smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1ccsc1CNCc1ccsc1 ZINC000063152679 1121923641 /nfs/dbraw/zinc/92/36/41/1121923641.db2.gz MSAQTAWMHPCPEP-UHFFFAOYSA-N 0 1 288.235 3.862 50 0 CHAAMN Fc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000254295811 1127924785 /nfs/dbraw/zinc/92/47/85/1127924785.db2.gz FIQZKWPZUNMPKC-UHFFFAOYSA-N 0 1 283.228 3.686 50 0 CHAAMN CCOC[C@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000072976363 1117858714 /nfs/dbraw/zinc/85/87/14/1117858714.db2.gz NMCVFPWZULGJSC-ZDUSSCGKSA-N 0 1 290.432 3.545 50 0 CHAAMN O=C(NC(=O)c1ccc(Cl)cc1)Sc1ccccc1 ZINC000000108062 1118108879 /nfs/dbraw/zinc/10/88/79/1118108879.db2.gz MGRNUGAIMUEEHN-UHFFFAOYSA-N 0 1 291.759 3.982 50 0 CHAAMN CCS[C@H]1CC[C@H](N(C)Cc2csc(C)n2)C1 ZINC000078947882 1118335538 /nfs/dbraw/zinc/33/55/38/1118335538.db2.gz SPHOTXIWNLCTLH-STQMWFEESA-N 0 1 270.467 3.558 50 0 CHAAMN COc1cc(C=NNc2ccccn2)ccc1OCC(C)C ZINC000013135843 1119774866 /nfs/dbraw/zinc/77/48/66/1119774866.db2.gz IGEFMKNAQJPRFA-UHFFFAOYSA-N 0 1 299.374 3.571 50 0 CHAAMN CCc1cc(CNCc2ccc(-c3ccc(F)cc3)o2)[nH]n1 ZINC000069980860 1121261235 /nfs/dbraw/zinc/26/12/35/1121261235.db2.gz RLMSAOBONLDYLP-UHFFFAOYSA-N 0 1 299.349 3.661 50 0 CHAAMN Cc1noc(C)c1CN(Cc1ccco1)C1CCCC1 ZINC000052077182 1121646807 /nfs/dbraw/zinc/64/68/07/1121646807.db2.gz KLMBOAVZBWJOFG-UHFFFAOYSA-N 0 1 274.364 3.829 50 0 CHAAMN CC[C@H](NC(=O)c1c(C)n[nH]c1C1CC1)c1cccs1 ZINC000822662154 1121966873 /nfs/dbraw/zinc/96/68/73/1121966873.db2.gz LRVXORJUYOZGQB-NSHDSACASA-N 0 1 289.404 3.538 50 0 CHAAMN C[C@@H]1CCCCN1CC(=O)Nc1ccc2ccccc2c1 ZINC000003583647 1122672998 /nfs/dbraw/zinc/67/29/98/1122672998.db2.gz PPDZGUSTWMPKCN-CQSZACIVSA-N 0 1 282.387 3.653 50 0 CHAAMN COCc1cc(CN(C)Cc2ccsc2)ccc1OC ZINC000215690637 1125426820 /nfs/dbraw/zinc/42/68/20/1125426820.db2.gz FKOYAUUXWBZMHU-UHFFFAOYSA-N 0 1 291.416 3.535 50 0 CHAAMN c1ccc2c(c1)c1ccccc1n2CCCN1CCOCC1 ZINC000019855664 1129846301 /nfs/dbraw/zinc/84/63/01/1129846301.db2.gz FSCCHAOQJAMNDN-UHFFFAOYSA-N 0 1 294.398 3.517 50 0 CHAAMN C[C@@H](NC(c1ccccc1)c1ccccc1)c1ccnn1C ZINC000192245927 1131907346 /nfs/dbraw/zinc/90/73/46/1131907346.db2.gz ALVSJUZCBNKPHY-OAHLLOKOSA-N 0 1 291.398 3.860 50 0 CHAAMN Fc1ccc(CN2CCCCCC2)cc1Br ZINC000004977921 170048292 /nfs/dbraw/zinc/04/82/92/170048292.db2.gz QUVLKVFSBXEMRH-UHFFFAOYSA-N 0 1 286.188 3.964 50 0 CHAAMN Cc1ccc2nc(CCC(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000004999427 170052783 /nfs/dbraw/zinc/05/27/83/170052783.db2.gz VJJUYQUFWVSACA-UHFFFAOYSA-N 0 1 297.333 3.582 50 0 CHAAMN CSc1ccccc1NC(=O)c1onc(C)c1Cl ZINC000005006967 170054090 /nfs/dbraw/zinc/05/40/90/170054090.db2.gz VBMAOANNQDDIRB-UHFFFAOYSA-N 0 1 282.752 3.611 50 0 CHAAMN Cc1cc(CSc2nc3ccc(Cl)cc3[nH]2)no1 ZINC000005270554 170081751 /nfs/dbraw/zinc/08/17/51/170081751.db2.gz HQBKWHNGACALPT-UHFFFAOYSA-N 0 1 279.752 3.805 50 0 CHAAMN CC[C@H]1CCCCN1CC(=O)c1c[nH]c2ccc(C)cc12 ZINC000005561848 170114095 /nfs/dbraw/zinc/11/40/95/170114095.db2.gz CZZCNCFZJXNAEH-AWEZNQCLSA-N 0 1 284.403 3.924 50 0 CHAAMN S=c1[nH]nc(SCc2ccccc2Cl)s1 ZINC000005731314 170134532 /nfs/dbraw/zinc/13/45/32/170134532.db2.gz BFPAFAVRAFFYQK-UHFFFAOYSA-N 0 1 274.823 3.773 50 0 CHAAMN COc1ccc(-c2c(C)oc3c(C)c(O)ccc3c2=O)cc1 ZINC000006383544 170196664 /nfs/dbraw/zinc/19/66/64/170196664.db2.gz FFIZRCKNCPPQNH-UHFFFAOYSA-N 0 1 296.322 3.791 50 0 biogenic CHAAMN CC(=O)Nc1ccc(Oc2ccc3nc(C)[nH]c3c2)cc1 ZINC000006499225 170206946 /nfs/dbraw/zinc/20/69/46/170206946.db2.gz SLVPQPIWUUYFGR-UHFFFAOYSA-N 0 1 281.315 3.622 50 0 CHAAMN CCn1c2ccccc2nc1[C@H](C)N1CCCCC1 ZINC000006745989 170238915 /nfs/dbraw/zinc/23/89/15/170238915.db2.gz CGPXQHLRSFVUHO-ZDUSSCGKSA-N 0 1 257.381 3.603 50 0 CHAAMN CC(C)CN(CC(C)C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000006943003 170257424 /nfs/dbraw/zinc/25/74/24/170257424.db2.gz MGSBFDUDWJLRCW-UHFFFAOYSA-N 0 1 299.418 3.831 50 0 CHAAMN Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)n[nH]2)cc1C ZINC000006943142 170257520 /nfs/dbraw/zinc/25/75/20/170257520.db2.gz HLWSYHZFDGZOOY-AWEZNQCLSA-N 0 1 297.402 3.708 50 0 CHAAMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)c1cccc(Cl)c1 ZINC000007139168 170268378 /nfs/dbraw/zinc/26/83/78/170268378.db2.gz OXFTZUGGCOJIBB-SNVBAGLBSA-N 0 1 299.761 3.707 50 0 CHAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1-c1ccc(Cl)cc1 ZINC000008580425 170341979 /nfs/dbraw/zinc/34/19/79/170341979.db2.gz XOGIDJWLCNSFFI-UHFFFAOYSA-N 0 1 284.746 3.794 50 0 CHAAMN c1cnc2c(c1)cccc2CSC1=N[C@@H]2CCCC[C@H]2N1 ZINC000008935662 170359337 /nfs/dbraw/zinc/35/93/37/170359337.db2.gz HMSGAMFZHSIYBJ-HUUCEWRRSA-N 0 1 297.427 3.738 50 0 CHAAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1Cc1ccccc1 ZINC000009052072 170362704 /nfs/dbraw/zinc/36/27/04/170362704.db2.gz MWHFPORMWDFMBB-UHFFFAOYSA-N 0 1 298.773 3.718 50 0 CHAAMN C[C@H]1CCCCN1Cc1ccc(Br)cc1 ZINC000009998196 170393965 /nfs/dbraw/zinc/39/39/65/170393965.db2.gz OBBKUSZEBQMHCN-NSHDSACASA-N 0 1 268.198 3.824 50 0 CHAAMN Cc1cc([C@@H]2CCCN2Cc2ccc(C)cc2C)no1 ZINC000021719792 171320764 /nfs/dbraw/zinc/32/07/64/171320764.db2.gz GJURMXFFCKGFOG-KRWDZBQOSA-N 0 1 270.376 3.937 50 0 CHAAMN CCCCn1c2ccccc2nc1[C@H](C)N1CCCC1 ZINC000021785140 171322659 /nfs/dbraw/zinc/32/26/59/171322659.db2.gz NSCOTBOOBOWWRH-AWEZNQCLSA-N 0 1 271.408 3.993 50 0 CHAAMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1ccc(F)cc1 