smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CNC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000021905936 202074220 /nfs/dbraw/zinc/07/42/20/202074220.db2.gz UDKSZBGSKKHDCO-SFHVURJKSA-N 0 3 336.479 4.206 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000030751116 202198269 /nfs/dbraw/zinc/19/82/69/202198269.db2.gz YHDHFDLYXRHSKT-UHFFFAOYSA-N 0 3 348.490 4.117 40 0 EIABHN C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 ZINC000004098786 201055439 /nfs/dbraw/zinc/05/54/39/201055439.db2.gz FMPNFDSPHNUFOS-YKCJDCANSA-N 0 3 345.527 4.419 40 0 in-vitro EIABHN Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2Cc2ccccc2)n1 ZINC000072376751 203209676 /nfs/dbraw/zinc/20/96/76/203209676.db2.gz IHRLAUPZUQJSGR-HXUWFJFHSA-N 0 3 344.462 4.453 40 0 EIABHN Clc1ccccc1CN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369817 203209762 /nfs/dbraw/zinc/20/97/62/203209762.db2.gz OZXOTQMGYZXBPC-MRXNPFEDSA-N 0 3 339.826 4.380 40 0 EIABHN Cc1ccsc1CN1CCC[C@H]1c1cccc(-n2ccnc2C)n1 ZINC000072355473 203204793 /nfs/dbraw/zinc/20/47/93/203204793.db2.gz SESCTURNPVEFMW-KRWDZBQOSA-N 0 3 338.480 4.283 40 0 EIABHN CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072359235 203204809 /nfs/dbraw/zinc/20/48/09/203204809.db2.gz VOXYOIKNUCFHLE-SFHVURJKSA-N 0 3 347.466 4.123 40 0 EIABHN Cc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358570 203205350 /nfs/dbraw/zinc/20/53/50/203205350.db2.gz LTTYUSJKJMFKDN-FQEVSTJZSA-N 0 3 344.462 4.227 40 0 EIABHN Fc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2ccccn2)C1 ZINC000072358612 203205403 /nfs/dbraw/zinc/20/54/03/203205403.db2.gz UMFGJIORRXRAQL-INIZCTEOSA-N 0 3 348.425 4.057 40 0 EIABHN CN(C)CCCn1c(-c2ccccc2)cs/c1=N/c1ccccc1 ZINC000100499159 206244457 /nfs/dbraw/zinc/24/44/57/206244457.db2.gz SKSYBHXULRJCPY-QZQOTICOSA-N 0 3 337.492 4.401 40 0 EIABHN CCCCOc1ccc2[nH]c(C)c(CN3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000004367964 563501466 /nfs/dbraw/zinc/50/14/66/563501466.db2.gz UEZLIJVHRKKPRS-OAHLLOKOSA-N 0 3 342.483 4.247 40 0 EIABHN Cc1cc(N)c2cc(NC(=O)/C=C\c3ccccc3Cl)ccc2n1 ZINC000004769600 563510705 /nfs/dbraw/zinc/51/07/05/563510705.db2.gz MLKVGBZASWPPOU-TWGQIWQCSA-N 0 3 337.810 4.431 40 0 EIABHN Clc1cccc(Cl)c1CNCCCSc1ncccn1 ZINC000004984082 563517367 /nfs/dbraw/zinc/51/73/67/563517367.db2.gz QNERUMMVFZFOBM-UHFFFAOYSA-N 0 3 328.268 4.055 40 0 EIABHN O=C(NCc1ccccc1CN1CCCCC1)c1cc2ccccc2o1 ZINC000007850287 563616644 /nfs/dbraw/zinc/61/66/44/563616644.db2.gz HVPCVLGFJLRCSZ-UHFFFAOYSA-N 0 3 348.446 4.349 40 0 EIABHN C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008497921 563631598 /nfs/dbraw/zinc/63/15/98/563631598.db2.gz YUJYJMOZWOFBAR-LBPRGKRZSA-N 0 3 340.250 4.043 40 0 EIABHN C[C@@H](O)CNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008535108 563631868 /nfs/dbraw/zinc/63/18/68/563631868.db2.gz VKAXJGOCJWWCEA-GFCCVEGCSA-N 0 3 340.250 4.043 40 0 EIABHN C=Cc1ccc(CN2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119084 563653929 /nfs/dbraw/zinc/65/39/29/563653929.db2.gz XZUGLSUENHORLW-SFHVURJKSA-N 0 3 334.419 4.075 40 0 EIABHN Cc1cc2c(cc1C)OC1(C=C2)CCN(C[C@H](O)c2ccccc2)CC1 ZINC000012187996 563655447 /nfs/dbraw/zinc/65/54/47/563655447.db2.gz JTEUEPDPZVLPDL-NRFANRHFSA-N 0 3 349.474 4.277 40 0 EIABHN COc1ccc2cnc(C3CCN(Cc4cccnc4)CC3)cc2c1C ZINC000012222769 563656112 /nfs/dbraw/zinc/65/61/12/563656112.db2.gz QAYVEIGQFLECFH-UHFFFAOYSA-N 0 3 347.462 4.326 40 0 EIABHN Cc1ccccc1CN1CCC(c2nnc(-c3cccs3)o2)CC1 ZINC000019237173 563855593 /nfs/dbraw/zinc/85/55/93/563855593.db2.gz GBLGDLXLTPCFKV-UHFFFAOYSA-N 0 3 339.464 4.486 40 0 EIABHN Cc1ccccc1CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038773190 563922071 /nfs/dbraw/zinc/92/20/71/563922071.db2.gz DVHGRIILFUBPFC-UHFFFAOYSA-N 0 3 336.479 4.157 40 0 EIABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038833352 563922205 /nfs/dbraw/zinc/92/22/05/563922205.db2.gz MWZYVEUBAVFOCE-SFHVURJKSA-N 0 3 340.442 4.293 40 0 EIABHN c1csc(CN2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)c1 ZINC000096047845 563978332 /nfs/dbraw/zinc/97/83/32/563978332.db2.gz ANXCOKLRNVCGLH-SFHVURJKSA-N 0 3 343.492 4.088 40 0 EIABHN CN(C)C(=O)CC1CCC2(CC1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096049273 563978438 /nfs/dbraw/zinc/97/84/38/563978438.db2.gz KYRMAPXQTRTGMK-UHFFFAOYSA-N 0 3 346.490 4.076 40 0 EIABHN Fc1cccc(CN2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c1 ZINC000096073456 563979077 /nfs/dbraw/zinc/97/90/77/563979077.db2.gz ARIKQSHOUPLRAL-CTNGQTDRSA-N 0 3 325.427 4.364 40 0 EIABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 ZINC000072214543 563984815 /nfs/dbraw/zinc/98/48/15/563984815.db2.gz DGGPQGNLJWAWQK-INIZCTEOSA-N 0 3 333.476 4.246 40 0 EIABHN COc1cc(CNC2CC2)ccc1OCc1c(F)cccc1Cl ZINC000008471315 564016166 /nfs/dbraw/zinc/01/61/66/564016166.db2.gz DZDZMZJZDOKNDJ-UHFFFAOYSA-N 0 3 335.806 4.319 40 0 EIABHN COc1ccc([C@@H]2CC(N)=NN2c2ccc(Cl)cc2Cl)cc1 ZINC000222547489 564036920 /nfs/dbraw/zinc/03/69/20/564036920.db2.gz GKOGTZXPAJJIHA-HNNXBMFYSA-N 0 3 336.222 4.226 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000009062611 564127639 /nfs/dbraw/zinc/12/76/39/564127639.db2.gz SFHARBOLPGHBDF-UHFFFAOYSA-N 0 3 348.490 4.186 40 0 EIABHN CCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@H]2CC[C@@H](C1)N2C ZINC000003147394 564155500 /nfs/dbraw/zinc/15/55/00/564155500.db2.gz GNYZYYFKNNJUQR-MOPGFXCFSA-N 0 3 326.484 4.296 40 0 EIABHN Fc1ccc([C@@H]2COC[C@H]2NCc2ccccc2C(F)(F)F)cc1 ZINC000019349566 202005594 /nfs/dbraw/zinc/00/55/94/202005594.db2.gz VFCWPRZBGHHDKZ-DOTOQJQBSA-N 0 3 339.332 4.117 40 0 EIABHN CC[C@H]1c2ccsc2CCN1Cc1cccc(OCCOC)c1 ZINC000019501001 202009134 /nfs/dbraw/zinc/00/91/34/202009134.db2.gz MJHDXHCGSGLKMX-SFHVURJKSA-N 0 3 331.481 4.283 40 0 EIABHN Cc1ccc(CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000020460614 202044108 /nfs/dbraw/zinc/04/41/08/202044108.db2.gz SZXKBBMLJRYEIP-UHFFFAOYSA-N 0 3 336.479 4.253 40 0 EIABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000030754130 202197870 /nfs/dbraw/zinc/19/78/70/202197870.db2.gz LQCSHWQWCBKHIX-SFHVURJKSA-N 0 3 336.479 4.472 40 0 EIABHN COc1ccc([C@@H](O)[C@@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000031961935 202216660 /nfs/dbraw/zinc/21/66/60/202216660.db2.gz ZVOJPKQDEDCIGN-FCHUYYIVSA-N 0 3 333.431 4.260 40 0 EIABHN Cc1cccnc1Nc1cncc([C@H]2CCCN(CC(C)(C)C)C2)n1 ZINC000072354333 203204421 /nfs/dbraw/zinc/20/44/21/203204421.db2.gz AZKPTBOXKZUMTL-INIZCTEOSA-N 0 3 339.487 4.149 40 0 EIABHN Fc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000072358574 203205154 /nfs/dbraw/zinc/20/51/54/203205154.db2.gz CCPRSXXWEDPAIV-KRWDZBQOSA-N 0 3 348.425 4.057 40 0 EIABHN c1cn2ccc([C@@H]3CCCCN3Cc3ccc4ncccc4c3)nc2n1 ZINC000257268225 244366623 /nfs/dbraw/zinc/36/66/23/244366623.db2.gz MKTJJRKGMULBHG-FQEVSTJZSA-N 0 3 343.434 4.005 40 0 EIABHN CN(C)[C@H](CC(=O)C[C@@H](c1cccs1)N(C)C)c1cccs1 ZINC000104830328 204121607 /nfs/dbraw/zinc/12/16/07/204121607.db2.gz UVFYSKQUMURGMT-GASCZTMLSA-N 0 3 336.526 4.065 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000039753683 257854696 /nfs/dbraw/zinc/85/46/96/257854696.db2.gz BNABYFFAUITQSX-UHFFFAOYSA-N 0 3 342.870 4.499 40 0 EIABHN CCN(CC)CCOC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001590172 563395075 /nfs/dbraw/zinc/39/50/75/563395075.db2.gz UGCJISLPJOSPBH-UHFFFAOYSA-N 0 3 338.757 4.249 40 0 EIABHN Cc1ccc(CN(C)C)c(C(O)(c2ccccc2)c2ccccc2)c1 ZINC000004975101 563516693 /nfs/dbraw/zinc/51/66/93/563516693.db2.gz AXVSLCPFYCYOCB-UHFFFAOYSA-N 0 3 331.459 4.341 40 0 EIABHN Clc1ccccc1COc1ccc(CNC[C@H]2CCCO2)cc1 ZINC000016449871 563812062 /nfs/dbraw/zinc/81/20/62/563812062.db2.gz JOZYBTUUABYQNK-GOSISDBHSA-N 0 3 331.843 4.188 40 0 EIABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 ZINC000072214570 563984841 /nfs/dbraw/zinc/98/48/41/563984841.db2.gz ZSOGPCVLWALPEA-INIZCTEOSA-N 0 3 333.476 4.294 40 0 EIABHN CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215337 563985201 /nfs/dbraw/zinc/98/52/01/563985201.db2.gz KIYWEFBRPYUKRE-MRXNPFEDSA-N 0 3 331.460 4.142 40 0 EIABHN CCC(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257322163 564055466 /nfs/dbraw/zinc/05/54/66/564055466.db2.gz WEVBRBBICASEQX-HNNXBMFYSA-N 0 3 341.430 4.389 40 0 EIABHN Fc1cccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1F ZINC000019292730 202002410 /nfs/dbraw/zinc/00/24/10/202002410.db2.gz HTAVIZFGEJCARW-CQSZACIVSA-N 0 3 327.378 4.221 40 0 EIABHN Clc1ccc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344679 202006419 /nfs/dbraw/zinc/00/64/19/202006419.db2.gz BYSSWFVSPHEAGX-ZDUSSCGKSA-N 0 3 345.855 4.441 40 0 EIABHN O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCCCC2)cc1 ZINC000020045465 202030507 /nfs/dbraw/zinc/03/05/07/202030507.db2.gz KLHIBZYBGHEVHT-QFIPXVFZSA-N 0 3 348.490 4.480 40 0 EIABHN CCC(=O)N(c1ccccc1)C1CCN(Cc2cccs2)CC1 ZINC000022066941 202078959 /nfs/dbraw/zinc/07/89/59/202078959.db2.gz JSOSWRYHPGIWGT-UHFFFAOYSA-N 0 3 328.481 4.156 40 0 in-vitro EIABHN CN(C(=O)c1ccc(CN2CCc3ccccc3C2)cc1)C1CCCC1 ZINC000030861042 202200481 /nfs/dbraw/zinc/20/04/81/202200481.db2.gz GTSNYGWEHMZGFX-UHFFFAOYSA-N 0 3 348.490 4.260 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000035818589 202310930 /nfs/dbraw/zinc/31/09/30/202310930.db2.gz WSKFYRUSPKZSRW-UHFFFAOYSA-N 0 3 326.415 4.310 40 0 EIABHN Cc1cnc2[nH]c(C3CC3)c(CN(C)CC[C@H](O)c3ccccc3)c2c1 ZINC000072395250 203212922 /nfs/dbraw/zinc/21/29/22/203212922.db2.gz WTDCBGOJLFAUBQ-FQEVSTJZSA-N 0 3 349.478 4.304 40 0 EIABHN Cc1cnc2[nH]c(C3CC3)c(CN(C)CC[C@@H](O)c3ccccc3)c2c1 ZINC000072395251 203213602 /nfs/dbraw/zinc/21/36/02/203213602.db2.gz WTDCBGOJLFAUBQ-HXUWFJFHSA-N 0 3 349.478 4.304 40 0 EIABHN Cc1ccc2[nH]c([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000049168990 204369066 /nfs/dbraw/zinc/36/90/66/204369066.db2.gz AEOZJUJWEQYZMT-AWEZNQCLSA-N 0 3 327.378 4.139 40 0 biogenic,in-vitro EIABHN Cc1ccc2nc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)[nH]c2c1 ZINC000049168990 204369070 /nfs/dbraw/zinc/36/90/70/204369070.db2.gz AEOZJUJWEQYZMT-AWEZNQCLSA-N 0 3 327.378 4.139 40 0 biogenic,in-vitro EIABHN CN1CCN(c2c3c(nc4ccccc42)[C@]2(C)CC[C@H]3C2(C)C)CC1 ZINC000000214969 563261849 /nfs/dbraw/zinc/26/18/49/563261849.db2.gz GRIFRVOZXAODGO-ZHRRBRCNSA-N 0 3 335.495 4.162 40 0 EIABHN O=C(Nc1sc2c(c1CN1CCCC1)CCCC2)c1ccccc1 ZINC000001465614 563390590 /nfs/dbraw/zinc/39/05/90/563390590.db2.gz WICIDTOLGDNDLH-UHFFFAOYSA-N 0 3 340.492 4.475 40 0 EIABHN CCN(CC)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1 ZINC000001734033 563408264 /nfs/dbraw/zinc/40/82/64/563408264.db2.gz ZASSLOPXOOJHFR-UHFFFAOYSA-N 0 3 345.870 4.054 40 0 EIABHN CCCCOc1ccc2[nH]c(C)c(CN3CCCC[C@@H]3C)c(=O)c2c1 ZINC000004367976 563501479 /nfs/dbraw/zinc/50/14/79/563501479.db2.gz NRCFHJWSSITGIB-HNNXBMFYSA-N 0 3 342.483 4.390 40 0 EIABHN O[C@H]1c2c(ccc3ccccc32)CC[C@H]1[C@H]1NCCc2ccccc21 ZINC000004913972 563515497 /nfs/dbraw/zinc/51/54/97/563515497.db2.gz NXHJGRJQTMOMRC-ACIOBRDBSA-N 0 3 329.443 4.323 40 0 EIABHN CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008377351 563628274 /nfs/dbraw/zinc/62/82/74/563628274.db2.gz VXCXCHWUQYTEBO-UHFFFAOYSA-N 0 3 340.648 4.401 40 0 EIABHN O=C(Nc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000012284621 563657212 /nfs/dbraw/zinc/65/72/12/563657212.db2.gz ARDWJMAHNFRPJJ-INIZCTEOSA-N 0 3 328.843 4.191 40 0 EIABHN Clc1ccccc1COc1ccc(CNC[C@@H]2CCCO2)cc1 ZINC000016449869 563811974 /nfs/dbraw/zinc/81/19/74/563811974.db2.gz JOZYBTUUABYQNK-SFHVURJKSA-N 0 3 331.843 4.188 40 0 EIABHN CCc1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039752776 563900712 /nfs/dbraw/zinc/90/07/12/563900712.db2.gz MQAMMVXWYZUFHY-UHFFFAOYSA-N 0 3 336.479 4.408 40 0 EIABHN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000038833224 563922163 /nfs/dbraw/zinc/92/21/63/563922163.db2.gz WXSHICATMWZEPL-KRWDZBQOSA-N 0 3 342.870 4.499 40 0 EIABHN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833829 563922199 /nfs/dbraw/zinc/92/21/99/563922199.db2.gz BZAWMIGEMMJFQE-OAHLLOKOSA-N 0 3 346.833 4.330 40 0 EIABHN Cc1ccc(CN2CCC[C@]3(CCN(Cc4ccsc4)C3)C2)o1 ZINC000096046935 563978058 /nfs/dbraw/zinc/97/80/58/563978058.db2.gz PZQPKGSIKJNPQD-IBGZPJMESA-N 0 3 330.497 4.138 40 0 EIABHN Fc1ccc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cc1 ZINC000096061590 563978941 /nfs/dbraw/zinc/97/89/41/563978941.db2.gz INXLQNBGBSRBNY-FCHUYYIVSA-N 0 3 339.454 4.438 40 0 EIABHN Fc1cccc(CN2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c1 ZINC000096073455 563979052 /nfs/dbraw/zinc/97/90/52/563979052.db2.gz ARIKQSHOUPLRAL-PZJWPPBQSA-N 0 3 325.427 4.364 40 0 EIABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 ZINC000072214670 563984831 /nfs/dbraw/zinc/98/48/31/563984831.db2.gz ZZRUGDURCJIHPO-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214849 563984960 /nfs/dbraw/zinc/98/49/60/563984960.db2.gz MNBIYXQAFKTPJI-MRXNPFEDSA-N 0 3 333.476 4.388 40 0 EIABHN COc1cc2cc(C)c(SCCN3CCCCC3)nc2cc1OC ZINC000004858650 564005431 /nfs/dbraw/zinc/00/54/31/564005431.db2.gz JXENVJZYBKFRGP-UHFFFAOYSA-N 0 3 346.496 4.138 40 0 EIABHN COCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008469027 564016374 /nfs/dbraw/zinc/01/63/74/564016374.db2.gz DVDTVTUNDSQCJA-UHFFFAOYSA-N 0 3 339.410 4.294 40 0 EIABHN CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224552594 564043096 /nfs/dbraw/zinc/04/30/96/564043096.db2.gz UKDKQOPFYNEZMU-QGZVFWFLSA-N 0 3 348.506 4.370 40 0 EIABHN c1csc(-c2ccc3nc([C@H]4CCCN(CC5CC5)C4)nn3c2)c1 ZINC000306142911 564062378 /nfs/dbraw/zinc/06/23/78/564062378.db2.gz XOBHPHIINAUCTR-INIZCTEOSA-N 0 3 338.480 4.047 40 0 EIABHN Cc1nc(NC2CCCC2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329063356 564072055 /nfs/dbraw/zinc/07/20/55/564072055.db2.gz XDDPPEFEVNKQPN-UHFFFAOYSA-N 0 3 336.483 4.437 40 0 EIABHN CN1CC[C@@H](C(=O)c2ccccn2)[C@@H](CCc2cccc(Cl)c2)C1 ZINC000584577184 564086127 /nfs/dbraw/zinc/08/61/27/564086127.db2.gz BAPXIHGKPWBXOG-FUHWJXTLSA-N 0 3 342.870 4.118 40 0 EIABHN Cc1ccc(C)c([C@H](O)CN2CCC(Oc3ccccc3F)CC2)c1 ZINC000019132009 201999438 /nfs/dbraw/zinc/99/94/38/201999438.db2.gz VVGFVOYDWHHXLU-HXUWFJFHSA-N 0 3 343.442 4.019 40 0 EIABHN Cc1ccsc1-c1nnc(C2CCN(Cc3ccccc3)CC2)o1 ZINC000019238729 202000665 /nfs/dbraw/zinc/00/06/65/202000665.db2.gz TWRPZVQVRTUKIB-UHFFFAOYSA-N 0 3 339.464 4.486 40 0 EIABHN Cn1nc([C@@H]2CCCN(Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019289497 202002341 /nfs/dbraw/zinc/00/23/41/202002341.db2.gz JLZUWBNJRWTKLQ-OAHLLOKOSA-N 0 3 340.858 4.001 40 0 EIABHN c1csc(-c2nnc(C3CCN(Cc4ccsc4)CC3)o2)c1 ZINC000019344876 202006052 /nfs/dbraw/zinc/00/60/52/202006052.db2.gz NJCIZJGJYQJHDM-UHFFFAOYSA-N 0 3 331.466 4.239 40 0 EIABHN Cc1c2ccccc2[nH]c1CN1CCC(COc2ccccn2)CC1 ZINC000019565895 202012228 /nfs/dbraw/zinc/01/22/28/202012228.db2.gz WRZNGWUCMWGATI-UHFFFAOYSA-N 0 3 335.451 4.162 40 0 EIABHN Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220937 202166840 /nfs/dbraw/zinc/16/68/40/202166840.db2.gz DBORCEXPXAUADP-QGZVFWFLSA-N 0 3 342.870 4.499 40 0 EIABHN COCc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000029146765 202181576 /nfs/dbraw/zinc/18/15/76/202181576.db2.gz ZTZHYOVBKUPVDT-UHFFFAOYSA-N 0 3 338.451 4.071 40 0 EIABHN c1cnc2[nH]c([C@H]3CCCO3)c(CN3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC000036741432 202330590 /nfs/dbraw/zinc/33/05/90/202330590.db2.gz CGLBQXCRGUSAEM-GPMSIDNRSA-N 0 3 339.483 4.427 40 0 EIABHN CCOc1cc(CNCCOC)ccc1OCc1ccc(Cl)cc1 ZINC000008254530 201362951 /nfs/dbraw/zinc/36/29/51/201362951.db2.gz IJWCZZNTUJZKHU-UHFFFAOYSA-N 0 3 349.858 4.054 40 0 EIABHN Cc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358607 203204525 /nfs/dbraw/zinc/20/45/25/203204525.db2.gz MRRDXKDFGKASBF-LJQANCHMSA-N 0 3 344.462 4.227 40 0 EIABHN Fc1ccc(CN2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)cc1 