smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(CN[C@H]2CCc3ccccc32)cc(C)c1OC(F)F ZINC000096991692 185395311 /nfs/dbraw/zinc/39/53/11/185395311.db2.gz ZFELVPDDCTXTDF-KRWDZBQOSA-N 0 3 317.379 4.682 50 0 DJAAHN COc1ccc([C@@H](C)N[C@H](C)c2ccncc2)c2ccccc12 ZINC000095419208 185359875 /nfs/dbraw/zinc/35/98/75/185359875.db2.gz NGJYDIVEKYFKEB-HUUCEWRRSA-N 0 3 306.409 4.655 50 0 DJAAHN CCc1cc(OCCCN(C)Cc2ccccc2)ccc1Cl ZINC000002825046 180961536 /nfs/dbraw/zinc/96/15/36/180961536.db2.gz DZSCDIGYHXMYGU-UHFFFAOYSA-N 0 3 317.860 4.803 50 0 DJAAHN Cc1cccc(C)c1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000004184886 181083012 /nfs/dbraw/zinc/08/30/12/181083012.db2.gz XRSXJVVASYWXFM-UHFFFAOYSA-N 0 3 322.452 4.542 50 0 DJAAHN Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccccc1 ZINC000004350540 181100935 /nfs/dbraw/zinc/10/09/35/181100935.db2.gz KKJXCUTZQUGEGJ-SFHVURJKSA-N 0 3 310.828 4.989 50 0 DJAAHN CCCc1[nH]c2c(c3nc4ccccc4c1-3)[C@H](O)CC(C)(C)C2 ZINC000005904212 181294827 /nfs/dbraw/zinc/29/48/27/181294827.db2.gz GAXQYQOOCOXVFU-MRXNPFEDSA-N 0 3 308.425 4.674 50 0 biogenic DJAAHN CCCc1nc2c(c3[nH]c4ccccc4c31)[C@H](O)CC(C)(C)C2 ZINC000005904212 181294828 /nfs/dbraw/zinc/29/48/28/181294828.db2.gz GAXQYQOOCOXVFU-MRXNPFEDSA-N 0 3 308.425 4.674 50 0 biogenic DJAAHN Cc1cccc(C)c1OCCCCCCNCc1ccco1 ZINC000006524368 181349451 /nfs/dbraw/zinc/34/94/51/181349451.db2.gz QAWXKFBOMJIBMS-UHFFFAOYSA-N 0 3 301.430 4.625 50 0 DJAAHN c1ccc(SCCCN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006719357 181376390 /nfs/dbraw/zinc/37/63/90/181376390.db2.gz OKQKJELGHSNSRH-LJQANCHMSA-N 0 3 312.482 4.791 50 0 DJAAHN CN(C)CC[C@H](Oc1cccc2ccccc21)c1cccs1 ZINC000021985983 182301356 /nfs/dbraw/zinc/30/13/56/182301356.db2.gz JFTURWWGPMTABQ-SFHVURJKSA-N 0 3 311.450 4.973 50 0 in-vitro DJAAHN COc1ccc(CN[C@@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000022787533 182334618 /nfs/dbraw/zinc/33/46/18/182334618.db2.gz PNYXMFBAZQFVCE-HNNXBMFYSA-N 0 3 321.420 4.708 50 0 DJAAHN COc1cccc(CN[C@@H](c2ccccc2)C(C)(C)C)c1OC ZINC000040088637 183032515 /nfs/dbraw/zinc/03/25/15/183032515.db2.gz HPHJMIQNPKDFRK-IBGZPJMESA-N 0 3 313.441 4.581 50 0 DJAAHN COc1cccc(CN[C@H](c2ccccc2)C(C)(C)C)c1OC ZINC000040088636 183032727 /nfs/dbraw/zinc/03/27/27/183032727.db2.gz HPHJMIQNPKDFRK-LJQANCHMSA-N 0 3 313.441 4.581 50 0 DJAAHN O=C(c1c[nH]c2ccccc12)[C@H](NC1CCCC1)c1ccccc1 ZINC000057392048 184036888 /nfs/dbraw/zinc/03/68/88/184036888.db2.gz JTHWPXMACDTQMJ-HXUWFJFHSA-N 0 3 318.420 4.624 50 0 DJAAHN Cc1cccc2cc(CN[C@H](C)Cc3ccco3)c(Cl)nc12 ZINC000058098843 184075033 /nfs/dbraw/zinc/07/50/33/184075033.db2.gz LINXJGRLFANCEH-CYBMUJFWSA-N 0 3 314.816 4.510 50 0 DJAAHN CCCCn1nc(C)c(CNC[C@@H](C)c2ccccc2)c1Cl ZINC000061013314 184159476 /nfs/dbraw/zinc/15/94/76/184159476.db2.gz DOTNOCQDZXTLCN-CQSZACIVSA-N 0 3 319.880 4.538 50 0 DJAAHN CCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C ZINC000239274823 256601371 /nfs/dbraw/zinc/60/13/71/256601371.db2.gz ASKDBXWNERMDNU-MPMRWZLSSA-N 0 3 323.480 4.876 50 0 DJAAHN COc1ccccc1C1CCN(Cc2ccccc2Cl)CC1 ZINC000000135962 563222338 /nfs/dbraw/zinc/22/23/38/563222338.db2.gz RMNBYKGNVOZKMR-UHFFFAOYSA-N 0 3 315.844 4.728 50 0 DJAAHN COc1ccccc1/C=C/CN1CCC(Cc2ccccc2)CC1 ZINC000001229218 563279873 /nfs/dbraw/zinc/27/98/73/563279873.db2.gz RRYYAESZRUNKNP-YRNVUSSQSA-N 0 3 321.464 4.663 50 0 DJAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1ccccc1Cl ZINC000002514519 563305485 /nfs/dbraw/zinc/30/54/85/563305485.db2.gz HHWNXGOEMLHMNO-UHFFFAOYSA-N 0 3 313.828 4.557 50 0 DJAAHN CC[C@@H](C)NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008325946 563345910 /nfs/dbraw/zinc/34/59/10/563345910.db2.gz CMCBSRZFNMOMNG-CYBMUJFWSA-N 0 3 321.823 4.946 50 0 DJAAHN COc1ccc(CN2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087320 563444360 /nfs/dbraw/zinc/44/43/60/563444360.db2.gz FKOBIOVFDIBBQD-QGZVFWFLSA-N 0 3 301.455 4.874 50 0 DJAAHN C=Cc1ccc(Oc2cc(CN3CCCC3)ccc2OC)cc1 ZINC000067842407 563492408 /nfs/dbraw/zinc/49/24/08/563492408.db2.gz KQAMUXDZRIVDIZ-UHFFFAOYSA-N 0 3 309.409 4.726 50 0 DJAAHN CC(C)NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000010436032 563649072 /nfs/dbraw/zinc/64/90/72/563649072.db2.gz MLKVXTXIVHXSDU-UHFFFAOYSA-N 0 3 307.796 4.556 50 0 DJAAHN COc1ccc(OC)c(CN[C@@H](C)c2cccc3ccccc32)c1 ZINC000025364060 563726727 /nfs/dbraw/zinc/72/67/27/563726727.db2.gz IOTMGINWJQENIO-HNNXBMFYSA-N 0 3 321.420 4.708 50 0 DJAAHN CCC[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C ZINC000239338980 563879939 /nfs/dbraw/zinc/87/99/39/563879939.db2.gz LNIGRARLURFSQQ-OTNPHJDUSA-N 0 3 309.453 4.630 50 0 DJAAHN C[C@H](c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000036389919 563897951 /nfs/dbraw/zinc/89/79/51/563897951.db2.gz PZMKRRTWCFWTMK-ZBFHGGJFSA-N 0 3 324.399 4.908 50 0 DJAAHN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCCCC1 ZINC000007378129 563905491 /nfs/dbraw/zinc/90/54/91/563905491.db2.gz GNTNPPOGASELDA-QGZVFWFLSA-N 0 3 322.452 4.557 50 0 DJAAHN CCCOc1ccccc1CCN1CCCC[C@@H]1c1cccnc1 ZINC000002087513 563913715 /nfs/dbraw/zinc/91/37/15/563913715.db2.gz CXMQRCPGLWUBHZ-HXUWFJFHSA-N 0 3 324.468 4.640 50 0 biogenic DJAAHN CCN(C)Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553850 563918750 /nfs/dbraw/zinc/91/87/50/563918750.db2.gz ZUYHFXCKHPPLSY-UHFFFAOYSA-N 0 3 302.421 4.867 50 0 DJAAHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(Cl)s1 ZINC000095968363 563933274 /nfs/dbraw/zinc/93/32/74/563933274.db2.gz FVEZKNAYLZWNMC-OCCSQVGLSA-N 0 3 309.862 4.566 50 0 DJAAHN Cc1ccc(C(C)C)cc1C1(O)CCN(Cc2ccccc2)CC1 ZINC000096026666 563935056 /nfs/dbraw/zinc/93/50/56/563935056.db2.gz DJHFOYSDBPPELB-UHFFFAOYSA-N 0 3 323.480 4.602 50 0 DJAAHN Cc1cccc(C)c1NC(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000008748706 563950343 /nfs/dbraw/zinc/95/03/43/563950343.db2.gz QOAFCHTUSNQKHL-IEBWSBKVSA-N 0 3 324.468 4.617 50 0 DJAAHN C[C@H](NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1 ZINC000096997329 185395757 /nfs/dbraw/zinc/39/57/57/185395757.db2.gz POCWNSWMMDBTTN-JTQLQIEISA-N 0 3 320.223 4.721 50 0 DJAAHN COc1ccc([C@@H](C)N[C@@H](C)c2ccncc2)c2ccccc12 ZINC000095419207 185359727 /nfs/dbraw/zinc/35/97/27/185359727.db2.gz NGJYDIVEKYFKEB-LSDHHAIUSA-N 0 3 306.409 4.655 50 0 DJAAHN c1ccc2c(c1)oc1c2cccc1CN1CC(c2cccnc2)C1 ZINC000072135288 191047026 /nfs/dbraw/zinc/04/70/26/191047026.db2.gz FKDDHJATVXSIOT-UHFFFAOYSA-N 0 3 314.388 4.580 50 0 DJAAHN Fc1ccc([C@H](NCc2ccnc(Cl)c2)C2CCC2)cc1 ZINC000072273965 191095828 /nfs/dbraw/zinc/09/58/28/191095828.db2.gz WEZQVQWDVLJGAZ-QGZVFWFLSA-N 0 3 304.796 4.505 50 0 DJAAHN c1ccc([C@H]2C3=C(CCCC3)N3CCO[C@@]34CCCC[C@@H]24)cc1 ZINC000004027512 181064174 /nfs/dbraw/zinc/06/41/74/181064174.db2.gz BERGZMFIKZYZDE-SESVDKBCSA-N 0 3 309.453 4.831 50 0 biogenic DJAAHN Cc1cc(C)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1 ZINC000004778463 181151328 /nfs/dbraw/zinc/15/13/28/181151328.db2.gz XINKOHLIHAKPIT-UHFFFAOYSA-N 0 3 322.452 4.542 50 0 DJAAHN C[C@@H](CCc1ccc(O)cc1)NCc1ccc(Cl)cc1Cl ZINC000004989532 181186163 /nfs/dbraw/zinc/18/61/63/181186163.db2.gz GKMDSBTTYAUGLM-LBPRGKRZSA-N 0 3 324.251 4.810 50 0 DJAAHN CCCOc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837442 182020184 /nfs/dbraw/zinc/02/01/84/182020184.db2.gz YYXXAZGHOKZGPJ-HXUWFJFHSA-N 0 3 313.416 4.952 50 0 DJAAHN C[C@@H](N[C@H](C)c1cccc(Br)c1)c1cccs1 ZINC000020148241 182192512 /nfs/dbraw/zinc/19/25/12/182192512.db2.gz JCBUUUZWBBBREJ-GHMZBOCLSA-N 0 3 310.260 4.922 50 0 DJAAHN CC(C)(C)N[C@@H]1C=C(C(C)(C)C)Sc2nc3ccccc3n21 ZINC000022239205 182315288 /nfs/dbraw/zinc/31/52/88/182315288.db2.gz WSMJLIISQBYSAG-HNNXBMFYSA-N 0 3 315.486 4.959 50 0 DJAAHN COc1cccc(CN[C@H](C)c2cccc3ccccc32)c1OC ZINC000022787588 182335281 /nfs/dbraw/zinc/33/52/81/182335281.db2.gz MCOGFDMCYSLUBQ-OAHLLOKOSA-N 0 3 321.420 4.708 50 0 DJAAHN Cc1cccc2cc(CN[C@@H](C)Cc3ccco3)c(Cl)nc12 ZINC000058098835 184074905 /nfs/dbraw/zinc/07/49/05/184074905.db2.gz LINXJGRLFANCEH-ZDUSSCGKSA-N 0 3 314.816 4.510 50 0 DJAAHN Cc1cc2cc(CNC3CCCCC3)c(Cl)nc2cc1C ZINC000013535357 563382447 /nfs/dbraw/zinc/38/24/47/563382447.db2.gz CBPOPLYDISZFGC-UHFFFAOYSA-N 0 3 302.849 4.927 50 0 DJAAHN CC(C)(C)C1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000221067 563231751 /nfs/dbraw/zinc/23/17/51/563231751.db2.gz NUHMSVAMMHSEDG-UHFFFAOYSA-N 0 3 318.480 4.553 50 0 DJAAHN CN(C)Cc1ccccc1Sc1cccc(Br)c1 ZINC000000390530 563249228 /nfs/dbraw/zinc/24/92/28/563249228.db2.gz XFOGYZDUEDDHBN-UHFFFAOYSA-N 0 3 322.271 4.662 50 0 DJAAHN CN(C)[C@@H](CCOc1cccc2ccccc21)c1ccccc1 ZINC000001482019 563284734 /nfs/dbraw/zinc/28/47/34/563284734.db2.gz USRHYDPUVLEVMC-FQEVSTJZSA-N 0 3 305.421 4.912 50 0 investigational DJAAHN CCOc1ccc(CN[C@@H](C)c2cccc(OC(C)C)c2)cc1 ZINC000097393636 563345867 /nfs/dbraw/zinc/34/58/67/563345867.db2.gz NLBSYHJQMRZWOR-INIZCTEOSA-N 0 3 313.441 4.723 50 0 DJAAHN CCOc1c(Cl)cc(CNCc2ccccc2)cc1Cl ZINC000010436507 563356731 /nfs/dbraw/zinc/35/67/31/563356731.db2.gz HBMRAZMLXDCATE-UHFFFAOYSA-N 0 3 310.224 4.682 50 0 DJAAHN CC(C)=CCN1CCC[C@@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000011911054 563359924 /nfs/dbraw/zinc/35/99/24/563359924.db2.gz LCFLVTVNBZEGJL-GOSISDBHSA-N 0 3 309.457 4.531 50 0 DJAAHN CCC[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C ZINC000013563297 563383391 /nfs/dbraw/zinc/38/33/91/563383391.db2.gz LNIGRARLURFSQQ-ZXNZYJFHSA-N 0 3 309.453 4.630 50 0 DJAAHN COc1ccc(CN2CCCCC[C@@H]2c2cccs2)cc1O ZINC000033087148 563444021 /nfs/dbraw/zinc/44/40/21/563444021.db2.gz DKVDGSWGZILXQT-OAHLLOKOSA-N 0 3 317.454 4.580 50 0 DJAAHN CC(C)(C)c1ccccc1OCCCCNCc1ccco1 ZINC000003247019 563799996 /nfs/dbraw/zinc/79/99/96/563799996.db2.gz