ZINC000022613659 171394311 /nfs/dbraw/zinc/39/43/11/171394311.db2.gz ZAIDUJGRYXQJBI-MRVPVSSYSA-N 0 1 263.341 3.675 50 0 CHAAMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1ccc(F)cc1 ZINC000022613659 171394312 /nfs/dbraw/zinc/39/43/12/171394312.db2.gz ZAIDUJGRYXQJBI-MRVPVSSYSA-N 0 1 263.341 3.675 50 0 CHAAMN COc1ccc(CN[C@@H](C)c2ccco2)cc1OC(F)F ZINC000035137067 172003799 /nfs/dbraw/zinc/00/37/99/172003799.db2.gz KHOFHBMEGNDKAP-JTQLQIEISA-N 0 1 297.301 3.740 50 0 CHAAMN Nc1n[nH]c(=S)n1-c1ccc(C2CC2)c2ccccc21 ZINC000040435315 174261513 /nfs/dbraw/zinc/26/15/13/174261513.db2.gz VHPOGQZYQNLNNN-UHFFFAOYSA-N 0 1 282.372 3.543 50 0 CHAAMN COc1ccccc1C(C)(C)NCc1ccsc1 ZINC000071799219 176265702 /nfs/dbraw/zinc/26/57/02/176265702.db2.gz VBFJHURITMHLPJ-UHFFFAOYSA-N 0 1 261.390 3.782 50 0 CHAAMN Cc1ccc2nc(Cn3ccnc3[C@H]3CC=CCC3)[nH]c2c1 ZINC000072149261 176326340 /nfs/dbraw/zinc/32/63/40/176326340.db2.gz WIQLNJPXNFVIOU-AWEZNQCLSA-N 0 1 292.386 3.940 50 0 CHAAMN COCCC[C@@H]1CCCCN1Cc1csc(C(C)=O)c1 ZINC000077288157 177249503 /nfs/dbraw/zinc/24/95/03/177249503.db2.gz AJNZQMQJEZUZTD-HNNXBMFYSA-N 0 1 295.448 3.732 50 0 CHAAMN CS(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000000610677 326792670 /nfs/dbraw/zinc/79/26/70/326792670.db2.gz GZIRUZRHOISJLG-UHFFFAOYSA-N 0 1 297.763 3.504 50 0 CHAAMN c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCc1cccnc1 ZINC000176636759 335315324 /nfs/dbraw/zinc/31/53/24/335315324.db2.gz VHIMWFDRLBRGBF-INIZCTEOSA-N 0 1 280.371 3.618 50 0 CHAAMN CCN(CC)SC(=S)C=C(O)c1ccccc1 ZINC000239563236 566825238 /nfs/dbraw/zinc/82/52/38/566825238.db2.gz ZEJUNKLXANOMGC-UHFFFAOYSA-N 0 1 267.419 3.577 50 0 CHAAMN Cc1noc([C@@H](C)Sc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000012824903 566906478 /nfs/dbraw/zinc/90/64/78/566906478.db2.gz OMSMHRDYEWKVLL-ZCFIWIBFSA-N 0 1 294.767 3.761 50 0 CHAAMN Cc1ccc(C)c(NC(=O)CCc2ccc3nc[nH]c3c2)c1 ZINC000075478830 566957620 /nfs/dbraw/zinc/95/76/20/566957620.db2.gz YRRAGBWFGZZABQ-UHFFFAOYSA-N 0 1 293.370 3.751 50 0 CHAAMN CC(C)c1nc2ccc(CCC(=O)NC3CCCC3)cc2[nH]1 ZINC000075478727 566959087 /nfs/dbraw/zinc/95/90/87/566959087.db2.gz JNZUXOHTDJOVPY-UHFFFAOYSA-N 0 1 299.418 3.678 50 0 CHAAMN Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CCCC(=O)[O-])cc1 ZINC000151157699 566960912 /nfs/dbraw/zinc/96/09/12/566960912.db2.gz FGGNKJCLSLMTSC-WMLDXEAASA-N 0 1 275.392 3.633 50 0 CHAAMN CCC[C@H](O)CN(Cc1ccco1)Cc1cccc(C)c1 ZINC000036098650 566994733 /nfs/dbraw/zinc/99/47/33/566994733.db2.gz CWFMGLCMPNSLFA-KRWDZBQOSA-N 0 1 287.403 3.751 50 0 CHAAMN c1coc(CN[C@@H]2CCCSc3ccccc32)c1 ZINC000095419187 567039087 /nfs/dbraw/zinc/03/90/87/567039087.db2.gz SPERLRJDECKECP-CQSZACIVSA-N 0 1 259.374 3.996 50 0 CHAAMN Cc1ccc(O)c(-c2cc(-c3ccccc3F)n[nH]2)c1 ZINC000013126310 567116988 /nfs/dbraw/zinc/11/69/88/567116988.db2.gz LJNZETUEEBQTFK-UHFFFAOYSA-N 0 1 268.291 3.897 50 0 CHAAMN CCOc1ccc2ccccc2c1CNCc1ccccn1 ZINC000000360648 567826612 /nfs/dbraw/zinc/82/66/12/567826612.db2.gz VALOPOCGWCCTPC-UHFFFAOYSA-N 0 1 292.382 3.923 50 0 CHAAMN CCCCCC[C@@H](C(=O)OC(C)C)N1CCCCC1 ZINC000096026412 567835084 /nfs/dbraw/zinc/83/50/84/567835084.db2.gz RTFRDOBETQOWMF-HNNXBMFYSA-N 0 1 269.429 3.763 50 0 CHAAMN COC(=O)c1ccc(CN[C@@H](c2cccs2)C(C)C)o1 ZINC000035046627 567852870 /nfs/dbraw/zinc/85/28/70/567852870.db2.gz NBBXNFIEZQCPDJ-CQSZACIVSA-N 0 1 293.388 3.615 50 0 CHAAMN C[C@@H](N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003708667 567853545 /nfs/dbraw/zinc/85/35/45/567853545.db2.gz KUWRUGPKOMAJOU-SSDOTTSWSA-N 0 1 283.194 3.592 50 0 CHAAMN COCCNc1cc(-c2ccccc2)nc2ccccc21 ZINC000004336332 567857042 /nfs/dbraw/zinc/85/70/42/567857042.db2.gz PEIIFDWFMJRMGN-UHFFFAOYSA-N 0 1 278.355 3.960 50 0 CHAAMN CCOc1ccccc1CNCc1ccc(F)cc1 ZINC000004657554 567858920 /nfs/dbraw/zinc/85/89/20/567858920.db2.gz KFLMEHICAIRPBS-UHFFFAOYSA-N 0 1 259.324 3.514 50 0 CHAAMN COc1ccc(CN2Cc3ccccc3O[C@@H](C)C2)cc1C ZINC000012163602 567862197 /nfs/dbraw/zinc/86/21/97/567862197.db2.gz SHVADMUZIRGVLO-HNNXBMFYSA-N 0 1 297.398 3.787 50 0 CHAAMN c1c(-c2ccccc2)n[nH]c1-c1nc(-c2ccccc2)no1 ZINC000012415362 567862950 /nfs/dbraw/zinc/86/29/50/567862950.db2.gz WSDACFOWNYFYPU-UHFFFAOYSA-N 0 1 288.310 3.794 50 0 CHAAMN CC[C@@H]1CCCCN1CC(=O)c1c(C)[nH]c2ccccc21 ZINC000004336974 567863666 /nfs/dbraw/zinc/86/36/66/567863666.db2.gz MQENFRBYUSXJEN-CQSZACIVSA-N 0 1 284.403 3.924 50 0 CHAAMN Cc1cc(N2CCCC[C@@H]2C)nc(-c2ccccc2O)n1 ZINC000013121768 567864965 /nfs/dbraw/zinc/86/49/65/567864965.db2.gz FMZBBVHDLZXBKP-ZDUSSCGKSA-N 0 1 283.375 3.536 50 0 CHAAMN COc1ccc(O)c(-c2cc(-c3ccc(F)cc3)[nH]n2)c1 ZINC000013126629 567865160 /nfs/dbraw/zinc/86/51/60/567865160.db2.gz GMUNLEHOPQJWRQ-UHFFFAOYSA-N 0 1 284.290 3.597 50 0 CHAAMN Cc1ccc(SCc2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC000013611606 567866613 /nfs/dbraw/zinc/86/66/13/567866613.db2.gz YMWUUTVEBVQQTL-UHFFFAOYSA-N 0 1 296.395 3.766 50 0 CHAAMN Cc1ccc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000016193425 567872137 /nfs/dbraw/zinc/87/21/37/567872137.db2.gz BSCUWRHXLUUACY-CALCHBBNSA-N 0 1 291.435 3.572 50 0 CHAAMN CSc1nc2ccc(NCc3ccccc3)cc2[nH]1 ZINC000019880644 567879818 /nfs/dbraw/zinc/87/98/18/567879818.db2.gz TVOBLJKQKSHDPJ-UHFFFAOYSA-N 0 1 269.373 3.897 50 0 CHAAMN CCCCN[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004603260 567892868 /nfs/dbraw/zinc/89/28/68/567892868.db2.gz GIICTNPUJIMYDY-GOSISDBHSA-N 