ZINC000096221815 203874013 /nfs/dbraw/zinc/87/40/13/203874013.db2.gz NGPURGYCPNXKFF-HXUWFJFHSA-N 0 3 341.426 4.028 40 0 EIABHN COc1ccccc1C1(NCc2cc3c(cc2C)OCO3)CCCC1 ZINC000012328263 563658071 /nfs/dbraw/zinc/65/80/71/563658071.db2.gz IFXRBDAJIVLBND-UHFFFAOYSA-N 0 3 339.435 4.291 40 0 EIABHN Fc1cccc(CN2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c1 ZINC000096073454 563979066 /nfs/dbraw/zinc/97/90/66/563979066.db2.gz ARIKQSHOUPLRAL-TZIWHRDSSA-N 0 3 325.427 4.364 40 0 EIABHN CCCCN1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214444 563984785 /nfs/dbraw/zinc/98/47/85/563984785.db2.gz YXDAZUMCOLEERM-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072214873 563984984 /nfs/dbraw/zinc/98/49/84/563984984.db2.gz GAOZPRPCRNBWMK-MRXNPFEDSA-N 0 3 333.476 4.388 40 0 EIABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2)cn1)C1CCC1 ZINC000072215455 563985264 /nfs/dbraw/zinc/98/52/64/563985264.db2.gz XXFRSTNHZYEXGB-MRXNPFEDSA-N 0 3 331.460 4.190 40 0 EIABHN CC1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000408872900 564007768 /nfs/dbraw/zinc/00/77/68/564007768.db2.gz KWAOPZNIBILGEO-UHFFFAOYSA-N 0 3 348.490 4.117 40 0 EIABHN COCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008469233 564016357 /nfs/dbraw/zinc/01/63/57/564016357.db2.gz HOLAXOJLTCHKJQ-UHFFFAOYSA-N 0 3 340.250 4.308 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000009062991 564016577 /nfs/dbraw/zinc/01/65/77/564016577.db2.gz VZVGLQUDNWWETI-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)c1 ZINC000009062992 564016580 /nfs/dbraw/zinc/01/65/80/564016580.db2.gz JAKMEBBZFMQSJZ-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000009063095 564127637 /nfs/dbraw/zinc/12/76/37/564127637.db2.gz FITHMYCUCRIAOT-UHFFFAOYSA-N 0 3 342.870 4.499 40 0 EIABHN CC(C)(C)c1ccc(-c2nc([C@@H](N)c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095534025 564141687 /nfs/dbraw/zinc/14/16/87/564141687.db2.gz QTILLFKUDOOBBW-INIZCTEOSA-N 0 3 340.858 4.471 40 0 EIABHN COc1ccccc1CNCCc1cc(OC)c(C(C)C)cc1OC ZINC000299817184 564150845 /nfs/dbraw/zinc/15/08/45/564150845.db2.gz KMZZEEDFQLXSQF-UHFFFAOYSA-N 0 3 343.467 4.168 40 0 in-vitro EIABHN Cc1nc([C@H]2CCCN(Cc3cccc(F)c3F)C2)c2ccccn12 ZINC000019240678 202001277 /nfs/dbraw/zinc/00/12/77/202001277.db2.gz ZRNAUBCUAUPYAZ-INIZCTEOSA-N 0 3 341.405 4.301 40 0 EIABHN CN(C)CCN(Cc1cccnc1)CC(C)(C)c1ccc(Cl)cc1 ZINC000022862028 202093551 /nfs/dbraw/zinc/09/35/51/202093551.db2.gz GKWPRYXHMJRCER-UHFFFAOYSA-N 0 3 345.918 4.076 40 0 EIABHN COc1ccc([C@H](O)[C@@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000031961938 202216799 /nfs/dbraw/zinc/21/67/99/202216799.db2.gz ZVOJPKQDEDCIGN-VXKWHMMOSA-N 0 3 333.431 4.260 40 0 EIABHN CN(C)CCN(Cc1cccs1)Cc1c(F)cccc1Cl ZINC000023247841 212363352 /nfs/dbraw/zinc/36/33/52/212363352.db2.gz VNNRYMDMYYOSCX-UHFFFAOYSA-N 0 3 326.868 4.104 40 0 EIABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2Cl)CC1 ZINC000255187714 534905890 /nfs/dbraw/zinc/90/58/90/534905890.db2.gz GJARMCQNWKHIMO-SHTZXODSSA-N 0 3 338.879 4.266 40 0 EIABHN CCC(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257211653 535301569 /nfs/dbraw/zinc/30/15/69/535301569.db2.gz BZSQTJRWUOYMTO-OAHLLOKOSA-N 0 3 341.430 4.389 40 0 EIABHN CCc1cc(CC)c(CC)c(C(=O)OCCN(CC)CC)c1CC ZINC000001646513 563399300 /nfs/dbraw/zinc/39/93/00/563399300.db2.gz HDCHIMYXKIZTCQ-UHFFFAOYSA-N 0 3 333.516 4.435 40 0 EIABHN CC1(C)CCN(CCOC(=O)[C@H](c2ccccc2)[C@H]2C=CCCC2)C1 ZINC000001680707 563402650 /nfs/dbraw/zinc/40/26/50/563402650.db2.gz FVTFMKWTHZZTJA-VQTJNVASSA-N 0 3 341.495 4.402 40 0 EIABHN CC[C@H](C)c1ccccc1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000006356058 563565949 /nfs/dbraw/zinc/56/59/49/563565949.db2.gz YSBWPYOHMLOJIM-JENIJYKNSA-N 0 3 327.468 4.291 40 0 EIABHN C[C@H](O)CNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008498067 563631663 /nfs/dbraw/zinc/63/16/63/563631663.db2.gz VKAXJGOCJWWCEA-LBPRGKRZSA-N 0 3 340.250 4.043 40 0 EIABHN COc1ccccc1CN(CCCn1ccnc1)Cc1cccs1 ZINC000012146991 563654617 /nfs/dbraw/zinc/65/46/17/563654617.db2.gz XQENCSZVYRIFLI-UHFFFAOYSA-N 0 3 341.480 4.046 40 0 EIABHN COc1ccccc1/C=C/CN1CCC(O)(c2cccc(C)c2)CC1 ZINC000012328898 563658084 /nfs/dbraw/zinc/65/80/84/563658084.db2.gz UNFIEZWYVFFOJG-RMKNXTFCSA-N 0 3 337.463 4.000 40 0 EIABHN Cc1ccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000019210212 563854822 /nfs/dbraw/zinc/85/48/22/563854822.db2.gz YDWFUAAXHVZDOB-UHFFFAOYSA-N 0 3 339.464 4.486 40 0 EIABHN Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039772414 563900441 /nfs/dbraw/zinc/90/04/41/563900441.db2.gz OABDAVLVNWHNDQ-UHFFFAOYSA-N 0 3 342.870 4.499 40 0 EIABHN CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833659 563922160 /nfs/dbraw/zinc/92/21/60/563922160.db2.gz ZQUAHHRAKCPHJT-SFHVURJKSA-N 0 3 340.442 4.239 40 0 EIABHN O=C(NC1CCCCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038832545 563922178 /nfs/dbraw/zinc/92/21/78/563922178.db2.gz IMBGNGGONMQNRO-INIZCTEOSA-N 0 3 334.891 4.001 40 0 EIABHN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000038833540 563922188 /nfs/dbraw/zinc/92/21/88/563922188.db2.gz GNKJQNLOIZJVQN-GOSISDBHSA-N 0 3 340.442 4.293 40 0 EIABHN c1csc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)c1 ZINC000096057045 563978679 /nfs/dbraw/zinc/97/86/79/563978679.db2.gz MLZRAKKTHLMVRT-WOJBJXKFSA-N 0 3 349.540 4.326 40 0 EIABHN CCCN1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214517 563984782 /nfs/dbraw/zinc/98/47/82/563984782.db2.gz YNYNIHKBVMZYOX-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215314 563985191 /nfs/dbraw/zinc/98/51/91/563985191.db2.gz MCCSQPBHWPWHCQ-INIZCTEOSA-N 0 3 331.460 4.142 40 0 EIABHN CNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008377340 564016186 /nfs/dbraw/zinc/01/61/86/564016186.db2.gz DFGKVPMHENCBSC-UHFFFAOYSA-N 0 3 326.223 4.300 40 0 EIABHN COc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008470230 564016341 /nfs/dbraw/zinc/01/63/41/564016341.db2.gz HQCBCIJNFHNZJA-UHFFFAOYSA-N 0 3 335.806 4.319 40 0 EIABHN CCc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063560 564016597 /nfs/dbraw/zinc/01/65/97/564016597.db2.gz RONNENTZPQBMKI-UHFFFAOYSA-N 0 3 340.442 4.239 40 0 EIABHN c1ccc(COc2cccc(CNCc3ccc4c(c3)OCO4)c2)cc1 ZINC000016480724 564024633 /nfs/dbraw/zinc/02/46/33/564024633.db2.gz RZHKOVKQSQTPPP-UHFFFAOYSA-N 0 3 347.414 4.284 40 0 EIABHN CC(C)Cc1ncc(-c2cncc([C@H]3CCCN3C(C)C)n2)s1 ZINC000257326791 564055484 /nfs/dbraw/zinc/05/54/84/564055484.db2.gz WYOUNYXSVUFWAW-MRXNPFEDSA-N 0 3 330.501 4.344 40 0 EIABHN Cc1nc(NC2CCCC2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329057793 564072030 /nfs/dbraw/zinc/07/20/30/564072030.db2.gz VZJDGMLTDHLTRS-UHFFFAOYSA-N 0 3 336.483 4.481 40 0 EIABHN c1cnc2[nH]c([C@H]3CCCO3)c(CN3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC000253590102 564124693 /nfs/dbraw/zinc/12/46/93/564124693.db2.gz CGLBQXCRGUSAEM-JTDSTZFVSA-N 0 3 339.483 4.427 40 0 EIABHN Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010334826 564127771 /nfs/dbraw/zinc/12/77/71/564127771.db2.gz IRAANZTZJRKMEK-UHFFFAOYSA-N 0 3 328.843 4.497 40 0 EIABHN CC[C@@]1(C)C[C@]2(CCCN(CCC(=O)c3ccccc3)C2)CCO1 ZINC000003147627 564155510 /nfs/dbraw/zinc/15/55/10/564155510.db2.gz HPAWIRFVASVWBY-SFTDATJTSA-N 0 3 329.484 4.321 40 0 EIABHN CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008227216 201741254 /nfs/dbraw/zinc/74/12/54/201741254.db2.gz LVXWUKWNSUIPMW-UHFFFAOYSA-N 0 3 338.220 4.277 40 0 EIABHN Cc1nc([C@@H]2CCCN(Cc3cccc(F)c3F)C2)c2ccccn12 ZINC000019240677 202000599 /nfs/dbraw/zinc/00/05/99/202000599.db2.gz ZRNAUBCUAUPYAZ-MRXNPFEDSA-N 0 3 341.405 4.301 40 0 EIABHN Cc1ccc(-c2nnc(C3CCN(Cc4ccccc4)CC3)o2)s1 ZINC000019217857 202001325 /nfs/dbraw/zinc/00/13/25/202001325.db2.gz JQTFKWWMVKNZAT-UHFFFAOYSA-N 0 3 339.464 4.486 40 0 EIABHN Fc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(F)c1 ZINC000019346911 202005486 /nfs/dbraw/zinc/00/54/86/202005486.db2.gz NOVHKYBVAYAPJJ-OAHLLOKOSA-N 0 3 327.378 4.221 40 0 EIABHN CCc1ncc(CN2CCCC[C@H]2CCc2ccc(OC)cc2)cn1 ZINC000019523414 202010532 /nfs/dbraw/zinc/01/05/32/202010532.db2.gz JEFFJOLBPXDYTG-IBGZPJMESA-N 0 3 339.483 4.035 40 0 EIABHN CN(Cc1c2ncccc2[nH]c1C1CCOCC1)Cc1ccccc1 ZINC000019586531 202013027 /nfs/dbraw/zinc/01/30/27/202013027.db2.gz ANZQHVKPTFIQSS-UHFFFAOYSA-N 0 3 335.451 4.089 40 0 EIABHN C[C@H](CNC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000021905938 202074392 /nfs/dbraw/zinc/07/43/92/202074392.db2.gz UDKSZBGSKKHDCO-GOSISDBHSA-N 0 3 336.479 4.206 40 0 EIABHN c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC000036741429 202330530 /nfs/dbraw/zinc/33/05/30/202330530.db2.gz CGLBQXCRGUSAEM-MDZRGWNJSA-N 0 3 339.483 4.427 40 0 EIABHN CC1CCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000020806389 212173271 /nfs/dbraw/zinc/17/32/71/212173271.db2.gz YCNCDZXLEPMBSO-FQEVSTJZSA-N 0 3 331.500 4.206 40 0 EIABHN Cc1sc2c([C@H]3CCCN(Cc4ccncc4)C3)nc(C)n2c1C ZINC000072351264 203204589 /nfs/dbraw/zinc/20/45/89/203204589.db2.gz LXFSKTLRTUXYRA-KRWDZBQOSA-N 0 3 340.496 4.096 40 0 EIABHN Fc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000072358573 203205209 /nfs/dbraw/zinc/20/52/09/203205209.db2.gz CCPRSXXWEDPAIV-QGZVFWFLSA-N 0 3 348.425 4.057 40 0 EIABHN CCC(CC)C(=O)NCC1CCC([C@@H](c2ccccn2)N(C)C)CC1 ZINC000072391150 203214243 /nfs/dbraw/zinc/21/42/43/203214243.db2.gz DYZXLXGSKPFXQX-NLPFYKDJSA-N 0 3 345.531 4.043 40 0 EIABHN CN(C)[C@@H](CC(=O)C[C@@H](c1cccs1)N(C)C)c1cccs1 ZINC000104830327 204121450 /nfs/dbraw/zinc/12/14/50/204121450.db2.gz UVFYSKQUMURGMT-GJZGRUSLSA-N 0 3 336.526 4.065 40 0 EIABHN CCN1CCN(c2ccc(Nc3ccnc4ccccc43)cc2)CC1 ZINC000000034183 521700148 /nfs/dbraw/zinc/70/01/48/521700148.db2.gz OFUMMVWXZVSCDV-UHFFFAOYSA-N 0 3 332.451 4.120 40 0 EIABHN CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccccc1 ZINC000002513012 563435172 /nfs/dbraw/zinc/43/51/72/563435172.db2.gz RASOJUVCWQVRHT-HXUWFJFHSA-N 0 3 338.451 4.092 40 0 EIABHN CCc1ccc(C2=C(C)SN=C(NC3=NCCCCC3)N2)cc1 ZINC000005667384 563544476 /nfs/dbraw/zinc/54/44/76/563544476.db2.gz YEGJAKDAGDHRLP-UHFFFAOYSA-N 0 3 328.485 4.107 40 0 EIABHN Fc1cccc(CN2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c1 ZINC000096073457 563979071 /nfs/dbraw/zinc/97/90/71/563979071.db2.gz ARIKQSHOUPLRAL-FPOVZHCZSA-N 0 3 325.427 4.364 40 0 EIABHN Fc1ccc(CN2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)cc1 ZINC000096221818 563980486 /nfs/dbraw/zinc/98/04/86/563980486.db2.gz NGPURGYCPNXKFF-FQEVSTJZSA-N 0 3 341.426 4.028 40 0 EIABHN CCCN1CCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214619 563984825 /nfs/dbraw/zinc/98/48/25/563984825.db2.gz NHTHFPWXQVJZIU-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CCc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000009063006 564016543 /nfs/dbraw/zinc/01/65/43/564016543.db2.gz 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CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 ZINC000072215087 563985048 /nfs/dbraw/zinc/98/50/48/563985048.db2.gz CLQMIJQJGWZDMN-ZBFHGGJFSA-N 0 3 333.476 4.388 40 0 EIABHN Cc1ccsc1CN(CCCO)Cc1ccc(C(F)(F)F)cc1 ZINC000013997338 564020854 /nfs/dbraw/zinc/02/08/54/564020854.db2.gz SQEBDSCRZBNMNQ-UHFFFAOYSA-N 0 3 343.414 4.460 40 0 EIABHN Cc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224807850 564043766 /nfs/dbraw/zinc/04/37/66/564043766.db2.gz FEMNUMWZTKKBPL-BUHFOSPRSA-N 0 3 348.490 4.311 40 0 EIABHN CC[C@H](C)c1ccccc1OC[C@@H](O)CN[C@H](C)c1ccccc1 ZINC000245318990 564052404 /nfs/dbraw/zinc/05/24/04/564052404.db2.gz YSBWPYOHMLOJIM-SCTDSRPQSA-N 0 3 327.468 4.291 40 0 EIABHN Cc1ncc(-c2cc([C@H]3CCCN3Cc3ccccc3)ccn2)n1C ZINC000257306759 564055128 /nfs/dbraw/zinc/05/51/28/564055128.db2.gz SVSOHKBQDHGNRY-HXUWFJFHSA-N 0 3 332.451 4.128 40 0 EIABHN COc1ccccc1CN1CC[C@H](c2nc(-c3ccccc3C)no2)C1 ZINC000257329000 564055544 /nfs/dbraw/zinc/05/55/44/564055544.db2.gz XHYVPOFZRZOPQE-KRWDZBQOSA-N 0 3 349.434 4.043 40 0 EIABHN Cc1nc(NC2CCCCC2)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329066086 564072044 /nfs/dbraw/zinc/07/20/44/564072044.db2.gz XXBWXLXVYDCUER-HNNXBMFYSA-N 0 3 336.483 4.481 40 0 EIABHN C[C@@H](CN1CCC[C@@H](n2c3ccccc3oc2=O)C1)c1ccccc1 ZINC000012119143 564127846 /nfs/dbraw/zinc/12/78/46/564127846.db2.gz QZBANVDLACHLEC-FUHWJXTLSA-N 0 3 336.435 4.035 40 0 EIABHN C[C@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004411196 210189335 /nfs/dbraw/zinc/18/93/35/210189335.db2.gz MUFKSDGEJXMZSW-IHPCNDPISA-N 0 3 327.468 4.154 40 0 EIABHN CN(C)Cc1ccccc1CC(O)(c1ccccc1)c1ccccc1 ZINC000001713602 209784432 /nfs/dbraw/zinc/78/44/32/209784432.db2.gz GXLFQSPMZHGYGQ-UHFFFAOYSA-N 0 3 331.459 4.227 40 0 EIABHN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833476 213228524 /nfs/dbraw/zinc/22/85/24/213228524.db2.gz UGJVWXBCLOIOCB-SFHVURJKSA-N 0 3 340.442 4.293 40 0 EIABHN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1C ZINC000038835197 213227687 /nfs/dbraw/zinc/22/76/87/213227687.db2.gz 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/nfs/dbraw/zinc/37/01/26/211370126.db2.gz FOCZHKSDORYTGF-UHFFFAOYSA-N 0 3 343.492 4.064 40 0 EIABHN Cc1ccc(C)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000009063558 257862370 /nfs/dbraw/zinc/86/23/70/257862370.db2.gz NZUWGPAKXLSOES-UHFFFAOYSA-N 0 3 340.442 4.293 40 0 EIABHN CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OC ZINC000007538539 563605183 /nfs/dbraw/zinc/60/51/83/563605183.db2.gz WCQRBPSSOHSUJE-UHFFFAOYSA-N 0 3 335.831 4.046 40 0 EIABHN CN1CCC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000074921062 563967065 /nfs/dbraw/zinc/96/70/65/563967065.db2.gz KBGNBAXXZSKBCE-UHFFFAOYSA-N 0 3 334.769 4.029 40 0 EIABHN CCCCN1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214504 563984739 /nfs/dbraw/zinc/98/47/39/563984739.db2.gz MWIZVTIQYJNGKD-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 ZINC000072214669 563984865 /nfs/dbraw/zinc/98/48/65/563984865.db2.gz ZZRUGDURCJIHPO-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 ZINC000072215089 563985092 /nfs/dbraw/zinc/98/50/92/563985092.db2.gz CLQMIJQJGWZDMN-GDBMZVCRSA-N 0 3 333.476 4.388 40 0 EIABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 ZINC000072215051 563985101 /nfs/dbraw/zinc/98/51/01/563985101.db2.gz IXJABAUYGIJJIQ-MRXNPFEDSA-N 0 3 333.476 4.438 40 0 EIABHN COc1cc(CNC2CC2)ccc1OCc1ccc(F)cc1Cl ZINC000008471696 564016169 /nfs/dbraw/zinc/01/61/69/564016169.db2.gz DKPPEYREZRVDMP-UHFFFAOYSA-N 0 3 335.806 4.319 40 0 EIABHN Cn1c2ccccc2nc1[C@H]1CCN(Cc2cnc3ccccc3c2)C1 ZINC000049171154 564032665 /nfs/dbraw/zinc/03/26/65/564032665.db2.gz DFPAGJZWBXUQEE-SFHVURJKSA-N 0 3 342.446 4.111 40 0 biogenic,in-vitro EIABHN Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000026781119 564057216 /nfs/dbraw/zinc/05/72/16/564057216.db2.gz OBRMJGDRGTWSPH-MJGOQNOKSA-N 0 3 341.495 4.383 40 0 EIABHN Cc1ccccc1CN1CCC(C(=O)N2CCCc3ccccc32)CC1 ZINC000009062563 564127650 /nfs/dbraw/zinc/12/76/50/564127650.db2.gz YLQCWCQYKIUSPV-UHFFFAOYSA-N 0 3 348.490 4.186 40 0 EIABHN C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]21 ZINC000052429253 214128175 /nfs/dbraw/zinc/12/81/75/214128175.db2.gz FMPNFDSPHNUFOS-LVCBAPDRSA-N 0 3 345.527 4.419 40 0 EIABHN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038833745 213228259 /nfs/dbraw/zinc/22/82/59/213228259.db2.gz UOUMEQLIVVJURM-MRXNPFEDSA-N 0 3 328.843 4.191 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1 ZINC000038853623 213227757 /nfs/dbraw/zinc/22/77/57/213227757.db2.gz KICRUYRKOJIOSY-UHFFFAOYSA-N 0 3 344.405 4.449 40 0 EIABHN Cc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358569 216165915 /nfs/dbraw/zinc/16/59/15/216165915.db2.gz LTTYUSJKJMFKDN-HXUWFJFHSA-N 0 3 344.462 4.227 40 0 EIABHN Fc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358614 216166352 /nfs/dbraw/zinc/16/63/52/216166352.db2.gz AKDVVVQCSNAPNK-QGZVFWFLSA-N 0 3 348.425 4.057 40 0 EIABHN C[C@H](CN1CCC[C@H](n2c3ccccc3oc2=O)C1)c1ccccc1 ZINC000072347844 216161223 /nfs/dbraw/zinc/16/12/23/216161223.db2.gz QZBANVDLACHLEC-AEFFLSMTSA-N 0 3 336.435 4.035 40 0 EIABHN CCOc1c(Cl)cc(CNCCc2ccccc2F)cc1OC ZINC000022074638 212274939 /nfs/dbraw/zinc/27/49/39/212274939.db2.gz GMVZQVOVHIBMMY-UHFFFAOYSA-N 0 3 337.822 4.219 40 0 EIABHN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000020482695 212137046 /nfs/dbraw/zinc/13/70/46/212137046.db2.gz PREZBDGZVRVLJQ-UHFFFAOYSA-N 0 3 342.870 4.208 40 0 EIABHN Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccsc3)C2)n1 ZINC000257248742 244262771 /nfs/dbraw/zinc/26/27/71/244262771.db2.gz JEZQDUFVHKJUIA-HNNXBMFYSA-N 0 3 325.437 4.096 40 0 EIABHN Fc1ccc(F)c(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346901 212019776 /nfs/dbraw/zinc/01/97/76/212019776.db2.gz GBIXXNFFRHLELU-AWEZNQCLSA-N 0 3 327.378 4.221 40 0 EIABHN Cn1nc([C@H]2CCCN(Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019289498 212011737 /nfs/dbraw/zinc/01/17/37/212011737.db2.gz JLZUWBNJRWTKLQ-HNNXBMFYSA-N 0 3 340.858 4.001 40 0 EIABHN O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000012284620 211333371 /nfs/dbraw/zinc/33/33/71/211333371.db2.gz ARDWJMAHNFRPJJ-MRXNPFEDSA-N 0 3 328.843 4.191 40 0 EIABHN S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)N2C1CC1 ZINC000004886634 210310910 /nfs/dbraw/zinc/31/09/10/210310910.db2.gz DFOWZBIOZHJFNW-LQDVMPOASA-N 0 3 349.931 4.174 40 0 EIABHN CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)cc1 ZINC000004856998 210303536 /nfs/dbraw/zinc/30/35/36/210303536.db2.gz OQWMVLGSTAKVIJ-JLYLLQBASA-N 0 3 343.540 4.083 40 0 EIABHN O=C(NC1CCCCCCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030944057 563911895 /nfs/dbraw/zinc/91/18/95/563911895.db2.gz SKPBXDUMWUFGHC-SFHVURJKSA-N 0 3 346.490 4.267 40 0 EIABHN CCSC1(SCC)C(=O)OC2=C(CCCCCC2)[C@H]1N(C)C ZINC000031759760 563912920 /nfs/dbraw/zinc/91/29/20/563912920.db2.gz WZZPXQRNDMHZDV-OAHLLOKOSA-N 0 3 343.558 4.284 40 0 EIABHN O=C1c2ccc3ccccc3c2CC[C@H]1[C@H]1NCCc2ccccc21 ZINC000031938402 563913224 /nfs/dbraw/zinc/91/32/24/563913224.db2.gz FIWNZTBJFYHZIL-VXKWHMMOSA-N 0 3 327.427 4.472 40 0 EIABHN O=C1c2ccc3ccccc3c2CC[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000031938397 563913249 /nfs/dbraw/zinc/91/32/49/563913249.db2.gz FIWNZTBJFYHZIL-FGZHOGPDSA-N 0 3 327.427 4.472 40 0 EIABHN CC(C)(C)CC(C)(C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000065860317 563962151 /nfs/dbraw/zinc/96/21/51/563962151.db2.gz AVPGQBOTCQDFHY-UHFFFAOYSA-N 0 3 330.516 4.230 40 0 EIABHN Cc1cccc(Cl)c1CN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290474 563982033 /nfs/dbraw/zinc/98/20/33/563982033.db2.gz WPTLYQYBTBPHPC-XUVXKRRUSA-N 0 3 345.870 4.099 40 0 EIABHN CNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008377333 564016198 /nfs/dbraw/zinc/01/61/98/564016198.db2.gz FBNAKCQYTMONPB-UHFFFAOYSA-N 0 3 326.223 4.300 40 0 EIABHN CCc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000009063108 564016559 /nfs/dbraw/zinc/01/65/59/564016559.db2.gz IQFWOBZHTHUABM-UHFFFAOYSA-N 0 3 336.479 4.408 40 0 EIABHN C[C@H](O)c1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1 ZINC000022108652 564034262 /nfs/dbraw/zinc/03/42/62/564034262.db2.gz DNNVRAXONCIMGA-HNNXBMFYSA-N 0 3 339.410 4.471 40 0 EIABHN C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 ZINC000299888319 564060894 /nfs/dbraw/zinc/06/08/94/564060894.db2.gz FMPNFDSPHNUFOS-XUBQYUOCSA-N 0 3 345.527 4.419 40 0 EIABHN Cc1nc(NC2CCCCC2)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329066087 564072119 /nfs/dbraw/zinc/07/21/19/564072119.db2.gz XXBWXLXVYDCUER-OAHLLOKOSA-N 0 3 336.483 4.481 40 0 EIABHN O=C(Nc1cccc(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063562 564127648 /nfs/dbraw/zinc/12/76/48/564127648.db2.gz HTZNUBFJAOXBTL-UHFFFAOYSA-N 0 3 346.833 4.330 40 0 EIABHN C[C@@H]1CCCN1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004411195 210189880 /nfs/dbraw/zinc/18/98/80/210189880.db2.gz MUFKSDGEJXMZSW-HOJAQTOUSA-N 0 3 327.468 4.154 40 0 EIABHN O=C1c2ccccc2C(=O)N1CN(C1CCCCC1)C1CCCCC1 ZINC000003466608 210048648 /nfs/dbraw/zinc/04/86/48/210048648.db2.gz BALMNJIMZSRLDB-UHFFFAOYSA-N 0 3 340.467 4.208 40 0 EIABHN CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038835311 213228878 /nfs/dbraw/zinc/22/88/78/213228878.db2.gz RPGXWPJBSPQYJA-GOSISDBHSA-N 0 3 340.442 4.239 40 0 EIABHN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833882 213227620 /nfs/dbraw/zinc/22/76/20/213227620.db2.gz XFLLGSMEANELSU-HNNXBMFYSA-N 0 3 346.833 4.330 40 0 EIABHN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000038833413 213226852 /nfs/dbraw/zinc/22/68/52/213226852.db2.gz INLNIIQXSMLIFR-SFHVURJKSA-N 0 3 340.442 4.293 40 0 EIABHN NCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000038540402 213214019 /nfs/dbraw/zinc/21/40/19/213214019.db2.gz LSNOXFPGBSGJIK-UHFFFAOYSA-N 0 3 339.442 4.182 40 0 EIABHN Cc1cccnc1Nc1cncc([C@@H]2CCCN2CC(C)(C)C)n1 ZINC000072376265 216178836 /nfs/dbraw/zinc/17/88/36/216178836.db2.gz URLAKFRIAJWJFY-INIZCTEOSA-N 0 3 325.460 4.107 40 0 EIABHN Cc1cccc(CN2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c1 ZINC000072375269 216179180 /nfs/dbraw/zinc/17/91/80/216179180.db2.gz QIJUSBOGQGOXRD-LJQANCHMSA-N 0 3 345.450 4.261 40 0 EIABHN CC1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000020806385 212173928 /nfs/dbraw/zinc/17/39/28/212173928.db2.gz YCNCDZXLEPMBSO-HXUWFJFHSA-N 0 3 331.500 4.206 40 0 EIABHN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCCCC2)cc1 ZINC000020045461 212097173 /nfs/dbraw/zinc/09/71/73/212097173.db2.gz KLHIBZYBGHEVHT-JOCHJYFZSA-N 0 3 348.490 4.480 40 0 EIABHN Fc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@H]2c2cc[nH]n2)cc1 ZINC000019349446 212019227 /nfs/dbraw/zinc/01/92/27/212019227.db2.gz APNOQFWDBQNZFA-ZWKOTPCHSA-N 0 3 339.389 4.071 40 0 EIABHN COc1ccccc1CN1CCC[C@H](c2nc(C)n3ccccc23)C1 ZINC000019240682 212009275 /nfs/dbraw/zinc/00/92/75/212009275.db2.gz ZNVZFNPGXXYOCN-SFHVURJKSA-N 0 3 335.451 4.031 40 0 EIABHN CCc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012276671 211333819 /nfs/dbraw/zinc/33/38/19/211333819.db2.gz IYDAWMFQXUUXMQ-UHFFFAOYSA-N 0 3 348.450 4.074 40 0 EIABHN COc1ccc(C2(NCc3n[nH]nc3-c3ccccc3)CCCC2)cc1 ZINC000012147633 211307542 /nfs/dbraw/zinc/30/75/42/211307542.db2.gz GFHIZNXSZLFGMZ-UHFFFAOYSA-N 0 3 348.450 4.039 40 0 EIABHN COc1ccc(C2(NCc3[nH]nnc3-c3ccccc3)CCCC2)cc1 ZINC000012147633 211307543 /nfs/dbraw/zinc/30/75/43/211307543.db2.gz GFHIZNXSZLFGMZ-UHFFFAOYSA-N 0 3 348.450 4.039 40 0 EIABHN Fc1ccc(-c2ccc(CNCCCSc3ncccn3)o2)cc1 ZINC000004984188 210350159 /nfs/dbraw/zinc/35/01/59/210350159.db2.gz HQMIAUBNXULLAN-UHFFFAOYSA-N 0 3 343.427 4.148 40 0 EIABHN C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008497943 563631620 /nfs/dbraw/zinc/63/16/20/563631620.db2.gz HBCVVNMSWITLTQ-LBPRGKRZSA-N 0 3 340.250 4.043 40 0 EIABHN Cc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)o1 ZINC000096051104 563978545 /nfs/dbraw/zinc/97/85/45/563978545.db2.gz XDAUHDIWFJJLQC-IBGZPJMESA-N 0 3 346.421 4.326 40 0 EIABHN c1csc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)c1 ZINC000096057046 563978663 /nfs/dbraw/zinc/97/86/63/563978663.db2.gz MLZRAKKTHLMVRT-VQTJNVASSA-N 0 3 349.540 4.326 40 0 EIABHN c1csc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)c1 ZINC000107752066 563984159 /nfs/dbraw/zinc/98/41/59/563984159.db2.gz MLZRAKKTHLMVRT-UXHICEINSA-N 0 3 349.540 4.326 40 0 EIABHN CCCN1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214457 563984745 /nfs/dbraw/zinc/98/47/45/563984745.db2.gz KFAGRCPORBYQAP-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 ZINC000072215250 563985240 /nfs/dbraw/zinc/98/52/40/563985240.db2.gz JNIDWZWTACDBFO-HOCLYGCPSA-N 0 3 333.476 4.436 40 0 EIABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2)cn1)C1CCC1 ZINC000072215454 563985271 /nfs/dbraw/zinc/98/52/71/563985271.db2.gz XXFRSTNHZYEXGB-INIZCTEOSA-N 0 3 331.460 4.190 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c1 ZINC000009063031 564016557 /nfs/dbraw/zinc/01/65/57/564016557.db2.gz HKXBOCCHDMHOOQ-UHFFFAOYSA-N 0 3 344.405 4.124 40 0 EIABHN CC(C)CCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000023410339 564036207 /nfs/dbraw/zinc/03/62/07/564036207.db2.gz AQIHOFYBFAVTBI-UHFFFAOYSA-N 0 3 336.479 4.021 40 0 EIABHN CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCCN(C(C)C)C2)s1 ZINC000257299383 564055036 /nfs/dbraw/zinc/05/50/36/564055036.db2.gz RPVPXZLBWLACFG-OAHLLOKOSA-N 0 3 344.528 4.386 40 0 EIABHN C[C@H]1CCN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C1 ZINC000004416838 210191110 /nfs/dbraw/zinc/19/11/10/210191110.db2.gz XILWIKWHCRBAJH-IHPCNDPISA-N 0 3 327.468 4.012 40 0 EIABHN CCCCOc1ccc2[nH]c(C)c(CN3CCCC[C@H]3C)c(=O)c2c1 ZINC000004367979 210180542 /nfs/dbraw/zinc/18/05/42/210180542.db2.gz NRCFHJWSSITGIB-OAHLLOKOSA-N 0 3 342.483 4.390 40 0 EIABHN CCCCOc1ccc2[nH]c(C)c(CN3CCC[C@H](C)C3)c(=O)c2c1 ZINC000004367962 210180568 /nfs/dbraw/zinc/18/05/68/210180568.db2.gz UEZLIJVHRKKPRS-HNNXBMFYSA-N 0 3 342.483 4.247 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000039762187 213242155 /nfs/dbraw/zinc/24/21/55/213242155.db2.gz NSSQRUCPJLDOMQ-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3F)cc2)CC1 ZINC000038849263 213228963 /nfs/dbraw/zinc/22/89/63/213228963.db2.gz YVEJAXJOPXTBRN-UHFFFAOYSA-N 0 3 326.415 4.310 40 0 EIABHN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038852420 213228505 /nfs/dbraw/zinc/22/85/05/213228505.db2.gz CBBMOHQBZVOUKQ-LJQANCHMSA-N 0 3 344.474 4.044 40 0 EIABHN COc1ccc([C@H](O)[C@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000031961945 212771746 /nfs/dbraw/zinc/77/17/46/212771746.db2.gz ZVOJPKQDEDCIGN-YADHBBJMSA-N 0 3 333.431 4.260 40 0 EIABHN CCN(CC)CCNCc1ccccc1OCc1ccccc1Cl ZINC000022075025 212277308 /nfs/dbraw/zinc/27/73/08/212277308.db2.gz PDOOEEMXHIUEDK-UHFFFAOYSA-N 0 3 346.902 4.350 40 0 EIABHN CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022075794 212277217 /nfs/dbraw/zinc/27/72/17/212277217.db2.gz NIDMRNKIDPGUOU-UHFFFAOYSA-N 0 3 346.902 4.350 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1 ZINC000020483302 212136761 /nfs/dbraw/zinc/13/67/61/212136761.db2.gz OSDHDGDMROIGLY-UHFFFAOYSA-N 0 3 348.556 4.180 40 0 EIABHN Clc1ccccc1CN1CC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000019348836 212019190 /nfs/dbraw/zinc/01/91/90/212019190.db2.gz QXEGMPFEMDUOAO-ZDUSSCGKSA-N 0 3 345.855 4.441 40 0 EIABHN Cn1nc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2cccnc21 ZINC000019289491 212011377 /nfs/dbraw/zinc/01/13/77/212011377.db2.gz VUKJLVVBLSTSDE-HNNXBMFYSA-N 0 3 340.858 4.001 40 0 EIABHN Cc1nc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c2ccccn12 ZINC000019240668 212008318 /nfs/dbraw/zinc/00/83/18/212008318.db2.gz NQECFMXEILSPFW-INIZCTEOSA-N 0 3 341.405 4.301 40 0 EIABHN CC(C)(C)OC(=O)NC1CCN(CC/C=C/c2ccccc2)CC1 ZINC000079438855 217224574 /nfs/dbraw/zinc/22/45/74/217224574.db2.gz AJSPRYMULFBUQX-YRNVUSSQSA-N 0 3 330.472 4.079 40 0 EIABHN Cc1c2ccccc2[nH]c1CN1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012292922 211335092 /nfs/dbraw/zinc/33/50/92/211335092.db2.gz CZRWFLGAEAZKRK-UHFFFAOYSA-N 0 3 334.463 4.268 40 0 EIABHN COc1ccc2cnc(C3CCN(Cc4ccncc4)CC3)cc2c1C ZINC000012222770 211323569 /nfs/dbraw/zinc/32/35/69/211323569.db2.gz WFABWEIPKROLTD-UHFFFAOYSA-N 0 3 347.462 4.326 40 0 EIABHN Cc1cc(N2CCc3ccccc3C2)ncc1[C@H](N)c1ccccc1 ZINC000072223899 257686833 /nfs/dbraw/zinc/68/68/33/257686833.db2.gz WXPOSGOYNXQWKH-JOCHJYFZSA-N 0 3 329.447 4.001 40 0 EIABHN Brc1ccc(OCc2ccccc2)c(CNC2CC2)c1 ZINC000016480499 563812724 /nfs/dbraw/zinc/81/27/24/563812724.db2.gz VEVQXCIFIQOSPB-UHFFFAOYSA-N 0 3 332.241 4.280 40 0 EIABHN COc1ccc(C)cc1CN1CCC[C@H](c2nc(C)n3ccccc23)C1 ZINC000019133431 563854341 /nfs/dbraw/zinc/85/43/41/563854341.db2.gz QWPYQCXNDVLZIO-SFHVURJKSA-N 0 3 349.478 4.339 40 0 EIABHN CCCCN1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214443 563984760 /nfs/dbraw/zinc/98/47/60/563984760.db2.gz YXDAZUMCOLEERM-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 ZINC000072215088 563985069 /nfs/dbraw/zinc/98/50/69/563985069.db2.gz CLQMIJQJGWZDMN-HOCLYGCPSA-N 0 3 333.476 4.388 40 0 EIABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 ZINC000072215137 563985130 /nfs/dbraw/zinc/98/51/30/563985130.db2.gz XZRSLGYVXSYSAS-ZBFHGGJFSA-N 0 3 333.476 4.436 40 0 EIABHN O=C(NCc1ccccc1CN1CCCCC1)c1cccc(Cl)c1 ZINC000138987226 563999945 /nfs/dbraw/zinc/99/99/45/563999945.db2.gz ZZHXRPSKPPWESU-UHFFFAOYSA-N 0 3 342.870 4.256 40 0 EIABHN CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000224525483 564043061 /nfs/dbraw/zinc/04/30/61/564043061.db2.gz GTQVAXCCVNOXPA-GOSISDBHSA-N 0 3 330.516 4.231 40 0 EIABHN Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Cl ZINC000010365704 564127800 /nfs/dbraw/zinc/12/78/00/564127800.db2.gz GFAGZTXFTLIZFL-UHFFFAOYSA-N 0 3 328.843 4.497 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000039767587 213242892 /nfs/dbraw/zinc/24/28/92/213242892.db2.gz SHDGKGKPUQLYNL-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038849293 213228378 /nfs/dbraw/zinc/22/83/78/213228378.db2.gz ZTQDZRSXUYUNCI-OAHLLOKOSA-N 0 3 346.833 4.330 40 0 EIABHN Fc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358575 216165357 /nfs/dbraw/zinc/16/53/57/216165357.db2.gz FEWNBQXSSHAZST-GOSISDBHSA-N 0 3 348.425 4.057 40 0 EIABHN c1cn(-c2cccc([C@@H]3CCCN3Cc3ccc4[nH]ccc4c3)n2)cn1 ZINC000072355500 216163602 /nfs/dbraw/zinc/16/36/02/216163602.db2.gz FCDMQUZWUBPCCO-FQEVSTJZSA-N 0 3 343.434 4.086 40 0 EIABHN Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccc(F)cc3)C2)n1 ZINC000257261989 244349822 /nfs/dbraw/zinc/34/98/22/244349822.db2.gz LJOBWAGTQBWDSD-MRXNPFEDSA-N 0 3 337.398 4.174 40 0 EIABHN Cc1cc(-c2cn[nH]c2[C@H]2CCCCN2CC2CCCCC2)on1 ZINC000019120882 212000876 /nfs/dbraw/zinc/00/08/76/212000876.db2.gz XTZVRHSCAKOCRD-QGZVFWFLSA-N 0 3 328.460 4.480 40 0 EIABHN O=c1oc2ccc(Cl)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 ZINC000012119106 211297999 /nfs/dbraw/zinc/29/79/99/211297999.db2.gz QOUMHGOUPLVFOZ-INIZCTEOSA-N 0 3 342.826 4.085 40 0 EIABHN Cc1cc(/C=C\c2ccc3ccccc3[n+]2C)c([O-])c2ncccc12 ZINC000004900398 210316000 /nfs/dbraw/zinc/31/60/00/210316000.db2.gz XYXWONIIBOFXMZ-UHFFFAOYSA-O 0 3 327.407 4.397 40 0 EIABHN Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)c1C ZINC000004857030 210302787 /nfs/dbraw/zinc/30/27/87/210302787.db2.gz FOZXPCHROMNVJF-ZNXRZULTSA-N 0 3 343.540 4.138 40 0 EIABHN O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000039758206 257854961 /nfs/dbraw/zinc/85/49/61/257854961.db2.gz GZCWEWFDDYCNBU-UHFFFAOYSA-N 0 3 328.843 4.191 40 0 EIABHN CN1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccccc3)C[C@@H]1CC2 ZINC000001198943 563378848 /nfs/dbraw/zinc/37/88/48/563378848.db2.gz HGGDJEQUDXEESF-RTWAWAEBSA-N 0 3 346.474 4.122 40 0 EIABHN CCCCOc1ccc2[nH]c(C)c(CN3CCCCCC3)c(=O)c2c1 ZINC000001918195 563416487 /nfs/dbraw/zinc/41/64/87/563416487.db2.gz DTLAPRXCQWWAAC-UHFFFAOYSA-N 0 3 342.483 4.391 40 0 EIABHN C[C@]1(CN2CCCCC2)COc2c(Cl)cc(Cl)cc2C1=O ZINC000005618502 563543345 /nfs/dbraw/zinc/54/33/45/563543345.db2.gz YGBVBZDKRPFWNT-INIZCTEOSA-N 0 3 328.239 4.061 40 0 EIABHN Cc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1 ZINC000013123398 563689274 /nfs/dbraw/zinc/68/92/74/563689274.db2.gz MLKVGBZASWPPOU-RMKNXTFCSA-N 0 3 337.810 4.431 40 0 EIABHN CC(C)OCCCN(Cc1ccncc1)Cc1cccc2cccnc21 ZINC000057797109 563935967 /nfs/dbraw/zinc/93/59/67/563935967.db2.gz HGCWHUFPKINJBP-UHFFFAOYSA-N 0 3 349.478 4.447 40 0 EIABHN Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)o1 ZINC000096057050 563978800 /nfs/dbraw/zinc/97/88/00/563978800.db2.gz WRVXBSFJSCWAGD-LEWJYISDSA-N 