JARSUHAWZUSAKK-UHFFFAOYSA-N 0 3 301.430 4.526 50 0 DJAAHN CCc1ccc([C@@H](C)N[C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000083823616 563812293 /nfs/dbraw/zinc/81/22/93/563812293.db2.gz QWYMQABRNFIAJB-IAGOWNOFSA-N 0 3 319.452 4.847 50 0 DJAAHN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccccc1 ZINC000012877947 563870909 /nfs/dbraw/zinc/87/09/09/563870909.db2.gz UVGMZSZZUWAPHC-HOTGVXAUSA-N 0 3 318.420 4.518 50 0 DJAAHN CC(C)(C)c1ccc(CN2c3ccccc3N3CCCN=C23)cc1 ZINC000001904004 563883819 /nfs/dbraw/zinc/88/38/19/563883819.db2.gz MMFQCCJFVLDKCI-UHFFFAOYSA-N 0 3 319.452 4.570 50 0 DJAAHN Cc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000006929272 563899634 /nfs/dbraw/zinc/89/96/34/563899634.db2.gz SXYGVUVSBXIGJD-KRWDZBQOSA-N 0 3 324.468 4.716 50 0 DJAAHN CCCCN1CCCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000037522430 563918342 /nfs/dbraw/zinc/91/83/42/563918342.db2.gz GAZIFEWQSPHNHA-GOSISDBHSA-N 0 3 302.849 4.737 50 0 DJAAHN Cc1cc(Cl)cc2c(=O)c(CN3CCCCCC3)c(C)[nH]c12 ZINC000011990296 563928472 /nfs/dbraw/zinc/92/84/72/563928472.db2.gz ZNIFLAXDQQSWOT-UHFFFAOYSA-N 0 3 318.848 4.587 50 0 DJAAHN CCCCN(CC)Cc1c(C)[nH]c2c(C)cc(Cl)cc2c1=O ZINC000008717229 563950054 /nfs/dbraw/zinc/95/00/54/563950054.db2.gz CGOIRUUKOBVITG-UHFFFAOYSA-N 0 3 320.864 4.833 50 0 DJAAHN CCCCN(CC)Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O ZINC000008717944 563950164 /nfs/dbraw/zinc/95/01/64/563950164.db2.gz SULDGDVRYALXFD-UHFFFAOYSA-N 0 3 320.864 4.833 50 0 DJAAHN CCCCN(CCCC)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000072314819 191121099 /nfs/dbraw/zinc/12/10/99/191121099.db2.gz DBCCNFJTKPEOEN-UHFFFAOYSA-N 0 3 324.896 4.798 50 0 DJAAHN CN(Cn1c2cc(Cl)ccc2oc1=S)C1CCCCC1 ZINC000003287264 181000974 /nfs/dbraw/zinc/00/09/74/181000974.db2.gz BMRIMGOGSBNCON-UHFFFAOYSA-N 0 3 310.850 4.839 50 0 DJAAHN CC(C)(C)C1=C[C@H](c2ccccc2)[C@@H]2CCCC[C@]23OCCN13 ZINC000004769674 181149977 /nfs/dbraw/zinc/14/99/77/181149977.db2.gz PKMKJGOXZVPWQD-LQWHRVPQSA-N 0 3 311.469 4.933 50 0 DJAAHN CC(C)(c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000004845493 181162571 /nfs/dbraw/zinc/16/25/71/181162571.db2.gz GJJSFVQCLXTWJL-UHFFFAOYSA-N 0 3 323.480 4.877 50 0 DJAAHN Cc1ccc(C(C)(C)C)c(OCCN(C)Cc2ccccc2)c1 ZINC000004913016 181172210 /nfs/dbraw/zinc/17/22/10/181172210.db2.gz AMWINQXEAZEFQX-UHFFFAOYSA-N 0 3 311.469 4.803 50 0 DJAAHN CN1CCC(=C2c3ccccc3CSc3ccccc32)CC1 ZINC000005343183 181231658 /nfs/dbraw/zinc/23/16/58/181231658.db2.gz MBGXTYVKSKOCFX-UHFFFAOYSA-N 0 3 307.462 4.820 50 0 DJAAHN CC(C)c1cccc(OCCN2CCCC[C@H]2c2cccnc2)c1 ZINC000006624345 181362137 /nfs/dbraw/zinc/36/21/37/181362137.db2.gz LGWMZWJFYITHPM-NRFANRHFSA-N 0 3 324.468 4.811 50 0 biogenic DJAAHN CCCOc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837254 182020555 /nfs/dbraw/zinc/02/05/55/182020555.db2.gz GNQLQBOVZSTJCE-FQEVSTJZSA-N 0 3 313.416 4.952 50 0 DJAAHN CSc1ccccc1CN1CCC(Cc2ccccc2)CC1 ZINC000022324310 182317924 /nfs/dbraw/zinc/31/79/24/182317924.db2.gz VIBMYXWYTBGCBI-UHFFFAOYSA-N 0 3 311.494 4.863 50 0 DJAAHN c1csc(CNCc2ccc(OCc3cccs3)cc2)c1 ZINC000016430648 257268629 /nfs/dbraw/zinc/26/86/29/257268629.db2.gz REIKWQGZPOKTKQ-UHFFFAOYSA-N 0 3 315.463 4.678 50 0 DJAAHN CC(C)c1nnc(CN2CCCCC[C@H]2C2CCCCC2)o1 ZINC000225397158 563753977 /nfs/dbraw/zinc/75/39/77/563753977.db2.gz ANZXYRNBUNRXDJ-INIZCTEOSA-N 0 3 305.466 4.518 50 0 DJAAHN Fc1ccccc1CNCC[C@@H](c1ccco1)c1ccccc1 ZINC000002302170 563302057 /nfs/dbraw/zinc/30/20/57/563302057.db2.gz GCPJYWWKHIXFJY-GOSISDBHSA-N 0 3 309.384 4.731 50 0 DJAAHN Cc1cc(C)cc(C(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000002514515 563305152 /nfs/dbraw/zinc/30/51/52/563305152.db2.gz YWTVRIOOHYBSIV-UHFFFAOYSA-N 0 3 307.437 4.520 50 0 DJAAHN Cc1ccc(C(=O)c2ccc(CN3CCCCC3)cc2)cc1C ZINC000002514514 563305343 /nfs/dbraw/zinc/30/53/43/563305343.db2.gz JWMNVYGUOZMEOU-UHFFFAOYSA-N 0 3 307.437 4.520 50 0 DJAAHN Cc1ccccc1NC(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000006742331 563333914 /nfs/dbraw/zinc/33/39/14/563333914.db2.gz DZWQUAOGTKZTAV-UHFFFAOYSA-N 0 3 323.440 4.625 50 0 DJAAHN CCCCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007261666 563337239 /nfs/dbraw/zinc/33/72/39/563337239.db2.gz YFXQRFNOWFQZDS-UHFFFAOYSA-N 0 3 321.823 4.948 50 0 DJAAHN Cc1c([C@@H](C)NC2CCC2)cnn1-c1cccc2ccccc21 ZINC000011839994 563359938 /nfs/dbraw/zinc/35/99/38/563359938.db2.gz CRUPBKALIYIQGW-CQSZACIVSA-N 0 3 305.425 4.537 50 0 DJAAHN CC(C)(C)[C@H](NCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000048311834 563695706 /nfs/dbraw/zinc/69/57/06/563695706.db2.gz CBJLHJLPFZGZCK-HXUWFJFHSA-N 0 3 319.452 4.749 50 0 DJAAHN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827087 563877999 /nfs/dbraw/zinc/87/79/99/563877999.db2.gz PZMKRRTWCFWTMK-GDBMZVCRSA-N 0 3 324.399 4.908 50 0 DJAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(C)O ZINC000245231340 563881407 /nfs/dbraw/zinc/88/14/07/563881407.db2.gz BRKDPSAOJQTDPB-CGXNFDGLSA-N 0 3 309.453 4.630 50 0 DJAAHN CC(C)Oc1ccc([C@H](CCNCc2ccco2)C(C)C)cc1 ZINC000001815153 563882384 /nfs/dbraw/zinc/88/23/84/563882384.db2.gz SLHXSFWUWOTWKC-HXUWFJFHSA-N 0 3 315.457 4.986 50 0 biogenic DJAAHN COc1ccc([C@H](C)N[C@H]2COc3ccccc32)c2ccccc12 ZINC000089517231 563889288 /nfs/dbraw/zinc/88/92/88/563889288.db2.gz IZWASBMZWDKRCL-LIRRHRJNSA-N 0 3 319.404 4.633 50 0 DJAAHN c1ccc2c(c1)Sc1ccccc1N2C[C@H]1CN2CCC1CC2 ZINC000002011568 563896236 /nfs/dbraw/zinc/89/62/36/563896236.db2.gz HOKDBMAJZXIPGC-MRXNPFEDSA-N 0 3 322.477 4.631 50 0 world DJAAHN COc1ccccc1-c1ccc([C@@H](C)NCc2ccncc2)cc1 ZINC000253417967 563925146 /nfs/dbraw/zinc/92/51/46/563925146.db2.gz PHRRRUAZRNFURR-MRXNPFEDSA-N 0 3 318.420 4.608 50 0 DJAAHN Fc1ccc(CNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000013362507 563929541 /nfs/dbraw/zinc/92/95/41/563929541.db2.gz KJECOIPTGOVVSL-UHFFFAOYSA-N 0 3 306.384 4.865 50 0 DJAAHN CC[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(Cl)s1 ZINC000095967731 563933251 /nfs/dbraw/zinc/93/32/51/563933251.db2.gz RUEBLISWSAAMQH-STQMWFEESA-N 0 3 307.846 4.835 50 0 DJAAHN CC[C@@](C)(NCc1cnc(-c2cccnc2)s1)c1ccccc1 ZINC000096456794 563937287 /nfs/dbraw/zinc/93/72/87/563937287.db2.gz PCIKNKBKUYQLJM-LJQANCHMSA-N 0 3 323.465 4.620 50 0 DJAAHN CCN(Cc1ccccc1)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008717594 563950266 /nfs/dbraw/zinc/95/02/66/563950266.db2.gz GOKZCNBDUUJRFX-UHFFFAOYSA-N 0 3 320.436 4.579 50 0 DJAAHN C=Cc1ccc(Oc2ccc(CN3CCCC3)cc2OC)cc1 ZINC000067966024 563950744 /nfs/dbraw/zinc/95/07/44/563950744.db2.gz OGXMRFIPWOWDSQ-UHFFFAOYSA-N 0 3 309.409 4.726 50 0 DJAAHN CC[C@H](N[C@@H](C)c1ccc(SC)c(OC)c1)c1ccncc1 ZINC000097017081 185397501 /nfs/dbraw/zinc/39/75/01/185397501.db2.gz PFEMNITWXBJBMZ-BBRMVZONSA-N 0 3 316.470 4.614 50 0 DJAAHN CC[C@@H](N[C@@H](C)c1ccc(SC)c(OC)c1)c1ccncc1 ZINC000097017084 185397673 /nfs/dbraw/zinc/39/76/73/185397673.db2.gz PFEMNITWXBJBMZ-XJKSGUPXSA-N 0 3 316.470 4.614 50 0 DJAAHN CCOc1ccc2nc(C)cc(Nc3ccc(OC)cc3)c2c1 ZINC000000071857 180684029 /nfs/dbraw/zinc/68/40/29/180684029.db2.gz FACRZUIAGVXBJV-UHFFFAOYSA-N 0 3 308.381 4.694 50 0 DJAAHN Cc1cc2oc(=O)cc(CN3CCCC[C@H]3C)c2cc1C(C)C ZINC000003348964 181009694 /nfs/dbraw/zinc/00/96/94/181009694.db2.gz QNCWBBRDUXIFFV-OAHLLOKOSA-N 0 3 313.441 4.599 50 0 DJAAHN c1ccc([C@@H]2C3=C(CCCC3)N3CCO[C@@]34CCCC[C@@H]24)cc1 ZINC000004027513 181064456 /nfs/dbraw/zinc/06/44/56/181064456.db2.gz BERGZMFIKZYZDE-CEWLAPEOSA-N 0 3 309.453 4.831 50 0 biogenic DJAAHN Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccccc1 ZINC000004350538 181101340 /nfs/dbraw/zinc/10/13/40/181101340.db2.gz KKJXCUTZQUGEGJ-GOSISDBHSA-N 0 3 310.828 4.989 50 0 DJAAHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OC ZINC000004657521 181132528 /nfs/dbraw/zinc/13/25/28/181132528.db2.gz MTSPKWLXDYHBFP-ZDUSSCGKSA-N 0 3 319.832 4.598 50 0 DJAAHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCC(C)C ZINC000005064854 181200038 /nfs/dbraw/zinc/20/00/38/181200038.db2.gz VTMIFXCWXIUZKM-INIZCTEOSA-N 0 3 313.441 4.581 50 0 DJAAHN Cc1cc2oc(=O)cc(CN3CCCCCCC3)c2cc1Cl ZINC000006628055 181363028 /nfs/dbraw/zinc/36/30/28/181363028.db2.gz VBFRPHKJUGIKTR-UHFFFAOYSA-N 0 3 319.832 4.521 50 0 DJAAHN CC(C)[C@@H](CCNCc1ccccn1)c1ccc(Cl)cc1 ZINC000006672477 181368605 /nfs/dbraw/zinc/36/86/05/181368605.db2.gz WIUJOZTZDSBSCB-GOSISDBHSA-N 0 3 302.849 4.655 50 0 DJAAHN Fc1ccc(CNCc2cccc(OCc3ccccc3)c2)cc1 ZINC000016480721 182046374 /nfs/dbraw/zinc/04/63/74/182046374.db2.gz IWUZIJNTVYFYCZ-UHFFFAOYSA-N 0 3 321.395 4.695 50 0 DJAAHN Cc1oc(-c2ccco2)nc1CN1CCC[C@H](c2ccccc2)C1 ZINC000020785735 182247433 /nfs/dbraw/zinc/24/74/33/182247433.db2.gz LCRJKRFTMQMGBS-KRWDZBQOSA-N 0 3 322.408 4.623 50 0 DJAAHN Cc1cccc(C(C)C)c1NC(=O)CN(C)C1CCC(C)CC1 ZINC000039978296 183026904 /nfs/dbraw/zinc/02/69/04/183026904.db2.gz GIRSGUUKUKILOR-UHFFFAOYSA-N 0 3 316.489 4.567 50 0 DJAAHN COc1ccc(CN(C)C2c3ccccc3-c3ccccc32)cc1 ZINC000058163345 184083048 /nfs/dbraw/zinc/08/30/48/184083048.db2.gz XTWWYLPZORXWTF-UHFFFAOYSA-N 0 3 315.416 4.897 50 0 DJAAHN COc1cccc2cc(CNCc3csc4ccccc34)oc21 ZINC000061047917 184160623 /nfs/dbraw/zinc/16/06/23/184160623.db2.gz HUHTXAHHJCUZGF-UHFFFAOYSA-N 0 3 323.417 4.946 50 0 DJAAHN C[C@H](c1cccc(-c2coc3ccccc3c2=O)c1)N1CCCC1 ZINC000065385064 184333296 /nfs/dbraw/zinc/33/32/96/184333296.db2.gz VPTJEVZZIWNQCR-OAHLLOKOSA-N 0 3 319.404 4.617 50 0 DJAAHN CCCC1CCC(c2ccc(C(=O)CCN(C)C)cc2)CC1 ZINC000001263273 331465789 /nfs/dbraw/zinc/46/57/89/331465789.db2.gz USKXLCJIKBRJHF-UHFFFAOYSA-N 0 3 301.474 4.895 50 0 DJAAHN C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc(Cl)s1 ZINC000095968365 563933161 /nfs/dbraw/zinc/93/31/61/563933161.db2.gz FVEZKNAYLZWNMC-TZMCWYRMSA-N 