/dbraw/zinc/92/79/32/563927932.db2.gz MMZKXUHMCCLEBY-UHOSZYNNSA-N 0 3 312.457 3.591 40 0 DHABHN c1nc([C@@H]2CCCN2CC2CC2)c2ccc(-c3cccnc3)cn12 ZINC000306144876 231092609 /nfs/dbraw/zinc/09/26/09/231092609.db2.gz ZREWWLONGKQZMM-SFHVURJKSA-N 0 3 318.424 3.943 40 0 DHABHN C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000072881651 191246789 /nfs/dbraw/zinc/24/67/89/191246789.db2.gz VZAVSTGRAXDHEW-AWEZNQCLSA-N 0 3 302.462 3.503 40 0 DHABHN C[C@@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004416227 181108227 /nfs/dbraw/zinc/10/82/27/181108227.db2.gz KMIMUNJWKNUUOF-WDSOQIARSA-N 0 3 313.441 3.764 40 0 DHABHN CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccccc2F)C1 ZINC000089212721 192742253 /nfs/dbraw/zinc/74/22/53/192742253.db2.gz WSHIXPRCKVXCHM-CQSZACIVSA-N 0 3 322.424 3.562 40 0 DHABHN CCOC(=O)c1c(C)[nH]c(CN[C@H](C)c2ccccc2)c1C ZINC000006403582 181338148 /nfs/dbraw/zinc/33/81/48/181338148.db2.gz IVGXWYFHTIPERG-CYBMUJFWSA-N 0 3 300.402 3.659 40 0 DHABHN CN(C)CCN(Cc1cccs1)Cc1ccc(F)c(F)c1 ZINC000019582539 182132590 /nfs/dbraw/zinc/13/25/90/182132590.db2.gz AOHOWQXLKJTPSV-UHFFFAOYSA-N 0 3 310.413 3.590 40 0 DHABHN Cc1ccc(CN(CCN(C)C)Cc2cccs2)cc1C ZINC000022914979 182340807 /nfs/dbraw/zinc/34/08/07/182340807.db2.gz OAQJBMQRALQFMN-UHFFFAOYSA-N 0 3 302.487 3.929 40 0 DHABHN O=C(OCc1ccccc1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000039952198 183023971 /nfs/dbraw/zinc/02/39/71/183023971.db2.gz YEJYYIHYDOLTNI-LJQANCHMSA-N 0 3 324.424 3.577 40 0 DHABHN COc1ccc(Cl)cc1CN[C@H](C)[C@@H](O)c1ccccc1 ZINC000022076436 563713998 /nfs/dbraw/zinc/71/39/98/563713998.db2.gz RVTKBHTVBGBRTR-SJKOYZFVSA-N 0 3 305.805 3.560 40 0 DHABHN CC[C@@H](C)[C@H](C(=O)OC1CCN(CC)CC1)c1ccccc1 ZINC000001726498 563293951 /nfs/dbraw/zinc/29/39/51/563293951.db2.gz UBWAHRVZHIOXEQ-QAPCUYQASA-N 0 3 303.446 3.844 40 0 DHABHN CC(C)c1ccccc1OC[C@H](O)CN[C@H](C)c1ccccc1 ZINC000002694370 563311362 /nfs/dbraw/zinc/31/13/62/563311362.db2.gz RKIYHUWPPCZGFT-SJLPKXTDSA-N 0 3 313.441 3.901 40 0 DHABHN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCC(C)CC1 ZINC000002694418 563312052 /nfs/dbraw/zinc/31/20/52/563312052.db2.gz ZGDNITHMLAZCBL-SJORKVTESA-N 0 3 305.462 3.672 40 0 DHABHN C[C@H](O)CNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008497860 563347226 /nfs/dbraw/zinc/34/72/26/563347226.db2.gz HQIIIXLJDAIIOS-INIZCTEOSA-N 0 3 321.420 3.889 40 0 DHABHN COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2ccccn2)c1 ZINC000012085291 563362012 /nfs/dbraw/zinc/36/20/12/563362012.db2.gz YBKLQPLDFPGHIL-VPWXQRGCSA-N 0 3 324.424 