0 3 347.499 4.166 40 0 EIABHN CC(C)N1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214459 563984794 /nfs/dbraw/zinc/98/47/94/563984794.db2.gz BSWGDKWDLUSTNH-INIZCTEOSA-N 0 3 333.476 4.388 40 0 EIABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 ZINC000072215090 563985083 /nfs/dbraw/zinc/98/50/83/563985083.db2.gz CLQMIJQJGWZDMN-GOEBONIOSA-N 0 3 333.476 4.388 40 0 EIABHN O=C(NCCCc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010110337 564017073 /nfs/dbraw/zinc/01/70/73/564017073.db2.gz CAWZPYPODLBAPS-UHFFFAOYSA-N 0 3 336.479 4.035 40 0 EIABHN Clc1ccc(Oc2ccccc2)c2nccc(N3CCNCC3)c12 ZINC000225321818 564045954 /nfs/dbraw/zinc/04/59/54/564045954.db2.gz RJAHSWBCOVELQP-UHFFFAOYSA-N 0 3 339.826 4.090 40 0 EIABHN Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C ZINC000225507108 564047360 /nfs/dbraw/zinc/04/73/60/564047360.db2.gz QZKLDIMXMADCFH-UHFFFAOYSA-N 0 3 338.451 4.029 40 0 EIABHN COc1ccccc1CN1CC[C@@H](c2nc(-c3ccccc3C)no2)C1 ZINC000257329001 564055527 /nfs/dbraw/zinc/05/55/27/564055527.db2.gz XHYVPOFZRZOPQE-QGZVFWFLSA-N 0 3 349.434 4.043 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3Cl)CC2)c1 ZINC000009062995 564127624 /nfs/dbraw/zinc/12/76/24/564127624.db2.gz QQXIIHCGVJGWNP-UHFFFAOYSA-N 0 3 342.870 4.499 40 0 EIABHN CC1(C)CCN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C1 ZINC000004404522 210187040 /nfs/dbraw/zinc/18/70/40/210187040.db2.gz FVTFMKWTHZZTJA-PMACEKPBSA-N 0 3 341.495 4.402 40 0 EIABHN CCc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000039757471 213242088 /nfs/dbraw/zinc/24/20/88/213242088.db2.gz VGTNLWUHQPDWPE-UHFFFAOYSA-N 0 3 340.442 4.239 40 0 EIABHN O=C(NCCC1=CCCCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038852418 213228251 /nfs/dbraw/zinc/22/82/51/213228251.db2.gz CBBMOHQBZVOUKQ-IBGZPJMESA-N 0 3 344.474 4.044 40 0 EIABHN COc1ccc2[nH]c([C@H]3CCN(Cc4cccc(Cl)c4)C3)nc2c1 ZINC000035446738 213028139 /nfs/dbraw/zinc/02/81/39/213028139.db2.gz BUAMBZAEJUGOAF-AWEZNQCLSA-N 0 3 341.842 4.214 40 0 biogenic,in-vitro EIABHN Cc1cccnc1Nc1cncc([C@@H]2CCCN(CC(C)(C)C)C2)n1 ZINC000072354332 216161826 /nfs/dbraw/zinc/16/18/26/216161826.db2.gz AZKPTBOXKZUMTL-MRXNPFEDSA-N 0 3 339.487 4.149 40 0 EIABHN CN(Cc1c2cccnc2[nH]c1C1CCOCC1)Cc1ccccc1 ZINC000072394984 216193014 /nfs/dbraw/zinc/19/30/14/216193014.db2.gz GINXJZNQGSNFKB-UHFFFAOYSA-N 0 3 335.451 4.089 40 0 EIABHN COc1c(Cl)cc(Cl)cc1CNCCc1ccccc1F ZINC000022074744 212275622 /nfs/dbraw/zinc/27/56/22/212275622.db2.gz AHQKEYWANVOFRW-UHFFFAOYSA-N 0 3 328.214 4.473 40 0 EIABHN Cc1ccccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000243280297 243025239 /nfs/dbraw/zinc/02/52/39/243025239.db2.gz LACCJUYOYYPICV-UHFFFAOYSA-N 0 3 347.466 4.169 40 0 EIABHN CN(Cc1c2ncccc2[nH]c1-c1cccnc1)Cc1ccccc1 ZINC000019717972 212057238 /nfs/dbraw/zinc/05/72/38/212057238.db2.gz CFRWYJLRSRMEKQ-UHFFFAOYSA-N 0 3 328.419 4.257 40 0 EIABHN Cn1nc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2cccnc21 ZINC000019289490 212011395 /nfs/dbraw/zinc/01/13/95/212011395.db2.gz VUKJLVVBLSTSDE-OAHLLOKOSA-N 0 3 340.858 4.001 40 0 EIABHN S=C(NCc1ccccc1CN1CCCCC1)Nc1ccccc1 ZINC000018945244 211996600 /nfs/dbraw/zinc/99/66/00/211996600.db2.gz NKCATLDAUHJXOK-UHFFFAOYSA-N 0 3 339.508 4.159 40 0 EIABHN Cc1c2ccccc2[nH]c1CN1CCC(O)(c2cccc(C)c2)CC1 ZINC000012328497 211349784 /nfs/dbraw/zinc/34/97/84/211349784.db2.gz OGUJIWPOEJZGGN-UHFFFAOYSA-N 0 3 334.463 4.268 40 0 EIABHN Cc1ccc(C2(O)CCN(Cc3ccc4ncccc4c3)CC2)cc1 ZINC000012292784 211335446 /nfs/dbraw/zinc/33/54/46/211335446.db2.gz KYPONSNULWYLPQ-UHFFFAOYSA-N 0 3 332.447 4.027 40 0 EIABHN C[C@@H]1CCCN(CCOC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000001671235 563401637 /nfs/dbraw/zinc/40/16/37/563401637.db2.gz QMIALDKBKMPFPV-GFCCVEGCSA-N 0 3 330.255 4.272 40 0 EIABHN CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1 ZINC000000001442 563211385 /nfs/dbraw/zinc/21/13/85/563211385.db2.gz YMRFZDHYDKZXPA-UHFFFAOYSA-N 0 3 342.508 4.198 40 0 in-man EIABHN CC(C)N1CCN=C1CN1CCCCSc2ccc(Cl)cc21 ZINC000000001250 563211394 /nfs/dbraw/zinc/21/13/94/563211394.db2.gz RZAGBWYFAWQKAE-UHFFFAOYSA-N 0 3 337.920 4.155 40 0 in-man EIABHN CC(C)N(C(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1)C(C)C ZINC000001668192 563401357 /nfs/dbraw/zinc/40/13/57/563401357.db2.gz CTLRTOZEKFENLH-UHFFFAOYSA-N 0 3 341.499 4.025 40 0 EIABHN Clc1ccc(COc2ccc(CNC[C@@H]3CCCO3)cc2)cc1 ZINC000016401551 563810458 /nfs/dbraw/zinc/81/04/58/563810458.db2.gz HSQQLSHUKQWREC-IBGZPJMESA-N 0 3 331.843 4.188 40 0 EIABHN Cc1ccc(C)c([C@@H](O)CN2CCC(Oc3ccccc3F)CC2)c1 ZINC000019132006 563854387 /nfs/dbraw/zinc/85/43/87/563854387.db2.gz VVGFVOYDWHHXLU-FQEVSTJZSA-N 0 3 343.442 4.019 40 0 EIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(F)cc2)s1 ZINC000043277671 563925538 /nfs/dbraw/zinc/92/55/38/563925538.db2.gz KYSBWFVRQSQXQL-UHFFFAOYSA-N 0 3 343.471 4.485 40 0 EIABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)s1 ZINC000096050866 563978520 /nfs/dbraw/zinc/97/85/20/563978520.db2.gz SMAGSQOPVFRBNK-GOSISDBHSA-N 0 3 346.521 4.055 40 0 EIABHN c1coc(CN2CCC3(C[C@H](c4cncnc4)c4ccccc43)CC2)c1 ZINC000096241591 563980536 /nfs/dbraw/zinc/98/05/36/563980536.db2.gz IMPHSASMWGPJHS-HXUWFJFHSA-N 0 3 345.446 4.139 40 0 EIABHN Cc1ccc(CN2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)s1 ZINC000107728377 563984142 /nfs/dbraw/zinc/98/41/42/563984142.db2.gz UMZTVAXUZKMHBU-MJGOQNOKSA-N 0 3 346.471 4.041 40 0 EIABHN CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215336 563985226 /nfs/dbraw/zinc/98/52/26/563985226.db2.gz KIYWEFBRPYUKRE-INIZCTEOSA-N 0 3 331.460 4.142 40 0 EIABHN CNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008377395 564016177 /nfs/dbraw/zinc/01/61/77/564016177.db2.gz YGCGLGWUNGXCLW-UHFFFAOYSA-N 0 3 326.223 4.300 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000009063092 564016553 /nfs/dbraw/zinc/01/65/53/564016553.db2.gz PNMSUJLLMMHXIV-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(C)cc3C)CC2)c1 ZINC000009062990 564016588 /nfs/dbraw/zinc/01/65/88/564016588.db2.gz TWQVYFQHGVDTHT-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN CN1CC[C@H](C(=O)c2ccccn2)[C@@H](CCc2cccc(Cl)c2)C1 ZINC000584577186 564086138 /nfs/dbraw/zinc/08/61/38/564086138.db2.gz BAPXIHGKPWBXOG-WMZOPIPTSA-N 0 3 342.870 4.118 40 0 EIABHN CC(=O)N(c1ccccc1)C1CCN(CCc2ccc(C)cc2)CC1 ZINC000230598098 564133504 /nfs/dbraw/zinc/13/35/04/564133504.db2.gz BBMRIHXVAUNKEV-UHFFFAOYSA-N 0 3 336.479 4.055 40 0 in-vitro EIABHN COc1cccc(CN(C)C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000077291402 564134187 /nfs/dbraw/zinc/13/41/87/564134187.db2.gz CWTFOLQZKJTWML-KRWDZBQOSA-N 0 3 340.250 4.167 40 0 in-vitro EIABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000008300473 291007001 /nfs/dbraw/zinc/00/70/01/291007001.db2.gz UJSGPMRFRCTSAX-TXPKVOOTSA-N 0 3 343.515 4.226 40 0 biogenic,in-vitro EIABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000038833603 213227818 /nfs/dbraw/zinc/22/78/18/213227818.db2.gz YWHHABSVUOUUQC-GOSISDBHSA-N 0 3 340.442 4.293 40 0 EIABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000038833604 213227746 /nfs/dbraw/zinc/22/77/46/213227746.db2.gz YWHHABSVUOUUQC-SFHVURJKSA-N 0 3 340.442 4.293 40 0 EIABHN O=C(CNCCC1=CCCCC1)NC(c1ccccc1)c1ccccc1 ZINC000035311552 213019610 /nfs/dbraw/zinc/01/96/10/213019610.db2.gz NZECZLXIMUOTPT-UHFFFAOYSA-N 0 3 348.490 4.372 40 0 EIABHN Cc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072358564 216165397 /nfs/dbraw/zinc/16/53/97/216165397.db2.gz DXSQOAUITVYQKD-FQEVSTJZSA-N 0 3 344.462 4.227 40 0 EIABHN Fc1cccc(-c2cncc(C3CCN(Cc4cccnc4)CC3)n2)c1 ZINC000072359403 216166155 /nfs/dbraw/zinc/16/61/55/216166155.db2.gz CJHFLFRFTIKGNM-UHFFFAOYSA-N 0 3 348.425 4.057 40 0 EIABHN c1cn(-c2cccc([C@H]3CCCN3Cc3ccc4[nH]ccc4c3)n2)cn1 ZINC000072355501 216163885 /nfs/dbraw/zinc/16/38/85/216163885.db2.gz FCDMQUZWUBPCCO-HXUWFJFHSA-N 0 3 343.434 4.086 40 0 EIABHN Cc1cccnc1Nc1cncc([C@H]2CCCN2CC(C)(C)C)n1 ZINC000072376266 216179307 /nfs/dbraw/zinc/17/93/07/216179307.db2.gz URLAKFRIAJWJFY-MRXNPFEDSA-N 0 3 325.460 4.107 40 0 EIABHN Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccsc3)C2)n1 ZINC000257248743 244262334 /nfs/dbraw/zinc/26/23/34/244262334.db2.gz JEZQDUFVHKJUIA-OAHLLOKOSA-N 0 3 325.437 4.096 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)Nc3c(F)cccc3F)cc2)CC1 ZINC000019934011 212086868 /nfs/dbraw/zinc/08/68/68/212086868.db2.gz HDIWWBGBVJTYQH-UHFFFAOYSA-N 0 3 344.405 4.449 40 0 EIABHN [O-]c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c2cccnc12 ZINC000019878904 212078837 /nfs/dbraw/zinc/07/88/37/212078837.db2.gz OSUYXBHXTKKQEJ-UHFFFAOYSA-N 0 3 332.447 4.395 40 0 EIABHN CN(Cc1c2cccnc2[nH]c1-c1ccc(F)cc1)Cc1ccncc1 ZINC000019586599 212049448 /nfs/dbraw/zinc/04/94/48/212049448.db2.gz AXODNPYTJFXREW-UHFFFAOYSA-N 0 3 346.409 4.396 40 0 EIABHN CCc1ncc(CN2CCCC[C@@H]2CCc2ccc(OC)cc2)cn1 ZINC000019523413 212036282 /nfs/dbraw/zinc/03/62/82/212036282.db2.gz JEFFJOLBPXDYTG-LJQANCHMSA-N 0 3 339.483 4.035 40 0 EIABHN Fc1ccc(CN2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000019344826 212019716 /nfs/dbraw/zinc/01/97/16/212019716.db2.gz UHTJFKHJBSRYOQ-CQSZACIVSA-N 0 3 343.427 4.317 40 0 EIABHN Cc1ccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)cc1C ZINC000019213947 212005448 /nfs/dbraw/zinc/00/54/48/212005448.db2.gz WQMOLPCGCDZGTG-UHFFFAOYSA-N 0 3 348.450 4.128 40 0 EIABHN CC(C)(C)OC(=O)N[C@H]1CCCN(CC/C=C/c2ccccc2)C1 ZINC000079438726 217225396 /nfs/dbraw/zinc/22/53/96/217225396.db2.gz ONJHQVPXJCESND-NUCSPZLJSA-N 0 3 330.472 4.079 40 0 EIABHN COCCCN(Cc1ccccn1)CC1(c2ccc(Cl)cc2)CC1 ZINC000012364514 211355394 /nfs/dbraw/zinc/35/53/94/211355394.db2.gz AGWIDBGROWKBLS-UHFFFAOYSA-N 0 3 344.886 4.305 40 0 EIABHN Cc1c(CN(CCc2ccccc2)Cc2cccs2)cnn1C ZINC000012327074 211349057 /nfs/dbraw/zinc/34/90/57/211349057.db2.gz AEZTXQZSSJJZIF-UHFFFAOYSA-N 0 3 325.481 4.035 40 0 EIABHN CCCN1CCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214620 257688499 /nfs/dbraw/zinc/68/84/99/257688499.db2.gz NHTHFPWXQVJZIU-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN Cc1nc(N2CCc3ccccc3C2)ccc1[C@H](N)c1ccccc1 ZINC000072224941 518192772 /nfs/dbraw/zinc/19/27/72/518192772.db2.gz NZGOFMISNXKNNU-JOCHJYFZSA-N 0 3 329.447 4.001 40 0 EIABHN CCN(CC)CCN(C(=S)Nc1ccccc1)c1ccccc1 ZINC000005499376 563535330 /nfs/dbraw/zinc/53/53/30/563535330.db2.gz BRQTXXMLBTVZMR-UHFFFAOYSA-N 0 3 327.497 4.232 40 0 EIABHN C[C@H]1CCCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)C1 ZINC000013668828 563708214 /nfs/dbraw/zinc/70/82/14/563708214.db2.gz CFGSGSPULYIXHA-SFHVURJKSA-N 0 3 348.490 4.117 40 0 EIABHN CNCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730671 563719383 /nfs/dbraw/zinc/71/93/83/563719383.db2.gz WXSAGEDFSHMUCM-UHFFFAOYSA-N 0 3 345.034 4.191 40 0 EIABHN COc1ccc(C(=O)[C@H](C)C(C)=N)c(OCc2ccccc2)c1OC ZINC000017020134 563828898 /nfs/dbraw/zinc/82/88/98/563828898.db2.gz GKQGFVVZPBBXNM-CYBMUJFWSA-N 0 3 341.407 4.141 40 0 EIABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000030754126 563910485 /nfs/dbraw/zinc/91/04/85/563910485.db2.gz LQCSHWQWCBKHIX-GOSISDBHSA-N 0 3 336.479 4.472 40 0 EIABHN c1csc(CN2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)c1 ZINC000096047844 563978373 /nfs/dbraw/zinc/97/83/73/563978373.db2.gz ANXCOKLRNVCGLH-GOSISDBHSA-N 0 3 343.492 4.088 40 0 EIABHN CCCN1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214516 563984728 /nfs/dbraw/zinc/98/47/28/563984728.db2.gz YNYNIHKBVMZYOX-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 ZINC000072215050 563985024 /nfs/dbraw/zinc/98/50/24/563985024.db2.gz IXJABAUYGIJJIQ-INIZCTEOSA-N 0 3 333.476 4.438 40 0 EIABHN Cc1cc(C)cc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000009063559 564016647 /nfs/dbraw/zinc/01/66/47/564016647.db2.gz FSHYWWBZPFJAFN-UHFFFAOYSA-N 0 3 340.442 4.293 40 0 EIABHN COc1ccc(CCNCc2cccc(Cl)c2Cl)cc1OC ZINC000016227448 564024531 /nfs/dbraw/zinc/02/45/31/564024531.db2.gz YDFSMFJJFZTZBK-UHFFFAOYSA-N 0 3 340.250 4.343 40 0 EIABHN CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C)n1 ZINC000329027006 564071707 /nfs/dbraw/zinc/07/17/07/564071707.db2.gz PQAKWOVEDHUTPD-GFCCVEGCSA-N 0 3 330.863 4.212 40 0 EIABHN CN(CCOc1ccc(Cl)cc1)CCOc1ccc(Cl)cc1 ZINC000001593125 209765399 /nfs/dbraw/zinc/76/53/99/209765399.db2.gz YIEIQLLNLGZWJS-UHFFFAOYSA-N 0 3 340.250 4.383 40 0 EIABHN CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038835314 213228701 /nfs/dbraw/zinc/22/87/01/213228701.db2.gz RPGXWPJBSPQYJA-SFHVURJKSA-N 0 3 340.442 4.239 40 0 EIABHN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833830 213228442 /nfs/dbraw/zinc/22/84/42/213228442.db2.gz BZAWMIGEMMJFQE-HNNXBMFYSA-N 0 3 346.833 4.330 40 0 EIABHN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038833809 213228460 /nfs/dbraw/zinc/22/84/60/213228460.db2.gz XGQXFKQBXIEUOU-INIZCTEOSA-N 0 3 328.843 4.191 40 0 EIABHN Cc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000038772228 213225887 /nfs/dbraw/zinc/22/58/87/213225887.db2.gz RTRFLZRHVVUTLF-UHFFFAOYSA-N 0 3 336.479 4.157 40 0 EIABHN Cc1ccccc1-c1cncc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000072359425 216166049 /nfs/dbraw/zinc/16/60/49/216166049.db2.gz LHLPJCOBRVPFFC-UHFFFAOYSA-N 0 3 344.462 4.227 40 0 EIABHN Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000072376752 216179317 /nfs/dbraw/zinc/17/93/17/216179317.db2.gz IHRLAUPZUQJSGR-FQEVSTJZSA-N 0 3 344.462 4.453 40 0 EIABHN C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(CC2CC2)C1 ZINC000257242527 244247186 /nfs/dbraw/zinc/24/71/86/244247186.db2.gz ICYUFKKSBBULQQ-HXUWFJFHSA-N 0 3 328.431 4.168 40 0 EIABHN c1cn2ccc([C@H]3CCCCN3Cc3ccc4ncccc4c3)nc2n1 ZINC000257268226 244367935 /nfs/dbraw/zinc/36/79/35/244367935.db2.gz MKTJJRKGMULBHG-HXUWFJFHSA-N 0 3 343.434 4.005 40 0 EIABHN Cc1cc(C)n(C2CCN(Cc3[nH]c4ccc(C)cc4c3C)CC2)n1 ZINC000019658959 212054453 /nfs/dbraw/zinc/05/44/53/212054453.db2.gz CSNVLQMMWFVRFP-UHFFFAOYSA-N 0 3 336.483 4.435 40 0 EIABHN Fc1ccc(CN2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1F ZINC000019373746 212024407 /nfs/dbraw/zinc/02/44/07/212024407.db2.gz GMTFCNMSXKWXLL-DLBZAZTESA-N 0 3 339.389 4.071 40 0 EIABHN c1csc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)c1 ZINC000019343419 212018306 /nfs/dbraw/zinc/01/83/06/212018306.db2.gz VBVBJCNXJMCUEG-UHFFFAOYSA-N 0 3 331.466 4.239 40 0 EIABHN Cc1cnc2cc(C3CCN(Cc4cccc(Cl)c4)CC3)[nH]c2n1 ZINC000019239394 212008915 /nfs/dbraw/zinc/00/89/15/212008915.db2.gz BEVBGWDCKVOSRR-UHFFFAOYSA-N 0 3 340.858 4.299 40 0 EIABHN Cc1cc(N2CCc3ccccc3C2)ncc1[C@@H](N)c1ccccc1 ZINC000072223900 257686791 /nfs/dbraw/zinc/68/67/91/257686791.db2.gz WXPOSGOYNXQWKH-QFIPXVFZSA-N 0 3 329.447 4.001 40 0 EIABHN CN(C)CCO[C@@](C)(c1ccccc1)c1ccc(Br)cc1 ZINC000002019398 563417890 /nfs/dbraw/zinc/41/78/90/563417890.db2.gz URSRSKSNFPUKGH-SFHVURJKSA-N 0 3 348.284 4.291 40 0 in-man EIABHN CC[C@H](CO)NCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008326995 563626774 /nfs/dbraw/zinc/62/67/74/563626774.db2.gz XRVQDIGYBPVKFV-LJQANCHMSA-N 0 3 335.447 4.279 40 0 EIABHN Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)o1 ZINC000096057049 563978827 /nfs/dbraw/zinc/97/88/27/563978827.db2.gz WRVXBSFJSCWAGD-NHCUHLMSSA-N 0 3 347.499 4.166 40 0 EIABHN CN(C)[C@H](CC(=O)C[C@H](c1cccs1)N(C)C)c1cccs1 ZINC000104830331 563983689 /nfs/dbraw/zinc/98/36/89/563983689.db2.gz UVFYSKQUMURGMT-HUUCEWRRSA-N 0 3 336.526 4.065 40 0 EIABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 ZINC000072214963 563985045 /nfs/dbraw/zinc/98/50/45/563985045.db2.gz XPFGMUNPFZGCQG-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN c1ccc(COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000001870456 564013147 /nfs/dbraw/zinc/01/31/47/564013147.db2.gz PIBXELVEOXJXBR-UHFFFAOYSA-N 0 3 347.414 4.284 40 0 EIABHN CCOCCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000008253162 564016002 /nfs/dbraw/zinc/01/60/02/564016002.db2.gz QHIBZSUYYICFDC-UHFFFAOYSA-N 0 3 333.859 4.435 40 0 EIABHN c1ccc2sc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000049168949 564032555 /nfs/dbraw/zinc/03/25/55/564032555.db2.gz FTTOOMZQNBACIJ-AWEZNQCLSA-N 0 3 338.432 4.015 40 0 biogenic,in-vitro EIABHN CCOC(=O)c1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1 ZINC000022076220 564034187 /nfs/dbraw/zinc/03/41/87/564034187.db2.gz LSDQICGPCUSBHA-UHFFFAOYSA-N 0 3 349.430 4.456 40 0 EIABHN CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000225185091 564045319 /nfs/dbraw/zinc/04/53/19/564045319.db2.gz HZEWEJJPURCIII-QGZVFWFLSA-N 0 3 336.479 4.019 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3c(F)cccc3F)CC2)c1 ZINC000009063065 564127652 /nfs/dbraw/zinc/12/76/52/564127652.db2.gz ZTMIYXYPYCVMCO-UHFFFAOYSA-N 0 3 344.405 4.124 40 0 EIABHN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CN2CCCC2)cc1 ZINC000010357774 564127774 /nfs/dbraw/zinc/12/77/74/564127774.db2.gz QQGNUKMBOMCRAT-UHFFFAOYSA-N 0 3 332.806 4.327 40 0 EIABHN C[C@@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004416234 210191282 /nfs/dbraw/zinc/19/12/82/210191282.db2.gz IVQGMURVQGDFDP-YSIASYRMSA-N 0 3 327.468 4.154 40 0 EIABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038833351 213226723 /nfs/dbraw/zinc/22/67/23/213226723.db2.gz MWZYVEUBAVFOCE-GOSISDBHSA-N 0 3 340.442 4.293 40 0 EIABHN Fc1ccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000072358609 216165598 /nfs/dbraw/zinc/16/55/98/216165598.db2.gz OTQZMHFPPGTBLJ-KRWDZBQOSA-N 0 3 348.425 4.057 40 0 EIABHN Fc1ccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000072358571 216165646 /nfs/dbraw/zinc/16/56/46/216165646.db2.gz GCBYFFBIXAYJNW-SFHVURJKSA-N 0 3 348.425 4.057 40 0 EIABHN CCC(CC)C(=O)NCC1CCC([C@H](c2ccccn2)N(C)C)CC1 ZINC000072391151 216191395 /nfs/dbraw/zinc/19/13/95/216191395.db2.gz DYZXLXGSKPFXQX-OUNSHVDWSA-N 0 3 345.531 4.043 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1 ZINC000022526986 212304534 /nfs/dbraw/zinc/30/45/34/212304534.db2.gz BKFSPFKDKVGQKA-UHFFFAOYSA-N 0 3 334.463 4.121 40 0 EIABHN COc1c(Cl)cc(Cl)cc1CNCCc1ccc(F)cc1 ZINC000022074750 212275671 /nfs/dbraw/zinc/27/56/71/212275671.db2.gz RJARTYJUSFTJNM-UHFFFAOYSA-N 0 3 328.214 4.473 40 0 EIABHN Fc1cccc(CN2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c1F ZINC000019373747 212024535 /nfs/dbraw/zinc/02/45/35/212024535.db2.gz FJQBSIMWIJITLS-DLBZAZTESA-N 0 3 339.389 4.071 40 0 EIABHN c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CC[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC000019345161 212020312 /nfs/dbraw/zinc/02/03/12/212020312.db2.gz CGLBQXCRGUSAEM-FCEWJHQRSA-N 0 3 339.483 4.427 40 0 EIABHN Fc1cc(F)cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346895 212019483 /nfs/dbraw/zinc/01/94/83/212019483.db2.gz HCDMZZFXIXGGFR-OAHLLOKOSA-N 0 3 327.378 4.221 40 0 EIABHN Cc1ccsc1CN(CCCO)Cc1c(C)oc2ccccc21 ZINC000012291849 211335857 /nfs/dbraw/zinc/33/58/57/211335857.db2.gz CWMMCXHXVOKDPH-UHFFFAOYSA-N 0 3 329.465 4.496 40 0 EIABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1)C1CCCCC1 ZINC000004888089 210313678 /nfs/dbraw/zinc/31/36/78/210313678.db2.gz HCJAFQFRCUIHKE-AYHJJNSGSA-N 0 3 346.540 4.330 40 0 EIABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 ZINC000072214990 257689039 /nfs/dbraw/zinc/68/90/39/257689039.db2.gz AEMGWQQDLITIAF-INIZCTEOSA-N 0 3 333.476 4.438 40 0 EIABHN CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000010335507 257861044 /nfs/dbraw/zinc/86/10/44/257861044.db2.gz ZLLRCHPPLTZDQU-UHFFFAOYSA-N 0 3 338.451 4.322 40 0 EIABHN C=CNCCc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000005235848 563523992 /nfs/dbraw/zinc/52/39/92/563523992.db2.gz FPLQSMGONGRXPO-UHFFFAOYSA-N 0 3 329.806 4.153 40 0 EIABHN COc1ccc(C)cc1CN1CCC[C@@H](c2nc(C)n3ccccc23)C1 ZINC000019133427 563854407 /nfs/dbraw/zinc/85/44/07/563854407.db2.gz QWPYQCXNDVLZIO-GOSISDBHSA-N 0 3 349.478 4.339 40 0 EIABHN Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)o1 ZINC000107752080 563984163 /nfs/dbraw/zinc/98/41/63/563984163.db2.gz WRVXBSFJSCWAGD-RTWAWAEBSA-N 0 3 347.499 4.166 40 0 EIABHN CCC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000006324970 563992300 /nfs/dbraw/zinc/99/23/00/563992300.db2.gz OBZPODHXSNSOQP-KRWDZBQOSA-N 0 3 336.479 4.163 40 0 EIABHN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000005788605 564006069 /nfs/dbraw/zinc/00/60/69/564006069.db2.gz JTFAPYUEBOLXAA-FFZBTMFNSA-N 0 3 333.516 4.176 40 0 EIABHN Cc1ccc(CN2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)o1 ZINC000049169428 564032541 /nfs/dbraw/zinc/03/25/41/564032541.db2.gz AZUUMNBTEBMOGX-AWEZNQCLSA-N 0 3 343.814 4.281 40 0 biogenic,in-vitro EIABHN C[C@@H](O)c1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1 ZINC000022108647 564034238 /nfs/dbraw/zinc/03/42/38/564034238.db2.gz DNNVRAXONCIMGA-OAHLLOKOSA-N 0 3 339.410 4.471 40 0 EIABHN Cc1ccccc1NC(=S)NC1CCN(Cc2cccs2)CC1 ZINC000225231361 564045485 /nfs/dbraw/zinc/04/54/85/564045485.db2.gz DXIKEUNILFDULK-UHFFFAOYSA-N 0 3 345.537 4.008 40 0 EIABHN CC1CCN(CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)CC1 ZINC000225596759 564048175 /nfs/dbraw/zinc/04/81/75/564048175.db2.gz GAGQDRQUTDSWJY-UHFFFAOYSA-N 0 3 344.499 4.316 40 0 EIABHN Cc1nc(NCc2ccccc2)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000328976515 564071178 /nfs/dbraw/zinc/07/11/78/564071178.db2.gz FOIRENQJFSKCPY-INIZCTEOSA-N 0 3 344.462 4.348 40 0 EIABHN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1C ZINC000038835196 213228791 /nfs/dbraw/zinc/22/87/91/213228791.db2.gz QZQWIGFVIZUNRA-GOSISDBHSA-N 0 3 340.442 4.293 40 0 EIABHN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833883 213228053 /nfs/dbraw/zinc/22/80/53/213228053.db2.gz XFLLGSMEANELSU-OAHLLOKOSA-N 0 3 346.833 4.330 40 0 EIABHN Cc1ccc2oc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446479 213029421 /nfs/dbraw/zinc/02/94/21/213029421.db2.gz BVOGJBZCBNCGFE-AWEZNQCLSA-N 0 3 328.362 4.404 40 0 biogenic,in-vitro EIABHN Cc1cccc(CN2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c1 ZINC000072375270 216179835 /nfs/dbraw/zinc/17/98/35/216179835.db2.gz QIJUSBOGQGOXRD-IBGZPJMESA-N 0 3 345.450 4.261 40 0 EIABHN C[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000022508512 212302237 /nfs/dbraw/zinc/30/22/37/212302237.db2.gz SOUQHXOGRIHXFA-GOSISDBHSA-N 0 3 336.479 4.410 40 0 EIABHN Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCCN2C(C)C)n1 ZINC000257223409 244192050 /nfs/dbraw/zinc/19/20/50/244192050.db2.gz DXGFNLCHRNQLOZ-GOSISDBHSA-N 0 3 327.476 4.165 40 0 EIABHN COc1cccc(CN2CC[C@H](c3nc(-c4ccccc4C)no3)C2)c1 ZINC000257268043 244366707 /nfs/dbraw/zinc/36/67/07/244366707.db2.gz MJZNYNQDGTVRDT-KRWDZBQOSA-N 0 3 349.434 4.043 40 0 EIABHN COc1ccc(C2(NCc3ccc(-n4cccn4)cc3)CCCC2)cc1 ZINC000019553796 212040829 /nfs/dbraw/zinc/04/08/29/212040829.db2.gz QJPATAQOPXMMGR-UHFFFAOYSA-N 0 3 347.462 4.440 40 0 EIABHN c1cnc2[nH]c([C@H]3CCCO3)c(CN3CC[C@@H]4CCCC[C@@H]4C3)c2c1 ZINC000019345185 212019349 /nfs/dbraw/zinc/01/93/49/212019349.db2.gz CGLBQXCRGUSAEM-FRQCXROJSA-N 0 3 339.483 4.427 40 0 EIABHN CCOc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)cc1 ZINC000012222194 211324178 /nfs/dbraw/zinc/32/41/78/211324178.db2.gz QMTALEHNSDWEEO-UHFFFAOYSA-N 0 3 347.462 4.408 40 0 EIABHN Cc1cc(C)nc(SCCCNCc2c(F)cccc2Cl)n1 ZINC000006678431 563577920 /nfs/dbraw/zinc/57/79/20/563577920.db2.gz SXEGPWMEPCMOPC-UHFFFAOYSA-N 0 3 339.867 4.158 40 0 EIABHN CCCN(CCC)CC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000004769076 563510810 /nfs/dbraw/zinc/51/08/10/563510810.db2.gz TVNPIUJCONBJOT-UHFFFAOYSA-N 0 3 338.451 4.120 40 0 EIABHN CCOc1c(Cl)cc(CNCc2ccc(OC)cc2)cc1OC ZINC000007538515 563605226 /nfs/dbraw/zinc/60/52/26/563605226.db2.gz QHFOYUULBVLPIJ-UHFFFAOYSA-N 0 3 335.831 4.046 40 0 EIABHN Clc1ccccc1COc1cccc(CNC[C@H]2CCCO2)c1 ZINC000016450048 563812033 /nfs/dbraw/zinc/81/20/33/563812033.db2.gz GQOQQZGCSFACES-GOSISDBHSA-N 0 3 331.843 4.188 40 0 EIABHN FC1(F)CCN(Cc2cccs2)C[C@@]12CCN(c1ccccc1)C2 ZINC000096051096 563978505 /nfs/dbraw/zinc/97/85/05/563978505.db2.gz LMQARNNWBIZAER-GOSISDBHSA-N 0 3 348.462 4.486 40 0 EIABHN CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214850 563984998 /nfs/dbraw/zinc/98/49/98/563984998.db2.gz MNBIYXQAFKTPJI-INIZCTEOSA-N 0 3 333.476 4.388 40 0 EIABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 ZINC000072215140 563985156 /nfs/dbraw/zinc/98/51/56/563985156.db2.gz XZRSLGYVXSYSAS-GOEBONIOSA-N 0 3 333.476 4.436 40 0 EIABHN Fc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1F ZINC000049169309 564032535 /nfs/dbraw/zinc/03/25/35/564032535.db2.gz ITOCDDATQYXWBC-HNNXBMFYSA-N 0 3 341.361 4.004 40 0 biogenic,in-vitro EIABHN Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4F)C3)o2)cc1 ZINC000049169911 564032596 /nfs/dbraw/zinc/03/25/96/564032596.db2.gz UMYLFNADGMTBTN-KRWDZBQOSA-N 0 3 337.398 4.174 40 0 biogenic,in-vitro EIABHN C[C@H](O)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 ZINC000022108663 564034246 /nfs/dbraw/zinc/03/42/46/564034246.db2.gz VLDFAGCUTFJALJ-HNNXBMFYSA-N 0 3 339.410 4.471 40 0 EIABHN CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224552644 564043126 /nfs/dbraw/zinc/04/31/26/564043126.db2.gz UKDKQOPFYNEZMU-KRWDZBQOSA-N 0 3 348.506 4.370 40 0 EIABHN Cc1nc(NCc2ccccc2)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000328976522 564071175 /nfs/dbraw/zinc/07/11/75/564071175.db2.gz FOIRENQJFSKCPY-MRXNPFEDSA-N 0 3 344.462 4.348 40 0 EIABHN Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010368133 564127807 /nfs/dbraw/zinc/12/78/07/564127807.db2.gz RAMCZVDGCLXDFX-UHFFFAOYSA-N 0 3 328.843 4.497 40 0 EIABHN CC(C)(C)c1ccc(-c2nc([C@H](N)c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095534024 564141696 /nfs/dbraw/zinc/14/16/96/564141696.db2.gz QTILLFKUDOOBBW-MRXNPFEDSA-N 0 3 340.858 4.471 40 0 EIABHN O=C1C(CN2CCCCC2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000104269465 219368654 /nfs/dbraw/zinc/36/86/54/219368654.db2.gz NLPPWDBRADHGEK-HXUWFJFHSA-N 0 3 348.446 4.073 40 0 EIABHN Cc1cc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000039757148 213242289 /nfs/dbraw/zinc/24/22/89/213242289.db2.gz CTALIWTXFZJLGO-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN COc1cccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)c1 ZINC000035442907 213028914 /nfs/dbraw/zinc/02/89/14/213028914.db2.gz WKRPSRIYXLZWCT-AWEZNQCLSA-N 0 3 342.826 4.479 40 0 biogenic,in-vitro EIABHN c1ccc(Cc2cccc(C3CCN(Cc4ccccn4)CC3)n2)cc1 ZINC000072348935 216160843 /nfs/dbraw/zinc/16/08/43/216160843.db2.gz VECIRQQOIOOVLR-UHFFFAOYSA-N 0 3 343.474 4.447 40 0 EIABHN Cc1c(CN(CCN(C)C)Cc2cccs2)oc2ccccc12 ZINC000019566315 212043667 /nfs/dbraw/zinc/04/36/67/212043667.db2.gz DYOKTWPPKRHSOU-UHFFFAOYSA-N 0 3 328.481 4.367 40 0 EIABHN Cc1nc([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c2ccccn12 ZINC000019240667 212008715 /nfs/dbraw/zinc/00/87/15/212008715.db2.gz NQECFMXEILSPFW-MRXNPFEDSA-N 0 3 341.405 4.301 40 0 EIABHN COc1ccc2c(c1)sc(/C=C/c1ccc([O-])c3ncccc13)[n+]2C ZINC000005049322 210374800 /nfs/dbraw/zinc/37/48/00/210374800.db2.gz NYEGDFUEJKWYBU-UHFFFAOYSA-O 0 3 349.435 4.159 40 0 EIABHN CC[C@@]1(C)C[C@@]2(CCCN(CCC(=O)c3ccccc3)C2)CCO1 ZINC000005008159 210360974 /nfs/dbraw/zinc/36/09/74/210360974.db2.gz HPAWIRFVASVWBY-LEWJYISDSA-N 0 3 329.484 4.321 40 0 EIABHN O[C@@H]1c2c(ccc3ccccc32)CC[C@H]1[C@H]1NCCc2ccccc21 ZINC000004913977 210320514 /nfs/dbraw/zinc/32/05/14/210320514.db2.gz NXHJGRJQTMOMRC-PMVMPFDFSA-N 0 3 329.443 4.323 40 0 EIABHN Cc1ccc2c(c1)N(C(=O)CNCCc1ccccc1)C(C)(C)C=C2C ZINC000004896809 210315273 /nfs/dbraw/zinc/31/52/73/210315273.db2.gz ZBRNEOYZGVXLLW-UHFFFAOYSA-N 0 3 348.490 4.356 40 0 EIABHN CCCCN(C(=O)c1cc(C)cc(C)c1)C1=C[C@@H]2CC[C@H](C1)N2C ZINC000005298050 563525627 /nfs/dbraw/zinc/52/56/27/563525627.db2.gz GNYZYYFKNNJUQR-RBUKOAKNSA-N 0 3 326.484 4.296 40 0 EIABHN CN(CCN1CCCCC1)C(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000006437478 563568427 /nfs/dbraw/zinc/56/84/27/563568427.db2.gz FONQVCVXPUIGHD-OAQYLSRUSA-N 0 3 342.527 4.295 40 0 EIABHN COc1ccc(C)cc1CN1CCC(c2cc3ncccc3cn2)CC1 ZINC000019133361 563854360 /nfs/dbraw/zinc/85/43/60/563854360.db2.gz BERZCHNNUWCNKH-UHFFFAOYSA-N 0 3 347.462 4.326 40 0 EIABHN O=C(NC1CCCCCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030944054 563911880 /nfs/dbraw/zinc/91/18/80/563911880.db2.gz SKPBXDUMWUFGHC-GOSISDBHSA-N 0 3 346.490 4.267 40 0 EIABHN COc1ccc([C@@H](O)[C@H](NCc2ccccc2)c2ccccc2)cc1 ZINC000031961941 563913292 /nfs/dbraw/zinc/91/32/92/563913292.db2.gz ZVOJPKQDEDCIGN-FGZHOGPDSA-N 0 3 333.431 4.260 40 0 EIABHN Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)s1 ZINC000096047591 563978287 /nfs/dbraw/zinc/97/82/87/563978287.db2.gz UMZTVAXUZKMHBU-PKOBYXMFSA-N 0 3 346.471 4.041 40 0 EIABHN Cc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1 ZINC000585288553 563982047 /nfs/dbraw/zinc/98/20/47/563982047.db2.gz DNOKKJFXFNAMNV-XUVXKRRUSA-N 0 3 345.870 4.099 40 0 EIABHN CC(C)CN1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214501 563984766 /nfs/dbraw/zinc/98/47/66/563984766.db2.gz KIFPJZNLVYAMDU-MRXNPFEDSA-N 0 3 333.476 4.246 40 0 EIABHN CCCN1CCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214799 563984949 /nfs/dbraw/zinc/98/49/49/563984949.db2.gz QOFMXBISKRAHRL-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008377371 564016171 /nfs/dbraw/zinc/01/61/71/564016171.db2.gz DXZOJJFETPANAE-UHFFFAOYSA-N 0 3 340.648 4.401 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000009063094 564127635 /nfs/dbraw/zinc/12/76/35/564127635.db2.gz VWVLSOQNVQAFGA-UHFFFAOYSA-N 0 3 342.870 4.499 40 0 EIABHN COc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Cl ZINC000010337964 564127769 /nfs/dbraw/zinc/12/77/69/564127769.db2.gz GWIZNBNIVKCVAH-UHFFFAOYSA-N 0 3 344.842 4.197 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c1 ZINC000039742993 213242122 /nfs/dbraw/zinc/24/21/22/213242122.db2.gz AYSVVJXJVXYPMV-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN Cc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039768087 213241789 /nfs/dbraw/zinc/24/17/89/213241789.db2.gz CMWQPVONYMQPGV-UHFFFAOYSA-N 0 3 340.442 4.293 40 0 EIABHN CC(C)c1nccn1-c1nccnc1[C@H]1CCCN1Cc1ccccc1 ZINC000072359236 216166235 /nfs/dbraw/zinc/16/62/35/216166235.db2.gz VOXYOIKNUCFHLE-GOSISDBHSA-N 0 3 347.466 4.123 40 0 EIABHN Cc1cccc(-c2cncc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072359426 216166442 /nfs/dbraw/zinc/16/64/42/216166442.db2.gz GGCQLRLORIEJRY-LJQANCHMSA-N 0 3 344.462 4.227 40 0 EIABHN CN(C)CCN(Cc1cccs1)Cc1ccc(Cl)c(F)c1 ZINC000023247864 212363661 /nfs/dbraw/zinc/36/36/61/212363661.db2.gz ZKVKCCGNIVGREX-UHFFFAOYSA-N 0 3 326.868 4.104 40 0 EIABHN O=C(NCCSC1CCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000225817894 242050049 /nfs/dbraw/zinc/05/00/49/242050049.db2.gz FCZPKILRFWWBLV-UHFFFAOYSA-N 0 3 346.540 4.078 40 0 EIABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccccc1 ZINC000019590194 212048451 /nfs/dbraw/zinc/04/84/51/212048451.db2.gz NFFQPVCVVPHLFC-YPAWHYETSA-N 0 3 348.490 4.169 40 0 EIABHN Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)cc1C ZINC000004857038 210303499 /nfs/dbraw/zinc/30/34/99/210303499.db2.gz LVWKBDNUMXTIGX-JLYLLQBASA-N 0 3 343.540 4.138 40 0 EIABHN O[C@H]1c2c(ccc3ccccc32)CC[C@@H]1[C@H]1NCCc2ccccc21 ZINC000001569676 563392779 /nfs/dbraw/zinc/39/27/79/563392779.db2.gz NXHJGRJQTMOMRC-AKIFATBCSA-N 0 3 329.443 4.323 40 0 EIABHN COc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000027344046 563895317 /nfs/dbraw/zinc/89/53/17/563895317.db2.gz WDZHCKJSXGKYLB-UHFFFAOYSA-N 0 3 338.451 4.179 40 0 EIABHN O=C(Nc1cccc(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000039755874 