0 1 294.398 3.731 50 0 CHAAMN CCc1nc2ccccc2n1[C@H](CC)c1nnc(C2CC2)[nH]1 ZINC000065417559 567898939 /nfs/dbraw/zinc/89/89/39/567898939.db2.gz SRKOICDWQMZFFT-CYBMUJFWSA-N 0 1 295.390 3.594 50 0 CHAAMN CCN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067741145 567900293 /nfs/dbraw/zinc/90/02/93/567900293.db2.gz NYAGTEBEDHQWBV-UHFFFAOYSA-N 0 1 283.371 3.582 50 0 CHAAMN Oc1ccc(-c2nc(-c3cccs3)no2)cc1Cl ZINC000097212431 567905754 /nfs/dbraw/zinc/90/57/54/567905754.db2.gz YZWDMCNHAJAGPV-UHFFFAOYSA-N 0 1 278.720 3.824 50 0 CHAAMN O=c1cc(-c2ccc(Cl)cc2)[nH]n1-c1ccccc1 ZINC000100070108 567911336 /nfs/dbraw/zinc/91/13/36/567911336.db2.gz BMYYACBMCIIUKF-UHFFFAOYSA-N 0 1 270.719 3.898 50 0 CHAAMN C[C@@H]1CCCC[C@H]1n1c(=O)c2ccccc2[nH]c1=S ZINC000000425225 567930387 /nfs/dbraw/zinc/93/03/87/567930387.db2.gz LWNRFDYFXURUJL-ZWNOBZJWSA-N 0 1 274.389 3.810 50 0 CHAAMN CC(C)[C@@H]1CC[C@@H](C)C(=C(O)c2ccccc2)C1=O ZINC000034543583 567940750 /nfs/dbraw/zinc/94/07/50/567940750.db2.gz VPTKSNILIUZETI-VHDGCEQUSA-N 0 1 258.361 3.757 50 0 CHAAMN CCN(CC)Cc1cccnc1Oc1ccccc1OC ZINC000221272250 567948614 /nfs/dbraw/zinc/94/86/14/567948614.db2.gz XYQWTEFCWBXSTB-UHFFFAOYSA-N 0 1 286.375 3.724 50 0 CHAAMN O=[N+]([O-])c1ccccc1NN=Cc1ccccc1Cl ZINC000013512390 570235887 /nfs/dbraw/zinc/23/58/87/570235887.db2.gz VMYPXLBUMROAIU-UHFFFAOYSA-N 0 1 275.695 3.694 50 0 CHAAMN C[C@H](N[C@H]1c2ccccc2CCC1(C)C)c1nccn1C ZINC000097038234 570251656 /nfs/dbraw/zinc/25/16/56/570251656.db2.gz 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567857256 /nfs/dbraw/zinc/85/72/56/567857256.db2.gz DJSKSKCQEQMUQF-UHFFFAOYSA-N 0 1 267.159 3.678 50 0 CHAAMN Cc1oc2c(C)c(O)ccc2c(=O)c1-c1ccccc1F ZINC000032634062 567863966 /nfs/dbraw/zinc/86/39/66/567863966.db2.gz PBTPRDGFEDRDIM-UHFFFAOYSA-N 0 1 284.286 3.922 50 0 CHAAMN Cc1cccc2nc(COc3ccccc3C)[nH]c21 ZINC000016902407 567873663 /nfs/dbraw/zinc/87/36/63/567873663.db2.gz CMRMWVXNBVHAIO-UHFFFAOYSA-N 0 1 252.317 3.759 50 0 CHAAMN CCOC(=O)[C@H]1CCCCN1Cc1cccc2ccccc21 ZINC000000237950 567887246 /nfs/dbraw/zinc/88/72/46/567887246.db2.gz ZAHBOYXTZKYJPO-GOSISDBHSA-N 0 1 297.398 3.757 50 0 CHAAMN c1cncc([C@H]2CCCCN2Cc2ccc3c(c2)OCO3)c1 ZINC000000366813 567887272 /nfs/dbraw/zinc/88/72/72/567887272.db2.gz CMRZIZXFAXBMRS-MRXNPFEDSA-N 0 1 296.370 3.538 50 0 biogenic CHAAMN Clc1cccc(OCCCCCCN2CCOCC2)c1 ZINC000023115491 567888084 /nfs/dbraw/zinc/88/80/84/567888084.db2.gz JOKZBFHWXMPALV-UHFFFAOYSA-N 0 1 297.826 3.611 50 0 CHAAMN CCc1cc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2)on1 ZINC000064667032 567898150 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CC[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000191411165 566954244 /nfs/dbraw/zinc/95/42/44/566954244.db2.gz PAFJVXWUNADQJN-GFCCVEGCSA-N 0 1 290.190 3.679 50 0 CHAAMN CO[C@@H](C)c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000426712783 566990089 /nfs/dbraw/zinc/99/00/89/566990089.db2.gz QKRKBDONXAJTJS-QMMMGPOBSA-N 0 1 270.254 3.803 50 0 CHAAMN c1cc2c(s1)SCc1ccccc1[C@H]2c1c[nH]cn1 ZINC000138105496 567092694 /nfs/dbraw/zinc/09/26/94/567092694.db2.gz MZOISKJAKIFWPQ-ZIAGYGMSSA-N 0 1 284.409 3.967 50 0 CHAAMN Cc1ccccc1[C@@H](NCc1ncc[nH]1)C(C)(C)C ZINC000080347436 567129442 /nfs/dbraw/zinc/12/94/42/567129442.db2.gz RJOQDENIAXTRHU-OAHLLOKOSA-N 0 1 257.381 3.595 50 0 CHAAMN O[C@@]1(c2ccccc2)c2ccccc2N=C2CCCCCN21 ZINC000000482089 567832645 /nfs/dbraw/zinc/83/26/45/567832645.db2.gz HRVYRYGFPZSANZ-IBGZPJMESA-N 0 1 292.382 3.800 50 0 CHAAMN S=c1[nH]nc(Nc2ccccc2)n1-c1ccccc1 ZINC000002472777 567845823 /nfs/dbraw/zinc/84/58/23/567845823.db2.gz ADVANMXLTWBUFC-UHFFFAOYSA-N 0 1 268.345 3.673 50 0 CHAAMN CC1(C)Cc2n[nH]c(C=Cc3ccccc3)c2C(=O)C1 ZINC000004006424 567854715 /nfs/dbraw/zinc/85/47/15/567854715.db2.gz XXBZYMRPXWOLAK-CMDGGOBGSA-N 0 1 266.344 3.735 50 0 CHAAMN C[C@@H]1CCc2c(sc3[nH]c(=S)[nH]c(=S)c23)C1 ZINC000004204856 567855878 /nfs/dbraw/zinc/85/58/78/567855878.db2.gz IJLMMUJHXJBGAF-RXMQYKEDSA-N 0 1 268.432 3.767 50 0 CHAAMN CC[C@H]1CCCCN1Cc1cc(Cl)cc2c1OCOC2 ZINC000016695699 567873620 /nfs/dbraw/zinc/87/36/20/567873620.db2.gz HQVRDTIOJOQVGL-HNNXBMFYSA-N 0 1 295.810 3.971 50 0 CHAAMN Cc1nc2ccc(NC(=O)CSc3ccccc3)cc2[nH]1 ZINC000018039328 567876167 /nfs/dbraw/zinc/87/61/67/567876167.db2.gz XZUQNTONMBPQSJ-UHFFFAOYSA-N 0 1 297.383 3.602 50 0 CHAAMN CC1=Nc2ccccc2C1N=Nc1ccccc1F ZINC000254907379 567881372 /nfs/dbraw/zinc/88/13/72/567881372.db2.gz YZNKEBRQAYINTM-UHFFFAOYSA-N 0 1 253.280 3.748 50 0 CHAAMN CCOc1ccc2nc(SC[C@H]3CCCCO3)[nH]c2c1 ZINC000023039065 567881692 /nfs/dbraw/zinc/88/16/92/567881692.db2.gz ZYWZXPZKQXAFAG-GFCCVEGCSA-N 0 1 292.404 3.623 50 0 CHAAMN c1cc2c(cccc2CNc2cccc3[nH]ncc32)[nH]1 ZINC000080354268 567882537 /nfs/dbraw/zinc/88/25/37/567882537.db2.gz IUUBCLVJNSMYBH-UHFFFAOYSA-N 0 1 262.316 3.656 50 0 CHAAMN Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 ZINC000029482549 567884532 /nfs/dbraw/zinc/88/45/32/567884532.db2.gz OYEJRESJVGFPIJ-SFHVURJKSA-N 0 1 294.398 3.553 50 0 CHAAMN CCC(=O)Nc1ccc([C@H](C)NCc2ccc(C)o2)cc1 ZINC000030640824 567884808 /nfs/dbraw/zinc/88/48/08/567884808.db2.gz MVJIWSGBQFMRNG-ZDUSSCGKSA-N 0 1 286.375 3.787 50 0 CHAAMN CC(=O)c1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1O ZINC000030822732 567884851 /nfs/dbraw/zinc/88/48/51/567884851.db2.gz JFIUEDSTMHEBEL-UHFFFAOYSA-N 0 1 294.306 3.677 50 0 biogenic CHAAMN O=C(CNCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003897123 