smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1cccc(CSc2nc(C=Cc3cccs3)n[nH]2)c1 ZINC000096940053 185393298 /nfs/dbraw/zinc/39/32/98/185393298.db2.gz QSDQXWAJRUVBPG-SREVYHEPSA-N 0 1 317.414 4.468 50 0 DIAAMN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1cnccn1 ZINC000090114990 185283052 /nfs/dbraw/zinc/28/30/52/185283052.db2.gz GBUDDTNOMROPIY-DJZPMSPPSA-N 0 1 301.821 4.178 50 0 DIAAMN C[C@H](N[C@@H](C)c1cc(Br)ccc1F)c1ccncc1 ZINC000095419209 185359851 /nfs/dbraw/zinc/35/98/51/185359851.db2.gz YOGYUVNSDATQLN-QWRGUYRKSA-N 0 1 323.209 4.395 50 0 DIAAMN Cc1cnc([C@H](N[C@@H]2CCc3ccc(F)cc32)C2CC2)s1 ZINC000095423341 185361171 /nfs/dbraw/zinc/36/11/71/185361171.db2.gz YJBLNPFFWYQZFC-HZPDHXFCSA-N 0 1 302.418 4.319 50 0 DIAAMN Cc1cnc(C)c(Oc2ccc(CN3CCCC3)cc2Cl)n1 ZINC000067490353 190709349 /nfs/dbraw/zinc/70/93/49/190709349.db2.gz NVKISOYDQMNXOZ-UHFFFAOYSA-N 0 1 317.820 4.135 50 0 DIAAMN CCc1[nH]c2c(cc(C)cc2CNc2cc(C)nc(NC)n2)c1C ZINC000071749142 191021874 /nfs/dbraw/zinc/02/18/74/191021874.db2.gz QEZNVBQAXZWCRL-UHFFFAOYSA-N 0 1 323.444 4.099 50 0 DIAAMN C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000072122444 191039678 /nfs/dbraw/zinc/03/96/78/191039678.db2.gz GQWFOELNNKDAQB-QCUIPMNBSA-N 0 1 321.420 4.278 50 0 DIAAMN c1nc(CC2CCCC2)[nH]c1CN1CCCC[C@H]1c1ccccn1 ZINC000072124172 191041212 /nfs/dbraw/zinc/04/12/12/191041212.db2.gz GJLDSBOSCCPFLH-IBGZPJMESA-N 0 1 324.472 4.265 50 0 DIAAMN c1coc(-c2ncc(CN3CCCCC[C@H]3c3ccco3)cn2)c1 ZINC000072151947 191058399 /nfs/dbraw/zinc/05/83/99/191058399.db2.gz KNVDOFJMSFBVMR-INIZCTEOSA-N 0 1 323.396 4.447 50 0 DIAAMN Cc1ccc(-c2cccc(CN3CC(c4ccccn4)C3)c2)o1 ZINC000072161151 191062710 /nfs/dbraw/zinc/06/27/10/191062710.db2.gz YFHAYBULORAFMN-UHFFFAOYSA-N 0 1 304.393 4.249 50 0 DIAAMN Cc1nc[nH]c1-c1nccn1[C@H]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000072447605 191168752 /nfs/dbraw/zinc/16/87/52/191168752.db2.gz RCVCMQWBJUNVQQ-RDJZCZTQSA-N 0 1 324.403 4.305 50 0 DIAAMN C[C@H](c1ccco1)N(C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000072481186 191181701 /nfs/dbraw/zinc/18/17/01/191181701.db2.gz ZKZMSIPXABNGQG-LLVKDONJSA-N 0 1 317.339 4.141 50 0 DIAAMN Cc1ccc(C(=O)[C@H](Cc2ccccc2)N2CCCCC2)cc1 ZINC000003384308 181014039 /nfs/dbraw/zinc/01/40/39/181014039.db2.gz LSFGKUCFFMPDOS-FQEVSTJZSA-N 0 1 307.437 4.275 50 0 DIAAMN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCCCC2)c1 ZINC000003443365 181020396 /nfs/dbraw/zinc/02/03/96/181020396.db2.gz CTNIMUZMTQZGSE-HXUWFJFHSA-N 0 1 322.452 4.469 50 0 DIAAMN CSc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1 ZINC000004678436 181135080 /nfs/dbraw/zinc/13/50/80/181135080.db2.gz SERKUURELHQLBA-UHFFFAOYSA-N 0 1 309.438 4.421 50 0 DIAAMN Cn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1Cl ZINC000004678503 181136025 /nfs/dbraw/zinc/13/60/25/181136025.db2.gz XPQACMNNLDDMAA-UHFFFAOYSA-N 0 1 315.779 4.492 50 0 DIAAMN COc1ccc(Br)cc1CN1CCCCCCC1 ZINC000004838191 181160146 /nfs/dbraw/zinc/16/01/46/181160146.db2.gz XYWBSNLQHCEMEP-UHFFFAOYSA-N 0 1 312.251 4.224 50 0 DIAAMN CCN(CC)c1noc2c1C(c1ccccc1)c1cc(N)ccc1-2 ZINC000004840715 181160832 /nfs/dbraw/zinc/16/08/32/181160832.db2.gz URIGSPKFUMXQRU-QGZVFWFLSA-N 0 1 319.408 4.264 50 0 DIAAMN Clc1cnccc1CN1CC[C@@H](CSc2ccccc2)C1 ZINC000075964618 191542062 /nfs/dbraw/zinc/54/20/62/191542062.db2.gz ZAKYCCAESPTJEA-CQSZACIVSA-N 0 1 318.873 4.349 50 0 DIAAMN Cc1ccc2nc([C@H](CC(C)C)NC(=O)c3ccccc3)[nH]c2c1 ZINC000005626087 181265413 /nfs/dbraw/zinc/26/54/13/181265413.db2.gz VMILHDBQLVPSTI-SFHVURJKSA-N 0 1 321.424 4.389 50 0 DIAAMN S=c1[nH]nc(Cc2nc3ccccc3s2)n1-c1ccccc1 ZINC000006534214 181352045 /nfs/dbraw/zinc/35/20/45/181352045.db2.gz MBWQEAAWPISIPG-UHFFFAOYSA-N 0 1 324.434 4.130 50 0 DIAAMN Fc1ccccc1COc1cccc(CNCc2ccco2)c1 ZINC000006697673 181371762 /nfs/dbraw/zinc/37/17/62/181371762.db2.gz FQUPOHQSQMVGNH-UHFFFAOYSA-N 0 1 311.356 4.288 50 0 DIAAMN Clc1ccc(CNCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000006702281 181373912 /nfs/dbraw/zinc/37/39/12/181373912.db2.gz FCAQZYIWKJJMBT-UHFFFAOYSA-N 0 1 310.180 4.012 50 0 DIAAMN CC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 ZINC000013007168 181821723 /nfs/dbraw/zinc/82/17/23/181821723.db2.gz IVYGVBHZYZPUOA-UHFFFAOYSA-N 0 1 305.333 4.000 50 0 DIAAMN Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1Br ZINC000015442330 182002257 /nfs/dbraw/zinc/00/22/57/182002257.db2.gz VVNRKEGWEHWYQJ-UHFFFAOYSA-N 0 1 309.003 4.192 50 0 DIAAMN COc1ccc(-c2nc(CN3CCCC[C@H]3C)c(C)o2)c(F)c1 ZINC000019111066 182104742 /nfs/dbraw/zinc/10/47/42/182104742.db2.gz LVHPSMPBWGAMAQ-GFCCVEGCSA-N 0 1 318.392 4.172 50 0 DIAAMN CC(C)c1cccc(C(C)C)c1OCCCCN1CCOCC1 ZINC000019720996 182138293 /nfs/dbraw/zinc/13/82/93/182138293.db2.gz LGIMWWURRFBDCZ-UHFFFAOYSA-N 0 1 319.489 4.425 50 0 DIAAMN COc1ccc(C[C@H](NCc2ccco2)c2ccccc2)cc1 ZINC000019735220 182139862 /nfs/dbraw/zinc/13/98/62/182139862.db2.gz CVAZQOJFGUFCAC-FQEVSTJZSA-N 0 1 307.393 4.362 50 0 DIAAMN C/C=C/c1ccc(OCCN2CCc3ccccc3C2)c(OC)c1 ZINC000019815396 182153472 /nfs/dbraw/zinc/15/34/72/182153472.db2.gz BHHYEQITHTZKMR-ZZXKWVIFSA-N 0 1 323.436 4.165 50 0 DIAAMN CC(C)c1n[nH]c(SCCOc2ccc(C(C)(C)C)cc2)n1 ZINC000021244638 182270236 /nfs/dbraw/zinc/27/02/36/182270236.db2.gz MMMANZQUYZNPPW-UHFFFAOYSA-N 0 1 319.474 4.397 50 0 DIAAMN CC(C)c1nc(SCCOc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000021244638 182270238 /nfs/dbraw/zinc/27/02/38/182270238.db2.gz MMMANZQUYZNPPW-UHFFFAOYSA-N 0 1 319.474 4.397 50 0 DIAAMN CCOc1ccccc1CN1CCC[C@@H]1c1c(C)noc1C ZINC000021720432 182285982 /nfs/dbraw/zinc/28/59/82/182285982.db2.gz JBIFOASYEGAOIG-MRXNPFEDSA-N 0 1 300.402 4.027 50 0 DIAAMN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000021962283 182300067 /nfs/dbraw/zinc/30/00/67/182300067.db2.gz CFETYKHQAZZTQJ-AWEZNQCLSA-N 0 1 317.820 4.135 50 0 DIAAMN O=C(Nc1nc2c(s1)CCCCC2)c1ccc(O)c(Cl)c1 ZINC000022374760 182320238 /nfs/dbraw/zinc/32/02/38/182320238.db2.gz XWMHQTNIXZJKAK-UHFFFAOYSA-N 0 1 322.817 4.023 50 0 DIAAMN CN(Cc1ccc(Cl)cc1Cl)C[C@@H](O)c1ccccc1 ZINC000023280426 182355658 /nfs/dbraw/zinc/35/56/58/182355658.db2.gz ZLYXYVVOVYERBM-MRXNPFEDSA-N 0 1 310.224 4.159 50 0 DIAAMN O=C(Nc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000024960749 182395822 /nfs/dbraw/zinc/39/58/22/182395822.db2.gz LXKHEQZJGWSCBZ-UHFFFAOYSA-N 0 1 315.735 4.122 50 0 DIAAMN O=C(Nc1ccccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000024960935 182395873 /nfs/dbraw/zinc/39/58/73/182395873.db2.gz KJPMECQNZGVOSA-UHFFFAOYSA-N 0 1 315.735 4.122 50 0 DIAAMN CCN(C(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccccc1 ZINC000032369620 182640905 /nfs/dbraw/zinc/64/09/05/182640905.db2.gz MBMFTMIBGMTXBK-UHFFFAOYSA-N 0 1 305.381 4.052 50 0 DIAAMN Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000040478324 183075785 /nfs/dbraw/zinc/07/57/85/183075785.db2.gz BTMQMNMVWBAXGQ-UHFFFAOYSA-N 0 1 309.344 4.085 50 0 DIAAMN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000040478314 183076067 /nfs/dbraw/zinc/07/60/67/183076067.db2.gz XKJHZQNJOKAYJM-UHFFFAOYSA-N 0 1 309.344 4.085 50 0 DIAAMN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000040478246 183076125 /nfs/dbraw/zinc/07/61/25/183076125.db2.gz KCCFPRJLFDVUCL-UHFFFAOYSA-N 0 1 311.772 4.291 50 0 DIAAMN CC(C)(C)n1cc(CN[C@H]2CCSc3ccc(F)cc32)cn1 ZINC000042929838 183319038 /nfs/dbraw/zinc/31/90/38/183319038.db2.gz OBEIHGBJTAZTSK-HNNXBMFYSA-N 0 1 319.449 4.104 50 0 DIAAMN Cc1ccc2c(CN(C)Cc3cccs3)cc(=O)oc2c1C ZINC000057024649 184024824 /nfs/dbraw/zinc/02/48/24/184024824.db2.gz YPBDKENKJHJLDT-UHFFFAOYSA-N 0 1 313.422 4.103 50 0 