0 3 309.862 4.566 50 0 DJAAHN CN(C)Cc1ccccc1Sc1ccc(Br)cc1 ZINC000000346499 563242417 /nfs/dbraw/zinc/24/24/17/563242417.db2.gz WFNHVKLFNZTOQI-UHFFFAOYSA-N 0 3 322.271 4.662 50 0 DJAAHN Cc1ccc(C(C)C)c(OCCCN2CCc3ccccc3C2)c1 ZINC000002839770 563314358 /nfs/dbraw/zinc/31/43/58/563314358.db2.gz RCPSBCNJFQYDLM-UHFFFAOYSA-N 0 3 323.480 4.946 50 0 DJAAHN CC1=C(CCN2CCN(c3ccccc3)CC2)C(C)(C)CCC1 ZINC000004980213 563328251 /nfs/dbraw/zinc/32/82/51/563328251.db2.gz JGABPTPSCQTIIC-UHFFFAOYSA-N 0 3 312.501 4.725 50 0 DJAAHN Cc1ccc(CNCc2cccc(OCC(F)(F)F)c2)c(C)c1 ZINC000097465651 563350701 /nfs/dbraw/zinc/35/07/01/563350701.db2.gz FDGSRORLZSVTOQ-UHFFFAOYSA-N 0 3 323.358 4.534 50 0 DJAAHN CC(C)NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000010436029 563357063 /nfs/dbraw/zinc/35/70/63/563357063.db2.gz LAZIVNQBCRKMEM-UHFFFAOYSA-N 0 3 307.796 4.556 50 0 DJAAHN Cc1oc(-c2cccc(C)c2)nc1CN(C)C(C1CC1)C1CC1 ZINC000012001959 563360887 /nfs/dbraw/zinc/36/08/87/563360887.db2.gz NUPZIZLEOOWBQH-UHFFFAOYSA-N 0 3 310.441 4.579 50 0 DJAAHN CCC(C)(C)c1ccc(C[C@@H](C)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013512582 563382869 /nfs/dbraw/zinc/38/28/69/563382869.db2.gz MQHLMHIZUIDKOO-KURKYZTESA-N 0 3 317.517 4.662 50 0 world DJAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(C)O ZINC000252426822 563452058 /nfs/dbraw/zinc/45/20/58/563452058.db2.gz MLVGPNYZXZFREZ-ODQRPKBASA-N 0 3 323.480 4.876 50 0 DJAAHN Cc1cccc(SC2CCN(CCC(F)(F)F)CC2)c1 ZINC000067654703 563488742 /nfs/dbraw/zinc/48/87/42/563488742.db2.gz MLCMQUBZRPPEGO-UHFFFAOYSA-N 0 3 303.393 4.504 50 0 DJAAHN CCOc1ccc2nc(C)cc(Nc3cccc(OC)c3)c2c1 ZINC000000071854 563522656 /nfs/dbraw/zinc/52/26/56/563522656.db2.gz FZJAUHAAGDLTTF-UHFFFAOYSA-N 0 3 308.381 4.694 50 0 DJAAHN C[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)[C@H]2CCCC[C@@H]12 ZINC000247856823 563572479 /nfs/dbraw/zinc/57/24/79/563572479.db2.gz XWEBGPXGDINQEI-NJAFHUGGSA-N 0 3 310.441 4.742 50 0 DJAAHN CCCCCN(CCCCC)CC(=O)Nc1ccccc1C ZINC000033639687 563595524 /nfs/dbraw/zinc/59/55/24/563595524.db2.gz NRPJKPHXEKIUCU-UHFFFAOYSA-N 0 3 304.478 4.616 50 0 DJAAHN c1csc(-c2nc(CN3CCC[C@H]3C3CCCCC3)co2)c1 ZINC000048324835 563696286 /nfs/dbraw/zinc/69/62/86/563696286.db2.gz GIULYZIRLQKQDX-INIZCTEOSA-N 0 3 316.470 4.948 50 0 DJAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(C)O ZINC000013424384 563769175 /nfs/dbraw/zinc/76/91/75/563769175.db2.gz BRKDPSAOJQTDPB-MXEMCNAFSA-N 0 3 309.453 4.630 50 0 DJAAHN COc1ccc2cc(CNCc3ccc4c(c3)CCC4)ccc2c1 ZINC000083970345 563819861 /nfs/dbraw/zinc/81/98/61/563819861.db2.gz OTIZAAYRBMKTBR-UHFFFAOYSA-N 0 3 317.432 4.627 50 0 DJAAHN COc1ccc([C@H](C)N[C@@H]2COc3ccccc32)c2ccccc12 ZINC000089517229 563889259 /nfs/dbraw/zinc/88/92/59/563889259.db2.gz IZWASBMZWDKRCL-IFXJQAMLSA-N 0 3 319.404 4.633 50 0 DJAAHN CC(C)c1ccc(CN[C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000089893402 563911971 /nfs/dbraw/zinc/91/19/71/563911971.db2.gz NKLNGKZLTXWUKK-KRWDZBQOSA-N 0 3 319.452 4.847 50 0 DJAAHN CCOCc1ccccc1CN[C@H]1CC(C)(C)Cc2occc21 ZINC000095967205 563932839 /nfs/dbraw/zinc/93/28/39/563932839.db2.gz OKEXFKJKJNQTLP-SFHVURJKSA-N 0 3 313.441 4.619 50 0 DJAAHN CCN(CC)C[C@H](Oc1ccccc1)c1ccccc1Cl ZINC000096026728 563935095 /nfs/dbraw/zinc/93/50/95/563935095.db2.gz ODNVJNRDIYJILI-SFHVURJKSA-N 0 3 303.833 4.802 50 0 DJAAHN c1csc(-c2cc(CN3CCC[C@@H]4CCCC[C@@H]43)no2)c1 ZINC000057590571 563941937 /nfs/dbraw/zinc/94/19/37/563941937.db2.gz ZCRCKCFAYICQFN-ZFWWWQNUSA-N 0 3 302.443 4.558 50 0 DJAAHN CC(=NN(c1ccccc1)c1ccccc1)c1ccc(N)cc1 ZINC000004015740 563944994 /nfs/dbraw/zinc/94/49/94/563944994.db2.gz ZRESMWATKVYNQA-UHFFFAOYSA-N 0 3 301.393 4.831 50 0 DJAAHN C[C@](CCNCc1ccco1)(Cc1ccccc1)c1ccco1 ZINC000032073467 563945091 /nfs/dbraw/zinc/94/50/91/563945091.db2.gz HYPOVYQFXGFAFP-FQEVSTJZSA-N 0 3 309.409 4.553 50 0 DJAAHN Cc1ccccc1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000008201802 563947101 /nfs/dbraw/zinc/94/71/01/563947101.db2.gz UPNSSFZSOXKLJL-UHFFFAOYSA-N 0 3 322.477 4.984 50 0 DJAAHN CC(C)[C@H](NCc1cccc2[nH]ccc21)c1nc2ccccc2[nH]1 ZINC000088670121 185262086 /nfs/dbraw/zinc/26/20/86/185262086.db2.gz NIOIQORMDKSZEG-IBGZPJMESA-N 0 3 318.424 4.531 50 0 DJAAHN C[C@@H](NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1 ZINC000096997333 185395611 /nfs/dbraw/zinc/39/56/11/185395611.db2.gz POCWNSWMMDBTTN-SNVBAGLBSA-N 0 3 320.223 4.721 50 0 DJAAHN C[C@@H](c1ccccn1)N(C)Cc1cccc(-c2ccccc2)c1 ZINC000095468626 185372269 /nfs/dbraw/zinc/37/22/69/185372269.db2.gz ZIBBOYCVETUNMH-KRWDZBQOSA-N 0 3 302.421 4.942 50 0 DJAAHN Cc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccccc2)cc1C ZINC000004678987 181136274 /nfs/dbraw/zinc/13/62/74/181136274.db2.gz GLIDFNMHSYUYMZ-MRXNPFEDSA-N 0 3 305.425 4.544 50 0 DJAAHN c1ccc(CN2CCC(Nc3cccc4ccccc43)CC2)cc1 ZINC000005338331 181231823 /nfs/dbraw/zinc/23/18/23/181231823.db2.gz RZCBBFNTQSTYJK-UHFFFAOYSA-N 0 3 316.448 4.916 50 0 DJAAHN Cc1cc(C)c(C)c(OCCCCCCNCc2ccco2)c1 ZINC000012860983 181804357 /nfs/dbraw/zinc/80/43/57/181804357.db2.gz BUEXFYIWKNAMGA-UHFFFAOYSA-N 0 3 315.457 4.934 50 0 DJAAHN CCCOc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837445 182020468 /nfs/dbraw/zinc/02/04/68/182020468.db2.gz YYXXAZGHOKZGPJ-FQEVSTJZSA-N 0 3 313.416 4.952 50 0 DJAAHN C[C@H](N[C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000020148240 182192423 /nfs/dbraw/zinc/19/24/23/182192423.db2.gz JCBUUUZWBBBREJ-QWRGUYRKSA-N 0 3 310.260 4.922 50 0 DJAAHN C[C@@H](N[C@@H](C)c1cccs1)c1cccc(Br)c1 ZINC000020148239 182192450 /nfs/dbraw/zinc/19/24/50/182192450.db2.gz JCBUUUZWBBBREJ-MNOVXSKESA-N 0 3 310.260 4.922 50 0 DJAAHN C[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)[C@@H]2CCCC[C@@H]12 ZINC000032928788 182682092 /nfs/dbraw/zinc/68/20/92/182682092.db2.gz XWEBGPXGDINQEI-BPQIPLTHSA-N 0 3 310.441 4.742 50 0 DJAAHN Cc1ccc(CN[C@H](C)c2ccc(Br)cc2)s1 ZINC000042210088 183242959 /nfs/dbraw/zinc/24/29/59/183242959.db2.gz QTYPLYWUFDHEIU-LLVKDONJSA-N 0 3 310.260 4.670 50 0 DJAAHN c1cc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)cs1 ZINC000060970859 184159108 /nfs/dbraw/zinc/15/91/08/184159108.db2.gz YJRYECCSFUJLFV-UHFFFAOYSA-N 0 3 321.445 4.640 50 0 DJAAHN Cc1cccc2c(-c3ccc(CN4CCCCC4)cn3)c[nH]c21 ZINC000426495578 257248536 /nfs/dbraw/zinc/24/85/36/257248536.db2.gz HRVGMQCDQXNVTF-UHFFFAOYSA-N 0 3 305.425 4.524 50 0 DJAAHN CC(=O)c1ccc(F)cc1-c1cccc([C@@H](C)N2CCCC2)c1 ZINC000534577276 334288027 /nfs/dbraw/zinc/28/80/27/334288027.db2.gz VWYWXJDMWLHWGI-CQSZACIVSA-N 0 3 311.400 4.852 50 0 DJAAHN CC(C)(C)C1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC000000221611 563231490 /nfs/dbraw/zinc/23/14/90/563231490.db2.gz HUGUUVAWHRXBOF-UHFFFAOYSA-N 0 3 318.480 4.553 50 0 DJAAHN CCN(CC)P(OCc1ccccc1)OCc1ccccc1 ZINC000000388494 563249250 /nfs/dbraw/zinc/24/92/50/563249250.db2.gz NLGUJOVLAXLSMX-UHFFFAOYSA-N 0 3 317.369 4.989 50 0 in-vitro DJAAHN CCOc1c(Cl)cc(CN[C@H](C)c2ccccc2)cc1OC ZINC000002886271 563316880 /nfs/dbraw/zinc/31/68/80/563316880.db2.gz AMLYGHXFUWIYIV-CYBMUJFWSA-N 0 3 319.832 4.598 50 0 DJAAHN Cc1c([C@H](C)NC2CCC2)cnn1-c1cccc2ccccc21 ZINC000011839995 563359993 /nfs/dbraw/zinc/35/99/93/563359993.db2.gz CRUPBKALIYIQGW-AWEZNQCLSA-N 0 3 305.425 4.537 50 0 DJAAHN CC(C)=CCN1CCC[C@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000011911055 563360194 /nfs/dbraw/zinc/36/01/94/563360194.db2.gz LCFLVTVNBZEGJL-SFHVURJKSA-N 0 3 309.457 4.531 50 0 DJAAHN Cc1oc(-c2ccoc2)nc1CN1CCC[C@H](c2ccccc2)C1 ZINC000012386291 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/nfs/dbraw/zinc/95/03/64/563950364.db2.gz QOAFCHTUSNQKHL-MJGOQNOKSA-N 0 3 324.468 4.617 50 0 DJAAHN COc1ccccc1[C@@H](CCNCc1ccco1)c1ccccc1 ZINC000009575753 563956956 /nfs/dbraw/zinc/95/69/56/563956956.db2.gz QIXFVPBWAOJSCK-IBGZPJMESA-N 0 3 321.420 4.600 50 0 DJAAHN COc1ccc([C@H](C)N[C@@H](C)c2ccncc2)c2ccccc12 ZINC000095419205 185359821 /nfs/dbraw/zinc/35/98/21/185359821.db2.gz NGJYDIVEKYFKEB-GJZGRUSLSA-N 0 3 306.409 4.655 50 0 DJAAHN C[C@H](NCc1ccc(OCc2ccccn2)cc1)c1ccsc1 ZINC000095420540 185360108 /nfs/dbraw/zinc/36/01/08/185360108.db2.gz JHASWZPELPRGKM-HNNXBMFYSA-N 0 3 324.449 4.573 50 0 DJAAHN CC(C)(C)[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000048311836 190676950 /nfs/dbraw/zinc/67/69/50/190676950.db2.gz CBJLHJLPFZGZCK-FQEVSTJZSA-N 0 3 319.452 4.749 50 0 DJAAHN C[C@@H](c1ccccc1[C@](O)(c1ccccc1)C(C)(C)C)N(C)C ZINC000072437755 191166432 /nfs/dbraw/zinc/16/64/32/191166432.db2.gz JUYUTBYMCJGZKF-HRAATJIYSA-N 0 3 311.469 4.591 50 0 DJAAHN C([C@H]1COC2(CCCCCCCCCCC2)O1)N1CCCCC1 ZINC000004184278 181082393 /nfs/dbraw/zinc/08/23/93/181082393.db2.gz OIIPIUYWDFRYAK-IBGZPJMESA-N 0 3 323.521 4.889 50 0 DJAAHN C[C@H](C[C@@H]1NCc2ccccc2-n2cccc21)c1ccccc1 ZINC000004188346 181083085 /nfs/dbraw/zinc/08/30/85/181083085.db2.gz VKQLZBAUQXLBJJ-APWZRJJASA-N 0 3 302.421 4.815 50 0 DJAAHN O=C(CCCN1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000004481416 181113033 /nfs/dbraw/zinc/11/30/33/181113033.db2.gz OHPSURDOCWFWPM-UHFFFAOYSA-N 0 3 319.448 4.707 50 0 DJAAHN c1csc(CNCc2ccc(OCc3ccccc3)cc2)c1 ZINC000004657501 181133041 /nfs/dbraw/zinc/13/30/41/181133041.db2.gz NBJSYTGLGDBHFD-UHFFFAOYSA-N 0 3 309.434 4.617 50 0 DJAAHN Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1C ZINC000004990944 181186125 /nfs/dbraw/zinc/18/61/25/181186125.db2.gz VKXMCQPHXSDYHY-UHFFFAOYSA-N 0 3 322.452 4.542 50 0 DJAAHN COC(=O)c1ccc(Nc2cc(C)nc3c(C)cc(C)cc23)cc1 ZINC000006626444 181362510 /nfs/dbraw/zinc/36/25/10/181362510.db2.gz QGNWXNHNLHNWCX-UHFFFAOYSA-N 0 3 320.392 4.690 50 0 DJAAHN c1ccc(SCCCN2CCCC[C@H]2c2cccnc2)cc1 ZINC000006719358 181376766 /nfs/dbraw/zinc/37/67/66/181376766.db2.gz OKQKJELGHSNSRH-IBGZPJMESA-N 0 3 312.482 