567888439 /nfs/dbraw/zinc/88/84/39/567888439.db2.gz QVYNJEKIYOVTPN-UHFFFAOYSA-N 0 1 283.415 3.562 50 0 CHAAMN Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1O ZINC000036894516 567889766 /nfs/dbraw/zinc/88/97/66/567889766.db2.gz VIFGEAGVLKMFTI-UHFFFAOYSA-N 0 1 258.708 3.897 50 0 CHAAMN CCN(Cc1ccccc1)Cc1cc(OC)ccc1OC ZINC000004599178 567892385 /nfs/dbraw/zinc/89/23/85/567892385.db2.gz CQTFZTDHZRMZOW-UHFFFAOYSA-N 0 1 285.387 3.726 50 0 CHAAMN C/C(=C\c1ccco1)CN(C)[C@H](C)c1ccccn1 ZINC000065453652 567898963 /nfs/dbraw/zinc/89/89/63/567898963.db2.gz SDPKZBDAMAWMGJ-YPDDLIOESA-N 0 1 256.349 3.771 50 0 CHAAMN COc1ccc(CN(C)[C@@H](C)c2ccccn2)c(C)c1C ZINC000065429817 567899279 /nfs/dbraw/zinc/89/92/79/567899279.db2.gz GIVSZZCCKXCVCK-HNNXBMFYSA-N 0 1 284.403 3.900 50 0 CHAAMN Cc1ccsc1CNCc1nc2c(ccc(C)c2C)[nH]1 ZINC000067694879 567899964 /nfs/dbraw/zinc/89/99/64/567899964.db2.gz KTNMJQIGBSNCTC-UHFFFAOYSA-N 0 1 285.416 3.839 50 0 CHAAMN Cc1ccc2nc(CN(C)[C@@H](C)c3ccco3)[nH]c2c1C ZINC000067559955 567900112 /nfs/dbraw/zinc/90/01/12/567900112.db2.gz VMYGSJDNNLWONK-ZDUSSCGKSA-N 0 1 283.375 3.966 50 0 CHAAMN CCCC[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000067920330 567900927 /nfs/dbraw/zinc/90/09/27/567900927.db2.gz IHZZRISGPWRSPO-AWEZNQCLSA-N 0 1 261.365 3.539 50 0 CHAAMN Cc1ccc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)o1 ZINC000072426282 567902649 /nfs/dbraw/zinc/90/26/49/567902649.db2.gz NYINODKBOAJIBR-QGZVFWFLSA-N 0 1 297.398 3.612 50 0 CHAAMN Cc1ccc([C@H](NCc2cnn(C)c2)c2cccs2)cc1 ZINC000097123794 567904406 /nfs/dbraw/zinc/90/44/06/567904406.db2.gz CEUUJAIUNNTZLK-KRWDZBQOSA-N 0 1 297.427 3.669 50 0 CHAAMN Fc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cn1 ZINC000085221545 567907144 /nfs/dbraw/zinc/90/71/44/567907144.db2.gz IEWUZENYCKPNRD-UHFFFAOYSA-N 0 1 281.212 3.783 50 0 CHAAMN CSc1ccc(-c2ccc(CN(C)C)cn2)cc1 ZINC000097515165 567910390 /nfs/dbraw/zinc/91/03/90/567910390.db2.gz UXLBYQOFFUAEIN-UHFFFAOYSA-N 0 1 258.390 3.532 50 0 CHAAMN Cc1ccc(-n2[nH]c(-c3ccccc3C)cc2=O)cc1 ZINC000100070175 567911188 /nfs/dbraw/zinc/91/11/88/567911188.db2.gz NHEGDBCEDFSEGR-UHFFFAOYSA-N 0 1 264.328 3.862 50 0 CHAAMN Cc1nc(CN2CC[C@@H]2c2ccc(F)cc2)c2ccccn12 ZINC000102534588 567915364 /nfs/dbraw/zinc/91/53/64/567915364.db2.gz PCKOBNGFGONWGE-QGZVFWFLSA-N 0 1 295.361 3.729 50 0 CHAAMN CC(C)(C)c1ccc(C(=O)c2ccc(O)cc2O)cc1 ZINC000000165453 567924139 /nfs/dbraw/zinc/92/41/39/567924139.db2.gz VVEFXKUGUXUOSZ-UHFFFAOYSA-N 0 1 270.328 3.626 50 0 CHAAMN c1cc(Nc2ncnc3sc4c(c32)CCCC4)ccn1 ZINC000000198596 567924978 /nfs/dbraw/zinc/92/49/78/567924978.db2.gz MKOIGXNFXWPEKR-UHFFFAOYSA-N 0 1 282.372 3.709 50 0 CHAAMN COc1ccc([C@@H](NCc2cccc(F)n2)C(C)C)cc1 ZINC000408513780 567927679 /nfs/dbraw/zinc/92/76/79/567927679.db2.gz CVWYYMRHWGKSSO-KRWDZBQOSA-N 0 1 288.366 3.716 50 0 CHAAMN O=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)n[nH]1 ZINC000051315677 567944050 /nfs/dbraw/zinc/94/40/50/567944050.db2.gz HFUJRLBCNJBOLQ-UHFFFAOYSA-N 0 1 287.319 3.530 50 0 CHAAMN Cc1cc(C)c(CN[C@H](C)c2nnc3ccccn32)c(C)c1 ZINC000015593800 567944066 /nfs/dbraw/zinc/94/40/66/567944066.db2.gz DTWXSAVLINWTFK-OAHLLOKOSA-N 0 1 294.402 3.505 50 0 CHAAMN CC(C)n1cncc1CN(C)CCn1ccc2ccccc21 ZINC000216181836 567947627 /nfs/dbraw/zinc/94/76/27/567947627.db2.gz NKAKFAZGWHOIGW-UHFFFAOYSA-N 0 1 296.418 3.551 50 0 CHAAMN COc1cccc2cc([C@@H](C)NCc3cccc(O)c3)oc21 ZINC000058169170 567948464 /nfs/dbraw/zinc/94/84/64/567948464.db2.gz HGEAMNDMGQPFCJ-GFCCVEGCSA-N 0 1 297.354 3.998 50 0 CHAAMN CC[C@H](C)N(Cc1ccsc1)Cc1[nH]cnc1C ZINC000055359416 570242843 /nfs/dbraw/zinc/24/28/43/570242843.db2.gz ITUVYRWOBVVCGP-NSHDSACASA-N 0 1 263.410 3.580 50 0 CHAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1CC=C(Cl)Cl ZINC000000494781 570283070 /nfs/dbraw/zinc/28/30/70/570283070.db2.gz JNLNZHBQHVDQJD-NSHDSACASA-N 0 1 283.158 3.734 50 0 CHAAMN Nc1ncccc1C[N@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000215128705 570302467 /nfs/dbraw/zinc/30/24/67/570302467.db2.gz AWNUNOMNQZSAMF-QGZVFWFLSA-N 0 1 299.393 3.920 50 0 CHAAMN Nc1ncccc1CN1CCCCC[C@@H]1c1cccc(F)c1 ZINC000215128705 570302470 /nfs/dbraw/zinc/30/24/70/570302470.db2.gz AWNUNOMNQZSAMF-QGZVFWFLSA-N 0 1 299.393 3.920 50 0 CHAAMN Cc1ccc(C2=NN(c3ccc(C)cc3)CC2=O)cc1 ZINC000215849842 570304174 /nfs/dbraw/zinc/30/41/74/570304174.db2.gz GSNLHEVYLRJRPQ-UHFFFAOYSA-N 0 1 264.328 3.862 50 0 CHAAMN C[N@@H+](Cc1cc(Cl)ccc1F)[C@H]1CCOC(C)(C)C1 ZINC000215817099 570304293 /nfs/dbraw/zinc/30/42/93/570304293.db2.gz PRNBXJNZIICLAH-ZDUSSCGKSA-N 0 1 285.790 3.869 50 0 CHAAMN Cc1nc(CC[N@H+]2CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000244701179 570321083 /nfs/dbraw/zinc/32/10/83/570321083.db2.gz KBPKCDYTUSBBHN-OAHLLOKOSA-N 0 1 276.380 3.580 50 0 CHAAMN Cc1nc(CCN2CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000244701179 570321084 /nfs/dbraw/zinc/32/10/84/570321084.db2.gz KBPKCDYTUSBBHN-OAHLLOKOSA-N 0 1 276.380 3.580 50 0 CHAAMN C[C@@H](NCc1cccc(OC(F)F)c1)c1cncc(F)c1 ZINC000089520259 570348442 /nfs/dbraw/zinc/34/84/42/570348442.db2.gz NLUPGGYRZZOFBH-SNVBAGLBSA-N 0 1 296.292 3.673 50 0 CHAAMN Cn1cccc1CN[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000089917934 570370962 /nfs/dbraw/zinc/37/09/62/570370962.db2.gz NJEFZUUWYOFUQN-HNNXBMFYSA-N 0 1 288.366 3.556 50 0 CHAAMN CC[C@H](C)[C@@H](NCc1nccn1C)c1ccc(Cl)cc1 ZINC000253417912 