DIAAMN Cc1cc2oc(=O)cc(CN(C)Cc3cccs3)c2cc1C ZINC000057024650 184024890 /nfs/dbraw/zinc/02/48/90/184024890.db2.gz MXWMMWVGNNMBFC-UHFFFAOYSA-N 0 1 313.422 4.103 50 0 DIAAMN Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1cccc(C)c1 ZINC000058017360 184067742 /nfs/dbraw/zinc/06/77/42/184067742.db2.gz DSWJNGNARUPDDL-UHFFFAOYSA-N 0 1 319.452 4.430 50 0 DIAAMN Oc1cccc(CNCc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000058228566 184090681 /nfs/dbraw/zinc/09/06/81/184090681.db2.gz BOHIJZRJQPRMNC-UHFFFAOYSA-N 0 1 324.355 4.008 50 0 DIAAMN C[C@@H](N[C@@H](C)c1ccccc1)c1ccc(Br)cn1 ZINC000279631424 257237755 /nfs/dbraw/zinc/23/77/55/257237755.db2.gz BVDOQWROGFRTOT-NWDGAFQWSA-N 0 1 305.219 4.256 50 0 DIAAMN Cc1n[nH]cc1CN[C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000284376808 131075760 /nfs/dbraw/zinc/07/57/60/131075760.db2.gz OMVNSLCAKYGRPD-LLVKDONJSA-N 0 1 307.825 4.010 50 0 DIAAMN Cc1coc(C)c1C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000285327655 131158191 /nfs/dbraw/zinc/15/81/91/131158191.db2.gz QLZUNLUCYYCZMV-UHFFFAOYSA-N 0 1 312.413 4.120 50 0 DIAAMN C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCCC1 ZINC000181121481 333029021 /nfs/dbraw/zinc/02/90/21/333029021.db2.gz IRVVZJHRNGVEBV-VIFPVBQESA-N 0 1 322.359 4.201 50 0 DIAAMN CCOc1cccc(CN2CCC[C@@H]2c2ccc(COC)o2)c1 ZINC000137082278 341272277 /nfs/dbraw/zinc/27/22/77/341272277.db2.gz WKCACTGZWZEHND-GOSISDBHSA-N 0 1 315.413 4.162 50 0 DIAAMN CC(C)(C)SCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000225785700 563763645 /nfs/dbraw/zinc/76/36/45/563763645.db2.gz HFURRXUZBPWUKJ-AWEZNQCLSA-N 0 1 307.459 4.084 50 0 DIAAMN Cc1ccc([C@H]2CCCN2Cc2ccc([S@](C)=O)cc2)s1 ZINC000170060220 563903287 /nfs/dbraw/zinc/90/32/87/563903287.db2.gz QKTCBUHODUGECC-IERDGZPVSA-N 0 1 319.495 4.131 50 0 DIAAMN Cc1cccc(C)c1NC(=O)CN(C)CCC1CCCCC1 ZINC000078729261 563929893 /nfs/dbraw/zinc/92/98/93/563929893.db2.gz CJJVZLXEDVSBNK-UHFFFAOYSA-N 0 1 302.462 4.144 50 0 DIAAMN COc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1OC ZINC000000183372 563228736 /nfs/dbraw/zinc/22/87/36/563228736.db2.gz ZLXNYDKOUPTSMA-UHFFFAOYSA-N 0 1 308.381 4.034 50 0 DIAAMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000216281 563230868 /nfs/dbraw/zinc/23/08/68/563230868.db2.gz KQJYYDZPYZELJD-MRXNPFEDSA-N 0 1 324.424 4.292 50 0 DIAAMN Brc1c(OCCN2CCCC2)ccc2ccccc21 ZINC000000311523 563239793 /nfs/dbraw/zinc/23/97/93/563239793.db2.gz TZTFNVRQHJPBGI-UHFFFAOYSA-N 0 1 320.230 4.077 50 0 DIAAMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cccs1 ZINC000001263438 563280721 /nfs/dbraw/zinc/28/07/21/563280721.db2.gz CXMHGIYHKMJHHG-UHFFFAOYSA-N 0 1 309.350 4.137 50 0 DIAAMN Cc1cccc(C)c1NCc1n[nH]c(=S)n1-c1ccccc1 ZINC000002544689 563308502 /nfs/dbraw/zinc/30/85/02/563308502.db2.gz KEDMRUIDPNWSDT-UHFFFAOYSA-N 0 1 310.426 4.159 50 0 DIAAMN CCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1cccs1 ZINC000034794986 563323967 /nfs/dbraw/zinc/32/39/67/563323967.db2.gz JDHCYDLXXDSMNW-UHFFFAOYSA-N 0 1 315.373 4.092 50 0 DIAAMN Cc1ccc2c(=O)c(CN(C)Cc3ccccc3)c(C)[nH]c2c1C ZINC000008572572 563347715 /nfs/dbraw/zinc/34/77/15/563347715.db2.gz GIICJDFUHCPBLK-UHFFFAOYSA-N 0 1 320.436 4.498 50 0 DIAAMN Cc1sc2nc(C)nc(Nc3ccc4cn[nH]c4c3)c2c1C ZINC000008745980 563350068 /nfs/dbraw/zinc/35/00/68/563350068.db2.gz CBBZABBAKIWAIW-UHFFFAOYSA-N 0 1 309.398 4.236 50 0 DIAAMN Clc1ccc(CNCc2ccnc(N3CCCCC3)c2)s1 ZINC000069711141 563353644 /nfs/dbraw/zinc/35/36/44/563353644.db2.gz CUODWBGPXFQCDQ-UHFFFAOYSA-N 0 1 321.877 4.077 50 0 DIAAMN Fc1ccc(CC[C@@H]2CCCN(Cc3nccs3)C2)cc1F ZINC000012052844 563361036 /nfs/dbraw/zinc/36/10/36/563361036.db2.gz YDBJTURQUZGRCI-AWEZNQCLSA-N 0 1 322.424 4.266 50 0 DIAAMN Fc1cccc(CN2CCC[C@@H](Nc3ccccc3)C2)c1F ZINC000012304458 563366464 /nfs/dbraw/zinc/36/64/64/563366464.db2.gz SSGBKOJNBCAZLE-MRXNPFEDSA-N 0 1 302.368 4.041 50 0 DIAAMN CCC(=NNc1cccc2cccnc21)c1ccc(OC)cc1 ZINC000004380349 563374488 /nfs/dbraw/zinc/37/44/88/563374488.db2.gz AOFOCZHYZOVWMZ-UHFFFAOYSA-N 0 1 305.381 4.470 50 0 DIAAMN COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)c(O)c1 ZINC000013121721 563378315 /nfs/dbraw/zinc/37/83/15/563378315.db2.gz IJWVXRMJAYKQCY-UHFFFAOYSA-N 0 1 300.745 4.111 50 0 DIAAMN c1ccc(Cn2c(CN3CCCCCC3)nc3ccccc32)cc1 ZINC000013943963 563393153 /nfs/dbraw/zinc/39/31/53/563393153.db2.gz STVPPXBJTMOMMW-UHFFFAOYSA-N 0 1 319.452 4.461 50 0 DIAAMN Cc1cccc(-n2c(CNc3ccccc3)n[nH]c2=S)c1C ZINC000026439347 563426006 /nfs/dbraw/zinc/42/60/06/563426006.db2.gz DPJMEQUYQKZWLD-UHFFFAOYSA-N 0 1 310.426 4.159 50 0 DIAAMN CCOc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 ZINC000030011944 563436022 /nfs/dbraw/zinc/43/60/22/563436022.db2.gz HRMNMBJRCCMDCN-UHFFFAOYSA-N 0 1 321.380 4.036 50 0 DIAAMN Cc1ccc2nc(-c3cccc(NC(=O)c4ccco4)c3)[nH]c2c1 ZINC000032508030 563442560 /nfs/dbraw/zinc/44/25/60/563442560.db2.gz FXKPMHAUESWTHM-UHFFFAOYSA-N 0 1 317.348 4.384 50 0 aggregator DIAAMN c1cc2n(c1)-c1sc3c(c1CN[C@@H]2c1ccccc1)CCC3 ZINC000032919309 563444296 /nfs/dbraw/zinc/44/42/96/563444296.db2.gz MSYVDIVUDJELJJ-GOSISDBHSA-N 0 1 306.434 4.220 50 0 DIAAMN CCc1n[nH]c(CCc2ccccc2)c1NC(=O)CC(C)(C)C ZINC000034795326 563451063 /nfs/dbraw/zinc/45/10/63/563451063.db2.gz UCNKCQNWHFUBQX-UHFFFAOYSA-N 0 1 313.445 4.132 50 0 DIAAMN CCCOc1ccc(CN2CCC[C@H]2c2cc(CC)no2)cc1 ZINC000064666982 563486341 /nfs/dbraw/zinc/48/63/41/563486341.db2.gz RWYVGKMGDKPAIK-SFHVURJKSA-N 0 1 314.429 4.363 50 0 DIAAMN Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1ccc(-c2ccccn2)cc1 ZINC000067589022 563488067 /nfs/dbraw/zinc/48/80/67/563488067.db2.gz LNCGTHGIMSRNET-INIZCTEOSA-N 0 1 320.440 4.282 50 0 DIAAMN C[C@H](c1ccc(-c2cccc3[nH]ccc32)cc1)N1CCOCC1 ZINC000067881729 563493183 /nfs/dbraw/zinc/49/31/83/563493183.db2.gz WBOOABBEZQVBRX-OAHLLOKOSA-N 0 1 306.409 4.228 50 0 DIAAMN Fc1c(CN2CCCC2)cccc1Oc1nccc2occc21 ZINC000067947632 563493913 /nfs/dbraw/zinc/49/39/13/563493913.db2.gz JTHILQQJBGPQMR-UHFFFAOYSA-N 0 1 312.344 4.355 50 0 DIAAMN Oc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1Cl ZINC000097212432 563512939 /nfs/dbraw/zinc/51/29/39/563512939.db2.gz FRANNDGPBRXYHR-UHFFFAOYSA-N 0 1 308.671 4.041 50 0 DIAAMN Cc1[nH]c2ccc(F)cc2c(=O)c1CN(C)Cc1ccccc1 ZINC000008717114 563523337 /nfs/dbraw/zinc/52/33/37/563523337.db2.gz KZADZIYSRIIIIO-UHFFFAOYSA-N 0 1 310.372 4.020 50 0 DIAAMN Fc1ccc([C@H]2CCN2Cc2cccc(Cn3cccn3)c2)cc1 ZINC000097572304 563540538 /nfs/dbraw/zinc/54/05/38/563540538.db2.gz BNAFGOVYBNXKHP-HXUWFJFHSA-N 0 1 321.399 4.018 50 0 DIAAMN CCCCc1c(O)c2cccc3c4c(n(c32)c1=O)CC[C@@H](C)C4 ZINC000100294475 563549060 /nfs/dbraw/zinc/54/90/60/563549060.db2.gz BAMOSLXACRGYPO-GFCCVEGCSA-N 0 1 309.409 4.064 50 0 DIAAMN COC(=O)c1ccc2nc(C)cc(Nc3ccc(C)cc3)c2c1 ZINC000000144062 563573420 /nfs/dbraw/zinc/57/34/20/563573420.db2.gz MQJAXNMWWCUVRE-UHFFFAOYSA-N 0 1 306.365 4.382 50 0 DIAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)OC1CCCCC1 ZINC000000420347 563611565 /nfs/dbraw/zinc/61/15/65/563611565.db2.gz CNXKKHXFPQJOFJ-UHFFFAOYSA-N 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Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c1 ZINC000010311082 563958711 /nfs/dbraw/zinc/95/87/11/563958711.db2.gz OZWLWPGLKFTNBE-LJQANCHMSA-N 0 1 308.425 4.079 50 0 DIAAMN CN(CC(=O)N(C1=CCCCC1)C1CC1)[C@H]1CCc2ccccc21 ZINC000071794782 568419887 /nfs/dbraw/zinc/41/98/87/568419887.db2.gz MOBUFUJHUCTYCK-FQEVSTJZSA-N 0 1 324.468 4.055 50 0 DIAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)[nH]n2)cc1 ZINC000051315389 1041579696 /nfs/dbraw/zinc/57/96/96/1041579696.db2.gz XMGYIEQLYCQEDZ-UHFFFAOYSA-N 0 1 