563900640 /nfs/dbraw/zinc/90/06/40/563900640.db2.gz CGYXYDKDXMBDOM-UHFFFAOYSA-N 0 3 328.843 4.191 40 0 EIABHN CCSC1(SCC)C(=O)OC2=C(CCCCCC2)[C@@H]1N(C)C ZINC000031759756 563912941 /nfs/dbraw/zinc/91/29/41/563912941.db2.gz WZZPXQRNDMHZDV-HNNXBMFYSA-N 0 3 343.558 4.284 40 0 EIABHN c1ccc(CN[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000031923728 563913228 /nfs/dbraw/zinc/91/32/28/563913228.db2.gz ACMFQJCYOBJMBZ-HXUWFJFHSA-N 0 3 331.415 4.489 40 0 EIABHN CC(C)CN1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214502 563984797 /nfs/dbraw/zinc/98/47/97/563984797.db2.gz KIFPJZNLVYAMDU-INIZCTEOSA-N 0 3 333.476 4.246 40 0 EIABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 ZINC000072214571 563984846 /nfs/dbraw/zinc/98/48/46/563984846.db2.gz ZSOGPCVLWALPEA-MRXNPFEDSA-N 0 3 333.476 4.294 40 0 EIABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC)cn1 ZINC000072214635 563984876 /nfs/dbraw/zinc/98/48/76/563984876.db2.gz HIVVOQJZYOAFKF-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1)C1CCC1 ZINC000072215515 563985266 /nfs/dbraw/zinc/98/52/66/563985266.db2.gz AGUGXOKHGLNMQQ-MRXNPFEDSA-N 0 3 331.460 4.190 40 0 EIABHN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000005788602 564006085 /nfs/dbraw/zinc/00/60/85/564006085.db2.gz JTFAPYUEBOLXAA-HSROGRKHSA-N 0 3 333.516 4.176 40 0 EIABHN Cc1ncsc1CN1CCC(C)(c2nc(C)n3ccsc23)CC1 ZINC000257301327 564055110 /nfs/dbraw/zinc/05/51/10/564055110.db2.gz RXYWPFMJJRLVEJ-UHFFFAOYSA-N 0 3 346.525 4.023 40 0 EIABHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000026781115 564057181 /nfs/dbraw/zinc/05/71/81/564057181.db2.gz OBRMJGDRGTWSPH-IEBWSBKVSA-N 0 3 341.495 4.383 40 0 EIABHN CN1CC[C@H](C(=O)c2ccccn2)[C@H](CCc2cccc(Cl)c2)C1 ZINC000584577179 564086142 /nfs/dbraw/zinc/08/61/42/564086142.db2.gz BAPXIHGKPWBXOG-AEFFLSMTSA-N 0 3 342.870 4.118 40 0 EIABHN c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CC[C@@H]4CCCC[C@H]4C3)c2c1 ZINC000019345163 564127988 /nfs/dbraw/zinc/12/79/88/564127988.db2.gz CGLBQXCRGUSAEM-BXWFABGCSA-N 0 3 339.483 4.427 40 0 EIABHN C[C@@H]1CCN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)[C@@H]1C ZINC000004416272 210191009 /nfs/dbraw/zinc/19/10/09/210191009.db2.gz DFNGAFHVTDGQKG-QCFAMHMHSA-N 0 3 341.495 4.400 40 0 EIABHN C[C@@H]1CCN(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C1 ZINC000004416837 210190822 /nfs/dbraw/zinc/19/08/22/210190822.db2.gz XILWIKWHCRBAJH-HOJAQTOUSA-N 0 3 327.468 4.012 40 0 EIABHN C[C@@H]1[C@@H](C)CCN1CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004416273 210190508 /nfs/dbraw/zinc/19/05/08/210190508.db2.gz DFNGAFHVTDGQKG-YHELAOLJSA-N 0 3 341.495 4.400 40 0 EIABHN CCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833658 213228383 /nfs/dbraw/zinc/22/83/83/213228383.db2.gz ZQUAHHRAKCPHJT-GOSISDBHSA-N 0 3 340.442 4.239 40 0 EIABHN Cc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358608 216166317 /nfs/dbraw/zinc/16/63/17/216166317.db2.gz MRRDXKDFGKASBF-IBGZPJMESA-N 0 3 344.462 4.227 40 0 EIABHN Cc1cccc(-c2cccc([C@@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 ZINC000072349950 216160126 /nfs/dbraw/zinc/16/01/26/216160126.db2.gz BQBMDYBDYWURBZ-HXUWFJFHSA-N 0 3 346.478 4.170 40 0 EIABHN C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(CC2CC2)C1 ZINC000257242526 244249023 /nfs/dbraw/zinc/24/90/23/244249023.db2.gz ICYUFKKSBBULQQ-FQEVSTJZSA-N 0 3 328.431 4.168 40 0 EIABHN Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccc(F)cc3)C2)n1 ZINC000257261988 244351217 /nfs/dbraw/zinc/35/12/17/244351217.db2.gz LJOBWAGTQBWDSD-INIZCTEOSA-N 0 3 337.398 4.174 40 0 EIABHN Cc1noc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccccc2F)c1C ZINC000019558099 212042720 /nfs/dbraw/zinc/04/27/20/212042720.db2.gz VCMCCADDKVTICR-KRWDZBQOSA-N 0 3 340.402 4.158 40 0 EIABHN COc1cccc(CN2CCC[C@@H](c3nc(C)n4ccccc34)C2)c1 ZINC000019240675 212009111 /nfs/dbraw/zinc/00/91/11/212009111.db2.gz IPVDFBTZSLAHSX-GOSISDBHSA-N 0 3 335.451 4.031 40 0 EIABHN COc1ccc(C2(NCc3ccccc3-n3cccn3)CCCC2)cc1 ZINC000012328821 211348806 /nfs/dbraw/zinc/34/88/06/211348806.db2.gz FMPWKSIMQCODCY-UHFFFAOYSA-N 0 3 347.462 4.440 40 0 EIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cccc(O)c2)s1 ZINC000012116698 211296503 /nfs/dbraw/zinc/29/65/03/211296503.db2.gz YLQWYNUXZHDUIU-UHFFFAOYSA-N 0 3 341.480 4.051 40 0 EIABHN Cc1ccc(CN2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)s1 ZINC000096221811 218698245 /nfs/dbraw/zinc/69/82/45/218698245.db2.gz LTXDYEJQIJMKCI-SFHVURJKSA-N 0 3 343.492 4.259 40 0 EIABHN Cc1cc(/C=C\c2cc[n+](C)c3ccccc23)c([O-])c2ncccc12 ZINC000004900400 210316773 /nfs/dbraw/zinc/31/67/73/210316773.db2.gz LUNLWEDILJFNBX-UHFFFAOYSA-O 0 3 327.407 4.397 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 ZINC000039773472 257854479 /nfs/dbraw/zinc/85/44/79/257854479.db2.gz ZZOPCFNNWNWOLC-UHFFFAOYSA-N 0 3 342.527 4.436 40 0 EIABHN CCc1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000009063093 257862280 /nfs/dbraw/zinc/86/22/80/257862280.db2.gz HHCATHCGWSRBPI-UHFFFAOYSA-N 0 3 336.479 4.408 40 0 EIABHN COc1cc2c(cc1O)[C@@H](CCc1ccc(Cl)cc1)N(C)CC2 ZINC000001998269 563417654 /nfs/dbraw/zinc/41/76/54/563417654.db2.gz DSTWURHEHMZWEI-QGZVFWFLSA-N 0 3 331.843 4.216 40 0 in-vitro EIABHN O=C(/C=C/c1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000007849878 563616567 /nfs/dbraw/zinc/61/65/67/563616567.db2.gz ZJLKJVCUQCYFJT-BUHFOSPRSA-N 0 3 334.463 4.002 40 0 EIABHN O=C(Nc1ccccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039758262 563901079 /nfs/dbraw/zinc/90/10/79/563901079.db2.gz WVBWWUOYELVSPR-UHFFFAOYSA-N 0 3 346.833 4.330 40 0 EIABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 ZINC000072214617 563984879 /nfs/dbraw/zinc/98/48/79/563984879.db2.gz HNIICQCWQHLVEM-INIZCTEOSA-N 0 3 333.476 4.388 40 0 EIABHN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1)C1CCC1 ZINC000072215514 563985256 /nfs/dbraw/zinc/98/52/56/563985256.db2.gz AGUGXOKHGLNMQQ-INIZCTEOSA-N 0 3 331.460 4.190 40 0 EIABHN CCOc1cc(CNCCOC)ccc1OCc1ccccc1Cl ZINC000008254693 564016022 /nfs/dbraw/zinc/01/60/22/564016022.db2.gz RUQQWFQPLCLTEA-UHFFFAOYSA-N 0 3 349.858 4.054 40 0 EIABHN COC(=O)c1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1 ZINC000022076811 564034212 /nfs/dbraw/zinc/03/42/12/564034212.db2.gz FIJKPPVHLSTCAZ-UHFFFAOYSA-N 0 3 335.403 4.066 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)NCC3CCCCC3)cc2)CC1 ZINC000224332488 564042414 /nfs/dbraw/zinc/04/24/14/564042414.db2.gz CQNRKWHMCWZKCG-UHFFFAOYSA-N 0 3 328.500 4.229 40 0 EIABHN c1csc(-c2ccc3nc([C@@H]4CCCN(CC5CC5)C4)nn3c2)c1 ZINC000306142912 564062383 /nfs/dbraw/zinc/06/23/83/564062383.db2.gz XOBHPHIINAUCTR-MRXNPFEDSA-N 0 3 338.480 4.047 40 0 EIABHN CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)C ZINC000001842151 564088778 /nfs/dbraw/zinc/08/87/78/564088778.db2.gz YCRFSKUCDBJWLX-HUUCEWRRSA-N 0 3 329.271 4.219 40 0 in-man EIABHN CC1(C)CCCN1CCOC(=O)[C@H]([C@H]1C=CCC1)[C@H]1C=CCCC1 ZINC000004410938 210188806 /nfs/dbraw/zinc/18/88/06/210188806.db2.gz VBVWXWCTRUOHLX-FHWLQOOXSA-N 0 3 331.500 4.343 40 0 EIABHN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833475 213227664 /nfs/dbraw/zinc/22/76/64/213227664.db2.gz UGJVWXBCLOIOCB-GOSISDBHSA-N 0 3 340.442 4.293 40 0 EIABHN Fc1ccc2oc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000035446905 213028891 /nfs/dbraw/zinc/02/88/91/213028891.db2.gz RYSXPHMUGNAKMZ-LBPRGKRZSA-N 0 3 332.325 4.235 40 0 biogenic,in-vitro EIABHN Fc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358576 216165994 /nfs/dbraw/zinc/16/59/94/216165994.db2.gz FEWNBQXSSHAZST-SFHVURJKSA-N 0 3 348.425 4.057 40 0 EIABHN c1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348936 216161085 /nfs/dbraw/zinc/16/10/85/216161085.db2.gz GPXNHZFXLJMJJB-HXUWFJFHSA-N 0 3 343.474 4.447 40 0 EIABHN CC(C)c1nccn1-c1cncc([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000072378666 216181276 /nfs/dbraw/zinc/18/12/76/216181276.db2.gz BIZHFRNUWHXQEJ-IBGZPJMESA-N 0 3 347.466 4.123 40 0 EIABHN Cc1cc(C)n(C2CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)n1 ZINC000019659011 212054275 /nfs/dbraw/zinc/05/42/75/212054275.db2.gz UYDFGRBOFPKSOK-UHFFFAOYSA-N 0 3 339.483 4.051 40 0 EIABHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@@H](C)Cc1ccccn1 ZINC000012148180 211308390 /nfs/dbraw/zinc/30/83/90/211308390.db2.gz RZXKASRTKVVAHW-KRWDZBQOSA-N 0 3 348.494 4.256 40 0 EIABHN Cc1cc(-c2noc([C@@H]3CCCN3)n2)cc(C)c1OCc1ccccc1 ZINC000095095429 218280826 /nfs/dbraw/zinc/28/08/26/218280826.db2.gz OVDJUQYUOICPAP-SFHVURJKSA-N 0 3 349.434 4.357 40 0 EIABHN C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008535062 210963798 /nfs/dbraw/zinc/96/37/98/210963798.db2.gz YUJYJMOZWOFBAR-GFCCVEGCSA-N 0 3 340.250 4.043 40 0 EIABHN CCC(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257211652 535305471 /nfs/dbraw/zinc/30/54/71/535305471.db2.gz BZSQTJRWUOYMTO-HNNXBMFYSA-N 0 3 341.430 4.389 40 0 EIABHN CN(C)CCO[C@](C)(c1ccccc1)c1ccc(Br)cc1 ZINC000000000246 563211390 /nfs/dbraw/zinc/21/13/90/563211390.db2.gz URSRSKSNFPUKGH-GOSISDBHSA-N 0 3 348.284 4.291 40 0 in-man EIABHN C[C@@]1(CN2CCCCC2)COc2c(Cl)cc(Cl)cc2C1=O ZINC000001589157 563395017 /nfs/dbraw/zinc/39/50/17/563395017.db2.gz YGBVBZDKRPFWNT-MRXNPFEDSA-N 0 3 328.239 4.061 40 0 EIABHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccc4ccccc43)O2)n1 ZINC000096040884 563977981 /nfs/dbraw/zinc/97/79/81/563977981.db2.gz OEYHVOAARFWUHQ-AQNXPRMDSA-N 0 3 349.434 4.026 40 0 EIABHN c1cc(CN2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)cs1 ZINC000096047848 563978326 /nfs/dbraw/zinc/97/83/26/563978326.db2.gz RLZFCOIUXSHENL-LJQANCHMSA-N 0 3 343.492 4.088 40 0 EIABHN c1cc(CN2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)cs1 ZINC000096047849 563978369 /nfs/dbraw/zinc/97/83/69/563978369.db2.gz RLZFCOIUXSHENL-IBGZPJMESA-N 0 3 343.492 4.088 40 0 EIABHN CC(C)N1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214458 563984763 /nfs/dbraw/zinc/98/47/63/563984763.db2.gz BSWGDKWDLUSTNH-MRXNPFEDSA-N 0 3 333.476 4.388 40 0 EIABHN CCCN1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214456 563984769 /nfs/dbraw/zinc/98/47/69/563984769.db2.gz KFAGRCPORBYQAP-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000005788603 564006079 /nfs/dbraw/zinc/00/60/79/564006079.db2.gz JTFAPYUEBOLXAA-LXDWIVHCSA-N 0 3 333.516 4.176 40 0 EIABHN COCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008469121 564016339 /nfs/dbraw/zinc/01/63/39/564016339.db2.gz MUANPFGAKWLSSY-UHFFFAOYSA-N 0 3 340.250 4.308 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000009063164 564016607 /nfs/dbraw/zinc/01/66/07/564016607.db2.gz UREIHQQEAACLEX-UHFFFAOYSA-N 0 3 344.405 4.124 40 0 EIABHN Cc1noc(C)c1-c1cc(C2CCN(Cc3ccncc3)CC2)ccn1 ZINC000257290444 564054894 /nfs/dbraw/zinc/05/48/94/564054894.db2.gz QCZFWHCENWCUON-UHFFFAOYSA-N 0 3 348.450 4.128 40 0 EIABHN C[C@H](CN1CCC[C@@H](n2c3ccccc3oc2=O)C1)c1ccccc1 ZINC000012119146 564127866 /nfs/dbraw/zinc/12/78/66/564127866.db2.gz QZBANVDLACHLEC-SJLPKXTDSA-N 0 3 336.435 4.035 40 0 EIABHN Fc1ccc2[nH]c([C@H]3CCN(Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000035446591 213028676 /nfs/dbraw/zinc/02/86/76/213028676.db2.gz YKWBVMSKVHRDJR-ZDUSSCGKSA-N 0 3 329.806 4.345 40 0 biogenic,in-vitro EIABHN Cc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072358563 216165946 /nfs/dbraw/zinc/16/59/46/216165946.db2.gz DXSQOAUITVYQKD-HXUWFJFHSA-N 0 3 344.462 4.227 40 0 EIABHN Cc1cccc(-c2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 ZINC000072349951 216160496 /nfs/dbraw/zinc/16/04/96/216160496.db2.gz BQBMDYBDYWURBZ-FQEVSTJZSA-N 0 3 346.478 4.170 40 0 EIABHN Clc1ccccc1CN1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369818 216177209 /nfs/dbraw/zinc/17/72/09/216177209.db2.gz OZXOTQMGYZXBPC-INIZCTEOSA-N 0 3 339.826 4.380 40 0 EIABHN CCc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000072379083 216180712 /nfs/dbraw/zinc/18/07/12/216180712.db2.gz WCRMGQMGHXLGKM-IBGZPJMESA-N 0 3 332.451 4.167 40 0 EIABHN CCc1nccn1-c1cccc([C@H]2CCCN2Cc2ccccc2)n1 ZINC000072379084 216180860 /nfs/dbraw/zinc/18/08/60/216180860.db2.gz WCRMGQMGHXLGKM-LJQANCHMSA-N 0 3 332.451 4.167 40 0 EIABHN CCOc1ccc(Cl)cc1CNCCc1ccc(OC)c(OC)c1 ZINC000022074386 212275574 /nfs/dbraw/zinc/27/55/74/212275574.db2.gz WWHSZRNZQFUMAI-UHFFFAOYSA-N 0 3 349.858 4.088 40 0 EIABHN COc1ccccc1C1(NCc2n[nH]nc2-c2ccccc2)CCCC1 ZINC000019569173 212043368 /nfs/dbraw/zinc/04/33/68/212043368.db2.gz MARYVZWFAADOSY-UHFFFAOYSA-N 0 3 348.450 4.039 40 0 EIABHN c1csc(-c2nnc(C3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000019371883 212022675 /nfs/dbraw/zinc/02/26/75/212022675.db2.gz IJLRBKRPASUTMM-UHFFFAOYSA-N 0 3 325.437 4.178 40 0 EIABHN Cc1cc(-c2cn[nH]c2[C@@H]2CCCCN2CC2CCCCC2)on1 ZINC000019120879 212000668 /nfs/dbraw/zinc/00/06/68/212000668.db2.gz XTZVRHSCAKOCRD-KRWDZBQOSA-N 0 3 328.460 4.480 40 0 EIABHN C=Cc1ccc(CN2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119082 211298052 /nfs/dbraw/zinc/29/80/52/211298052.db2.gz XZUGLSUENHORLW-GOSISDBHSA-N 0 3 334.419 4.075 40 0 EIABHN CC(C)OCCCN(Cc1ccc2ncccc2c1)Cc1ccccn1 ZINC000012118138 211297191 /nfs/dbraw/zinc/29/71/91/211297191.db2.gz SITWOXNIBKIDJU-UHFFFAOYSA-N 0 3 349.478 4.447 40 0 EIABHN S=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)N2C1CC1 ZINC000004886624 210312021 /nfs/dbraw/zinc/31/20/21/210312021.db2.gz YUJLCEAQWFDVFW-ZXFUBFMLSA-N 0 3 349.931 4.174 40 0 EIABHN C=CNCCc1nc2ccccc2n1CCOc1ccccc1Cl ZINC000005235852 563524088 /nfs/dbraw/zinc/52/40/88/563524088.db2.gz SQAKIIXHQJLJNW-UHFFFAOYSA-N 0 3 341.842 4.044 40 0 EIABHN CC[C@@H](C)c1ccccc1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000006355908 563565620 /nfs/dbraw/zinc/56/56/20/563565620.db2.gz YSBWPYOHMLOJIM-ZIFCJYIRSA-N 0 3 327.468 4.291 40 0 EIABHN C[C@@H]1CCCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)C1 ZINC000013668827 563708171 /nfs/dbraw/zinc/70/81/71/563708171.db2.gz CFGSGSPULYIXHA-GOSISDBHSA-N 0 3 348.490 4.117 40 0 EIABHN Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CCN2CC(C)C)C1 ZINC000585101865 563971463 /nfs/dbraw/zinc/97/14/63/563971463.db2.gz JLIALHQJFPDFIQ-NRFANRHFSA-N 0 3 346.515 4.222 40 0 EIABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 ZINC000072214634 563984844 /nfs/dbraw/zinc/98/48/44/563984844.db2.gz HIVVOQJZYOAFKF-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 ZINC000072214964 563985042 /nfs/dbraw/zinc/98/50/42/563985042.db2.gz XPFGMUNPFZGCQG-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CCC[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000006324843 563992231 /nfs/dbraw/zinc/99/22/31/563992231.db2.gz OBZPODHXSNSOQP-QGZVFWFLSA-N 0 3 336.479 4.163 40 0 EIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccsc2)s1 ZINC000013991334 564020836 /nfs/dbraw/zinc/02/08/36/564020836.db2.gz YAAVWYXYNNLAHD-UHFFFAOYSA-N 0 3 331.510 4.407 40 0 EIABHN COc1ccc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)cc1 ZINC000013998283 564020873 /nfs/dbraw/zinc/02/08/73/564020873.db2.gz HDWBIWGUFKWWLK-UHFFFAOYSA-N 0 3 347.462 4.440 40 0 EIABHN COc1ccc([C@H]2CC(N)=NN2c2ccc(Cl)cc2Cl)cc1 ZINC000222547551 564036930 /nfs/dbraw/zinc/03/69/30/564036930.db2.gz GKOGTZXPAJJIHA-OAHLLOKOSA-N 0 3 336.222 4.226 40 0 EIABHN CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000224525535 564043046 /nfs/dbraw/zinc/04/30/46/564043046.db2.gz GTQVAXCCVNOXPA-SFHVURJKSA-N 0 3 330.516 4.231 40 0 EIABHN CC(C)N1CCC[C@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257291625 564054861 /nfs/dbraw/zinc/05/48/61/564054861.db2.gz QHXCZYAGGFTMRH-KRWDZBQOSA-N 0 3 343.471 4.286 40 0 EIABHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000026781117 564057178 /nfs/dbraw/zinc/05/71/78/564057178.db2.gz OBRMJGDRGTWSPH-PKOBYXMFSA-N 0 3 341.495 4.383 40 0 EIABHN CC[C@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C)n1 