4.791 50 0 biogenic DJAAHN CC(C)Oc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837436 182020315 /nfs/dbraw/zinc/02/03/15/182020315.db2.gz LSKZYGVCDTZEQI-HXUWFJFHSA-N 0 3 313.416 4.950 50 0 DJAAHN Cc1noc(C)c1[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000015866883 182023039 /nfs/dbraw/zinc/02/30/39/182023039.db2.gz UZTLBZCIFVWDBP-HNNXBMFYSA-N 0 3 324.346 4.647 50 0 DJAAHN Cc1ccc(COc2cccc(CNCc3cccs3)c2)cc1 ZINC000020874452 182250522 /nfs/dbraw/zinc/25/05/22/182250522.db2.gz MXXLYPBDPXEMIX-UHFFFAOYSA-N 0 3 323.461 4.925 50 0 DJAAHN CCc1ccc(NC(=O)CN[C@@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000040161547 183042190 /nfs/dbraw/zinc/04/21/90/183042190.db2.gz YPNPEHZHKIUNDY-INIZCTEOSA-N 0 3 324.468 4.662 50 0 DJAAHN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000058425976 184116450 /nfs/dbraw/zinc/11/64/50/184116450.db2.gz OGSLXICCULIJEA-UHFFFAOYSA-N 0 3 319.836 4.543 50 0 DJAAHN Cc1cccc(C)c1NC(=O)c1cccc(CN2CCC[C@@H]2C)c1 ZINC000065426741 184342459 /nfs/dbraw/zinc/34/24/59/184342459.db2.gz YLSUUCBYRWCNCL-KRWDZBQOSA-N 0 3 322.452 4.540 50 0 DJAAHN Cc1ccc2nc3c(c(Nc4ccc(N(C)C)cc4)c2c1)CCC3 ZINC000000142591 563223472 /nfs/dbraw/zinc/22/34/72/563223472.db2.gz VHGHXEAJCBQQRT-UHFFFAOYSA-N 0 3 317.436 4.842 50 0 DJAAHN CN(C)CCS[C@H]1c2ccccc2CSc2ccccc21 ZINC000000347536 563242441 /nfs/dbraw/zinc/24/24/41/563242441.db2.gz URTZTFXEBYPGOC-SFHVURJKSA-N 0 3 315.507 4.677 50 0 DJAAHN Cc1ccc(C)c(N2CCN(CC[C@H](C)c3ccccc3)CC2)c1 ZINC000004980690 563328401 /nfs/dbraw/zinc/32/84/01/563328401.db2.gz YDFSQAALRMLOLL-IBGZPJMESA-N 0 3 322.496 4.619 50 0 DJAAHN Cc1ccc2[nH]c(-c3ccccc3)c(CN3CCCC3)c(=O)c2c1 ZINC000008700921 563349400 /nfs/dbraw/zinc/34/94/00/563349400.db2.gz CCYTVURPPVMWHN-UHFFFAOYSA-N 0 3 318.420 4.512 50 0 DJAAHN Cc1cc(C)cc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000010331067 563355776 /nfs/dbraw/zinc/35/57/76/563355776.db2.gz CPDUCQLJCQPCGB-UHFFFAOYSA-N 0 3 322.452 4.542 50 0 DJAAHN CSc1ccccc1C(=O)[C@@H]1CCCN(C2CCCCC2)C1 ZINC000015071622 563406839 /nfs/dbraw/zinc/40/68/39/563406839.db2.gz FOPYYUHENQDELF-OAHLLOKOSA-N 0 3 317.498 4.636 50 0 DJAAHN Fc1ccc([C@H]2CCCN2Cc2cccc3cccnc32)cc1 ZINC000025445935 563422569 /nfs/dbraw/zinc/42/25/69/563422569.db2.gz JEHNRMRTBJDQCK-LJQANCHMSA-N 0 3 306.384 4.711 50 0 DJAAHN Cc1oc(-c2ccco2)nc1CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000067712553 563489607 /nfs/dbraw/zinc/48/96/07/563489607.db2.gz JLNIMKNTEODDGL-AUUYWEPGSA-N 0 3 314.429 4.644 50 0 DJAAHN C[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)[C@@H]2CCCC[C@H]12 ZINC000247856819 563572888 /nfs/dbraw/zinc/57/28/88/563572888.db2.gz XWEBGPXGDINQEI-KBAYOESNSA-N 0 3 310.441 4.742 50 0 DJAAHN COc1ccc(Nc2cc(C)nc3c(C)cc(C)cc23)c(OC)c1 ZINC000000949075 563784490 /nfs/dbraw/zinc/78/44/90/563784490.db2.gz OBEZZRVBBBJPCT-UHFFFAOYSA-N 0 3 322.408 4.921 50 0 DJAAHN CN(C)CCO[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000001999761 563797567 /nfs/dbraw/zinc/79/75/67/563797567.db2.gz UUANXCCUZYBHAN-NRFANRHFSA-N 0 3 305.421 4.507 50 0 DJAAHN CN(C)[C@H](CCOc1cccc2ccccc21)c1ccccc1 ZINC000001999422 563820613 /nfs/dbraw/zinc/82/06/13/563820613.db2.gz USRHYDPUVLEVMC-HXUWFJFHSA-N 0 3 305.421 4.912 50 0 DJAAHN CC(C)Oc1ccc([C@@H](CCNCc2ccco2)C(C)C)cc1 ZINC000001815154 563882075 /nfs/dbraw/zinc/88/20/75/563882075.db2.gz SLHXSFWUWOTWKC-FQEVSTJZSA-N 0 3 315.457 4.986 50 0 biogenic DJAAHN Cc1ncsc1[C@@H](C)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000089516923 563889344 /nfs/dbraw/zinc/88/93/44/563889344.db2.gz WWIMZWBKGWBTBC-CZUORRHYSA-N 0 3 300.471 4.915 50 0 DJAAHN CC(C)c1ccc(CN[C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000089893403 563911927 /nfs/dbraw/zinc/91/19/27/563911927.db2.gz NKLNGKZLTXWUKK-QGZVFWFLSA-N 0 3 319.452 4.847 50 0 DJAAHN C[C@H](N[C@H](CCCO)c1ccccc1)c1ccc(Cl)s1 ZINC000095968364 563933220 /nfs/dbraw/zinc/93/32/20/563933220.db2.gz FVEZKNAYLZWNMC-GXTWGEPZSA-N 0 3 309.862 4.566 50 0 DJAAHN CCN(CC)C[C@@H](Oc1ccccc1)c1ccccc1Cl ZINC000096026729 563935187 /nfs/dbraw/zinc/93/51/87/563935187.db2.gz ODNVJNRDIYJILI-GOSISDBHSA-N 0 3 303.833 4.802 50 0 DJAAHN CCCCn1nc(C)c(CNC[C@H](C)c2ccccc2)c1Cl ZINC000071839157 563959338 /nfs/dbraw/zinc/95/93/38/563959338.db2.gz DOTNOCQDZXTLCN-AWEZNQCLSA-N 0 3 319.880 4.538 50 0 DJAAHN CC1CCN(CCOc2ccc(Cl)cc2C(C)(C)C)CC1 ZINC000004845301 181162439 /nfs/dbraw/zinc/16/24/39/181162439.db2.gz BJAVSIFLBVSAHQ-UHFFFAOYSA-N 0 3 309.881 4.748 50 0 DJAAHN CSc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004990109 181186045 /nfs/dbraw/zinc/18/60/45/181186045.db2.gz WYSIMRUNQWGLOR-UHFFFAOYSA-N 0 3 311.494 4.863 50 0 DJAAHN C[C@H](CCc1ccc(O)cc1)NCc1ccc(Cl)cc1Cl ZINC000004989533 181186134 /nfs/dbraw/zinc/18/61/34/181186134.db2.gz GKMDSBTTYAUGLM-GFCCVEGCSA-N 0 3 324.251 4.810 50 0 DJAAHN CC[C@H](CNCc1ccccc1Cl)Oc1cccc(C)c1 ZINC000019737609 182141430 /nfs/dbraw/zinc/14/14/30/182141430.db2.gz SAUVEBVPHLEDTL-MRXNPFEDSA-N 0 3 303.833 4.596 50 0 DJAAHN Cc1oc(-c2ccco2)nc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000020785731 182247337 /nfs/dbraw/zinc/24/73/37/182247337.db2.gz LCRJKRFTMQMGBS-QGZVFWFLSA-N 0 3 322.408 4.623 50 0 DJAAHN CCC(CC)[C@@H](NCc1cccc2c1OCO2)c1ccccc1 ZINC000058154676 184081661 /nfs/dbraw/zinc/08/16/61/184081661.db2.gz PAJBMYLEWUMIAC-LJQANCHMSA-N 0 3 311.425 4.682 50 0 DJAAHN Cc1cc(C)c2nc(C)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000000071997 563213434 /nfs/dbraw/zinc/21/34/34/563213434.db2.gz WDLDGAUPVFLXFH-UHFFFAOYSA-N 0 3 305.425 4.970 50 0 DJAAHN COc1ccccc1Nc1c2ccccc2nc2c1CCCC2 ZINC000000348187 563243207 /nfs/dbraw/zinc/24/32/07/563243207.db2.gz RYQOTAJUSJTNMJ-UHFFFAOYSA-N 0 3 304.393 4.866 50 0 DJAAHN CCOc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000001227434 563280022 /nfs/dbraw/zinc/28/00/22/563280022.db2.gz UKGWAZWUXJBYRL-UHFFFAOYSA-N 0 3 309.453 4.540 50 0 DJAAHN Cc1ccc(C(=O)c2ccc(CN3CCCCC3)cc2)c(C)c1 ZINC000002514511 563305457 /nfs/dbraw/zinc/30/54/57/563305457.db2.gz NVIGQQNUFBIALJ-UHFFFAOYSA-N 0 3 307.437 4.520 50 0 DJAAHN Clc1ccc(CSC2=NCCCN2C2CCCCC2)cc1 ZINC000003138698 563322498 /nfs/dbraw/zinc/32/24/98/563322498.db2.gz PEGZLKBCFYRAHK-UHFFFAOYSA-N 0 3 322.905 4.968 50 0 DJAAHN CC[C@H](C)NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000008326700 563345709 /nfs/dbraw/zinc/34/57/09/563345709.db2.gz CMCBSRZFNMOMNG-ZDUSSCGKSA-N 0 3 321.823 4.946 50 0 DJAAHN Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(C)c1 ZINC000010339048 563356089 /nfs/dbraw/zinc/35/60/89/563356089.db2.gz ZDXADSHSYXQPND-UHFFFAOYSA-N 0 3 322.452 4.542 50 0 DJAAHN CCC(C)(C)c1ccc(C[C@H](C)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013512584 563382583 /nfs/dbraw/zinc/38/25/83/563382583.db2.gz MQHLMHIZUIDKOO-OKZBNKHCSA-N 0 3 317.517 4.662 50 0 world DJAAHN CC(C)(C)C1=C[C@H](c2ccccc2)[C@H]2CCCC[C@@]23OCCN13 ZINC000013511887 563382743 /nfs/dbraw/zinc/38/27/43/563382743.db2.gz PKMKJGOXZVPWQD-DBXWQHBBSA-N 0 3 311.469 4.933 50 0 DJAAHN CCC(=O)Nc1ccc([C@H](C)NCc2ccc(Cl)s2)cc1 ZINC000030640261 563437809 /nfs/dbraw/zinc/43/78/09/563437809.db2.gz IAYDPFGVZNIIID-NSHDSACASA-N 0 3 322.861 4.601 50 0 DJAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)[C@]1(C)O ZINC000252426823 563451743 /nfs/dbraw/zinc/45/17/43/563451743.db2.gz MLVGPNYZXZFREZ-PJYFRALDSA-N 0 3 323.480 4.876 50 0 DJAAHN CC[C@H](C)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067821779 563491188 /nfs/dbraw/zinc/49/11/88/563491188.db2.gz JIXJFMCKAURHIU-LBPRGKRZSA-N 0 3 324.346 4.781 50 0 DJAAHN CC[C@@H](C)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067821778 563491501 /nfs/dbraw/zinc/49/15/01/563491501.db2.gz JIXJFMCKAURHIU-GFCCVEGCSA-N 0 3 324.346 4.781 50 0 DJAAHN CC(C)CCN1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000037522425 563597266 /nfs/dbraw/zinc/59/72/66/563597266.db2.gz DVMHKBOPBPAKFH-IBGZPJMESA-N 0 3 316.876 4.983 50 0 DJAAHN c1oc(-c2ccccc2)nc1CN1CCC[C@H]1Cc1ccccc1 ZINC000048333472 563696490 /nfs/dbraw/zinc/69/64/90/563696490.db2.gz RRUCEMRMNHUFEA-FQEVSTJZSA-N 0 3 318.420 4.549 50 0 DJAAHN Fc1ccc(CN2CCC[C@@H]2c2ccsc2)c2ncccc12 ZINC000051853009 563724126 /nfs/dbraw/zinc/72/41/26/563724126.db2.gz OHXIEEBVWSJXIF-QGZVFWFLSA-N 0 3 312.413 4.773 50 0 DJAAHN C[C@@H](c1cc2ccccc2o1)N(C)Cc1cnoc1-c1ccco1 ZINC000089904636 563912261 /nfs/dbraw/zinc/91/22/61/563912261.db2.gz IQYQPQKARUPPNH-ZDUSSCGKSA-N 0 3 322.364 4.874 50 0 DJAAHN Cc1nc2c(s1)[C@H](N(C)Cc1c(C)cccc1C)CCC2 ZINC000170634515 563912838 /nfs/dbraw/zinc/91/28/38/563912838.db2.gz SARXTYXHKPCZJP-QGZVFWFLSA-N 0 3 300.471 4.578 50 0 DJAAHN CC(C)CCN1CCCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000037522426 563918376 /nfs/dbraw/zinc/91/83/76/563918376.db2.gz DVMHKBOPBPAKFH-LJQANCHMSA-N 0 3 316.876 4.983 50 0 DJAAHN CC[C@](C)(NCc1cnc(-c2cccnc2)s1)c1ccccc1 ZINC000096456791 563937149 /nfs/dbraw/zinc/93/71/49/563937149.db2.gz PCIKNKBKUYQLJM-IBGZPJMESA-N 0 3 323.465 4.620 50 0 DJAAHN Fc1ccc(CNCc2cccc(Oc3ccccc3)c2)cc1 ZINC000008157419 563947006 /nfs/dbraw/zinc/94/70/06/563947006.db2.gz MPUMYMLUVBEKAR-UHFFFAOYSA-N 0 3 307.368 4.908 50 0 DJAAHN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000008748710 563950345 /nfs/dbraw/zinc/95/03/45/563950345.db2.gz QOAFCHTUSNQKHL-PKOBYXMFSA-N 0 3 324.468 4.617 50 0 DJAAHN CC(C)(C)c1cc(CN2CCCCC2)cc(C(C)(C)C)c1O ZINC000001227997 568417292 /nfs/dbraw/zinc/41/72/92/568417292.db2.gz KUUXVJOSGMQDOT-UHFFFAOYSA-N 0 3 303.490 4.973 50 0 DJAAHN Cc1cc(CN[C@@H]2CCc3ccccc32)cc(C)c1OC(F)F ZINC000096991691 185395332 /nfs/dbraw/zinc/39/53/32/185395332.db2.gz ZFELVPDDCTXTDF-QGZVFWFLSA-N 0 3 317.379 4.682 50 0 DJAAHN C[C@H](c1ccccc1[C@@](O)(c1ccccc1)C(C)(C)C)N(C)C ZINC000072437754 191165602 /nfs/dbraw/zinc/16/56/02/191165602.db2.gz