321.380 4.036 50 0 DIAAMN c1ccc([C@H](CC2CCC2)N[C@@H]2COCc3ncccc32)cc1 ZINC000888101079 1042266221 /nfs/dbraw/zinc/26/62/21/1042266221.db2.gz YQDUKRNXPURFRL-AZUAARDMSA-N 0 1 308.425 4.174 50 0 DIAAMN COc1cc(-c2ccc(C)s2)cc2c1OCCN(C(C)C)C2 ZINC000014976020 1045562194 /nfs/dbraw/zinc/56/21/94/1045562194.db2.gz NVKXPUWJUPMEMC-UHFFFAOYSA-N 0 1 317.454 4.335 50 0 DIAAMN O=C([O-])c1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000263397421 1046313562 /nfs/dbraw/zinc/31/35/62/1046313562.db2.gz GZOOJKKTUCZMPE-ACDBMABISA-N 0 1 321.420 4.295 50 0 DIAAMN Cc1cc([C@H](C)NC(c2ccccc2)c2ccccc2)n(C)n1 ZINC000793514296 1048647219 /nfs/dbraw/zinc/64/72/19/1048647219.db2.gz FEOQXJOPWOSSFC-INIZCTEOSA-N 0 1 305.425 4.169 50 0 DIAAMN Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2c(C)c1Cl ZINC000002230661 1055959390 /nfs/dbraw/zinc/95/93/90/1055959390.db2.gz MFBJDZHOGWNGIV-UHFFFAOYSA-N 0 1 319.832 4.295 50 0 biogenic DIAAMN CCCO[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001529126083 1058617332 /nfs/dbraw/zinc/61/73/32/1058617332.db2.gz WTLCWWOXIQHMGM-INIZCTEOSA-N 0 1 315.379 4.405 50 0 DIAAMN Cc1nnc([C@@H](C)NCC2(c3ccc(F)cc3)CCCCC2)o1 ZINC000079029805 185147479 /nfs/dbraw/zinc/14/74/79/185147479.db2.gz PULYQVVBYLGGSZ-CYBMUJFWSA-N 0 1 317.408 4.070 50 0 DIAAMN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CSc3ccccc32)c1 ZINC000095419640 185360016 /nfs/dbraw/zinc/36/00/16/185360016.db2.gz ULRGCDJWYHJUOE-SJKOYZFVSA-N 0 1 312.438 4.143 50 0 DIAAMN CCn1cc(CN2CCCC[C@H]2c2cccc(F)c2)c(C)n1 ZINC000072453848 191170963 /nfs/dbraw/zinc/17/09/63/191170963.db2.gz UBPMSHHPPCSOKW-SFHVURJKSA-N 0 1 301.409 4.078 50 0 DIAAMN c1ccc2c(c1)cccc2CSc1nc(-c2ccncc2)n[nH]1 ZINC000002628058 180940951 /nfs/dbraw/zinc/94/09/51/180940951.db2.gz PPOMIPWXEHZHBI-UHFFFAOYSA-N 0 1 318.405 4.312 50 0 DIAAMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCCC1 ZINC000003571843 181036480 /nfs/dbraw/zinc/03/64/80/181036480.db2.gz RBVGHRGLDHWTNA-MRXNPFEDSA-N 0 1 308.425 4.167 50 0 DIAAMN Fc1ccc(COc2cccc(CNCc3cccnc3)c2)cc1 ZINC000004675933 181135369 /nfs/dbraw/zinc/13/53/69/181135369.db2.gz AJTLMMADSZFVTJ-UHFFFAOYSA-N 0 1 322.383 4.090 50 0 DIAAMN COCCn1c(-c2ccccc2)cnc1NCc1cccc(C)c1 ZINC000004679215 181136337 /nfs/dbraw/zinc/13/63/37/181136337.db2.gz OTCGKSYYKOSSPD-UHFFFAOYSA-N 0 1 321.424 4.117 50 0 DIAAMN O=c1cc(-c2ccccc2)[nH]n1-c1cc(Cl)ccc1Cl ZINC000004917622 181172879 /nfs/dbraw/zinc/17/28/79/181172879.db2.gz PBWMTQIVWVZHNG-UHFFFAOYSA-N 0 1 305.164 4.134 50 0 DIAAMN O=C(CN1CCCC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000005043966 181196324 /nfs/dbraw/zinc/19/63/24/181196324.db2.gz MAVXRPCYLZJUGF-OTXOEQGISA-N 0 1 323.480 4.190 50 0 DIAAMN CCCCCOc1ccc(CSc2nnc(CC)[nH]2)cc1 ZINC000005825020 181286871 /nfs/dbraw/zinc/28/68/71/181286871.db2.gz CPEASMDLDZFONU-UHFFFAOYSA-N 0 1 305.447 4.228 50 0 DIAAMN CCCCCOc1ccc(CSc2nc(CC)n[nH]2)cc1 ZINC000005825020 181286873 /nfs/dbraw/zinc/28/68/73/181286873.db2.gz CPEASMDLDZFONU-UHFFFAOYSA-N 0 1 305.447 4.228 50 0 DIAAMN Cc1ccc(-c2cnc(NCc3ccc(F)cc3)n2C)cc1C ZINC000006420779 181339690 /nfs/dbraw/zinc/33/96/90/181339690.db2.gz JCIZNUWAUXDYKS-UHFFFAOYSA-N 0 1 309.388 4.455 50 0 DIAAMN CCOc1ccc(-c2cnc(NCc3ccccc3)n2C)cc1 ZINC000006621174 181361481 /nfs/dbraw/zinc/36/14/81/181361481.db2.gz GALUVOOWDHAHSI-UHFFFAOYSA-N 0 1 307.397 4.098 50 0 DIAAMN O=C(CN1CCCCCC1)Nc1ccccc1Oc1ccccc1 ZINC000006638447 181363754 /nfs/dbraw/zinc/36/37/54/181363754.db2.gz OOTPNJLQHSSVBC-UHFFFAOYSA-N 0 1 324.424 4.293 50 0 DIAAMN CCOC(=O)Nc1nc2ccc(C=Cc3ccc(C)cc3)cc2[nH]1 ZINC000006693758 181371072 /nfs/dbraw/zinc/37/10/72/181371072.db2.gz NBMGTQFOSCIVQI-CMDGGOBGSA-N 0 1 321.380 4.032 50 0 DIAAMN CCCC[C@H]1C=CCN1C(=O)c1cc(-c2ccc(C)s2)[nH]n1 ZINC000091664138 193087086 /nfs/dbraw/zinc/08/70/86/193087086.db2.gz