ZINC000329027008 564071687 /nfs/dbraw/zinc/07/16/87/564071687.db2.gz PQAKWOVEDHUTPD-LBPRGKRZSA-N 0 3 330.863 4.212 40 0 EIABHN Cc1nc(NC2CCCC2)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000329051899 564071949 /nfs/dbraw/zinc/07/19/49/564071949.db2.gz UYRRMIXSRWADQA-UHFFFAOYSA-N 0 3 342.874 4.356 40 0 EIABHN CN1CC[C@@H](C(=O)c2ccccn2)[C@H](CCc2cccc(Cl)c2)C1 ZINC000584577185 564086148 /nfs/dbraw/zinc/08/61/48/564086148.db2.gz BAPXIHGKPWBXOG-SJLPKXTDSA-N 0 3 342.870 4.118 40 0 EIABHN CN(C)Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)c2ccccc12 ZINC000228928101 564118145 /nfs/dbraw/zinc/11/81/45/564118145.db2.gz JXUDSRICVHOYIT-UHFFFAOYSA-N 0 3 333.357 4.293 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)N3CCCc4ccccc43)CC2)c1 ZINC000009062585 564127621 /nfs/dbraw/zinc/12/76/21/564127621.db2.gz MRJYPPIPMFUIKQ-UHFFFAOYSA-N 0 3 348.490 4.186 40 0 EIABHN Cc1cc2nc(CO[C@H]3CN(C4CCCCC4)C[C@H]3F)[nH]c2cc1C ZINC000096112335 564145392 /nfs/dbraw/zinc/14/53/92/564145392.db2.gz LFBLJAYSWQPIIL-APWZRJJASA-N 0 3 345.462 4.051 40 0 biogenic,in-vitro EIABHN C[C@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004416233 210191360 /nfs/dbraw/zinc/19/13/60/210191360.db2.gz IVQGMURVQGDFDP-HOJAQTOUSA-N 0 3 327.468 4.154 40 0 EIABHN Cc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000039768587 213242764 /nfs/dbraw/zinc/24/27/64/213242764.db2.gz AOLZPOUVHZZLSB-UHFFFAOYSA-N 0 3 340.442 4.293 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000039762915 213242784 /nfs/dbraw/zinc/24/27/84/213242784.db2.gz FURDGEVMOIUPQI-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN Cc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1C ZINC000039755414 213241989 /nfs/dbraw/zinc/24/19/89/213241989.db2.gz YFUFPYOCAWIVBK-UHFFFAOYSA-N 0 3 340.442 4.293 40 0 EIABHN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833770 213228368 /nfs/dbraw/zinc/22/83/68/213228368.db2.gz SVWALLMTQFUFIT-OAHLLOKOSA-N 0 3 346.833 4.330 40 0 EIABHN Fc1ccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000072358572 216166029 /nfs/dbraw/zinc/16/60/29/216166029.db2.gz GCBYFFBIXAYJNW-GOSISDBHSA-N 0 3 348.425 4.057 40 0 EIABHN O=c1[nH]c(C2CCN(Cc3ccc(F)cc3)CC2)cc2ccccc21 ZINC000072360991 216167430 /nfs/dbraw/zinc/16/74/30/216167430.db2.gz YHNLOPDAFIEJMB-UHFFFAOYSA-N 0 3 336.410 4.459 40 0 EIABHN CC[C@@H]1c2ccsc2CCN1Cc1cccc(OCCOC)c1 ZINC000019501002 212033543 /nfs/dbraw/zinc/03/35/43/212033543.db2.gz MJHDXHCGSGLKMX-GOSISDBHSA-N 0 3 331.481 4.283 40 0 EIABHN Fc1ccc(F)c(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346899 212019123 /nfs/dbraw/zinc/01/91/23/212019123.db2.gz GBIXXNFFRHLELU-CQSZACIVSA-N 0 3 327.378 4.221 40 0 EIABHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@H](C)Cc1ccccn1 ZINC000012148181 211307196 /nfs/dbraw/zinc/30/71/96/211307196.db2.gz RZXKASRTKVVAHW-QGZVFWFLSA-N 0 3 348.494 4.256 40 0 EIABHN Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)c1 ZINC000004857047 210303606 /nfs/dbraw/zinc/30/36/06/210303606.db2.gz OUDSDUSDOYPVJM-JLYLLQBASA-N 0 3 343.540 4.138 40 0 EIABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 ZINC000072214544 257689725 /nfs/dbraw/zinc/68/97/25/257689725.db2.gz DGGPQGNLJWAWQK-MRXNPFEDSA-N 0 3 333.476 4.246 40 0 EIABHN CN1CCN(c2c3c(nc4ccccc42)[C@@]2(C)CC[C@@H]3C2(C)C)CC1 ZINC000000214975 563261943 /nfs/dbraw/zinc/26/19/43/563261943.db2.gz GRIFRVOZXAODGO-KSFYIVLOSA-N 0 3 335.495 4.162 40 0 EIABHN COC(OCCN1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001593600 563395096 /nfs/dbraw/zinc/39/50/96/563395096.db2.gz UBLLPQUSFVAOFX-UHFFFAOYSA-N 0 3 325.452 4.037 40 0 EIABHN COc1ccc(C(=O)[C@@H](C)C(C)=N)c(OCc2ccccc2)c1OC ZINC000001699620 563404738 /nfs/dbraw/zinc/40/47/38/563404738.db2.gz GKQGFVVZPBBXNM-ZDUSSCGKSA-N 0 3 341.407 4.141 40 0 EIABHN CN(C)CCSCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001726173 563407715 /nfs/dbraw/zinc/40/77/15/563407715.db2.gz BNDTYYBICAEFAM-UHFFFAOYSA-N 0 3 344.505 4.111 40 0 EIABHN C[C@H](O)CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008498040 563631670 /nfs/dbraw/zinc/63/16/70/563631670.db2.gz CDGOIMYJMMBEHS-LBPRGKRZSA-N 0 3 340.250 4.043 40 0 EIABHN Cc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1C ZINC000012668399 563667477 /nfs/dbraw/zinc/66/74/77/563667477.db2.gz TUXFIRCRIFBQOB-UHFFFAOYSA-N 0 3 348.450 4.128 40 0 EIABHN O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039759327 563901183 /nfs/dbraw/zinc/90/11/83/563901183.db2.gz GSQDHPKOPUMIGA-UHFFFAOYSA-N 0 3 346.833 4.330 40 0 EIABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220967 563901715 /nfs/dbraw/zinc/90/17/15/563901715.db2.gz UOLZQYUFLNWUFH-KRWDZBQOSA-N 0 3 342.870 4.499 40 0 EIABHN Cc1ccc(CN2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)s1 ZINC000096047590 563978237 /nfs/dbraw/zinc/97/82/37/563978237.db2.gz UMZTVAXUZKMHBU-HKUYNNGSSA-N 0 3 346.471 4.041 40 0 EIABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 ZINC000072215139 563985143 /nfs/dbraw/zinc/98/51/43/563985143.db2.gz XZRSLGYVXSYSAS-GDBMZVCRSA-N 0 3 333.476 4.436 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000009063135 564016641 /nfs/dbraw/zinc/01/66/41/564016641.db2.gz CAPDWZBNYATXLI-UHFFFAOYSA-N 0 3 344.405 4.124 40 0 EIABHN CC(C)Cc1ncc(-c2cncc([C@@H]3CCCN3C(C)C)n2)s1 ZINC000257326790 564055497 /nfs/dbraw/zinc/05/54/97/564055497.db2.gz WYOUNYXSVUFWAW-INIZCTEOSA-N 0 3 330.501 4.344 40 0 EIABHN c1csc(-c2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)c1 ZINC000306132740 564062264 /nfs/dbraw/zinc/06/22/64/564062264.db2.gz LQSGLVFEBYNAMX-OAHLLOKOSA-N 0 3 338.480 4.190 40 0 EIABHN C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C/[C@H]3CCC[C@@H](C)N3C)[C@H]21 ZINC000004430038 210192762 /nfs/dbraw/zinc/19/27/62/210192762.db2.gz FMPNFDSPHNUFOS-YIZHNRPYSA-N 0 3 345.527 4.419 40 0 EIABHN C[C@H](CN1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004416235 210190636 /nfs/dbraw/zinc/19/06/36/210190636.db2.gz IVQGMURVQGDFDP-YZGWKJHDSA-N 0 3 327.468 4.154 40 0 EIABHN CCN1CCC[C@@H](OC(=O)[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000004404244 210187719 /nfs/dbraw/zinc/18/77/19/210187719.db2.gz STKLCHRMHCBUCQ-UXHICEINSA-N 0 3 329.484 4.378 40 0 EIABHN CC(C)C(NC(=O)c1ccc(CN2CCC(C)CC2)cc1)C(C)C ZINC000038849201 213228186 /nfs/dbraw/zinc/22/81/86/213228186.db2.gz QVGZTCCLYJYONY-UHFFFAOYSA-N 0 3 330.516 4.329 40 0 EIABHN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000038833223 213227267 /nfs/dbraw/zinc/22/72/67/213227267.db2.gz WXSHICATMWZEPL-QGZVFWFLSA-N 0 3 342.870 4.499 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)CC1 ZINC000038772305 213225134 /nfs/dbraw/zinc/22/51/34/213225134.db2.gz QBMYRRUZPXOVBU-UHFFFAOYSA-N 0 3 326.415 4.310 40 0 EIABHN c1ccc(Cc2cccc(C3CCN(Cc4ccncc4)CC3)n2)cc1 ZINC000072348810 216160505 /nfs/dbraw/zinc/16/05/05/216160505.db2.gz TZSHNJFVJCYIBI-UHFFFAOYSA-N 0 3 343.474 4.447 40 0 EIABHN CC1(C)CCCN1CCOC(=O)[C@@H]([C@H]1C=CCC1)[C@H]1C=CCCC1 ZINC000001683417 563403172 /nfs/dbraw/zinc/40/31/72/563403172.db2.gz VBVWXWCTRUOHLX-GBESFXJTSA-N 0 3 331.500 4.343 40 0 EIABHN O=C(CCCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccccc1 ZINC000005104055 563520821 /nfs/dbraw/zinc/52/08/21/563520821.db2.gz SOOGRYSPVROLLT-OAQYLSRUSA-N 0 3 348.490 4.177 40 0 EIABHN Cc1ccc(C)c(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000007849988 563616548 /nfs/dbraw/zinc/61/65/48/563616548.db2.gz RRIUZCQPJCESLM-UHFFFAOYSA-N 0 3 336.479 4.219 40 0 EIABHN Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220940 563901728 /nfs/dbraw/zinc/90/17/28/563901728.db2.gz DBORCEXPXAUADP-KRWDZBQOSA-N 0 3 342.870 4.499 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000030938439 563911815 /nfs/dbraw/zinc/91/18/15/563911815.db2.gz NOAGZZNPXDQWOU-UHFFFAOYSA-N 0 3 344.405 4.449 40 0 EIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(O)cc2)s1 ZINC000043277867 563925624 /nfs/dbraw/zinc/92/56/24/563925624.db2.gz SXKILRZKNQXJBY-UHFFFAOYSA-N 0 3 341.480 4.051 40 0 EIABHN CN(C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000044910211 563928267 /nfs/dbraw/zinc/92/82/67/563928267.db2.gz UKBCOMFATOWYLQ-QGZVFWFLSA-N 0 3 342.870 4.215 40 0 EIABHN Cc1ccc(CN2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)s1 ZINC000096221813 563980494 /nfs/dbraw/zinc/98/04/94/563980494.db2.gz LTXDYEJQIJMKCI-GOSISDBHSA-N 0 3 343.492 4.259 40 0 EIABHN Cc1cccc(O[C@@H]2CCC[C@H](NCc3ccccc3Cl)[C@H]2O)c1 ZINC000585288682 563982062 /nfs/dbraw/zinc/98/20/62/563982062.db2.gz HLMHMWFKQWCBCQ-XUVXKRRUSA-N 0 3 345.870 4.099 40 0 EIABHN COc1cc(CN(CCc2ccccc2)Cc2ccncc2)ccc1O ZINC000013990004 563982382 /nfs/dbraw/zinc/98/23/82/563982382.db2.gz QZLOVOLIXGBEMK-UHFFFAOYSA-N 0 3 348.446 4.041 40 0 EIABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072214693 563984906 /nfs/dbraw/zinc/98/49/06/563984906.db2.gz FTLCNUDHCGATFD-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 ZINC000072215138 563985161 /nfs/dbraw/zinc/98/51/61/563985161.db2.gz XZRSLGYVXSYSAS-HOCLYGCPSA-N 0 3 333.476 4.436 40 0 EIABHN CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215428 563985279 /nfs/dbraw/zinc/98/52/79/563985279.db2.gz MULAJGLWUTVKFQ-MRXNPFEDSA-N 0 3 331.460 4.142 40 0 EIABHN CC(C)Cc1ncc(-c2cnc([C@H]3CCCN(C(C)C)C3)cn2)s1 ZINC000257283709 564054720 /nfs/dbraw/zinc/05/47/20/564054720.db2.gz OZMLMZZBVSGZAD-HNNXBMFYSA-N 0 3 344.528 4.386 40 0 EIABHN CCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257322164 564055442 /nfs/dbraw/zinc/05/54/42/564055442.db2.gz WEVBRBBICASEQX-OAHLLOKOSA-N 0 3 341.430 4.389 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000009062996 564127646 /nfs/dbraw/zinc/12/76/46/564127646.db2.gz YFNYEXPCGBIPQX-UHFFFAOYSA-N 0 3 342.870 4.499 40 0 EIABHN O=C(CNCCC1=CCCCC1)Nc1ccccc1N1CCCCC1 ZINC000004092889 210118653 /nfs/dbraw/zinc/11/86/53/210118653.db2.gz IYSBINBSQKCRER-UHFFFAOYSA-N 0 3 341.499 4.096 40 0 EIABHN O=C(Nc1ccccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038833771 213228394 /nfs/dbraw/zinc/22/83/94/213228394.db2.gz SVWALLMTQFUFIT-HNNXBMFYSA-N 0 3 346.833 4.330 40 0 EIABHN Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3C2CC2)c1 ZINC000035289757 213018609 /nfs/dbraw/zinc/01/86/09/213018609.db2.gz JMEJAVCGRBYYLP-ZNXRZULTSA-N 0 3 343.540 4.138 40 0 EIABHN c1cc2n(c1)-c1ccccc1NC21CCN(Cc2ccccc2)CC1 ZINC000019371902 212023283 /nfs/dbraw/zinc/02/32/83/212023283.db2.gz RWUFHXKGHCZRKH-UHFFFAOYSA-N 0 3 329.447 4.394 40 0 EIABHN CC(=O)Nc1ccc(CN2CCCCC[C@H]2c2cc(C)no2)cc1 ZINC000012120282 211298470 /nfs/dbraw/zinc/29/84/70/211298470.db2.gz XOSPKSYUNFGHQT-SFHVURJKSA-N 0 3 327.428 4.059 40 0 EIABHN O=c1oc2ccc(Cl)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000012119104 211297942 /nfs/dbraw/zinc/29/79/42/211297942.db2.gz QOUMHGOUPLVFOZ-MRXNPFEDSA-N 0 3 342.826 4.085 40 0 EIABHN Cc1ccc([C@H](O)CN2CCC(Oc3ccccc3F)CC2)c(C)c1 ZINC000019132380 257912627 /nfs/dbraw/zinc/91/26/27/257912627.db2.gz AWBJJOKBLWNPEA-HXUWFJFHSA-N 0 3 343.442 4.019 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)NC3CCCCCCC3)CC2)c1 ZINC000039761378 563900460 /nfs/dbraw/zinc/90/04/60/563900460.db2.gz ZEODZAANYKGEDW-UHFFFAOYSA-N 0 3 342.527 4.436 40 0 EIABHN CCCN1CCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214800 563984924 /nfs/dbraw/zinc/98/49/24/563984924.db2.gz QOFMXBISKRAHRL-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN Cc1nc(N2CCc3ccccc3C2)ccc1[C@@H](N)c1ccccc1 ZINC000072224942 563985864 /nfs/dbraw/zinc/98/58/64/563985864.db2.gz NZGOFMISNXKNNU-QFIPXVFZSA-N 0 3 329.447 4.001 40 0 EIABHN CC[C@]1(C)C[C@]2(CCCN(CCC(=O)c3ccccc3)C2)CCO1 ZINC000000343507 563996830 /nfs/dbraw/zinc/99/68/30/563996830.db2.gz HPAWIRFVASVWBY-RTWAWAEBSA-N 0 3 329.484 4.321 40 0 EIABHN Cn1c2ccccc2nc1[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000049171157 564032659 /nfs/dbraw/zinc/03/26/59/564032659.db2.gz GKFJRBWWKWQCKV-HNNXBMFYSA-N 0 3 325.843 4.216 40 0 biogenic,in-vitro EIABHN C[C@@H](O)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 ZINC000022108657 564034264 /nfs/dbraw/zinc/03/42/64/564034264.db2.gz VLDFAGCUTFJALJ-OAHLLOKOSA-N 0 3 339.410 4.471 40 0 EIABHN Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000026781121 564057226 /nfs/dbraw/zinc/05/72/26/564057226.db2.gz OBRMJGDRGTWSPH-HKUYNNGSSA-N 0 3 341.495 4.383 40 0 EIABHN OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1 ZINC000039199636 213232049 /nfs/dbraw/zinc/23/20/49/213232049.db2.gz GJTGVCFKLBBSNT-UHFFFAOYSA-N 0 3 335.369 4.189 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000038832920 213226891 /nfs/dbraw/zinc/22/68/91/213226891.db2.gz MBWXTIQRAUVKHZ-UHFFFAOYSA-N 0 3 336.479 4.191 40 0 EIABHN C[C@@H](CN1CCC[C@H](n2c3ccccc3oc2=O)C1)c1ccccc1 ZINC000072347843 216160306 /nfs/dbraw/zinc/16/03/06/216160306.db2.gz QZBANVDLACHLEC-WMZOPIPTSA-N 0 3 336.435 4.035 40 0 EIABHN c1ccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)cc1 ZINC000072348848 216161089 /nfs/dbraw/zinc/16/10/89/216161089.db2.gz NAAGFTREQCSCGT-UHFFFAOYSA-N 0 3 343.474 4.447 40 0 EIABHN c1ccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348937 216161149 /nfs/dbraw/zinc/16/11/49/216161149.db2.gz GPXNHZFXLJMJJB-FQEVSTJZSA-N 0 3 343.474 4.447 40 0 EIABHN C[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000022508508 212302383 /nfs/dbraw/zinc/30/23/83/212302383.db2.gz SOUQHXOGRIHXFA-SFHVURJKSA-N 0 3 336.479 4.410 40 0 EIABHN CCN(CC)CCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022075014 212276443 /nfs/dbraw/zinc/27/64/43/212276443.db2.gz NBRMPZIJAMIPFQ-UHFFFAOYSA-N 0 3 346.902 4.350 40 0 EIABHN Fc1cc(F)cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346897 212019943 /nfs/dbraw/zinc/01/99/43/212019943.db2.gz HCDMZZFXIXGGFR-HNNXBMFYSA-N 0 3 327.378 4.221 40 0 EIABHN O=C1CCCN1c1ccc(CNC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000012238713 211328636 /nfs/dbraw/zinc/32/86/36/211328636.db2.gz IKFZSAMLZMONOT-UHFFFAOYSA-N 0 3 340.854 4.246 40 0 EIABHN CC[C@H]1c2ccsc2CCN1Cc1ccc(OCCOC)cc1 ZINC000012241215 211328017 /nfs/dbraw/zinc/32/80/17/211328017.db2.gz JNCLGGQLGJPOQY-SFHVURJKSA-N 0 3 331.481 4.283 40 0 EIABHN CN(CCN1CCCCC1)C(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000005047931 210374477 /nfs/dbraw/zinc/37/44/77/210374477.db2.gz FONQVCVXPUIGHD-NRFANRHFSA-N 0 3 342.527 4.295 40 0 EIABHN Clc1cccc(CNCCCSc2ncccn2)c1Cl ZINC000004984155 210350185 /nfs/dbraw/zinc/35/01/85/210350185.db2.gz SWONSDNIXVDGDN-UHFFFAOYSA-N 0 3 328.268 4.055 40 0 EIABHN Clc1ccc(CNCCCSc2ncccn2)c(Cl)c1 ZINC000016546056 563814370 /nfs/dbraw/zinc/81/43/70/563814370.db2.gz CSTHTWGJAPYKLP-UHFFFAOYSA-N 0 3 328.268 4.055 40 0 EIABHN CCN(CC)CCOC(=O)C1[C@@H]2c3ccccc3-c3ccccc3[C@H]12 ZINC000001699488 563404707 /nfs/dbraw/zinc/40/47/07/563404707.db2.gz IEEYLWQONYFJSB-WCRBZPEASA-N 0 3 335.447 4.049 40 0 EIABHN CCOC(CNCc1cc(C)c2[nH]c3ccccc3c2c1C)OCC ZINC000001724135 563407269 /nfs/dbraw/zinc/40/72/69/563407269.db2.gz UYLFNXPBGVPVRB-UHFFFAOYSA-N 0 3 340.467 4.427 40 0 EIABHN CCCCOc1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1 ZINC000001918183 563416530 /nfs/dbraw/zinc/41/65/30/563416530.db2.gz ZFRUHWOKLDZUHB-UHFFFAOYSA-N 0 3 342.483 4.247 40 0 EIABHN CN(C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000044910213 563928251 /nfs/dbraw/zinc/92/82/51/563928251.db2.gz UKBCOMFATOWYLQ-KRWDZBQOSA-N 0 3 342.870 4.215 40 0 EIABHN FC1(F)CCN(Cc2cccs2)C[C@]12CCN(c1ccccc1)C2 ZINC000096051095 563978514 /nfs/dbraw/zinc/97/85/14/563978514.db2.gz LMQARNNWBIZAER-SFHVURJKSA-N 0 3 348.462 4.486 40 0 EIABHN CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215427 563985262 /nfs/dbraw/zinc/98/52/62/563985262.db2.gz MULAJGLWUTVKFQ-INIZCTEOSA-N 0 3 331.460 4.142 40 0 EIABHN c1coc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)c1 ZINC000049169535 564032591 /nfs/dbraw/zinc/03/25/91/564032591.db2.gz TUPQKNSCZPJWJE-AWEZNQCLSA-N 