JUYUTBYMCJGZKF-IERDGZPVSA-N 0 3 311.469 4.591 50 0 DJAAHN COc1ccc([C@H](CCNCc2ccco2)CCC(C)C)cc1 ZINC000005500523 181250547 /nfs/dbraw/zinc/25/05/47/181250547.db2.gz KWYNQLDOWSHLAG-SFHVURJKSA-N 0 3 315.457 4.988 50 0 DJAAHN Cc1cccc(NC(=O)Nc2ccc(CN3CCCCC3)cc2)c1 ZINC000006698617 181372130 /nfs/dbraw/zinc/37/21/30/181372130.db2.gz PQQUOUSFYFBCEE-UHFFFAOYSA-N 0 3 323.440 4.625 50 0 DJAAHN Cc1ccc(C(C)C)c(OCCN2CCc3ccccc3C2)c1 ZINC000020272465 182202342 /nfs/dbraw/zinc/20/23/42/182202342.db2.gz QYSUKZQLGIRKGW-UHFFFAOYSA-N 0 3 309.453 4.556 50 0 DJAAHN CC(C)(C)N[C@H]1C=C(C(C)(C)C)Sc2nc3ccccc3n21 ZINC000022239206 182315328 /nfs/dbraw/zinc/31/53/28/182315328.db2.gz WSMJLIISQBYSAG-OAHLLOKOSA-N 0 3 315.486 4.959 50 0 DJAAHN COc1cccc(CN[C@@H](C)c2cccc3ccccc32)c1OC ZINC000022787582 182334821 /nfs/dbraw/zinc/33/48/21/182334821.db2.gz MCOGFDMCYSLUBQ-HNNXBMFYSA-N 0 3 321.420 4.708 50 0 DJAAHN COc1ccc(CN[C@@H](C)c2cccc3ccccc32)cc1OC ZINC000022787593 182334860 /nfs/dbraw/zinc/33/48/60/182334860.db2.gz MMWSATIVNJFMNB-HNNXBMFYSA-N 0 3 321.420 4.708 50 0 DJAAHN c1ccc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 ZINC000060970868 184159055 /nfs/dbraw/zinc/15/90/55/184159055.db2.gz VMBUJRUYZCVIKU-UHFFFAOYSA-N 0 3 315.416 4.578 50 0 DJAAHN CC(C)[C@@H](NCc1cccc2[nH]ccc21)c1nc2ccccc2[nH]1 ZINC000236740967 519799232 /nfs/dbraw/zinc/79/92/32/519799232.db2.gz NIOIQORMDKSZEG-LJQANCHMSA-N 0 3 318.424 4.531 50 0 DJAAHN COc1ccccc1CN1CCCCC[C@H]1c1cccs1 ZINC000033087309 563444079 /nfs/dbraw/zinc/44/40/79/563444079.db2.gz NTBJTMCAIJOTQL-INIZCTEOSA-N 0 3 301.455 4.874 50 0 DJAAHN Cc1ccc(CSC2=NCCCN2C2CCCCC2)cc1 ZINC000000144911 563224008 /nfs/dbraw/zinc/22/40/08/563224008.db2.gz FEKKHBNEKQVNMN-UHFFFAOYSA-N 0 3 302.487 4.623 50 0 DJAAHN CN(C)Cc1ccccc1Sc1ccccc1Br ZINC000000346501 563242804 /nfs/dbraw/zinc/24/28/04/563242804.db2.gz IPHZDYNMAHVCMZ-UHFFFAOYSA-N 0 3 322.271 4.662 50 0 DJAAHN Cc1cccc(C(=O)c2ccc(CN3CCCCC3)cc2)c1C ZINC000002514510 563305259 /nfs/dbraw/zinc/30/52/59/563305259.db2.gz UNWXHRFUFVLJRH-UHFFFAOYSA-N 0 3 307.437 4.520 50 0 DJAAHN CCOc1c(Cl)cc(CN[C@@H](C)c2ccccc2)cc1OC ZINC000002886270 563316715 /nfs/dbraw/zinc/31/67/15/563316715.db2.gz AMLYGHXFUWIYIV-ZDUSSCGKSA-N 0 3 319.832 4.598 50 0 DJAAHN CCCCc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1 ZINC000008717945 563349950 /nfs/dbraw/zinc/34/99/50/563349950.db2.gz ASUSWFQLUXRXMQ-UHFFFAOYSA-N 0 3 312.457 4.577 50 0 DJAAHN Cc1oc(-c2ccoc2)nc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000012386290 563368202 /nfs/dbraw/zinc/36/82/02/563368202.db2.gz PNGNJLSQFLUYTC-QGZVFWFLSA-N 0 3 322.408 4.623 50 0 DJAAHN COc1cc(CN2CCCCC[C@H]2c2cccs2)ccc1O ZINC000033087323 563444006 /nfs/dbraw/zinc/44/40/06/563444006.db2.gz DPBWVAUYVIKIDR-HNNXBMFYSA-N 0 3 317.454 4.580 50 0 DJAAHN CC(C)=CCC[C@H](C)CCN1CCN(c2ccccc2F)CC1 ZINC000002479766 563448827 /nfs/dbraw/zinc/44/88/27/563448827.db2.gz BKEKIKXOSGPRMA-SFHVURJKSA-N 0 3 318.480 4.720 50 0 DJAAHN Cc1cc(CN2CCCC2)cc(Oc2nccc3occc32)c1 ZINC000067872049 563492080 /nfs/dbraw/zinc/49/20/80/563492080.db2.gz HIOYQQUIPKKQLY-UHFFFAOYSA-N 0 3 308.381 4.524 50 0 DJAAHN CC[C@H](NCc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 ZINC000030655897 563763492 /nfs/dbraw/zinc/76/34/92/563763492.db2.gz NAESSBRKPRNZKC-SFHVURJKSA-N 0 3 316.832 4.539 50 0 DJAAHN CCOc1ccc2nc(C)cc(Nc3cccc(C(C)=O)c3)c2c1 ZINC000000949044 563784240 /nfs/dbraw/zinc/78/42/40/563784240.db2.gz DLEQIWNNJCWESH-UHFFFAOYSA-N 0 3 320.392 4.888 50 0 DJAAHN Cc1ncsc1[C@@H](C)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000089516925 563889402 /nfs/dbraw/zinc/88/94/02/563889402.db2.gz WWIMZWBKGWBTBC-CJNGLKHVSA-N 0 3 300.471 4.915 50 0 DJAAHN COc1ccc([C@@H](C)N[C@@H]2COc3ccccc32)c2ccccc12 ZINC000089517230 563889581 /nfs/dbraw/zinc/88/95/81/563889581.db2.gz IZWASBMZWDKRCL-AUUYWEPGSA-N 0 3 319.404 4.633 50 0 DJAAHN CC(C)(C)c1cc(Cl)ccc1OCCNCc1ccccc1 ZINC000002825356 563913077 /nfs/dbraw/zinc/91/30/77/563913077.db2.gz KIUDOYAROXGOJV-UHFFFAOYSA-N 0 3 317.860 4.806 50 0 DJAAHN c1ccc([C@H]2C3=C(CCCC3)N3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000002095014 563913850 /nfs/dbraw/zinc/91/38/50/563913850.db2.gz BERGZMFIKZYZDE-HLAWJBBLSA-N 0 3 309.453 4.831 50 0 biogenic DJAAHN CNCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000033995966 563915776 /nfs/dbraw/zinc/91/57/76/563915776.db2.gz FQEBOQLYHASAOY-UHFFFAOYSA-N 0 3 300.160 4.644 50 0 DJAAHN CCCCN1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000037522429 563918302 /nfs/dbraw/zinc/91/83/02/563918302.db2.gz GAZIFEWQSPHNHA-SFHVURJKSA-N 0 3 302.849 4.737 50 0 DJAAHN Cc1cc([C@@H](C)N[C@H](CCCO)c2ccccc2)c(C)s1 ZINC000095423050 563931452 /nfs/dbraw/zinc/93/14/52/563931452.db2.gz YECHCDNQWMDJJP-RDTXWAMCSA-N 0 3 303.471 4.529 50 0 DJAAHN CCOCc1ccccc1CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000095967204 563932965 /nfs/dbraw/zinc/93/29/65/563932965.db2.gz OKEXFKJKJNQTLP-GOSISDBHSA-N 0 3 313.441 4.619 50 0 DJAAHN C[C@@H](N[C@H](CCCO)c1ccccc1)c1cc2ccccc2o1 ZINC000095968369 563933126 /nfs/dbraw/zinc/93/31/26/563933126.db2.gz KZJVIKMLZDLTAL-CRAIPNDOSA-N 0 3 309.409 4.597 50 0 DJAAHN C[C@H](N[C@H](CCCO)c1ccccc1)c1cc2ccccc2o1 ZINC000095968368 563933290 /nfs/dbraw/zinc/93/32/90/563933290.db2.gz KZJVIKMLZDLTAL-MAUKXSAKSA-N 0 3 309.409 4.597 50 0 DJAAHN CN(C)CCS[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000096026380 563935058 /nfs/dbraw/zinc/93/50/58/563935058.db2.gz BLZIUBBMTFKITD-QGZVFWFLSA-N 0 3 305.874 4.724 50 0 DJAAHN Cc1cccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1C ZINC000031621064 563944631 /nfs/dbraw/zinc/94/46/31/563944631.db2.gz BXIJZBKSNNLMLY-UHFFFAOYSA-N 0 3 322.452 4.542 50 0 DJAAHN FC(F)(F)c1cccc([C@H](NCc2ccccc2)C2CC2)c1 ZINC000095455546 185370193 /nfs/dbraw/zinc/37/01/93/185370193.db2.gz ZETCAZPARRWQFE-QGZVFWFLSA-N 0 3 305.343 4.946 50 0 DJAAHN Fc1ccc(-c2ccc(CN[C@H]3CCc4ccccc43)o2)cc1 ZINC000072288042 191107154 /nfs/dbraw/zinc/10/71/54/191107154.db2.gz ANTLLUMOUAXQHR-IBGZPJMESA-N 0 3 307.368 4.863 50 0 DJAAHN C[C@@H](c1ccccc1[C@@](O)(c1ccccc1)C(C)(C)C)N(C)C ZINC000072437753 191165567 /nfs/dbraw/zinc/16/55/67/191165567.db2.gz JUYUTBYMCJGZKF-KKSFZXQISA-N 0 3 311.469 4.591 50 0 DJAAHN CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000003417748 181016929 /nfs/dbraw/zinc/01/69/29/181016929.db2.gz XGMXBPVTZFGGRJ-UHFFFAOYSA-N 0 3 322.452 4.557 50 0 DJAAHN C[C@H](C[C@H]1NCc2ccccc2-n2cccc21)c1ccccc1 ZINC000004188339 181083374 /nfs/dbraw/zinc/08/33/74/181083374.db2.gz VKQLZBAUQXLBJJ-VQIMIIECSA-N 0 3 302.421 4.815 50 0 DJAAHN CC(C)(C)C1=C[C@H](c2ccccc2)[C@H]2CCCC[C@]23OCCN13 ZINC000004769677 181149959 /nfs/dbraw/zinc/14/99/59/181149959.db2.gz PKMKJGOXZVPWQD-OPYAIIAOSA-N 0 3 311.469 4.933 50 0 DJAAHN COc1ccc([C@@H](CCNCc2ccco2)CCC(C)C)cc1 ZINC000005500528 181250702 /nfs/dbraw/zinc/25/07/02/181250702.db2.gz KWYNQLDOWSHLAG-GOSISDBHSA-N 0 3 315.457 4.988 50 0 DJAAHN C[C@H](NCc1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccccc1 ZINC000019872172 182159368 /nfs/dbraw/zinc/15/93/68/182159368.db2.gz NATUZEAPAOKDTI-HTAPYJJXSA-N 0 3 317.432 4.565 50 0 DJAAHN C[C@@H](N[C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000020148242 182192688 /nfs/dbraw/zinc/19/26/88/182192688.db2.gz JCBUUUZWBBBREJ-WDEREUQCSA-N 0 3 310.260 4.922 50 0 DJAAHN CCc1ccc(NC(=O)CN[C@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000040161548 183041848 /nfs/dbraw/zinc/04/18/48/183041848.db2.gz YPNPEHZHKIUNDY-MRXNPFEDSA-N 0 3 324.468 4.662 50 0 DJAAHN CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 ZINC000040833600 183140037 /nfs/dbraw/zinc/14/00/37/183140037.db2.gz VHFYWGRJQKGNOJ-UHFFFAOYSA-N 0 3 300.160 4.644 50 0 DJAAHN Cc1ccc(CN[C@@H](C)c2ccc(Br)cc2)s1 ZINC000042210086 183242877 /nfs/dbraw/zinc/24/28/77/183242877.db2.gz QTYPLYWUFDHEIU-NSHDSACASA-N 0 3 310.260 4.670 50 0 DJAAHN CCC(CC)[C@H](NCc1cccc2c1OCO2)c1ccccc1 ZINC000058154674 184081480 /nfs/dbraw/zinc/08/14/80/184081480.db2.gz PAJBMYLEWUMIAC-IBGZPJMESA-N 0 3 311.425 4.682 50 0 DJAAHN C[C@@H](c1cccc(-c2coc3ccccc3c2=O)c1)N1CCCC1 ZINC000065385063 184333288 /nfs/dbraw/zinc/33/32/88/184333288.db2.gz VPTJEVZZIWNQCR-HNNXBMFYSA-N 0 3 319.404 4.617 50 0 DJAAHN CC(=O)c1ccc(F)cc1-c1cccc([C@H](C)N2CCCC2)c1 ZINC000534577272 334288149 /nfs/dbraw/zinc/28/81/49/334288149.db2.gz VWYWXJDMWLHWGI-AWEZNQCLSA-N 0 3 311.400 4.852 50 0 DJAAHN Cc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccc(F)cc2)cc1C ZINC000012302592 563366163 /nfs/dbraw/zinc/36/61/63/563366163.db2.gz JHINFPMOUWSQRT-OAHLLOKOSA-N 0 3 323.415 4.683 50 0 DJAAHN COc1ccccc1CN1CCCCC[C@@H]1c1cccs1 ZINC000033087308 563443806 /nfs/dbraw/zinc/44/38/06/563443806.db2.gz NTBJTMCAIJOTQL-MRXNPFEDSA-N 0 3 301.455 4.874 50 0 DJAAHN CC(=O)c1cccc(Nc2c3c(nc4ccccc42)CCC3)c1 ZINC000000122872 563571250 /nfs/dbraw/zinc/57/12/50/563571250.db2.gz COFGHNNNKUCSMV-UHFFFAOYSA-N 0 3 302.377 4.670 50 0 DJAAHN C([C@@H]1COC2(CCCCCCCCCCC2)O1)N1CCCCC1 ZINC000000286761 563584684 /nfs/dbraw/zinc/58/46/84/563584684.db2.gz OIIPIUYWDFRYAK-LJQANCHMSA-N 0 3 323.521 4.889 50 0 DJAAHN CC(C)CNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000006883567 563639102 /nfs/dbraw/zinc/63/91/02/563639102.db2.gz FHYHHNPOXMLJQZ-UHFFFAOYSA-N 0 3 321.823 4.804 50 0 DJAAHN c1csc(-c2cc(CN3CCC[C@@H]4CCCC[C@H]43)no2)c1 ZINC000106858625 563682427 /nfs/dbraw/zinc/68/24/27/563682427.db2.gz ZCRCKCFAYICQFN-DZGCQCFKSA-N 0 3 302.443 4.558 50 0 DJAAHN COc1ccc(OC)c(CN[C@H](C)c2cccc3ccccc32)c1 ZINC000025364064 563726483 /nfs/dbraw/zinc/72/64/83/563726483.db2.gz IOTMGINWJQENIO-OAHLLOKOSA-N 0 3 321.420 4.708 50 0 DJAAHN CCc1ccc([C@H](C)N[C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000083823612 563812096 /nfs/dbraw/zinc/81/20/96/563812096.db2.gz QWYMQABRNFIAJB-IRXDYDNUSA-N 0 3 319.452 4.847 50 0 DJAAHN Cc1cc(C)c(C)c([C@@H](OCCN(C)C)c2ccccc2)c1C ZINC000044559813 563847759 /nfs/dbraw/zinc/84/77/59/563847759.db2.gz ASZGHNNKTQHAFA-NRFANRHFSA-N 0 3 311.469 4.588 50 0 DJAAHN CCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1C ZINC000239274824 563879655 /nfs/dbraw/zinc/87/96/55/563879655.db2.gz ASKDBXWNERMDNU-YHXSNJQLSA-N 0 3 323.480 4.876 50 0 DJAAHN C[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)[C@H]2CCCC[C@H]12 ZINC000036390037 563897985 /nfs/dbraw/zinc/89/79/85/563897985.db2.gz XWEBGPXGDINQEI-NXHRZFHOSA-N 0 3 310.441 4.742 50 0 DJAAHN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCCCC1 ZINC000007378125 563905328 /nfs/dbraw/zinc/90/53/28/563905328.db2.gz GNTNPPOGASELDA-KRWDZBQOSA-N 0 3 322.452 4.557 50 0 DJAAHN FC(F)(F)c1cccc(-c2cncc(CN3CCCCC3)c2)c1 ZINC000037554177 563918799 /nfs/dbraw/zinc/91/87/99/563918799.db2.gz KICMMENRTPVKJP-UHFFFAOYSA-N 0 3 320.358 4.753 50 0 DJAAHN C[C@@H](NCc1ccc(Oc2ccccc2)cc1)c1ccncc1 ZINC000095955768 563932361 /nfs/dbraw/zinc/93/23/61/563932361.db2.gz BKPOYFSFCZRCDF-MRXNPFEDSA-N 0 3 304.393 4.725 50 0 DJAAHN CC[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(Cl)s1 ZINC000095967732 563933181 /nfs/dbraw/zinc/93/31/81/563933181.db2.gz RUEBLISWSAAMQH-OLZOCXBDSA-N 0 3 307.846 4.835 50 0 DJAAHN CC(C)C[C@H](NCc1cccc2cccnc21)c1ccccn1 ZINC000096476676 563937273 /nfs/dbraw/zinc/93/72/73/563937273.db2.gz VNIHFPDSZUPQJK-IBGZPJMESA-N 0 3 305.425 4.507 50 0 DJAAHN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000008748717 563950383 /nfs/dbraw/zinc/95/03/83/563950383.db2.gz QOAFCHTUSNQKHL-HKUYNNGSSA-N 0 3 324.468 4.617 50 0 DJAAHN C[C@H](NCc1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000009739888 563957587 /nfs/dbraw/zinc/95/75/87/563957587.db2.gz AXYSXFPRKQGTKT-ZDUSSCGKSA-N 0 3 311.816 4.581 50 0 DJAAHN C[C@H](c1ccccn1)N(C)Cc1cccc(-c2ccccc2)c1 ZINC000095468627 185372456 /nfs/dbraw/zinc/37/24/56/185372456.db2.gz ZIBBOYCVETUNMH-QGZVFWFLSA-N 0 3 302.421 4.942 50 0 DJAAHN CN(CCOc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000004905510 181171226 /nfs/dbraw/zinc/17/12/26/181171226.db2.gz NNAYUDQWATWDIH-UHFFFAOYSA-N 0 3 310.224 4.504 50 0 DJAAHN Cc1ncsc1[C@H](C)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000089516924 192807778 /nfs/dbraw/zinc/80/77/78/192807778.db2.gz WWIMZWBKGWBTBC-XJKSGUPXSA-N 0 3 300.471 4.915 50 0 DJAAHN CCCCN(Cc1ccc(Br)o1)Cc1ccccc1 ZINC000006397516 181337087 /nfs/dbraw/zinc/33/70/87/181337087.db2.gz IVLNKGSTGJMWEU-UHFFFAOYSA-N 0 3 322.246 4.844 50 0 DJAAHN CC(C)c1cccc(OCCN2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624344 181362388 /nfs/dbraw/zinc/36/23/88/181362388.db2.gz LGWMZWJFYITHPM-OAQYLSRUSA-N 0 3 324.468 4.811 50 0 biogenic DJAAHN C[C@@H](NCc1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccccc1 ZINC000019872170 182159088 /nfs/dbraw/zinc/15/90/88/182159088.db2.gz NATUZEAPAOKDTI-VGOFRKELSA-N 0 3 317.432 4.565 50 0 DJAAHN COc1cc(CN[C@@H](C)c2cccc3ccccc32)cc(OC)c1 ZINC000022787773 182335008 /nfs/dbraw/zinc/33/50/08/182335008.db2.gz RGBZTVSRFGAEDK-HNNXBMFYSA-N 0 3 321.420 4.708 50 0 DJAAHN Cc1ccccc1CN(C)Cc1ccccc1Oc1cccnc1 ZINC000057995455 184065530 /nfs/dbraw/zinc/06/55/30/184065530.db2.gz NMUORBNYFBQCOS-UHFFFAOYSA-N 0 3 318.420 4.814 50 0 DJAAHN Cc1ccc(C)c(N2CCN(CC[C@@H](C)c3ccccc3)CC2)c1 ZINC000004980688 134466968 /nfs/dbraw/zinc/46/69/68/134466968.db2.gz YDFSQAALRMLOLL-LJQANCHMSA-N 0 3 322.496 4.619 50 0 DJAAHN Clc1ccc(NCc2cc(CN3CCCCC3)cs2)cc1 ZINC000045796093 563465130 /nfs/dbraw/zinc/46/51/30/563465130.db2.gz MXYVKPJITFFMHK-UHFFFAOYSA-N 0 3 320.889 5.000 50 0 DJAAHN Cc1ccc(C)c(C(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000002514512 563305198 /nfs/dbraw/zinc/30/51/98/563305198.db2.gz HBBJRNQOSIQFPB-UHFFFAOYSA-N 0 3 307.437 4.520 50 0 DJAAHN Cc1ccc(C)c(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000010362826 563356561 /nfs/dbraw/zinc/35/65/61/563356561.db2.gz DKWUPXIQIKKOCO-UHFFFAOYSA-N 0 3 322.452 4.542 50 0 DJAAHN CCCN(Cc1nc(-c2cccc(F)c2F)oc1C)CC1CC1 ZINC000012702658 563372399 /nfs/dbraw/zinc/37/23/99/563372399.db2.gz AJZZBZLQEMBSFR-UHFFFAOYSA-N 0 3 320.383 4.550 50 0 DJAAHN CCOc1ccc2nc(Cl)c(CNC3CCCCC3)cc2c1 ZINC000013535378 563382599 /nfs/dbraw/zinc/38/25/99/563382599.db2.gz ZLIZLFKRZXVHFV-UHFFFAOYSA-N 0 3 318.848 4.709 50 0 DJAAHN c1c2ccccc2oc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000015064727 563406986 /nfs/dbraw/zinc/40/69/86/563406986.db2.gz ORWURHFQLZYQEM-GOSISDBHSA-N 0 3 306.409 4.509 50 0 DJAAHN CC(C)c1cc(C2CCN(Cc3cc4ccccc4o3)CC2)[nH]n1 ZINC000067723485 563489618 /nfs/dbraw/zinc/48/96/18/563489618.db2.gz VXLLNKXCGMMCMM-UHFFFAOYSA-N 0 3 323.440 4.659 50 0 DJAAHN CC(C)c1cc(C2CCN(Cc3cc4ccccc4o3)CC2)n[nH]1 ZINC000067723485 563489621 /nfs/dbraw/zinc/48/96/21/563489621.db2.gz VXLLNKXCGMMCMM-UHFFFAOYSA-N 0 3 323.440 4.659 50 0 DJAAHN Fc1ccc(CN2CCC[C@H]2c2ccsc2)c2ncccc12 ZINC000051853010 563724098 /nfs/dbraw/zinc/72/40/98/563724098.db2.gz OHXIEEBVWSJXIF-KRWDZBQOSA-N 0 3 312.413 4.773 50 0 DJAAHN CCCOc1ccccc1CCN1CCCC[C@H]1c1cccnc1 ZINC000002087508 563913677 /nfs/dbraw/zinc/91/36/77/563913677.db2.gz CXMQRCPGLWUBHZ-FQEVSTJZSA-N 0 3 324.468 4.640 50 0 biogenic DJAAHN c1ccc2cc(-c3cncc(CN4CCCCC4)c3)ccc2c1 ZINC000037554017 563918714 /nfs/dbraw/zinc/91/87/14/563918714.db2.gz LEJKHINZLXSZFQ-UHFFFAOYSA-N 0 3 302.421 4.888 50 0 DJAAHN CC[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(Cl)s1 ZINC000095967730 563932922 /nfs/dbraw/zinc/93/29/22/563932922.db2.gz RUEBLISWSAAMQH-CHWSQXEVSA-N 0 3 307.846 4.835 50 0 DJAAHN C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc(Cl)s1 ZINC000095968362 563933269 /nfs/dbraw/zinc/93/32/69/563933269.db2.gz FVEZKNAYLZWNMC-JSGCOSHPSA-N 0 3 309.862 4.566 50 0 DJAAHN c1ccc([C@H](NC[C@@H]2C[C@H]2c2ccccc2)c2ccncc2)cc1 ZINC000095981660 563933911 /nfs/dbraw/zinc/93/39/11/563933911.db2.gz IKMIORSJIUAYGD-FKBYEOEOSA-N 0 3 314.432 4.564 50 0 DJAAHN CCCCc1ccc2[nH]c(C)c(CN(C)CCCC)c(=O)c2c1 ZINC000008717212 563949916 /nfs/dbraw/zinc/94/99/16/563949916.db2.gz AETBJAXFKWWDLR-UHFFFAOYSA-N 0 3 314.473 4.823 50 0 DJAAHN CC(=O)Nc1ccc(CN[C@H](C)c2cccc3ccccc32)cc1 ZINC000014092823 568414718 /nfs/dbraw/zinc/41/47/18/568414718.db2.gz UWYCWLLVDGRFBS-OAHLLOKOSA-N 0 3 318.420 4.649 50 0 DJAAHN Cc1cc2oc(=O)cc(CN3CCCCCC3)c2cc1C(C)C ZINC000003342460 181009262 /nfs/dbraw/zinc/00/92/62/181009262.db2.gz HQECTECVKOAIPK-UHFFFAOYSA-N 0 3 313.441 4.601 50 0 DJAAHN CCCCN(C)Cc1c(-c2ccc(C)cc2)nc2sccn12 ZINC000004566802 181125292 /nfs/dbraw/zinc/12/52/92/181125292.db2.gz FQSMGJRCJJMTFA-UHFFFAOYSA-N 0 3 313.470 4.603 50 0 DJAAHN COc1ccc(CNCc2cccc(Oc3ccccc3)c2)cc1 ZINC000004700377 181139127 /nfs/dbraw/zinc/13/91/27/181139127.db2.gz IRZTVIUZJPYVAW-UHFFFAOYSA-N 0 3 319.404 4.777 50 0 DJAAHN CCOc1ccc(Nc2cc(C)nc3ccc(OC)cc32)cc1 ZINC000005644944 181267318 /nfs/dbraw/zinc/26/73/18/181267318.db2.gz MUSGHHQBCDPWLT-UHFFFAOYSA-N 0 3 308.381 4.694 50 0 DJAAHN CN(C)Cc1ccccc1Sc1ccccc1C(F)(F)F ZINC000006177299 181317747 /nfs/dbraw/zinc/31/77/47/181317747.db2.gz MIKJXGQGXWCRIU-UHFFFAOYSA-N 0 3 311.372 4.918 50 0 DJAAHN CC(C)Oc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837246 182020761 /nfs/dbraw/zinc/02/07/61/182020761.db2.gz HQMKBCFYCQGEKO-FQEVSTJZSA-N 0 3 313.416 4.950 50 0 DJAAHN CC[C@@H](CNCc1ccccc1Cl)Oc1ccccc1C ZINC000019737606 182141329 /nfs/dbraw/zinc/14/13/29/182141329.db2.gz FHIXCPHRXXGNLD-INIZCTEOSA-N 0 3 303.833 4.596 50 0 DJAAHN COc1ccc(CN2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087321 563444421 /nfs/dbraw/zinc/44/44/21/563444421.db2.gz FKOBIOVFDIBBQD-KRWDZBQOSA-N 0 3 301.455 4.874 50 0 DJAAHN Cc1cccc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)c1C ZINC000001227096 563279848 /nfs/dbraw/zinc/27/98/48/563279848.db2.gz GNIKXVAQLIOXFL-UHFFFAOYSA-N 0 3 322.496 4.749 50 0 DJAAHN CC(C)CC[C@]1(CCNCc2ccco2)CCOC(C)(C)C1 ZINC000002112330 563300177 /nfs/dbraw/zinc/30/01/77/563300177.db2.gz SMWWVQMZQWETQU-IBGZPJMESA-N 0 3 307.478 4.771 50 0 biogenic DJAAHN CCCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000002887462 563316923 /nfs/dbraw/zinc/31/69/23/563316923.db2.gz BMMLTKDYUZIRDW-UHFFFAOYSA-N 0 3 303.833 4.809 50 0 DJAAHN Clc1ccccc1CSC1=NCCCN1C1CCCCC1 ZINC000003138699 563322227 /nfs/dbraw/zinc/32/22/27/563322227.db2.gz QGHZBHBPGFEOTP-UHFFFAOYSA-N 0 3 322.905 4.968 50 0 DJAAHN Cc1ccc(C)c(N2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000004980442 563328390 /nfs/dbraw/zinc/32/83/90/563328390.db2.gz CHSGVYCMVYIQFC-UHFFFAOYSA-N 0 3 322.496 4.749 50 0 DJAAHN CCSCCCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000072304827 563443988 /nfs/dbraw/zinc/44/39/88/563443988.db2.gz UDOQKNZPZVKGIN-MRXNPFEDSA-N 0 3 323.552 4.900 50 0 DJAAHN CC1(C)Cc2c3ccccc3ccc2C(CCN2CCCCC2)=N1 ZINC000001230495 563448320 /nfs/dbraw/zinc/44/83/20/563448320.db2.gz JEQBWWPAELPHQM-UHFFFAOYSA-N 0 3 320.480 4.840 50 0 DJAAHN Cc1cc([C@@H]2CCCN2Cc2cn(C(C)C)c3ccccc23)on1 ZINC000035453891 563452672 /nfs/dbraw/zinc/45/26/72/563452672.db2.gz GEOYNXVGWFYJNT-IBGZPJMESA-N 0 3 323.440 4.856 50 0 DJAAHN Cc1c(Cl)cccc1NC1CCN(Cc2ccccc2)CC1 ZINC000000757098 563632215 /nfs/dbraw/zinc/63/22/15/563632215.db2.gz HKFFLEPJELUEEL-UHFFFAOYSA-N 0 3 314.860 4.725 50 0 DJAAHN CC(C)SCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000225771544 563763176 /nfs/dbraw/zinc/76/31/76/563763176.db2.gz YKKSTMNUYKHMFB-ZDUSSCGKSA-N 0 3 309.372 4.550 50 0 DJAAHN CCC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CC ZINC000239174166 563879474 /nfs/dbraw/zinc/87/94/74/563879474.db2.gz PKBJXKBRDPQZEK-YSFYHYPLSA-N 0 3 323.480 5.020 50 0 DJAAHN CCCC1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C ZINC000239274822 