570385367 /nfs/dbraw/zinc/38/53/67/570385367.db2.gz NIKWKRILYGAPOL-BLLLJJGKSA-N 0 1 291.826 3.951 50 0 CHAAMN COc1ccc(-c2cnc(CN3CCC(C)CC3)o2)cc1 ZINC000041362377 570403630 /nfs/dbraw/zinc/40/36/30/570403630.db2.gz SNFHJYJSKGFFJX-UHFFFAOYSA-N 0 1 286.375 3.582 50 0 CHAAMN Cc1ccccc1CNc1nccn1-c1ccccc1 ZINC000170613683 1126996525 /nfs/dbraw/zinc/99/65/25/1126996525.db2.gz HZWOSZQQURVCAU-UHFFFAOYSA-N 0 1 263.344 3.793 50 0 CHAAMN Fc1ccc(CNc2nccn2-c2ccccc2)c(F)c1 ZINC000225449336 1128164222 /nfs/dbraw/zinc/16/42/22/1128164222.db2.gz GFULFHZAJQJUJO-UHFFFAOYSA-N 0 1 285.297 3.763 50 0 CHAAMN Cc1cc(S(=O)(=O)Nc2cc(F)ccc2C)c(C)s1 ZINC000024070161 1119151155 /nfs/dbraw/zinc/15/11/55/1119151155.db2.gz SZPTVFBJLXKEOD-UHFFFAOYSA-N 0 1 299.392 3.613 50 0 CHAAMN CC(C)(C)C[C@@H](NCc1ccoc1)c1cccnc1 ZINC000952986676 1120210256 /nfs/dbraw/zinc/21/02/56/1120210256.db2.gz AIRLZCFXMPNHBW-OAHLLOKOSA-N 0 1 258.365 3.942 50 0 CHAAMN CC1(C)C[N@@H+](Cc2cscn2)C[C@@H]1c1ccccc1 ZINC000426503996 1122809068 /nfs/dbraw/zinc/80/90/68/1122809068.db2.gz MGNKFWJXHFHFQA-OAHLLOKOSA-N 0 1 272.417 3.769 50 0 CHAAMN CC1(C)CN(Cc2cscn2)C[C@@H]1c1ccccc1 ZINC000426503996 1122809069 /nfs/dbraw/zinc/80/90/69/1122809069.db2.gz MGNKFWJXHFHFQA-OAHLLOKOSA-N 0 1 272.417 3.769 50 0 CHAAMN Cc1nc2ccc(OC(=O)[C@@H]3CCCC(F)(F)C3)cc2[nH]1 ZINC000585086536 1131278963 /nfs/dbraw/zinc/27/89/63/1131278963.db2.gz DZKDOHJXAQPYJR-SNVBAGLBSA-N 0 1 294.301 3.602 50 0 CHAAMN Cc1cc(CNCc2cnc(Cl)s2)ccc1F ZINC000585117299 1131308907 /nfs/dbraw/zinc/30/89/07/1131308907.db2.gz XNZMQKLQHWAXCR-UHFFFAOYSA-N 0 1 270.760 3.534 50 0 CHAAMN Clc1ccccc1OCCCCCCN1CCOCC1 ZINC000019607551 1129846142 /nfs/dbraw/zinc/84/61/42/1129846142.db2.gz WBJKGYFSWILRRH-UHFFFAOYSA-N 0 1 297.826 3.611 50 0 CHAAMN CC[C@H](C)N(Cc1ccncc1)Cc1cccc2c1OCO2 ZINC000055403829 1130267394 /nfs/dbraw/zinc/26/73/94/1130267394.db2.gz OZWRGVZCCJBGGQ-AWEZNQCLSA-N 0 1 298.386 3.611 50 0 CHAAMN CNc1nc(C)cc(NC[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000952872297 1132014435 /nfs/dbraw/zinc/01/44/35/1132014435.db2.gz NHNSKLGYOWWBNR-SFHVURJKSA-N 0 1 296.418 3.607 50 0 CHAAMN Cc1cnc(-c2cccc(N[C@H]3CCCc4[nH]ncc43)c2)o1 ZINC000952845551 1132014582 /nfs/dbraw/zinc/01/45/82/1132014582.db2.gz UGQAYRFVXUQYCR-HNNXBMFYSA-N 0 1 294.358 3.863 50 0 CHAAMN CCc1ccc(CN2CCC[C@H]2c2ccco2)nc1 ZINC000220031541 529640519 /nfs/dbraw/zinc/64/05/19/529640519.db2.gz ZAXIIHBCLKGKJA-HNNXBMFYSA-N 0 1 256.349 3.574 50 0 CHAAMN CC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000097016966 529653092 /nfs/dbraw/zinc/65/30/92/529653092.db2.gz MNIAZBORNDDSKR-ONGXEEELSA-N 0 1 283.828 3.937 50 0 CHAAMN CC(C)(C)SCCN[C@H](c1nccs1)C1CC1 ZINC000252490265 189977444 /nfs/dbraw/zinc/97/74/44/189977444.db2.gz KNJWCLQVXXRIFK-NSHDSACASA-N 0 1 270.467 3.716 50 0 CHAAMN COc1ccccc1CNc1ccc2c(c1)nc(C)n2C ZINC000000084578 169530687 /nfs/dbraw/zinc/53/06/87/169530687.db2.gz UGEBYRUWDRHAAW-UHFFFAOYSA-N 0 1 281.359 3.502 50 0 CHAAMN CCCSc1nc2ccc(Br)cc2[nH]1 ZINC000005728031 170134208 /nfs/dbraw/zinc/13/42/08/170134208.db2.gz FWRLXSPFSAUANL-UHFFFAOYSA-N 0 1 271.183 3.828 50 0 CHAAMN Cc1ccc2nc(SCC(=O)C(C)(C)C)[nH]c2c1 ZINC000006017014 170168575 /nfs/dbraw/zinc/16/85/75/170168575.db2.gz KJSJKKFLKMPUGP-UHFFFAOYSA-N 0 1 262.378 3.579 50 0 CHAAMN Clc1ccc(CSC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000006584828 170216436 /nfs/dbraw/zinc/21/64/36/170216436.db2.gz XIOLXLZPIDJCEY-CHWSQXEVSA-N 0 1 280.824 3.844 50 0 CHAAMN CN(C)Cc1ccc(F)cc1Sc1cccc(O)c1 ZINC000006637795 170220973 /nfs/dbraw/zinc/22/09/73/170220973.db2.gz RHRXXZQYCHIAGM-UHFFFAOYSA-N 0 1 277.364 3.744 50 0 CHAAMN COc1ccc(Cl)cc1CNCc1ccccc1 ZINC000006697599 170226769 /nfs/dbraw/zinc/22/67/69/170226769.db2.gz SMPMZTOIUDXSPD-UHFFFAOYSA-N 0 1 261.752 3.638 50 0 CHAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC(C)CC1 ZINC000007446717 170285550 /nfs/dbraw/zinc/28/55/50/170285550.db2.gz CZTIWPIDOUMGCS-CQSZACIVSA-N 0 1 284.403 3.779 50 0 CHAAMN C[C@@H]1CCC[C@H](C)N1Cc1cn2ccc(Cl)cc2n1 ZINC000009086852 170363015 /nfs/dbraw/zinc/36/30/15/170363015.db2.gz RVOOYRHXMVJKKP-TXEJJXNPSA-N 0 1 277.799 3.751 50 0 CHAAMN CCCCN1C(=O)C2=C(CCCC2)[C@H]1NCc1ccccc1 ZINC000020123872 171005713 /nfs/dbraw/zinc/00/57/13/171005713.db2.gz AZMSSTLCDUXVEG-SFHVURJKSA-N 0 1 298.430 3.615 50 0 CHAAMN CCc1ccc(OCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000021658825 171318734 /nfs/dbraw/zinc/31/87/34/171318734.db2.gz ZARCTLLDCFVVSX-UHFFFAOYSA-N 0 1 270.307 3.843 50 0 CHAAMN Brc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000022002144 171348051 /nfs/dbraw/zinc/34/80/51/171348051.db2.gz GVFCYTFUNNARML-UHFFFAOYSA-N 0 1 273.133 3.992 50 0 CHAAMN C[C@@H](c1nnc(-c2cccs2)o1)N1C[C@H](C)C[C@@H](C)C1 ZINC000040463461 174272643 /nfs/dbraw/zinc/27/26/43/174272643.db2.gz CTFVTRWWEXZJPZ-UTUOFQBUSA-N 0 1 291.420 3.837 50 0 CHAAMN COc1cccc(Nc2nc(-c3ccccc3F)no2)c1 ZINC000071928068 176302002 /nfs/dbraw/zinc/30/20/02/176302002.db2.gz SPTVOPJJWGGONK-UHFFFAOYSA-N 0 1 285.278 3.628 50 0 CHAAMN CC(=O)C1(c2ccccc2)CCN(Cc2ccsc2)CC1 ZINC000072120775 176319422 /nfs/dbraw/zinc/31/94/22/176319422.db2.gz INFHLRQPZMJRHX-UHFFFAOYSA-N 0 1 299.439 3.871 50 0 CHAAMN 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O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc2occc2c1 ZINC000263524413 330058828 /nfs/dbraw/zinc/05/88/28/330058828.db2.gz SOZUGJGOAJTHAP-BMFZPTHFSA-N 0 1 