GLGUSUMGIXTNDR-ZDUSSCGKSA-N 0 1 315.442 4.017 50 0 DIAAMN COc1cc(CN2CCC[C@H]2c2cccc(F)c2)cc(OC)c1 ZINC000015837273 182020160 /nfs/dbraw/zinc/02/01/60/182020160.db2.gz LOIXQSUGQOKIOS-IBGZPJMESA-N 0 1 315.388 4.180 50 0 DIAAMN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccccc1Cl ZINC000020111829 182188172 /nfs/dbraw/zinc/18/81/72/182188172.db2.gz ZMRIRHYLUWAYNE-QGZVFWFLSA-N 0 1 312.800 4.065 50 0 biogenic DIAAMN Fc1cc(F)cc(CCN2CCCC[C@H]2c2ccccn2)c1 ZINC000020598095 182236544 /nfs/dbraw/zinc/23/65/44/182236544.db2.gz GFGOBANQJINKTG-SFHVURJKSA-N 0 1 302.368 4.130 50 0 DIAAMN CCOc1ccccc1CN1CCC[C@@H]1c1c(C)noc1CC ZINC000021720900 182286248 /nfs/dbraw/zinc/28/62/48/182286248.db2.gz MWELTVPWGHPLRR-MRXNPFEDSA-N 0 1 314.429 4.281 50 0 DIAAMN Cc1ccc2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2c1 ZINC000021799562 182290227 /nfs/dbraw/zinc/29/02/27/182290227.db2.gz KKNBATINRAWWRR-UHFFFAOYSA-N 0 1 318.785 4.216 50 0 DIAAMN Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1C ZINC000040478322 183075964 /nfs/dbraw/zinc/07/59/64/183075964.db2.gz UBZLJVDOZWPOHE-UHFFFAOYSA-N 0 1 309.344 4.085 50 0 DIAAMN c1ccc2c(c1)nc(Nc1ccncc1)nc2NC1CCCC1 ZINC000041152207 183178313 /nfs/dbraw/zinc/17/83/13/183178313.db2.gz OSPJPUOPPMACFZ-UHFFFAOYSA-N 0 1 305.385 4.123 50 0 DIAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N(C)Cc1ccccc1C ZINC000057676254 184046048 /nfs/dbraw/zinc/04/60/48/184046048.db2.gz LFAPEZVNSKLWRI-INIZCTEOSA-N 0 1 320.436 4.488 50 0 DIAAMN FC(F)(F)COCCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000059960800 184143287 /nfs/dbraw/zinc/14/32/87/184143287.db2.gz LRZIOZQEEVBNHX-UHFFFAOYSA-N 0 1 324.755 4.277 50 0 DIAAMN C[C@H](c1cccnc1)N(C)Cc1ccc(-c2ccccn2)cc1 ZINC000065394944 184334935 /nfs/dbraw/zinc/33/49/35/184334935.db2.gz IVZZYSVXVCHVEZ-MRXNPFEDSA-N 0 1 303.409 4.337 50 0 DIAAMN Clc1ccc(CSC2=NCCN2Cc2ccccc2)cc1 ZINC000000144317 563224092 /nfs/dbraw/zinc/22/40/92/563224092.db2.gz AHGFVHMLFPXBDQ-UHFFFAOYSA-N 0 1 316.857 4.445 50 0 DIAAMN Fc1ccccc1COc1ccccc1CNCc1ccncc1 ZINC000000360381 563244340 /nfs/dbraw/zinc/24/43/40/563244340.db2.gz YBVSECASAQHRMH-UHFFFAOYSA-N 0 1 322.383 4.090 50 0 DIAAMN CCN(CC)[C@H]1C(=O)Nc2ccc(C)cc2[C@@H]1c1ccccc1 ZINC000001294315 563281196 /nfs/dbraw/zinc/28/11/96/563281196.db2.gz OEGOERCGICFUBB-RBUKOAKNSA-N 0 1 308.425 4.439 50 0 DIAAMN O=C(c1ccc(Cl)c(F)c1)c1ccccc1CN1CCCC1 ZINC000002515569 563305795 /nfs/dbraw/zinc/30/57/95/563305795.db2.gz UQTVSKMPGZXHKZ-UHFFFAOYSA-N 0 1 317.791 4.306 50 0 DIAAMN CC(C)(C)CC(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000034795035 563323980 /nfs/dbraw/zinc/32/39/80/563323980.db2.gz QTGNAHVJXFJUPX-UHFFFAOYSA-N 0 1 315.392 4.468 50 0 DIAAMN Cc1n[nH]c(CCc2ccccc2)c1NC(=O)CC1CCCC1 ZINC000034795312 563324532 /nfs/dbraw/zinc/32/45/32/563324532.db2.gz ADTZVVQSMPRLTN-UHFFFAOYSA-N 0 1 311.429 4.022 50 0 DIAAMN CCc1n[nH]c(-c2ccsc2)c1NC(=O)c1ccc(F)cc1 ZINC000034796526 563324559 /nfs/dbraw/zinc/32/45/59/563324559.db2.gz BGTKUEVIRHXXDW-UHFFFAOYSA-N 0 1 315.373 4.092 50 0 DIAAMN CC(C)C(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000007343520 563338042 /nfs/dbraw/zinc/33/80/42/563338042.db2.gz NBXHXGDEZSCLPQ-UHFFFAOYSA-N 0 1 313.788 4.478 50 0 DIAAMN C[C@@H](O)c1ccc(-c2ccc(CNCc3cccs3)o2)cc1 ZINC000007540920 563339514 /nfs/dbraw/zinc/33/95/14/563339514.db2.gz AYROCJHUXYFBCN-CYBMUJFWSA-N 0 1 313.422 4.351 50 0 DIAAMN CCc1ccc2[nH]c(C)c(CN(C)Cc3ccccc3)c(=O)c2c1 ZINC000008572504 563347782 /nfs/dbraw/zinc/34/77/82/563347782.db2.gz LFSRMDFHECEMMN-UHFFFAOYSA-N 0 1 320.436 4.443 50 0 DIAAMN COc1ccc(-c2nc(CN3CCCC[C@H]3C)c(C)o2)cc1C ZINC000011818425 563359654 /nfs/dbraw/zinc/35/96/54/563359654.db2.gz IEAOBUSWRBIVMW-CQSZACIVSA-N 0 1 314.429 4.341 50 0 DIAAMN Clc1cccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c1 