563879648 /nfs/dbraw/zinc/87/96/48/563879648.db2.gz ASKDBXWNERMDNU-DEPWHIHDSA-N 0 3 323.480 4.876 50 0 DJAAHN COc1ccc([C@@H](C)N[C@H]2COc3ccccc32)c2ccccc12 ZINC000089517232 563889517 /nfs/dbraw/zinc/88/95/17/563889517.db2.gz IZWASBMZWDKRCL-KUHUBIRLSA-N 0 3 319.404 4.633 50 0 DJAAHN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000036347929 563895550 /nfs/dbraw/zinc/89/55/50/563895550.db2.gz DTIYUDNKPQMFIK-QFIPXVFZSA-N 0 3 316.448 4.792 50 0 DJAAHN C[C@H](c1cc2ccccc2o1)N(C)Cc1cnoc1-c1ccco1 ZINC000089904637 563912150 /nfs/dbraw/zinc/91/21/50/563912150.db2.gz IQYQPQKARUPPNH-CYBMUJFWSA-N 0 3 322.364 4.874 50 0 DJAAHN Cc1ccc(Cl)c(OCCCN(C)Cc2ccccc2)c1 ZINC000002825266 563913099 /nfs/dbraw/zinc/91/30/99/563913099.db2.gz ZQEXXTHWIUDAAP-UHFFFAOYSA-N 0 3 303.833 4.549 50 0 DJAAHN Cc1cc([C@H](C)N[C@H](CCCO)c2ccccc2)c(C)s1 ZINC000095423051 563931288 /nfs/dbraw/zinc/93/12/88/563931288.db2.gz YECHCDNQWMDJJP-KBXCAEBGSA-N 0 3 303.471 4.529 50 0 DJAAHN Cc1cc([C@@H](C)N[C@@H](CCCO)c2ccccc2)c(C)s1 ZINC000095423048 563931349 /nfs/dbraw/zinc/93/13/49/563931349.db2.gz YECHCDNQWMDJJP-KDOFPFPSSA-N 0 3 303.471 4.529 50 0 DJAAHN COc1ccc([C@H](C)N[C@H](C)c2ccncc2)c2ccccc12 ZINC000095419206 185359879 /nfs/dbraw/zinc/35/98/79/185359879.db2.gz NGJYDIVEKYFKEB-CABCVRRESA-N 0 3 306.409 4.655 50 0 DJAAHN Cc1nc(Cc2nc(C)c(-c3ccc(F)cc3)s2)cs1 ZINC000095427185 185361906 /nfs/dbraw/zinc/36/19/06/185361906.db2.gz KLRSKCNAXCWNNG-UHFFFAOYSA-N 0 3 304.415 4.613 50 0 DJAAHN COc1ccsc1CN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095467761 185371986 /nfs/dbraw/zinc/37/19/86/185371986.db2.gz OQKMMAIUYOBIHU-UHFFFAOYSA-N 0 3 324.449 4.527 50 0 DJAAHN CC(C)C/C=C(\CN1CC(c2ccncc2)C1)c1ccccc1 ZINC000072163657 191063877 /nfs/dbraw/zinc/06/38/77/191063877.db2.gz LYGMVKRPAQSKMQ-AWQFTUOYSA-N 0 3 306.453 4.611 50 0 DJAAHN C[C@H](c1ccccc1[C@](O)(c1ccccc1)C(C)(C)C)N(C)C ZINC000072437756 191166158 /nfs/dbraw/zinc/16/61/58/191166158.db2.gz JUYUTBYMCJGZKF-IIBYNOLFSA-N 0 3 311.469 4.591 50 0 DJAAHN c1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1 ZINC000002380305 180921794 /nfs/dbraw/zinc/92/17/94/180921794.db2.gz UDWWEWUMDPELDN-UHFFFAOYSA-N 0 3 303.405 4.555 50 0 DJAAHN C[C@@H](C[C@@H]1NCc2ccccc2-n2cccc21)c1ccccc1 ZINC000004188344 181083337 /nfs/dbraw/zinc/08/33/37/181083337.db2.gz VKQLZBAUQXLBJJ-LPHOPBHVSA-N 0 3 302.421 4.815 50 0 DJAAHN Cc1ccc(C(N)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000004557447 181124535 /nfs/dbraw/zinc/12/45/35/181124535.db2.gz XWCAKECWGZSJKC-UHFFFAOYSA-N 0 3 301.433 4.862 50 0 DJAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O ZINC000004889099 181168823 /nfs/dbraw/zinc/16/88/23/181168823.db2.gz BRKDPSAOJQTDPB-IVAOSVALSA-N 0 3 309.453 4.630 50 0 DJAAHN Cc1ccc(CSCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000005463485 181246506 /nfs/dbraw/zinc/24/65/06/181246506.db2.gz SLNNWSARGQKXOZ-UHFFFAOYSA-N 0 3 305.830 4.520 50 0 DJAAHN CCOC(=O)c1c(N)sc2c1CCCCCCCCCC2 ZINC000005461102 181246527 /nfs/dbraw/zinc/24/65/27/181246527.db2.gz UPRNBYHQTZQOLD-UHFFFAOYSA-N 0 3 309.475 4.726 50 0 DJAAHN CCCc1[nH]c2c(c3nc4ccccc4c1-3)[C@@H](O)CC(C)(C)C2 ZINC000005904211 181294897 /nfs/dbraw/zinc/29/48/97/181294897.db2.gz GAXQYQOOCOXVFU-INIZCTEOSA-N 0 3 308.425 4.674 50 0 biogenic DJAAHN CCCc1nc2c(c3[nH]c4ccccc4c31)[C@@H](O)CC(C)(C)C2 ZINC000005904211 181294900 /nfs/dbraw/zinc/29/49/00/181294900.db2.gz GAXQYQOOCOXVFU-INIZCTEOSA-N 0 3 308.425 4.674 50 0 biogenic DJAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(C)O ZINC000245231339 202513066 /nfs/dbraw/zinc/51/30/66/202513066.db2.gz BRKDPSAOJQTDPB-ANULTFPQSA-N 0 3 309.453 4.630 50 0 DJAAHN CNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 ZINC000040380450 183058342 /nfs/dbraw/zinc/05/83/42/183058342.db2.gz CPLHAFLWFOQFKD-UHFFFAOYSA-N 0 3 300.160 4.644 50 0 DJAAHN CCc1oc2ccccc2c1CNCc1cc2ccccc2[nH]1 ZINC000058473847 184119771 /nfs/dbraw/zinc/11/97/71/184119771.db2.gz CRTWJJSCMYSZRE-UHFFFAOYSA-N 0 3 304.393 4.766 50 0 DJAAHN CCN(Cc1nc2ccccc2n1C(F)F)C1CCCCC1 ZINC000059037347 184133899 /nfs/dbraw/zinc/13/38/99/184133899.db2.gz YIIFLVGMMGHCTQ-UHFFFAOYSA-N 0 3 307.388 4.586 50 0 DJAAHN CC(=O)c1c(C)cc(C)c(CNC2(c3ccccc3)CCC2)c1C ZINC000064343703 184294785 /nfs/dbraw/zinc/29/47/85/184294785.db2.gz MPTOUXZPZXVJSZ-UHFFFAOYSA-N 0 3 321.464 4.983 50 0 DJAAHN Cc1nc2c(s1)[C@@H](N(C)Cc1c(C)cccc1C)CCC2 ZINC000170634517 563912853 /nfs/dbraw/zinc/91/28/53/563912853.db2.gz SARXTYXHKPCZJP-KRWDZBQOSA-N 0 3 300.471 4.578 50 0 DJAAHN CC[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(Cl)s1 ZINC000095967729 563932859 /nfs/dbraw/zinc/93/28/59/563932859.db2.gz RUEBLISWSAAMQH-QWHCGFSZSA-N 0 3 307.846 4.835 50 0 DJAAHN Cc1cccc(C)c1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000002514513 563305174 /nfs/dbraw/zinc/30/51/74/563305174.db2.gz HZRLBOBNPFLPQO-UHFFFAOYSA-N 0 3 307.437 4.520 50 0 DJAAHN CCOC(=O)c1cccc(Nc2cc(C)nc3ccc(C)cc32)c1 ZINC000006570126 563332911 /nfs/dbraw/zinc/33/29/11/563332911.db2.gz SDGWIGYOAPZDKD-UHFFFAOYSA-N 0 3 320.392 4.772 50 0 DJAAHN c1c2ccccc2oc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000015064728 563407041 /nfs/dbraw/zinc/40/70/41/563407041.db2.gz ORWURHFQLZYQEM-SFHVURJKSA-N 0 3 306.409 4.509 50 0 DJAAHN CCC(=O)Nc1ccc([C@H](C)NCc2ccc(Cl)cc2)cc1 ZINC000030640366 563437738 /nfs/dbraw/zinc/43/77/38/563437738.db2.gz JDLHZAVSBWZARL-ZDUSSCGKSA-N 0 3 316.832 4.539 50 0 DJAAHN COc1ccc(CN2CCCCC[C@H]2c2cccs2)cc1O ZINC000033087149 563443837 /nfs/dbraw/zinc/44/38/37/563443837.db2.gz DKVDGSWGZILXQT-HNNXBMFYSA-N 0 3 317.454 4.580 50 0 DJAAHN CCSCCCN1CCc2sccc2[C@H]1c1cccs1 ZINC000072304828 563443870 /nfs/dbraw/zinc/44/38/70/563443870.db2.gz UDOQKNZPZVKGIN-INIZCTEOSA-N 0 3 323.552 4.900 50 0 DJAAHN CC(C)C[C@@H](N)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000033414782 563445638 /nfs/dbraw/zinc/44/56/38/563445638.db2.gz KBDLEVJSRJXEGL-KRWDZBQOSA-N 0 3 319.341 4.668 50 0 DJAAHN Cc1cc([C@H]2CCCN2Cc2cn(C(C)C)c3ccccc23)on1 ZINC000035453894 563452866 /nfs/dbraw/zinc/45/28/66/563452866.db2.gz GEOYNXVGWFYJNT-LJQANCHMSA-N 0 3 323.440 4.856 50 0 DJAAHN COc1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1OC ZINC000011667594 563563329 /nfs/dbraw/zinc/56/33/29/563563329.db2.gz HFUQEVGAUVOLDS-ZRDIBKRKSA-N 0 3 307.393 4.781 50 0 DJAAHN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccc(F)cc1 ZINC000000287019 563585250 /nfs/dbraw/zinc/58/52/50/563585250.db2.gz PSRWWQVARJZAIO-IBGZPJMESA-N 0 3 308.400 4.783 50 0 DJAAHN CCCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007262349 563639579 /nfs/dbraw/zinc/63/95/79/563639579.db2.gz NBIRKALBVNYOFQ-UHFFFAOYSA-N 0 3 307.796 4.558 50 0 DJAAHN Oc1ccc(CC[C@H]2CCCCN2Cc2ccc(Cl)o2)cc1 ZINC000215537571 563706390 /nfs/dbraw/zinc/70/63/90/563706390.db2.gz DVMJIVWXYKKJDL-OAHLLOKOSA-N 0 3 319.832 4.626 50 0 DJAAHN COC1CCN(Cc2ccc(-c3ccc(C)c(Cl)c3)o2)CC1 ZINC000216234937 563708079 /nfs/dbraw/zinc/70/80/79/563708079.db2.gz QVOHSDNQMKBPHQ-UHFFFAOYSA-N 0 3 319.832 4.519 50 0 DJAAHN CC[C@@H](NCc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 ZINC000030655893 563763557 /nfs/dbraw/zinc/76/35/57/563763557.db2.gz NAESSBRKPRNZKC-GOSISDBHSA-N 0 3 316.832 4.539 50 0 DJAAHN Cc1ccsc1CNCc1ccccc1OC1CCCC1 ZINC000084257559 563825681 /nfs/dbraw/zinc/82/56/81/563825681.db2.gz DHHOPRRFRATNPR-UHFFFAOYSA-N 0 3 301.455 4.668 50 0 DJAAHN Clc1ccc(-c2cnc(CN(C3CC3)C3CCCC3)o2)cc1 ZINC000084419624 563826104 /nfs/dbraw/zinc/82/61/04/563826104.db2.gz TUYBKDJPQGIEOV-UHFFFAOYSA-N 0 3 316.832 4.902 50 0 DJAAHN Fc1cc2cccnc2c(CN2CCC(c3ccccc3)CC2)c1 ZINC000084525559 563827549 /nfs/dbraw/zinc/82/75/49/563827549.db2.gz OXGAIEHEODTTDQ-UHFFFAOYSA-N 0 3 320.411 4.754 50 0 DJAAHN CCC[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CC ZINC000239174165 563879518 /nfs/dbraw/zinc/87/95/18/563879518.db2.gz PKBJXKBRDPQZEK-CZYKHXBRSA-N 0 3 323.480 5.020 50 0 DJAAHN CCc1nc(C)c([C@H](C)N(C)Cc2cc(C)ccc2C)s1 ZINC000170639772 563913854 /nfs/dbraw/zinc/91/38/54/563913854.db2.gz LIIDMLYBIIMQRY-HNNXBMFYSA-N 0 3 302.487 4.824 50 0 DJAAHN C[C@@H]1CCCCN1Cc1cncc(-c2ccc(Cl)cc2)c1 ZINC000037553889 563918654 /nfs/dbraw/zinc/91/86/54/563918654.db2.gz OMGNATHLMZGOQC-CQSZACIVSA-N 0 3 300.833 4.776 50 0 DJAAHN C[C@@H](NCc1ccc(OCc2ccccn2)cc1)c1ccsc1 ZINC000095420541 185360135 /nfs/dbraw/zinc/36/01/35/185360135.db2.gz JHASWZPELPRGKM-OAHLLOKOSA-N 0 3 324.449 4.573 50 0 DJAAHN CC[C@@H](N[C@H](C)c1ccc(SC)c(OC)c1)c1ccncc1 ZINC000097017089 185397428 /nfs/dbraw/zinc/39/74/28/185397428.db2.gz PFEMNITWXBJBMZ-CZUORRHYSA-N 0 3 316.470 4.614 50 0 DJAAHN c1csc(-c2cc(CN3CCC[C@H]4CCCC[C@@H]43)no2)c1 ZINC000057590570 190687251 /nfs/dbraw/zinc/68/72/51/190687251.db2.gz ZCRCKCFAYICQFN-HIFRSBDPSA-N 0 3 302.443 4.558 50 0 DJAAHN COc1ccc(C)cc1Nc1c2c(nc3ccccc31)CCC2 ZINC000004923612 181173689 /nfs/dbraw/zinc/17/36/89/181173689.db2.gz GOQCYAVABDHTNR-UHFFFAOYSA-N 0 3 304.393 4.784 50 0 DJAAHN c1csc(CNCc2cccc(OCc3ccccc3)c2)c1 ZINC000005064393 181199672 /nfs/dbraw/zinc/19/96/72/181199672.db2.gz OSNYREWASKNTHY-UHFFFAOYSA-N 0 3 309.434 4.617 50 0 DJAAHN C[C@@H](NCc1ccc(-c2ccccc2)cc1)[C@H](O)c1ccccc1 ZINC000019872174 182159304 /nfs/dbraw/zinc/15/93/04/182159304.db2.gz NATUZEAPAOKDTI-VGSWGCGISA-N 0 3 317.432 4.565 50 0 DJAAHN Brc1csc(CN[C@H]2CCCc3ccccc32)c1 ZINC000020306055 182204985 /nfs/dbraw/zinc/20/49/85/182204985.db2.gz OWEIENIRYIYPDE-HNNXBMFYSA-N 0 3 322.271 4.678 50 0 DJAAHN COc1ccc(CN[C@H](C)c2cccc3ccccc32)cc1OC ZINC000022787599 182335034 /nfs/dbraw/zinc/33/50/34/182335034.db2.gz MMWSATIVNJFMNB-OAHLLOKOSA-N 0 3 321.420 4.708 50 0 DJAAHN COc1ccc(CN[C@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000022787539 182335276 /nfs/dbraw/zinc/33/52/76/182335276.db2.gz PNYXMFBAZQFVCE-OAHLLOKOSA-N 