299.370 3.651 50 0 CHAAMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc2occc2c1 ZINC000263524414 330058971 /nfs/dbraw/zinc/05/89/71/330058971.db2.gz SOZUGJGOAJTHAP-BPUTZDHNSA-N 0 1 299.370 3.651 50 0 CHAAMN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 ZINC000097016969 529200321 /nfs/dbraw/zinc/20/03/21/529200321.db2.gz MNIAZBORNDDSKR-GXSJLCMTSA-N 0 1 283.828 3.937 50 0 CHAAMN Cc1noc(C)c1CN[C@H]1CCSc2ccccc21 ZINC000034996584 566842651 /nfs/dbraw/zinc/84/26/51/566842651.db2.gz XPZQVTMIUFGYRE-AWEZNQCLSA-N 0 1 274.389 3.618 50 0 CHAAMN C[C@@H]1CN(CCCSc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000013153574 566895390 /nfs/dbraw/zinc/89/53/90/566895390.db2.gz DFVNXPWWTNMKPT-BETUJISGSA-N 0 1 299.867 3.931 50 0 CHAAMN CC(C)[C@H]1CCC(CN(C)C)=C(Br)C1 ZINC000043199216 566917724 /nfs/dbraw/zinc/91/77/24/566917724.db2.gz PPCIXCMMVWOYEH-JTQLQIEISA-N 0 1 260.219 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/nfs/dbraw/zinc/85/91/39/566859139.db2.gz ARQAZVWWUKKXLE-UHFFFAOYSA-N 0 1 262.378 3.779 50 0 CHAAMN Cc1cccc(C(C)C)c1NC(=O)CN(C(C)C)C1CC1 ZINC000026940434 566976294 /nfs/dbraw/zinc/97/62/94/566976294.db2.gz TYQGYRHBGASCJS-UHFFFAOYSA-N 0 1 288.435 3.930 50 0 CHAAMN Cc1cccc2c(-c3nnc(C(C)(C)C)[nH]3)c[nH]c21 ZINC000426580955 566987764 /nfs/dbraw/zinc/98/77/64/566987764.db2.gz KHUUSBMJHZTIIE-UHFFFAOYSA-N 0 1 254.337 3.559 50 0 CHAAMN CCCn1cc(CN(CC)Cc2ccc3[nH]ccc3c2)cn1 ZINC000252482816 567058863 /nfs/dbraw/zinc/05/88/63/567058863.db2.gz DOJNXMIPLOYNIM-UHFFFAOYSA-N 0 1 296.418 3.797 50 0 CHAAMN CC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000010495481 567112586 /nfs/dbraw/zinc/11/25/86/567112586.db2.gz NGJYGCPOKZUZMU-UHFFFAOYSA-N 0 1 268.198 3.681 50 0 CHAAMN CC[C@@H](C)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000095410276 567129297 /nfs/dbraw/zinc/12/92/97/567129297.db2.gz GLHQIDXAPOBWJJ-SECBINFHSA-N 0 1 265.357 3.749 50 0 CHAAMN Cc1ncsc1CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000095421959 567131534 /nfs/dbraw/zinc/13/15/34/567131534.db2.gz ZVVWNFRQAHBENY-SNVBAGLBSA-N 0 1 293.411 3.507 50 0 CHAAMN C[C@@H]1CN(C)CC2=C1Oc1ccc3ccccc3c1C2 ZINC000096028019 567138687 /nfs/dbraw/zinc/13/86/87/567138687.db2.gz YMGGONRCAIZPMW-GFCCVEGCSA-N 0 1 265.356 3.610 50 0 CHAAMN CC(C)[C@H](C)N(Cc1ccco1)Cc1ccccn1 ZINC000055403627 567146386 /nfs/dbraw/zinc/14/63/86/567146386.db2.gz PIJRMEXPMFSILN-AWEZNQCLSA-N 0 1 258.365 3.721 50 0 CHAAMN CCN(CC)c1ccc(NCc2ccc3c(c2)OCO3)cc1 ZINC000002503599 567146409 /nfs/dbraw/zinc/14/64/09/567146409.db2.gz BWHCBDIURDOPLF-UHFFFAOYSA-N 0 1 298.386 3.874 50 0 CHAAMN C[C@H](NCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000057370893 567155625 /nfs/dbraw/zinc/15/56/25/567155625.db2.gz WQHNVCSQYFWFJH-LBPRGKRZSA-N 0 1 288.778 3.629 50 0 CHAAMN Cc1ccccc1[C@@H](C)NCc1nc2ccccc2n1C ZINC000066969961 567194400 /nfs/dbraw/zinc/19/44/00/567194400.db2.gz LVDMCGZZABSJOS-CQSZACIVSA-N 0 1 279.387 3.733 50 0 CHAAMN COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1)N(C)CC2 ZINC000000197220 567821958 /nfs/dbraw/zinc/82/19/58/567821958.db2.gz BGLDTMLFNFLJDH-LJQANCHMSA-N 0 1 297.398 3.590 50 0 CHAAMN Cc1cccc(N2CCN(Cc3ccsc3)CC2)c1C ZINC000000292218 567824305 /nfs/dbraw/zinc/82/43/05/567824305.db2.gz YZYIMYPWZPLPPY-UHFFFAOYSA-N 0 1 286.444 3.687 50 0 CHAAMN S=c1[nH]nc(Cc2cccs2)n1-c1ccccc1 ZINC000000807950 567835011 /nfs/dbraw/zinc/83/50/11/567835011.db2.gz SKHIDXWELBGNBE-UHFFFAOYSA-N 0 1 273.386 3.582 50 0 CHAAMN C[N@@H+]1CCc2cc(Cl)c([O-])cc2[C@@H](c2ccccc2)C1 ZINC000002017838 567843932 /nfs/dbraw/zinc/84/39/32/567843932.db2.gz GOTMKOSCLKVOGG-OAHLLOKOSA-N 0 1 287.790 3.665 50 0 investigational CHAAMN C[N@H+]1CCc2cc(Cl)c([O-])cc2[C@@H](c2ccccc2)C1 ZINC000002017838 567843934 /nfs/dbraw/zinc/84/39/34/567843934.db2.gz GOTMKOSCLKVOGG-OAHLLOKOSA-N 0 1 287.790 3.665 50 0 investigational CHAAMN C[N@@H+]1CCc2cc(Cl)c([O-])cc2[C@H](c2ccccc2)C1 ZINC000002017840 567844068 /nfs/dbraw/zinc/84/40/68/567844068.db2.gz GOTMKOSCLKVOGG-HNNXBMFYSA-N 0 1 287.790 3.665 50 0 in-vivo CHAAMN C[N@H+]1CCc2cc(Cl)c([O-])cc2[C@H](c2ccccc2)C1 ZINC000002017840 567844069 /nfs/dbraw/zinc/84/40/69/567844069.db2.gz GOTMKOSCLKVOGG-HNNXBMFYSA-N 0 1 287.790 3.665 50 0 in-vivo CHAAMN O=C(c1ccc(Cl)cc1)c1ccc(CN2CC=CC2)cc1 ZINC000002514896 567846440 /nfs/dbraw/zinc/84/64/40/567846440.db2.gz DQRJXPQNVVNJHP-UHFFFAOYSA-N 0 1 297.785 3.943 50 0 CHAAMN CCOc1ccc2ccccc2c1CNCc1cccnc1 ZINC000004413466 567857220 /nfs/dbraw/zinc/85/72/20/567857220.db2.gz VTAJDVZPSLDTAP-UHFFFAOYSA-N 0 1 292.382 3.923 50 0 CHAAMN COc1ccc2ccccc2c1CNCc1ccncc1 ZINC000004413608 567857351 /nfs/dbraw/zinc/85/73/51/567857351.db2.gz JAILOLJVXPMFSB-UHFFFAOYSA-N 0 1 278.355 3.533 50 0 CHAAMN COc1ccc2ccccc2c1CNCc1cccnc1 ZINC000004413465 567857549 /nfs/dbraw/zinc/85/75/49/567857549.db2.gz GMPOLDRUKADDKO-UHFFFAOYSA-N 0 1 278.355 3.533 50 0 CHAAMN Nc1nc2ccccc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000004632431 567858629 /nfs/dbraw/zinc/85/86/29/567858629.db2.gz PADBIPPTRVDGRZ-UHFFFAOYSA-N 0 1 291.276 3.686 50 0 CHAAMN CN(C)Cc1ccc(-c2cc(F)cc(Cl)c2)nc1 ZINC000097744902 567861514 /nfs/dbraw/zinc/86/15/14/567861514.db2.gz BWNNVXPJWZBZDS-UHFFFAOYSA-N 0 1 264.731 3.603 50 0 CHAAMN Fc1ccccc1-c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000012415131 567863003 /nfs/dbraw/zinc/86/30/03/567863003.db2.gz MEPSLKKTFTWLTH-UHFFFAOYSA-N 0 1 296.261 3.526 50 0 CHAAMN