ZINC000012415365 563369239 /nfs/dbraw/zinc/36/92/39/563369239.db2.gz AMRCJUANAKKLDT-UHFFFAOYSA-N 0 1 322.755 4.447 50 0 DIAAMN Brc1cccc(C2(NCc3ccccn3)CCC2)c1 ZINC000071924565 563372612 /nfs/dbraw/zinc/37/26/12/563372612.db2.gz BZDVTJVVANZABC-UHFFFAOYSA-N 0 1 317.230 4.013 50 0 DIAAMN Cc1ccc(C(=O)CSc2nc(C3CCCC3)n[nH]2)cc1C ZINC000012971235 563376268 /nfs/dbraw/zinc/37/62/68/563376268.db2.gz BSEDQKNFUQAWFB-UHFFFAOYSA-N 0 1 315.442 4.054 50 0 DIAAMN Cc1ccc(C(=O)CSc2n[nH]c(C3CCCC3)n2)cc1C ZINC000012971235 563376270 /nfs/dbraw/zinc/37/62/70/563376270.db2.gz BSEDQKNFUQAWFB-UHFFFAOYSA-N 0 1 315.442 4.054 50 0 DIAAMN S=c1[nH]nc(CNc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000013483151 563382788 /nfs/dbraw/zinc/38/27/88/563382788.db2.gz KVVWIFYJIJRDIF-UHFFFAOYSA-N 0 1 316.817 4.195 50 0 DIAAMN Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)cc1 ZINC000014181381 563397386 /nfs/dbraw/zinc/39/73/86/563397386.db2.gz CBJRRJMMJSGSFE-UHFFFAOYSA-N 0 1 305.381 4.254 50 0 DIAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C)[nH]n2)cc1 ZINC000014348929 563400180 /nfs/dbraw/zinc/40/01/80/563400180.db2.gz CUWHVYORLQTCQX-UHFFFAOYSA-N 0 1 309.344 4.085 50 0 DIAAMN COc1ccc(C(C)=O)cc1CN(C)[C@H]1CCCc2ccccc21 ZINC000015261648 563408385 /nfs/dbraw/zinc/40/83/85/563408385.db2.gz NXWDZMUIBJUSAJ-FQEVSTJZSA-N 0 1 323.436 4.407 50 0 DIAAMN O=c1[nH]c(=S)[nH]c2sc3c(c21)CCC1(CCCCC1)C3 ZINC000017780187 563414553 /nfs/dbraw/zinc/41/45/53/563414553.db2.gz DPMLJMLQCFTONW-UHFFFAOYSA-N 0 1 306.456 4.086 50 0 DIAAMN CCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027584001 563428871 /nfs/dbraw/zinc/42/88/71/563428871.db2.gz MWGAYMDASWGHAG-QGZVFWFLSA-N 0 1 322.880 4.173 50 0 DIAAMN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000030011872 563436126 /nfs/dbraw/zinc/43/61/26/563436126.db2.gz HXMSEPKWUNDNOX-UHFFFAOYSA-N 0 1 319.408 4.047 50 0 DIAAMN Cc1nc(-c2ccccc2)c2c(=O)cc(-c3ccccc3)nc-2[nH]1 ZINC000000210985 563447050 /nfs/dbraw/zinc/44/70/50/563447050.db2.gz YETDHUHVMRTNLK-UHFFFAOYSA-N 0 1 313.360 4.373 50 0 DIAAMN CCCCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067883523 563493062 /nfs/dbraw/zinc/49/30/62/563493062.db2.gz KQJAIXFRXOURBV-UHFFFAOYSA-N 0 1 317.454 4.424 50 0 DIAAMN CCc1nc(C)c(-c2nccn2[C@H](C)Cc2ccsc2)[nH]1 ZINC000071388787 563499250 /nfs/dbraw/zinc/49/92/50/563499250.db2.gz GXMAFZJXXLMBCR-LLVKDONJSA-N 0 1 300.431 4.009 50 0 DIAAMN Fc1ccc2nc([C@H]3CCCN3Cc3ccsc3)[nH]c2c1 ZINC000077300718 563508085 /nfs/dbraw/zinc/50/80/85/563508085.db2.gz OTATZFDTAXPHTC-OAHLLOKOSA-N 0 1 301.390 4.101 50 0 DIAAMN Cc1cc([C@@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)on1 ZINC000097631909 563541033 /nfs/dbraw/zinc/54/10/33/563541033.db2.gz FINGYHBEKCRCFT-INIZCTEOSA-N 0 1 312.413 4.034 50 0 DIAAMN Clc1ccc(CN2c3ccccc3N3CCN=C23)c(Cl)c1 ZINC000101277571 563557107 /nfs/dbraw/zinc/55/71/07/563557107.db2.gz VEWLBRSZPOCEPK-UHFFFAOYSA-N 0 1 318.207 4.190 50 0 DIAAMN CCCCC1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C ZINC000103165660 563560501 /nfs/dbraw/zinc/56/05/01/563560501.db2.gz NSISQJJBFFBAJC-UHFFFAOYSA-N 0 1 313.426 4.352 50 0 DIAAMN CCCCOc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 ZINC000005309476 563624224 /nfs/dbraw/zinc/62/42/24/563624224.db2.gz DBNDKEOLJUPIAU-UHFFFAOYSA-N 0 1 310.349 4.345 50 0 DIAAMN CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000051540208 563705555 /nfs/dbraw/zinc/70/55/55/563705555.db2.gz FIVNQEMFSFYVEZ-GOSISDBHSA-N 0 1 317.454 4.123 50 0 DIAAMN CO[C@H](C)c1noc(C[N@H+]2CCCCC[C@@H]2C2CCCCC2)n1 ZINC000225441857 563755321 /nfs/dbraw/zinc/75/53/21/563755321.db2.gz MTLLZKJLYUGEKB-GDBMZVCRSA-N 0 1 321.465 4.102 50 0 DIAAMN Clc1cccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)c1 ZINC000012415130 563773537 /nfs/dbraw/zinc/77/35/37/563773537.db2.gz JORXPHWYEAYTQH-UHFFFAOYSA-N 0 1 312.716 4.040 50 0 DIAAMN Fc1ccc(CN2CCC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000241946720 563778117 /nfs/dbraw/zinc/77/81/17/563778117.db2.gz UNKNHESEVWMSHB-CQSZACIVSA-N 0 1 304.796 4.254 50 0 DIAAMN FC(F)(F)c1cccc([C@H](NCc2cc[nH]n2)C2CCC2)c1 ZINC000242292530 563778447 /nfs/dbraw/zinc/77/84/47/563778447.db2.gz YMYBQEYCAKQGGA-OAHLLOKOSA-N 0 1 309.335 4.060 50 0 DIAAMN COc1ccc(CN(C)Cc2cncn2C2CC2)c2ccccc12 ZINC000244831513 563779779 /nfs/dbraw/zinc/77/97/79/563779779.db2.gz UFDSUCQSGYDADW-UHFFFAOYSA-N 0 1 321.424 4.012 50 0 DIAAMN Cc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)o1 ZINC000075278843 563862696 /nfs/dbraw/zinc/86/26/96/563862696.db2.gz DAFWWCWPMLKKOR-UHFFFAOYSA-N 0 1 317.348 4.384 50 0 DIAAMN CC1CCN(c2nc(-c3ccccc3O)nc3ccccc32)CC1 ZINC000100645088 563877557 /nfs/dbraw/zinc/87/75/57/563877557.db2.gz YAGQSKPPRIOIBM-UHFFFAOYSA-N 0 1 319.408 4.239 50 0 DIAAMN CCCCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245253794 563881515 /nfs/dbraw/zinc/88/15/15/563881515.db2.gz QTHAUWJPWFOHHC-RGCFKVTRSA-N 0 1 314.473 4.355 50 0 DIAAMN COC1CCN([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089409606 563885787 /nfs/dbraw/zinc/88/57/87/563885787.db2.gz HWAHEDPDXKSVQA-OAHLLOKOSA-N 0 1 300.229 4.092 50 0 DIAAMN CC(N=Nc1ccc2ccccc2n1)c1cc(Cl)ccc1O ZINC000252627866 563887802 /nfs/dbraw/zinc/88/78/02/563887802.db2.gz SDBABMGRHMDPLK-UHFFFAOYSA-N 0 1 311.772 4.430 50 0 DIAAMN CCC[C@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104090 563894314 /nfs/dbraw/zinc/89/43/14/563894314.db2.gz CXUQRLXPMYEDDJ-SFHVURJKSA-N 0 1 319.395 4.128 50 0 DIAAMN CCC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104092 563894441 /nfs/dbraw/zinc/89/44/41/563894441.db2.gz CXUQRLXPMYEDDJ-GOSISDBHSA-N 0 1 319.395 4.128 50 0 DIAAMN C[C@@H](c1cc2ccccc2o1)n1c(=O)c2ccccc2[nH]c1=S ZINC000007047231 563901510 /nfs/dbraw/zinc/90/15/10/563901510.db2.gz PWFVELRTGJHEIW-NSHDSACASA-N 0 1 322.389 4.415 50 0 DIAAMN CCOc1ccc2oc(=O)c(-c3nc4ccc(C)cc4[nH]3)cc2c1 ZINC000007344353 563905419 /nfs/dbraw/zinc/90/54/19/563905419.db2.gz VOAIARKMZIGLLJ-UHFFFAOYSA-N 0 1 320.348 4.043 50 0 DIAAMN CCn1cc(CCN2Cc3ccccc3-c3ccccc3C2)cn1 ZINC000170607407 563907821 /nfs/dbraw/zinc/90/78/21/563907821.db2.gz ZUFDQYMIAONWEZ-UHFFFAOYSA-N 0 1 317.436 4.128 50 0 DIAAMN CN(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000014205973 563910397 /nfs/dbraw/zinc/91/03/97/563910397.db2.gz FEINBLWLDQEYOA-UHFFFAOYSA-N 0 1 311.772 4.007 50 0 DIAAMN O=C(Nc1ccccc1F)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000014211610 563910444 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Clc1ccc(OCCCSC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000015456892 182003422 /nfs/dbraw/zinc/00/34/22/182003422.db2.gz ZZTNNXBYPUKSHP-GASCZTMLSA-N 0 1 324.877 4.113 50 0 DIAAMN COc1cc(CN2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000015837455 182020647 /nfs/dbraw/zinc/02/06/47/182020647.db2.gz MYRLQLZYFUSSTQ-IBGZPJMESA-N 0 1 315.388 4.180 50 0 DIAAMN CCc1ccc(CN2CCN(Cc3ccc(CC)cc3)CC2)cc1 ZINC000019842316 182155772 /nfs/dbraw/zinc/15/57/72/182155772.db2.gz QBGZWAOKVWUNSN-UHFFFAOYSA-N 0 1 322.496 4.129 50 0 DIAAMN CCOc1ccc(CN2CCC[C@@H]2c2c(C)noc2CC)cc1 ZINC000021720920 182286596 /nfs/dbraw/zinc/28/65/96/182286596.db2.gz XLPSFYAFRNXDSV-QGZVFWFLSA-N 0 1 314.429 4.281 50 0 DIAAMN C/C=C/c1ccc(OCc2nc3ccc(OC)cc3[nH]2)c(OC)c1 ZINC000021658818 182282621 /nfs/dbraw/zinc/28/26/21/182282621.db2.gz ZUMYEHLZMWMZIE-SNAWJCMRSA-N 0 1 324.380 4.192 50 0 biogenic DIAAMN CN(Cc1cccc(Cl)c1Cl)C[C@H](O)c1ccccc1 ZINC000023280106 182355742 /nfs/dbraw/zinc/35/57/42/182355742.db2.gz NPKAJJMXYLLONV-HNNXBMFYSA-N 0 1 310.224 4.159 50 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