0 3 321.420 4.708 50 0 DJAAHN CN(C)CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000039369626 183017306 /nfs/dbraw/zinc/01/73/06/183017306.db2.gz VTZHFVOBHLZDPR-UHFFFAOYSA-N 0 3 324.449 4.662 50 0 DJAAHN c1nc(CN(CC2CC2)C2CCCCC2)oc1-c1ccccc1 ZINC000060563746 184152459 /nfs/dbraw/zinc/15/24/59/184152459.db2.gz UPOWHIQBHJQNLZ-UHFFFAOYSA-N 0 3 310.441 4.886 50 0 DJAAHN CC(C)(NCc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000408514410 257256000 /nfs/dbraw/zinc/25/60/00/257256000.db2.gz FELHASZXUDCBAR-UHFFFAOYSA-N 0 3 309.331 4.610 50 0 DJAAHN COc1ccc2cc(CNCc3ccc4[nH]ccc4c3)ccc2c1 ZINC000328595682 533331381 /nfs/dbraw/zinc/33/13/81/533331381.db2.gz AKDRJXTXAHCYJX-UHFFFAOYSA-N 0 3 316.404 4.620 50 0 DJAAHN COC(=O)c1cccc(Nc2cc(C)nc3c(C)cc(C)cc23)c1 ZINC000000071959 563213445 /nfs/dbraw/zinc/21/34/45/563213445.db2.gz PWPNXHIHCAUBOK-UHFFFAOYSA-N 0 3 320.392 4.690 50 0 DJAAHN CC(C)(C)NCc1cc(Cl)ccc1OCc1cccs1 ZINC000000211335 563230814 /nfs/dbraw/zinc/23/08/14/563230814.db2.gz UDHJTGGOIVVLSX-UHFFFAOYSA-N 0 3 309.862 4.869 50 0 DJAAHN CN(C)CCO[C@@H](c1cccc(Cl)c1)c1ccccc1Cl ZINC000000347512 563242814 /nfs/dbraw/zinc/24/28/14/563242814.db2.gz JBNXNHYDUPJLCJ-KRWDZBQOSA-N 0 3 324.251 4.661 50 0 DJAAHN CN(C)CCS[C@H](c1ccccc1)c1ccccc1Cl ZINC000096026367 563271922 /nfs/dbraw/zinc/27/19/22/563271922.db2.gz HWRTXUTWYRPEBE-QGZVFWFLSA-N 0 3 305.874 4.724 50 0 DJAAHN c1csc(SC2=CCN(CCc3ccccc3)CC2)c1 ZINC000096028002 563295286 /nfs/dbraw/zinc/29/52/86/563295286.db2.gz VQYDQGFHPNPYJK-UHFFFAOYSA-N 0 3 301.480 4.673 50 0 DJAAHN O=C(c1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000002514506 563305463 /nfs/dbraw/zinc/30/54/63/563305463.db2.gz MWWZJUMHBYIWPM-UHFFFAOYSA-N 0 3 313.828 4.557 50 0 DJAAHN CCCCN(Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC000002893843 563317437 /nfs/dbraw/zinc/31/74/37/563317437.db2.gz UIYCCPZJIGGKJF-UHFFFAOYSA-N 0 3 313.441 4.506 50 0 DJAAHN Cc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1C ZINC000010335432 563356229 /nfs/dbraw/zinc/35/62/29/563356229.db2.gz FEIKTXYSNZXKHM-UHFFFAOYSA-N 0 3 322.452 4.542 50 0 DJAAHN CSc1ccccc1C(=O)[C@H]1CCCN(C2CCCCC2)C1 ZINC000015071624 563406723 /nfs/dbraw/zinc/40/67/23/563406723.db2.gz FOPYYUHENQDELF-HNNXBMFYSA-N 0 3 317.498 4.636 50 0 DJAAHN Fc1ccc([C@@H]2CCCN2Cc2cccc3cccnc32)cc1 ZINC000025445932 563422967 /nfs/dbraw/zinc/42/29/67/563422967.db2.gz JEHNRMRTBJDQCK-IBGZPJMESA-N 0 3 306.384 4.711 50 0 DJAAHN CCC(=O)Nc1ccc([C@@H](C)NCc2cccc(Cl)c2)cc1 ZINC000030640291 563437559 /nfs/dbraw/zinc/43/75/59/563437559.db2.gz FEXUCKMZOIEJDF-CYBMUJFWSA-N 0 3 316.832 4.539 50 0 DJAAHN CC(C)C[C@H](N)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000033414783 563445716 /nfs/dbraw/zinc/44/57/16/563445716.db2.gz KBDLEVJSRJXEGL-QGZVFWFLSA-N 0 3 319.341 4.668 50 0 DJAAHN Cc1ccc(OCCN2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000004845579 563449807 /nfs/dbraw/zinc/44/98/07/563449807.db2.gz XBAJDZMCXFUAJP-UHFFFAOYSA-N 0 3 323.480 4.637 50 0 DJAAHN CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(C)O ZINC000005061802 563450353 /nfs/dbraw/zinc/45/03/53/563450353.db2.gz MLVGPNYZXZFREZ-WWOGRVQXSA-N 0 3 323.480 4.876 50 0 DJAAHN Cc1ccc([C@H](OCCN2CCCCC2)c2ccccc2)cc1 ZINC000005600987 563624899 /nfs/dbraw/zinc/62/48/99/563624899.db2.gz ZIMMXYLZQHHFOC-OAQYLSRUSA-N 0 3 309.453 4.587 50 0 DJAAHN CN(C)CCO[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000001999762 563797739 /nfs/dbraw/zinc/79/77/39/563797739.db2.gz UUANXCCUZYBHAN-OAQYLSRUSA-N 0 3 305.421 4.507 50 0 DJAAHN CCOc1ccccc1CN1CCC(Cc2ccccc2)CC1 ZINC000002490789 563890392 /nfs/dbraw/zinc/89/03/92/563890392.db2.gz NOKXTCFCJQKIAJ-UHFFFAOYSA-N 0 3 309.453 4.540 50 0 DJAAHN c1ccc([C@H](NC[C@H]2C[C@@H]2c2ccccc2)c2ccncc2)cc1 ZINC000095981659 563933907 /nfs/dbraw/zinc/93/39/07/563933907.db2.gz IKMIORSJIUAYGD-VSKRKVRLSA-N 0 3 314.432 4.564 50 0 DJAAHN COc1ccccc1[C@H](CCNCc1ccco1)c1ccccc1 ZINC000009575755 563956897 /nfs/dbraw/zinc/95/68/97/563956897.db2.gz QIXFVPBWAOJSCK-LJQANCHMSA-N 0 3 321.420 4.600 50 0 DJAAHN CCC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000003997919 181060551 /nfs/dbraw/zinc/06/05/51/181060551.db2.gz LNIGRARLURFSQQ-CZGNIMDHSA-N 0 3 309.453 4.630 50 0 DJAAHN CC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000004657394 181132717 /nfs/dbraw/zinc/13/27/17/181132717.db2.gz YWKHXTRVMSFKNS-UHFFFAOYSA-N 0 3 321.823 4.946 50 0 DJAAHN Cc1ccc(-c2n[nH]cc2CN[C@@H](C)c2ccccc2)cc1C ZINC000004678986 181136028 /nfs/dbraw/zinc/13/60/28/181136028.db2.gz GLIDFNMHSYUYMZ-INIZCTEOSA-N 0 3 305.425 4.544 50 0 DJAAHN CC(C)[C@H](CCNCc1ccccn1)c1ccc(Cl)cc1 ZINC000006672480 181368650 /nfs/dbraw/zinc/36/86/50/181368650.db2.gz WIUJOZTZDSBSCB-SFHVURJKSA-N 0 3 302.849 4.655 50 0 DJAAHN CCCOc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837249 182020561 /nfs/dbraw/zinc/02/05/61/182020561.db2.gz GNQLQBOVZSTJCE-HXUWFJFHSA-N 0 3 313.416 4.952 50 0 DJAAHN CN(Cc1ccc(-c2ccccc2)cc1)C[C@H](O)c1ccccc1 ZINC000023280030 182355477 /nfs/dbraw/zinc/35/54/77/182355477.db2.gz WIJDURCVVJOMOT-QFIPXVFZSA-N 0 3 317.432 4.519 50 0 DJAAHN CN(Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)c1ccccc1 ZINC000023280027 182355681 /nfs/dbraw/zinc/35/56/81/182355681.db2.gz WIJDURCVVJOMOT-JOCHJYFZSA-N 0 3 317.432 4.519 50 0 DJAAHN Cc1ccccc1-c1cc([C@@H]2CCN(Cc3ccco3)C2)ccn1 ZINC000065404790 184337622 /nfs/dbraw/zinc/33/76/22/184337622.db2.gz GQZPGQTVQCMICQ-GOSISDBHSA-N 0 3 318.420 4.640 50 0 DJAAHN Cc1cc([C@H](C)N[C@@H](CCCO)c2ccccc2)c(C)s1 ZINC000095423049 563931398 /nfs/dbraw/zinc/93/13/98/563931398.db2.gz YECHCDNQWMDJJP-KSSFIOAISA-N 0 3 303.471 4.529 50 0 DJAAHN COc1ccc(Nc2c3c(nc4ccc(C)cc42)CCC3)cc1 ZINC000000142580 563223225 /nfs/dbraw/zinc/22/32/25/563223225.db2.gz OLUVRKGPGULTCI-UHFFFAOYSA-N 0 3 304.393 4.784 50 0 DJAAHN CC(C)CC[C@@]1(CCNCc2ccco2)CCOC(C)(C)C1 ZINC000002112329 563300116 /nfs/dbraw/zinc/30/01/16/563300116.db2.gz SMWWVQMZQWETQU-LJQANCHMSA-N 0 3 307.478 4.771 50 0 biogenic DJAAHN Clc1ccc(OCCCCN2CCc3ccccc3C2)cc1 ZINC000002839466 563314240 /nfs/dbraw/zinc/31/42/40/563314240.db2.gz PIIMDINTTDAQQE-UHFFFAOYSA-N 0 3 315.844 4.557 50 0 DJAAHN Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c(C)c1 ZINC000005014299 563328798 /nfs/dbraw/zinc/32/87/98/563328798.db2.gz QOCKURUUCKZVIX-UHFFFAOYSA-N 0 3 322.452 4.542 50 0 DJAAHN CCOc1ccc(CN[C@H](C)c2cccc(OC(C)C)c2)cc1 ZINC000097393637 563345929 /nfs/dbraw/zinc/34/59/29/563345929.db2.gz NLBSYHJQMRZWOR-MRXNPFEDSA-N 0 3 313.441 4.723 50 0 DJAAHN CCC(=O)Nc1ccc([C@H](C)NCc2cccc(Cl)c2)cc1 ZINC000030640293 563437457 /nfs/dbraw/zinc/43/74/57/563437457.db2.gz FEXUCKMZOIEJDF-ZDUSSCGKSA-N 0 3 316.832 4.539 50 0 DJAAHN CCCC(=O)Nc1ccc(CNCc2c(C)cc(C)cc2C)cc1 ZINC000047719753 563692838 /nfs/dbraw/zinc/69/28/38/563692838.db2.gz YWBQXYOVPCJUKT-UHFFFAOYSA-N 0 3 324.468 4.640 50 0 DJAAHN CCCC(=O)Nc1ccc(CNCc2ccc(C(C)C)cc2)cc1 ZINC000047719776 563692897 /nfs/dbraw/zinc/69/28/97/563692897.db2.gz WILLEHIRTCFNIO-UHFFFAOYSA-N 0 3 324.468 4.838 50 0 DJAAHN CC(C)c1nnc(CN2CCCCC[C@@H]2C2CCCCC2)o1 ZINC000225397116 563753966 /nfs/dbraw/zinc/75/39/66/563753966.db2.gz ANZXYRNBUNRXDJ-MRXNPFEDSA-N 0 3 305.466 4.518 50 0 DJAAHN CCc1ccc([C@H](C)N[C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000083823618 563812339 /nfs/dbraw/zinc/81/23/39/563812339.db2.gz QWYMQABRNFIAJB-DLBZAZTESA-N 0 3 319.452 4.847 50 0 DJAAHN CCCC[C@@]1(O)C[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1 ZINC000239165145 563879506 /nfs/dbraw/zinc/87/95/06/563879506.db2.gz NOGGZZYZLNOAKR-KOUNCHBCSA-N 0 3 323.480 5.116 50 0 DJAAHN Cc1cccc(C)c1NC(=O)CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000006929287 563899803 /nfs/dbraw/zinc/89/98/03/563899803.db2.gz SXYGVUVSBXIGJD-QGZVFWFLSA-N 0 3 324.468 4.716 50 0 DJAAHN CCc1nc(C)c([C@@H](C)N(C)Cc2cc(C)ccc2C)s1 ZINC000170639769 563913892 /nfs/dbraw/zinc/91/38/92/563913892.db2.gz LIIDMLYBIIMQRY-OAHLLOKOSA-N 0 3 302.487 4.824 50 0 DJAAHN N=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000094992639 563930886 /nfs/dbraw/zinc/93/08/86/563930886.db2.gz KHVAUUODGWHPEM-UHFFFAOYSA-N 0 3 320.367 4.842 50 0 DJAAHN C[C@H](NCc1ccc(Oc2ccccc2)cc1)c1ccncc1 ZINC000095955767 563932425 /nfs/dbraw/zinc/93/24/25/563932425.db2.gz BKPOYFSFCZRCDF-INIZCTEOSA-N 0 3 304.393 4.725 50 0 DJAAHN c1ccc([C@H](NC[C@H]2C[C@H]2c2ccccc2)c2ccncc2)cc1 ZINC000095981658 563933945 /nfs/dbraw/zinc/93/39/45/563933945.db2.gz IKMIORSJIUAYGD-FSSWDIPSSA-N 0 3 314.432 4.564 50 0 DJAAHN Cc1ccc(OCCCCN2CCc3ccccc3C2)c(C)c1 ZINC000002838891 563940895 /nfs/dbraw/zinc/94/08/95/563940895.db2.gz SEMBABNNFURFAZ-UHFFFAOYSA-N 0 3 309.453 4.521 50 0 DJAAHN c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CN2CCC1CC2 ZINC000001567421 568412262 /nfs/dbraw/zinc/41/22/62/568412262.db2.gz HOKDBMAJZXIPGC-INIZCTEOSA-N 0 3 322.477 4.631 50 0 world DJAAHN Cc1nc2sccn2c1[C@H](C)NCc1ccc(C(C)C)cc1 ZINC000095466862 185372063 /nfs/dbraw/zinc/37/20/63/185372063.db2.gz CGUTYTRUJRYWGW-ZDUSSCGKSA-N 0 3 313.470 4.678 50 0 DJAAHN FC(F)(F)c1cccc([C@@H](NCc2ccccc2)C2CC2)c1 ZINC000095455547 185370094 /nfs/dbraw/zinc/37/00/94/185370094.db2.gz 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Cc1cccc(C(C)(C)NCc2ccc(-c3cccnc3)o2)c1 ZINC000076764230 563960741 /nfs/dbraw/zinc/96/07/41/563960741.db2.gz FOTOACQDNROJHF-UHFFFAOYSA-N 0 3 306.409 4.675 50 0 DJAAHN CCCCN(Cc1ccccc1)Cc1cc(OC)ccc1OC ZINC000002893773 568414279 /nfs/dbraw/zinc/41/42/79/568414279.db2.gz FNOCSTRDWWMKHP-UHFFFAOYSA-N 0 3 313.441 4.506 50 0 DJAAHN CN1CCC[C@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000003683833 568417379 /nfs/dbraw/zinc/41/73/79/568417379.db2.gz CBHCDHNUZWWAPP-HNNXBMFYSA-N 0 3 310.466 4.631 50 0 biogenic,in-man DJAAHN