0 3 335.363 4.065 40 0 biogenic,in-vitro EIABHN CC(C)[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000225185133 564045326 /nfs/dbraw/zinc/04/53/26/564045326.db2.gz HZEWEJJPURCIII-KRWDZBQOSA-N 0 3 336.479 4.019 40 0 EIABHN CC(C)Cc1ncc(-c2cnc([C@@H]3CCCN(C(C)C)C3)cn2)s1 ZINC000257283710 564054715 /nfs/dbraw/zinc/05/47/15/564054715.db2.gz OZMLMZZBVSGZAD-OAHLLOKOSA-N 0 3 344.528 4.386 40 0 EIABHN c1csc(-c2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)c1 ZINC000306132739 564062270 /nfs/dbraw/zinc/06/22/70/564062270.db2.gz LQSGLVFEBYNAMX-HNNXBMFYSA-N 0 3 338.480 4.190 40 0 EIABHN c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC000253590099 564124674 /nfs/dbraw/zinc/12/46/74/564124674.db2.gz CGLBQXCRGUSAEM-GJYPPUQNSA-N 0 3 339.483 4.427 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000039763254 213241767 /nfs/dbraw/zinc/24/17/67/213241767.db2.gz RWBQDTVHNOOWAO-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN CC[C@@H]1COCCN1CCCc1ccc(COc2ccccc2)cc1 ZINC000038361134 213207586 /nfs/dbraw/zinc/20/75/86/213207586.db2.gz ADAPUGNVJGEFRO-OAQYLSRUSA-N 0 3 339.479 4.309 40 0 EIABHN Fc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358613 216165923 /nfs/dbraw/zinc/16/59/23/216165923.db2.gz AKDVVVQCSNAPNK-KRWDZBQOSA-N 0 3 348.425 4.057 40 0 EIABHN CCc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccsc2)n1 ZINC000072355670 216163462 /nfs/dbraw/zinc/16/34/62/216163462.db2.gz QGPJMLWNUZSLMO-KRWDZBQOSA-N 0 3 338.480 4.228 40 0 EIABHN COc1ccc(CCNCc2c(Cl)cccc2Cl)cc1OC ZINC000022074326 212275160 /nfs/dbraw/zinc/27/51/60/212275160.db2.gz LICFWJCZILUQPW-UHFFFAOYSA-N 0 3 340.250 4.343 40 0 EIABHN Fc1ccc(CN2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000019344829 212019470 /nfs/dbraw/zinc/01/94/70/212019470.db2.gz UHTJFKHJBSRYOQ-AWEZNQCLSA-N 0 3 343.427 4.317 40 0 EIABHN Cc1ccc2c(ccc(/C=C/c3ccc([O-])c4ncccc34)[n+]2C)c1 ZINC000004900201 210316422 /nfs/dbraw/zinc/31/64/22/210316422.db2.gz OCZQEOWNYSRLIQ-UHFFFAOYSA-O 0 3 327.407 4.397 40 0 EIABHN CCc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)N2C1CC1 ZINC000004856992 210303523 /nfs/dbraw/zinc/30/35/23/210303523.db2.gz AOZBCJWZWSBHKN-ZNXRZULTSA-N 0 3 343.540 4.083 40 0 EIABHN Clc1ccc(COc2ccc(CNC[C@H]3CCCO3)cc2)cc1 ZINC000016401553 563810560 /nfs/dbraw/zinc/81/05/60/563810560.db2.gz HSQQLSHUKQWREC-LJQANCHMSA-N 0 3 331.843 4.188 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000039758051 563901082 /nfs/dbraw/zinc/90/10/82/563901082.db2.gz NBQWDCMXPIUHNJ-UHFFFAOYSA-N 0 3 342.870 4.499 40 0 EIABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220962 563901707 /nfs/dbraw/zinc/90/17/07/563901707.db2.gz UOLZQYUFLNWUFH-QGZVFWFLSA-N 0 3 342.870 4.499 40 0 EIABHN c1ccc(CN[C@@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000031923729 563913181 /nfs/dbraw/zinc/91/31/81/563913181.db2.gz ACMFQJCYOBJMBZ-FQEVSTJZSA-N 0 3 331.415 4.489 40 0 EIABHN CC[C@H](C)c1ccccc1OC[C@H](O)CN[C@H](C)c1ccccc1 ZINC000245318991 563950316 /nfs/dbraw/zinc/95/03/16/563950316.db2.gz YSBWPYOHMLOJIM-YQVWRLOYSA-N 0 3 327.468 4.291 40 0 EIABHN Cc1cc(Nc2ncc(-c3ccccc3)s2)nc([C@@H]2CCCN2)n1 ZINC000585262865 563980891 /nfs/dbraw/zinc/98/08/91/563980891.db2.gz BGNHTUCHSFWGJO-AWEZNQCLSA-N 0 3 337.452 4.077 40 0 EIABHN CCCCN1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214503 563984734 /nfs/dbraw/zinc/98/47/34/563984734.db2.gz MWIZVTIQYJNGKD-MRXNPFEDSA-N 0 3 333.476 4.390 40 0 EIABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 ZINC000072214618 563984873 /nfs/dbraw/zinc/98/48/73/563984873.db2.gz HNIICQCWQHLVEM-MRXNPFEDSA-N 0 3 333.476 4.388 40 0 EIABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 ZINC000072214991 563985056 /nfs/dbraw/zinc/98/50/56/563985056.db2.gz AEMGWQQDLITIAF-MRXNPFEDSA-N 0 3 333.476 4.438 40 0 EIABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1)c1ccccc1 ZINC000001377821 564003543 /nfs/dbraw/zinc/00/35/43/564003543.db2.gz DZORMPAXYITINQ-AYHJJNSGSA-N 0 3 340.492 4.064 40 0 EIABHN c1ccc2[nH]c([C@H]3CCN(Cc4cnc5ccccc5c4)C3)nc2c1 ZINC000049169031 564032575 /nfs/dbraw/zinc/03/25/75/564032575.db2.gz RXCMTLZGJFIYIZ-KRWDZBQOSA-N 0 3 328.419 4.101 40 0 biogenic,in-vitro EIABHN CC(C)N1CCC[C@@H]1c1cccc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257291626 564054854 /nfs/dbraw/zinc/05/48/54/564054854.db2.gz QHXCZYAGGFTMRH-QGZVFWFLSA-N 0 3 343.471 4.286 40 0 EIABHN CN(C)C[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000002043272 564099362 /nfs/dbraw/zinc/09/93/62/564099362.db2.gz RVEVXAOGITYJOC-QFIPXVFZSA-N 0 3 331.459 4.268 40 0 EIABHN CCN1CCC[C@H](OC(=O)[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000004404243 210187366 /nfs/dbraw/zinc/18/73/66/210187366.db2.gz STKLCHRMHCBUCQ-PMACEKPBSA-N 0 3 329.484 4.378 40 0 EIABHN CC(C)c1nccn1-c1cncc([C@H]2CCCN2Cc2ccccc2)n1 ZINC000072378667 216180763 /nfs/dbraw/zinc/18/07/63/216180763.db2.gz BIZHFRNUWHXQEJ-LJQANCHMSA-N 0 3 347.466 4.123 40 0 EIABHN Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCCN2C(C)C)n1 ZINC000257223410 244192405 /nfs/dbraw/zinc/19/24/05/244192405.db2.gz DXGFNLCHRNQLOZ-SFHVURJKSA-N 0 3 327.476 4.165 40 0 EIABHN Fc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(F)c1 ZINC000019346913 212019010 /nfs/dbraw/zinc/01/90/10/212019010.db2.gz NOVHKYBVAYAPJJ-HNNXBMFYSA-N 0 3 327.378 4.221 40 0 EIABHN CC(=O)N1CCC[C@@H](NCc2ccc(F)cc2)[C@@H]1c1ccc(C)s1 ZINC000019217328 212006214 /nfs/dbraw/zinc/00/62/14/212006214.db2.gz YRNDBQNYAACELR-IEBWSBKVSA-N 0 3 346.471 4.037 40 0 EIABHN Cc1cc2c(cc1CNC1(c3ccccc3F)CCCC1)OCO2 ZINC000012328260 211349360 /nfs/dbraw/zinc/34/93/60/211349360.db2.gz DHJHAIBFXBMBFK-UHFFFAOYSA-N 0 3 327.399 4.422 40 0 EIABHN Cc1cc(-c2noc([C@H]3CCCN3)n2)cc(C)c1OCc1ccccc1 ZINC000095095430 218281035 /nfs/dbraw/zinc/28/10/35/218281035.db2.gz OVDJUQYUOICPAP-GOSISDBHSA-N 0 3 349.434 4.357 40 0 EIABHN Cc1ccc([C@@H](O)CN2CCC(Oc3ccccc3F)CC2)c(C)c1 ZINC000019132376 257912592 /nfs/dbraw/zinc/91/25/92/257912592.db2.gz AWBJJOKBLWNPEA-FQEVSTJZSA-N 0 3 343.442 4.019 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000039767437 563900418 /nfs/dbraw/zinc/90/04/18/563900418.db2.gz UAUVZJBUMCZJFY-UHFFFAOYSA-N 0 3 344.405 4.124 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)NC(C(C)C)C(C)C)CC2)c1 ZINC000039743446 563900705 /nfs/dbraw/zinc/90/07/05/563900705.db2.gz XQEITWILMUTGBV-UHFFFAOYSA-N 0 3 330.516 4.004 40 0 EIABHN COc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000030754657 563910495 /nfs/dbraw/zinc/91/04/95/563910495.db2.gz FZWRQKGDTXRZHU-UHFFFAOYSA-N 0 3 338.451 4.179 40 0 EIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)o1 ZINC000043277750 563925676 /nfs/dbraw/zinc/92/56/76/563925676.db2.gz ZBBMEEXWDHFPMZ-UHFFFAOYSA-N 0 3 329.469 4.247 40 0 EIABHN CN1CCC(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000074921037 563967035 /nfs/dbraw/zinc/96/70/35/563967035.db2.gz BLVSDNYHZDRVCM-UHFFFAOYSA-N 0 3 334.769 4.029 40 0 EIABHN c1csc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)c1 ZINC000107752062 563984135 /nfs/dbraw/zinc/98/41/35/563984135.db2.gz MLZRAKKTHLMVRT-PMACEKPBSA-N 0 3 349.540 4.326 40 0 EIABHN Fc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 ZINC000049170535 564032642 /nfs/dbraw/zinc/03/26/42/564032642.db2.gz GDARKSVQEYQOLM-AWEZNQCLSA-N 0 3 341.361 4.004 40 0 biogenic,in-vitro EIABHN CC1CCN(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)CC1 ZINC000224330657 564042437 /nfs/dbraw/zinc/04/24/37/564042437.db2.gz OSIBAMWNCJDQLE-UHFFFAOYSA-N 0 3 326.484 4.149 40 0 EIABHN Cc1cc(N2CCNCC2)c2cccc(Sc3ccccc3)c2n1 ZINC000225322228 564045949 /nfs/dbraw/zinc/04/59/49/564045949.db2.gz DRVSTNCVDFDXMO-UHFFFAOYSA-N 0 3 335.476 4.104 40 0 EIABHN COc1cccc(CN(C)C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000077291404 564134176 /nfs/dbraw/zinc/13/41/76/564134176.db2.gz CWTFOLQZKJTWML-QGZVFWFLSA-N 0 3 340.250 4.167 40 0 in-vitro EIABHN C[C@@H]1OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[C@@H](/C=C\[C@H]3CCC[C@@H](C)N3C)[C@H]21 ZINC000052429252 214128030 /nfs/dbraw/zinc/12/80/30/214128030.db2.gz FMPNFDSPHNUFOS-VALWZWAMSA-N 0 3 345.527 4.419 40 0 EIABHN CC(C)(C)c1cc(C[C@@H]2C[C@H](NCc3ccccn3)C2(C)C)no1 ZINC000067889819 215242305 /nfs/dbraw/zinc/24/23/05/215242305.db2.gz VLKBGUAQAPLZRR-PBHICJAKSA-N 0 3 327.472 4.114 40 0 biogenic,in-vitro EIABHN Fc1ccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000072358610 216166088 /nfs/dbraw/zinc/16/60/88/216166088.db2.gz OTQZMHFPPGTBLJ-QGZVFWFLSA-N 0 3 348.425 4.057 40 0 EIABHN CCc1nccn1-c1cccc([C@H]2CCCN2Cc2ccsc2)n1 ZINC000072355671 216164040 /nfs/dbraw/zinc/16/40/40/216164040.db2.gz QGPJMLWNUZSLMO-QGZVFWFLSA-N 0 3 338.480 4.228 40 0 EIABHN CCOc1c(Cl)cc(Cl)cc1CNC[C@@H](O)c1ccccc1 ZINC000022074800 212276817 /nfs/dbraw/zinc/27/68/17/212276817.db2.gz QXIFEMKKYSHHBY-MRXNPFEDSA-N 0 3 340.250 4.215 40 0 EIABHN CCOc1ccc(Br)cc1CNCCc1ccccc1 ZINC000022074362 212275410 /nfs/dbraw/zinc/27/54/10/212275410.db2.gz WVQYZTRMOIUQGC-UHFFFAOYSA-N 0 3 334.257 4.180 40 0 EIABHN Cc1oc2ccccc2c1CN(CCN(C)C)Cc1cccs1 ZINC000019581937 212047480 /nfs/dbraw/zinc/04/74/80/212047480.db2.gz GMZKBSYNGNSOMF-UHFFFAOYSA-N 0 3 328.481 4.367 40 0 EIABHN Clc1ccc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 ZINC000019344676 212017545 /nfs/dbraw/zinc/01/75/45/212017545.db2.gz BYSSWFVSPHEAGX-CYBMUJFWSA-N 0 3 345.855 4.441 40 0 EIABHN COc1cccc(CN2CCC[C@H](c3nc(C)n4ccccc34)C2)c1 ZINC000019240676 212008994 /nfs/dbraw/zinc/00/89/94/212008994.db2.gz IPVDFBTZSLAHSX-SFHVURJKSA-N 0 3 335.451 4.031 40 0 EIABHN CC[C@@H]1c2ccsc2CCN1Cc1ccc(OCCOC)cc1 ZINC000012241218 211328381 /nfs/dbraw/zinc/32/83/81/211328381.db2.gz JNCLGGQLGJPOQY-GOSISDBHSA-N 0 3 331.481 4.283 40 0 EIABHN CC(=O)Nc1ccc(CN2CCCCC[C@@H]2c2cc(C)no2)cc1 ZINC000012120280 211297237 /nfs/dbraw/zinc/29/72/37/211297237.db2.gz XOSPKSYUNFGHQT-GOSISDBHSA-N 0 3 327.428 4.059 40 0 EIABHN C[C@H]1CCCN(CCOC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000004791888 210278234 /nfs/dbraw/zinc/27/82/34/210278234.db2.gz QMIALDKBKMPFPV-LBPRGKRZSA-N 0 3 330.255 4.272 40 0 EIABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 ZINC000009062993 257862375 /nfs/dbraw/zinc/86/23/75/257862375.db2.gz XJFLBOLBDJXGMA-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN C[C@@H](CN1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001648458 563399307 /nfs/dbraw/zinc/39/93/07/563399307.db2.gz IVQGMURVQGDFDP-IHPCNDPISA-N 0 3 327.468 4.154 40 0 EIABHN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000002694539 563445914 /nfs/dbraw/zinc/44/59/14/563445914.db2.gz YSBWPYOHMLOJIM-AOIWGVFYSA-N 0 3 327.468 4.291 40 0 EIABHN CCOCCCNCc1cccc(OCC)c1OCc1ccccc1 ZINC000008253207 563624347 /nfs/dbraw/zinc/62/43/47/563624347.db2.gz KXTLIJKHSRPXRQ-UHFFFAOYSA-N 0 3 343.467 4.181 40 0 EIABHN C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008535069 563631879 /nfs/dbraw/zinc/63/18/79/563631879.db2.gz HBCVVNMSWITLTQ-GFCCVEGCSA-N 0 3 340.250 4.043 40 0 EIABHN Cc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1 ZINC000585289243 563981960 /nfs/dbraw/zinc/98/19/60/563981960.db2.gz OOMOGLZNWSROIW-XUVXKRRUSA-N 0 3 345.870 4.099 40 0 EIABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 ZINC000072214692 563984885 /nfs/dbraw/zinc/98/48/85/563984885.db2.gz FTLCNUDHCGATFD-INIZCTEOSA-N 0 3 333.476 4.390 40 0 EIABHN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C ZINC000072214798 563984956 /nfs/dbraw/zinc/98/49/56/563984956.db2.gz HQOAUVHRTRPPBU-MRXNPFEDSA-N 0 3 333.476 4.388 40 0 EIABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 ZINC000072215252 563985245 /nfs/dbraw/zinc/98/52/45/563985245.db2.gz JNIDWZWTACDBFO-GOEBONIOSA-N 0 3 333.476 4.436 40 0 EIABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCc2ccccc2C1 ZINC000072222856 563985822 /nfs/dbraw/zinc/98/58/22/563985822.db2.gz HSKLABVNZBJSDT-NRFANRHFSA-N 0 3 329.447 4.001 40 0 EIABHN COCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008469104 564016370 /nfs/dbraw/zinc/01/63/70/564016370.db2.gz GEQVQZGLRYWSMZ-UHFFFAOYSA-N 0 3 340.250 4.308 40 0 EIABHN CSc1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010338199 564017296 /nfs/dbraw/zinc/01/72/96/564017296.db2.gz PYSNUWANCNJCIR-UHFFFAOYSA-N 0 3 326.465 4.257 40 0 EIABHN COc1ccc(CN(Cc2ccncc2)CC2CCCC2)cc1OC ZINC000013989878 564020808 /nfs/dbraw/zinc/02/08/08/564020808.db2.gz KDFXBZXLLNHLSO-UHFFFAOYSA-N 0 3 340.467 4.291 40 0 EIABHN Cc1ccc(CN(Cc2cccc(OC(C)C)c2)C[C@H](C)O)s1 ZINC000013991963 564020831 /nfs/dbraw/zinc/02/08/31/564020831.db2.gz XZJAAVSBPOXRAN-HNNXBMFYSA-N 0 3 333.497 4.227 40 0 EIABHN Cc1ccsc1CN(CCCO)Cc1ccccc1C(F)(F)F ZINC000013997302 564020893 /nfs/dbraw/zinc/02/08/93/564020893.db2.gz LHIJWSQKWZWYLV-UHFFFAOYSA-N 0 3 343.414 4.460 40 0 EIABHN CC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1 ZINC000225596663 564048173 /nfs/dbraw/zinc/04/81/73/564048173.db2.gz MVSCZKKQQHUKDR-UHFFFAOYSA-N 0 3 330.472 4.070 40 0 EIABHN O=C1C(CN2CCCCC2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000104269467 219367728 /nfs/dbraw/zinc/36/77/28/219367728.db2.gz NLPPWDBRADHGEK-FQEVSTJZSA-N 0 3 348.446 4.073 40 0 EIABHN Cc1ccc(CN2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000039742959 213242954 /nfs/dbraw/zinc/24/29/54/213242954.db2.gz OFQKCOLDZJBSDL-UHFFFAOYSA-N 0 3 336.479 4.463 40 0 EIABHN Cc1cccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020111106 212102480 /nfs/dbraw/zinc/10/24/80/212102480.db2.gz WLHPBEGSBWOLDN-UHFFFAOYSA-N 0 3 336.479 4.157 40 0 EIABHN CC1CCN(Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)CC1 ZINC000020108724 212102272 /nfs/dbraw/zinc/10/22/72/212102272.db2.gz QQHHWRUNCKZTNN-UHFFFAOYSA-N 0 3 328.500 4.181 40 0 EIABHN CC(C)(C)OC(=O)N[C@@H]1CCCN(CC/C=C/c2ccccc2)C1 ZINC000079438720 217224756 /nfs/dbraw/zinc/22/47/56/217224756.db2.gz ONJHQVPXJCESND-VWGXWWAPSA-N 0 3 330.472 4.079 40 0 EIABHN COCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008469248 210954053 /nfs/dbraw/zinc/95/40/53/210954053.db2.gz VQDRBSIWJRZNIN-UHFFFAOYSA-N 0 3 340.250 4.308 40 0 EIABHN CC[C@]1(C)C[C@@]2(CCCN(CCC(=O)c3ccccc3)C2)CCO1 ZINC000005008156 210361272 /nfs/dbraw/zinc/36/12/72/210361272.db2.gz HPAWIRFVASVWBY-NHCUHLMSSA-N 0 3 329.484 4.321 40 0 EIABHN CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215313 257688700 /nfs/dbraw/zinc/68/87/00/257688700.db2.gz MCCSQPBHWPWHCQ-MRXNPFEDSA-N 0 3 331.460 4.142 40 0 EIABHN CC[C@H](C)c1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000006356067 563566021 /nfs/dbraw/zinc/56/60/21/563566021.db2.gz YSBWPYOHMLOJIM-LNLFQRSKSA-N 0 3 327.468 4.291 40 0 EIABHN Clc1ccccc1COc1cccc(CNC[C@@H]2CCCO2)c1 ZINC000016450046 563812067 /nfs/dbraw/zinc/81/20/67/563812067.db2.gz GQOQQZGCSFACES-SFHVURJKSA-N 0 3 331.843 4.188 40 0 EIABHN Cc1ccc(CN2CCC[C@@]3(CCN(Cc4ccsc4)C3)C2)o1 ZINC000096046936 563978042 /nfs/dbraw/zinc/97/80/42/563978042.db2.gz PZQPKGSIKJNPQD-LJQANCHMSA-N 0 3 330.497 4.138 40 0 EIABHN CC(C)N1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214518 563984788 /nfs/dbraw/zinc/98/47/88/563984788.db2.gz WKYPAAKYRJTRRY-MRXNPFEDSA-N 0 3 333.476 4.388 40 0 EIABHN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C ZINC000072214797 563984933 /nfs/dbraw/zinc/98/49/33/563984933.db2.gz HQOAUVHRTRPPBU-INIZCTEOSA-N 0 3 333.476 4.388 40 0 EIABHN Clc1ccccc1CN1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169293 564032550 /nfs/dbraw/zinc/03/25/50/564032550.db2.gz TVHWFYMPDQBVSQ-INIZCTEOSA-N 0 3 339.826 4.380 40 0 biogenic,in-vitro EIABHN CC(C)n1ncc2c1-c1ccccc1OC21CCN(C2CCC2)CC1 ZINC000306144098 564062389 /nfs/dbraw/zinc/06/23/89/564062389.db2.gz YWDGQFJDYQHYMW-UHFFFAOYSA-N 0 3 337.467 4.367 40 0 EIABHN c1cnc2[nH]c([C@H]3CCCO3)c(CN3CC[C@@H]4CCCC[C@H]4C3)c2c1 ZINC000019345187 564127977 /nfs/dbraw/zinc/12/79/77/564127977.db2.gz CGLBQXCRGUSAEM-TXPKVOOTSA-N 0 3 339.483 4.427 40 0 EIABHN