3.522 40 0 DHABHN Cc1ccc(CN2CC3(C2)CCN(Cc2ccsc2)C3)s1 ZINC000096046485 563532026 /nfs/dbraw/zinc/53/20/26/563532026.db2.gz CGQMNQWHHLCTTQ-UHFFFAOYSA-N 0 3 318.511 3.826 40 0 DHABHN Cc1ccc(CN2CCC3(C[C@H](OCC4CC4)CO3)CC2)s1 ZINC000096106610 563533092 /nfs/dbraw/zinc/53/30/92/563533092.db2.gz KIWSMMAOOAWICO-INIZCTEOSA-N 0 3 321.486 3.607 40 0 DHABHN O=C1CC[C@@]2(CCCN(Cc3ccsc3)CC2)N1CC1CC1 ZINC000096217936 563535231 /nfs/dbraw/zinc/53/52/31/563535231.db2.gz QAAVJNUUGXNUHR-GOSISDBHSA-N 0 3 318.486 3.505 40 0 DHABHN c1csc(CN2CC[C@]3(C2)CCCN(c2ccccn2)C3)c1 ZINC000096216623 563535580 /nfs/dbraw/zinc/53/55/80/563535580.db2.gz FNNJLNSPGQIVNU-SFHVURJKSA-N 0 3 313.470 3.636 40 0 DHABHN Cc1cccc(CN2CCC3(CN(c4ccccc4)C3=O)CC2)c1 ZINC000096202921 563535851 /nfs/dbraw/zinc/53/58/51/563535851.db2.gz RHRFMXOTZPIRBJ-UHFFFAOYSA-N 0 3 320.436 3.624 40 0 DHABHN CC(C)Cc1ncc(-c2cncc([C@@H]3CCCN(C)C3)n2)s1 ZINC000585260976 563536277 /nfs/dbraw/zinc/53/62/77/563536277.db2.gz LCNMSMCCGZBYCX-CYBMUJFWSA-N 0 3 316.474 3.608 40 0 DHABHN Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)o1 ZINC000049169338 563700881 /nfs/dbraw/zinc/70/08/81/563700881.db2.gz JWXTWMQTVOTBJE-HNNXBMFYSA-N 0 3 309.369 3.628 40 0 biogenic,in-vitro DHABHN CN(C)c1cccc(CC[C@H]2CCCCN2Cc2ccccn2)n1 ZINC000257214190 563790992 /nfs/dbraw/zinc/79/09/92/563790992.db2.gz CKYNWFZOXLBBJJ-LJQANCHMSA-N 0 3 324.472 3.530 40 0 DHABHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000044790128 563923141 /nfs/dbraw/zinc/92/31/41/563923141.db2.gz GYPZEYWXRZTKMK-ZBFHGGJFSA-N 0 3 322.880 3.857 40 0 DHABHN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000044790131 563923222 /nfs/dbraw/zinc/92/32/22/563923222.db2.gz GYPZEYWXRZTKMK-HOCLYGCPSA-N 0 3 322.880 3.857 40 0 DHABHN CCCCNc1c2ccccc2oc(=O)c1CN1CCCC1 ZINC000003177970 563942573 /nfs/dbraw/zinc/94/25/73/563942573.db2.gz QSLNLXJVHSRIOQ-UHFFFAOYSA-N 0 3 300.402 3.601 40 0 DHABHN c1csc([C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000092788602 185341623 /nfs/dbraw/zinc/34/16/23/185341623.db2.gz UYYYEWGRXNOJRQ-HNNXBMFYSA-N 0 3 324.453 3.913 40 0 DHABHN CN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358370 191130263 /nfs/dbraw/zinc/13/02/63/191130263.db2.gz AIOIUVPPLNEVHV-ZDUSSCGKSA-N 0 3 321.346 3.972 40 0 DHABHN Cc1cnc(Nc2nccnc2C2CCN(C(C)C)CC2)s1 ZINC000072365550 191133710 /nfs/dbraw/zinc/13/37/10/191133710.db2.gz OOXLWHIRTQMZFU-UHFFFAOYSA-N 0 3 317.462 3.573 40 0 DHABHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1cccc(F)c1 ZINC000003314825 181003359 /nfs/dbraw/zinc/00/33/59/181003359.db2.gz SWTLROFEBUFYHZ-AWEZNQCLSA-N 0 3 301.361 3.503 40 0 DHABHN c1ccc(CN2CCC3(CC2)CCNc2ccccc2O3)cc1 ZINC000091302040 193035969 /nfs/dbraw/zinc/03/59/69/193035969.db2.gz WDGNVURNCQTMIN-UHFFFAOYSA-N 0 3 308.425 3.916 40 0 DHABHN CCN1CCC[C@@H]1CN(Cc1cccs1)Cc1ccccn1 ZINC000019527165 182128280 /nfs/dbraw/zinc/12/82/80/182128280.db2.gz LPJQELOSUQXACF-QGZVFWFLSA-N 0 3 315.486 3.630 40 0 DHABHN CCN1CCC[C@H]1CN(Cc1cccs1)Cc1ccccn1 ZINC000019527166 182128609 /nfs/dbraw/zinc/12/86/09/182128609.db2.gz LPJQELOSUQXACF-KRWDZBQOSA-N 0 3 315.486 3.630 40 0 DHABHN CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 ZINC000072214452 257126283 /nfs/dbraw/zinc/12/62/83/257126283.db2.gz LCHWPDLITQNXHN-AWEZNQCLSA-N 0 3 305.422 3.610 40 0 DHABHN CCOc1cc(C=O)ccc1OCCCN1CCCCCC1 ZINC000008731499 563644111 /nfs/dbraw/zinc/64/41/11/563644111.db2.gz OFSYJGQMAUCIPH-UHFFFAOYSA-N 0 3 305.418 3.543 40 0 DHABHN COc1ccc(Cl)cc1CN[C@@H](C)[C@H](O)c1ccccc1 ZINC000022076438 563714008 /nfs/dbraw/zinc/71/40/08/563714008.db2.gz RVTKBHTVBGBRTR-SJCJKPOMSA-N 0 3 305.805 3.560 40 0 DHABHN COc1cc(C=O)ccc1OCCCN1[C@H](C)CCC[C@@H]1C ZINC000217791198 563714851 /nfs/dbraw/zinc/71/48/51/563714851.db2.gz FAIPTXGOFBMLBZ-GASCZTMLSA-N 0 3 305.418 3.540 40 0 DHABHN O=C(OCCN1CCCC1)[C@@H](c1ccccc1)[C@@H]1C=CCCC1 ZINC000001712581 563293295 /nfs/dbraw/zinc/29/32/95/563293295.db2.gz WBSQBCKCXJYLSQ-MOPGFXCFSA-N 0 3 313.441 3.766 40 0 DHABHN CC(=O)NC1(c2ccccc2C)CCN(Cc2ccccc2)CC1 ZINC000012113162 563361559 /nfs/dbraw/zinc/36/15/59/563361559.db2.gz ATYCTDYKWXYQMN-UHFFFAOYSA-N 0 3 322.452 3.622 40 0 DHABHN CC1CCN(Cc2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000030755238 563438360 /nfs/dbraw/zinc/43/83/60/563438360.db2.gz ARBBWRDXTUMIJX-UHFFFAOYSA-N 0 3 300.446 3.591 40 0 DHABHN COC[C@@H]1COCCC12CCN(Cc1ccccc1Cl)CC2 ZINC000096106326 563533011 /nfs/dbraw/zinc/53/30/11/563533011.db2.gz DUJXOAQVUZSHNP-MRXNPFEDSA-N 0 3 323.864 3.605 40 0 DHABHN CO[C@H]1CCN(Cc2scnc2C)C[C@@H]1Cc1ccccc1 ZINC000096110497 563533160 /nfs/dbraw/zinc/53/31/60/563533160.db2.gz MFPNBUVLKJQQBL-IRXDYDNUSA-N 0 3 316.470 3.531 40 0 DHABHN c1csc(CN2CC[C@@]3(C2)CCCN(c2ccccn2)C3)c1 ZINC000096216621 563535630 /nfs/dbraw/zinc/53/56/30/563535630.db2.gz FNNJLNSPGQIVNU-GOSISDBHSA-N 0 3 313.470 3.636 40 0 DHABHN Cc1cc([C@H]2c3ccccc3CCCN2[C@H]2CCOC2)ccn1 ZINC000248104090 563782861 /nfs/dbraw/zinc/78/28/61/563782861.db2.gz OPOOVEDFDNTLAZ-ICSRJNTNSA-N 0 3 308.425 3.517 40 0 DHABHN NCc1cnc2c(Cl)cc(Br)cc2c1Cl ZINC000199524437 563914285 /nfs/dbraw/zinc/91/42/85/563914285.db2.gz XZXZFKOGDZRXED-UHFFFAOYSA-N 0 3 305.990 3.763 40 0 DHABHN