Cc1cc(-c2ccccc2)c2c(n1)sc1c2[nH]cnc1=O ZINC000012415036 567863089 /nfs/dbraw/zinc/86/30/89/567863089.db2.gz YZJZGPVDJNPLOM-UHFFFAOYSA-N 0 1 293.351 3.508 50 0 CHAAMN C(=C/c1ccccc1)\CN1CCN(Cc2cccs2)CC1 ZINC000019537400 567878044 /nfs/dbraw/zinc/87/80/44/567878044.db2.gz UWVCLNKRZJMHLH-XBXARRHUSA-N 0 1 298.455 3.579 50 0 CHAAMN Fc1ccc(Br)cc1CNCc1ccccc1 ZINC000019885998 567879857 /nfs/dbraw/zinc/87/98/57/567879857.db2.gz NDINODOEORPMRD-UHFFFAOYSA-N 0 1 294.167 3.878 50 0 CHAAMN Cc1ccccc1[C@H](NCc1ccc(CO)o1)C(C)(C)C ZINC000080347552 567883099 /nfs/dbraw/zinc/88/30/99/567883099.db2.gz AZAFEYQOGYSXFA-KRWDZBQOSA-N 0 1 287.403 3.957 50 0 CHAAMN COC(=O)[C@@H](c1ccccc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000072287553 567884358 /nfs/dbraw/zinc/88/43/58/567884358.db2.gz BKAATQKPXWVGSZ-MJGOQNOKSA-N 0 1 299.414 3.723 50 0 CHAAMN CCCCN(C)Cc1ccccc1Br ZINC000032917443 567886423 /nfs/dbraw/zinc/88/64/23/567886423.db2.gz LUADAWIDBOWUIC-UHFFFAOYSA-N 0 1 256.187 3.681 50 0 CHAAMN CC(C)[C@H]1CC[C@@H](C)C(=C(O)c2ccccc2)C1=O ZINC000037866686 567890161 /nfs/dbraw/zinc/89/01/61/567890161.db2.gz VPTKSNILIUZETI-BPLDGKMQSA-N 0 1 258.361 3.757 50 0 CHAAMN Cc1cc(C)cc(OCc2nc3ccc(F)cc3[nH]2)c1 ZINC000041146128 567891016 /nfs/dbraw/zinc/89/10/16/567891016.db2.gz NRFARPBAWVFEHE-UHFFFAOYSA-N 0 1 270.307 3.898 50 0 CHAAMN CCOc1ccc(OCc2nc3ccc(OC)cc3[nH]2)cc1 ZINC000033004141 567891367 /nfs/dbraw/zinc/89/13/67/567891367.db2.gz SWBDERHUOKZUMA-UHFFFAOYSA-N 0 1 298.342 3.549 50 0 CHAAMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000095408714 567893664 /nfs/dbraw/zinc/89/36/64/567893664.db2.gz ZAXBPNLIYFJJBU-LBPRGKRZSA-N 0 1 260.768 3.928 50 0 CHAAMN C[C@@H](c1ccccn1)N(C)Cc1ccc(Cl)cc1 ZINC000095408714 567893665 /nfs/dbraw/zinc/89/36/65/567893665.db2.gz ZAXBPNLIYFJJBU-LBPRGKRZSA-N 0 1 260.768 3.928 50 0 CHAAMN CCc1cc(CN(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)on1 ZINC000065399320 567898912 /nfs/dbraw/zinc/89/89/12/567898912.db2.gz DKNVMHUDRYWQSQ-BBRMVZONSA-N 0 1 274.408 3.661 50 0 CHAAMN CC(C)Oc1cccc(-c2ccc3nc(CO)[nH]c3c2)c1 ZINC000067691225 567900050 /nfs/dbraw/zinc/90/00/50/567900050.db2.gz PDDZLSVDXJAWER-UHFFFAOYSA-N 0 1 282.343 3.509 50 0 CHAAMN C[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(C2CC2)n1C1CC1 ZINC000097103350 567904177 /nfs/dbraw/zinc/90/41/77/567904177.db2.gz ONURQICLVRDFQL-DOMZBBRYSA-N 0 1 288.439 3.501 50 0 CHAAMN Cc1cccc(CN(Cc2cccc(C)n2)C[C@H]2C[C@@H]2C)n1 ZINC000097105620 567904335 /nfs/dbraw/zinc/90/43/35/567904335.db2.gz GKWHMOGCBNAMHQ-WMLDXEAASA-N 0 1 295.430 3.752 50 0 CHAAMN CCCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000098069141 567907493 /nfs/dbraw/zinc/90/74/93/567907493.db2.gz GVTVAVKIOQWHEV-MRXNPFEDSA-N 0 1 296.414 3.926 50 0 CHAAMN Cc1ccc(OCCCN2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000016247717 567908559 /nfs/dbraw/zinc/90/85/59/567908559.db2.gz MBDOBPOTRVDBQP-OKILXGFUSA-N 0 1 297.826 3.527 50 0 CHAAMN Cc1ccc2ncc(-c3ccc(CN(C)C)cn3)cc2c1 ZINC000097572339 567910861 /nfs/dbraw/zinc/91/08/61/567910861.db2.gz KIPGHOOEBKFNBV-UHFFFAOYSA-N 0 1 277.371 3.667 50 0 CHAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(C)C ZINC000100072235 567911439 /nfs/dbraw/zinc/91/14/39/567911439.db2.gz PHZOQVKWLOTXTG-UHFFFAOYSA-N 0 1 262.328 3.614 50 0 CHAAMN Cn1c(=O)c(-c2ccc(Cl)cc2)c(O)c2ccccc21 ZINC000101085607 567914617 /nfs/dbraw/zinc/91/46/17/567914617.db2.gz XGRDYBRIIFXXBB-UHFFFAOYSA-N 0 1 285.730 3.565 50 0 CHAAMN Cn1c2ccccc2c(O)c(SC2CCCCC2)c1=O ZINC000101085614 567914701 /nfs/dbraw/zinc/91/47/01/567914701.db2.gz TZUAGWWYIXTFND-UHFFFAOYSA-N 0 1 289.400 3.669 50 0 CHAAMN CCOP(=O)(OCC)[C@@H](N)c1ccc(Cl)cc1 ZINC000025501048 567939696 /nfs/dbraw/zinc/93/96/96/567939696.db2.gz CLTNPSYRMWSMNP-LLVKDONJSA-N 0 1 277.688 3.563 50 0 CHAAMN CC[C@@H](C)N(Cc1ccsc1)Cc1[nH]cnc1C ZINC000055359410 570242863 /nfs/dbraw/zinc/24/28/63/570242863.db2.gz ITUVYRWOBVVCGP-LLVKDONJSA-N 0 1 263.410 3.580 50 0 CHAAMN Cc1cc(C)n(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)n1 ZINC000055252335 570241954 /nfs/dbraw/zinc/24/19/54/570241954.db2.gz QFVCFPZWXDWWHN-UHFFFAOYSA-N 0 1 296.418 3.916 50 0 CHAAMN CSc1ccc(CN(Cc2cc(C)[nH]n2)C2CC2)cc1 ZINC000055414629 570243284 /nfs/dbraw/zinc/24/32/84/570243284.db2.gz DFVZTZDBSRHKTL-UHFFFAOYSA-N 0 1 287.432 3.605 50 0 CHAAMN CCc1ccc(CN2CCC[C@H]2c2c(C)noc2C)o1 ZINC000065531460 570244671 /nfs/dbraw/zinc/24/46/71/570244671.db2.gz XJIDCIHUKYPMFV-HNNXBMFYSA-N 0 1 274.364 3.784 50 0 CHAAMN COc1ccc2ccccc2c1CNCc1ccc(C)nc1 ZINC000047826033 570295867 /nfs/dbraw/zinc/29/58/67/570295867.db2.gz MSXBWFRUQHYNPR-UHFFFAOYSA-N 0 1 292.382 3.842 50 0 CHAAMN Nc1ncccc1C[N@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000215128655 570302452 /nfs/dbraw/zinc/30/24/52/570302452.db2.gz AWNUNOMNQZSAMF-KRWDZBQOSA-N 0 1 299.393 3.920 50 0 CHAAMN Nc1ncccc1CN1CCCCC[C@H]1c1cccc(F)c1 ZINC000215128655 570302455 /nfs/dbraw/zinc/30/24/55/570302455.db2.gz AWNUNOMNQZSAMF-KRWDZBQOSA-N 0 1 299.393 3.920 50 0 CHAAMN C[NH+](C)Cc1csc(CN2CC[C@H]2c2ccccc2)c1 ZINC000215829330 570304189 /nfs/dbraw/zinc/30/41/89/570304189.db2.gz WJAKBOWUTYVKIC-KRWDZBQOSA-N 0 1 286.444 3.757 50 0 CHAAMN COc1ccc2nc(COc3cc(C)cc(C)c3)[nH]c2c1 ZINC000041146195 570316402 /nfs/dbraw/zinc/31/64/02/570316402.db2.gz QDZPOSLDTPWWAB-UHFFFAOYSA-N 0 1 282.343 3.767 50 0 CHAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000229704404 570316608 /nfs/dbraw/zinc/31/66/08/570316608.db2.gz PREZGGBBSHVXGJ-TZMCWYRMSA-N 0 1 284.403 3.779 50 0 CHAAMN Cc1nc[nH]c1C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC000012445317 570319206 /nfs/dbraw/zinc/31/92/06/570319206.db2.gz DKMSTILZLFPFPQ-KRWDZBQOSA-N 0 1 283.419 3.563 50 0 CHAAMN Cc1ccc2nc([C@@H](C)NC(=O)c3ccccc3F)[nH]c2c1 ZINC000001385894 570333016 /nfs/dbraw/zinc/33/30/16/570333016.db2.gz UQVBQPPVDIMUCF-LLVKDONJSA-N 0 1 297.333 3.501 50 0 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/nfs/dbraw/zinc/30/41/18/570304118.db2.gz CTURDIHVNKYQRR-UHFFFAOYSA-N 0 1 270.719 3.898 50 0 CHAAMN CCn1cc(CN2CC[C@H](c3cccc(Cl)c3)C2)cn1 ZINC000216531091 570305562 /nfs/dbraw/zinc/30/55/62/570305562.db2.gz UMWOUEJUOAOCGC-HNNXBMFYSA-N 0 1 289.810 3.546 50 0 CHAAMN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1 ZINC000062999141 570309397 /nfs/dbraw/zinc/30/93/97/570309397.db2.gz FOPWRQRGJLMNGK-MLGOLLRUSA-N 0 1 275.779 3.724 50 0 CHAAMN CC(C)Cn1cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)cn1 ZINC000190961840 570352493 /nfs/dbraw/zinc/35/24/93/570352493.db2.gz ISQFHBMCRJDFAO-CRAIPNDOSA-N 0 1 298.434 3.517 50 0 CHAAMN c1ccc([C@@H]2CCC[C@H]2NCc2nnc(C3CCC3)o2)cc1 ZINC000133552679 570400215 /nfs/dbraw/zinc/40/02/15/570400215.db2.gz WKFWNBHSASJUJF-JKSUJKDBSA-N 0 1 297.402 3.763 50 0 CHAAMN COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000000279336 1128088205 /nfs/dbraw/zinc/08/82/05/1128088205.db2.gz CSEIZIUAIKPHGU-LLVKDONJSA-N 0 1 298.224 3.690 50 0 CHAAMN COc1ccc(Br)cc1CN1CCC[C@@H](C)C1 ZINC000000279336 1128088209 /nfs/dbraw/zinc/08/82/09/1128088209.db2.gz CSEIZIUAIKPHGU-LLVKDONJSA-N 0 1 298.224 3.690 50 0 CHAAMN Cc1c(Cl)cccc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000007811363 1128727123 /nfs/dbraw/zinc/72/71/23/1128727123.db2.gz QMMOLIBYCUKGHP-VXGBXAGGSA-N 0 1 294.826 3.565 50 0 CHAAMN CCOc1ccc2nc(COc3ccccc3OC)[nH]c2c1 ZINC000033327173 1118753707 /nfs/dbraw/zinc/75/37/07/1118753707.db2.gz ZAHTYJDSZBEOCP-UHFFFAOYSA-N 0 1 298.342 3.549 50 0 CHAAMN CC[C@H]1CN(CC2CC2)Cc2ccc(Cl)cc2O1 ZINC000014951664 1120545188 /nfs/dbraw/zinc/54/51/88/1120545188.db2.gz IRDVYOYIAZMYNK-AWEZNQCLSA-N 0 1 265.784 3.723 50 0 CHAAMN C[C@H](N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1 ZINC000062999140 1120992479 /nfs/dbraw/zinc/99/24/79/1120992479.db2.gz FOPWRQRGJLMNGK-BLLLJJGKSA-N 0 1 275.779 3.724 50 0 CHAAMN Cc1cc(=O)n(-c2nc(-c3cccc(Cl)c3)cs2)[nH]1 ZINC000000274925 1129741208 /nfs/dbraw/zinc/74/12/08/1129741208.db2.gz DPUGGLURFFCONT-UHFFFAOYSA-N 0 1 291.763 3.576 50 0 CHAAMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccco1 ZINC000001278950 169693881 /nfs/dbraw/zinc/69/38/81/169693881.db2.gz VFRGLKOREIOWJZ-UHFFFAOYSA-N 0 1 293.282 3.668 50 0 CHAAMN Cc1sc2[nH]c(=S)[nH]c(=O)c2c1-c1ccccc1 ZINC000004801765 170019238 /nfs/dbraw/zinc/01/92/38/170019238.db2.gz GQCOGOVWFAPENF-UHFFFAOYSA-N 0 1 274.370 3.623 50 0 CHAAMN Cc1c(C(=O)C[N@@H+]2CCCC[C@@H]2C)c2ccccc2n1C ZINC000004806887 170020136 /nfs/dbraw/zinc/02/01/36/170020136.db2.gz HLLZBTVILLVLKH-ZDUSSCGKSA-N 0 1 284.403 3.544 50 0 CHAAMN Cc1c(C(=O)CN2CCCC[C@@H]2C)c2ccccc2n1C ZINC000004806887 170020137 /nfs/dbraw/zinc/02/01/37/170020137.db2.gz HLLZBTVILLVLKH-ZDUSSCGKSA-N 0 1 284.403 3.544 50 0 CHAAMN O=c1c2ccccc2[nH]c(=S)n1CC1CCCCC1 ZINC000006494044 170206576 /nfs/dbraw/zinc/20/65/76/170206576.db2.gz HRAILZZHHQBJAB-UHFFFAOYSA-N 0 1 274.389 3.639 50 0 CHAAMN CCc1cccc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000007057496 170265020 /nfs/dbraw/zinc/26/50/20/170265020.db2.gz CEGLVZDPMGPFFK-UHFFFAOYSA-N 0 1 295.791 3.703 50 0 CHAAMN COc1ccc(C=Cc2cc(C(F)(F)F)[nH]n2)cc1 ZINC000008973302 170359950 /nfs/dbraw/zinc/35/99/50/170359950.db2.gz IPFOYDDPKQTVGN-GORDUTHDSA-N 0 1 268.238 3.608 50 0 CHAAMN Fc1ccc(-c2cc(C(F)(F)C(F)F)n[nH]2)cc1 ZINC000008973571 170360058 /nfs/dbraw/zinc/36/00/58/170360058.db2.gz JZYVLTMFWUXSIH-UHFFFAOYSA-N 0 1 262.181 3.573 50 0 CHAAMN Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000009997169 170393494 /nfs/dbraw/zinc/39/34/94/170393494.db2.gz ZWQGFTLKHGUTAB-VXGBXAGGSA-N 0 1 294.826 3.565 50 0 CHAAMN CCCCN1C(=O)C2=C(CCCC2)[C@@H]1NCc1ccccc1 ZINC000020123870 171005546 /nfs/dbraw/zinc/00/55/46/171005546.db2.gz AZMSSTLCDUXVEG-GOSISDBHSA-N 0 1 298.430 3.615 50 0 CHAAMN FC(F)Oc1ccccc1CNCc1ccsc1 ZINC000020131594 171020056 /nfs/dbraw/zinc/02/00/56/171020056.db2.gz DCCHVCCUYWYVLB-UHFFFAOYSA-N 0 1 269.316 3.639 50 0 CHAAMN COc1ccccc1CN1CCC[C@H]1c1c(C)noc1C ZINC000021720582 171320390 /nfs/dbraw/zinc/32/03/90/171320390.db2.gz QPZBAWMCUKSGQV-HNNXBMFYSA-N 0 1 286.375 3.637 50 0 CHAAMN CC(C)c1cc([C@H]2CCCN2Cc2ccc(O)cc2)on1 ZINC000035511310 172242517 /nfs/dbraw/zinc/24/25/17/172242517.db2.gz GVRWNIMGSPECLJ-MRXNPFEDSA-N 0 1 286.375 3.841 50 0 CHAAMN Fc1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000040161836 174196115 /nfs/dbraw/zinc/19/61/15/174196115.db2.gz XAXDMNDPZRTETQ-NSHDSACASA-N 0 1 261.262 3.600 50 0 CHAAMN COCCC[C@@H]1CCC[N@H+](Cc2ccc([O-])c(Cl)c2)C1 ZINC000077387960 177262028 /nfs/dbraw/zinc/26/20/28/177262028.db2.gz CEIZERSEZVEWEG-ZDUSSCGKSA-N 0 1 297.826 3.684 50 0 CHAAMN COCCC[C@@H]1CCC[N@@H+](Cc2ccc([O-])c(Cl)c2)C1 ZINC000077387960 177262030 /nfs/dbraw/zinc/26/20/30/177262030.db2.gz CEIZERSEZVEWEG-ZDUSSCGKSA-N 0 1 297.826 3.684 50 0 CHAAMN COCCC[C@H]1CCC[N@H+](Cc2ccc([O-])c(Cl)c2)C1 ZINC000077387966 177262407 /nfs/dbraw/zinc/26/24/07/177262407.db2.gz CEIZERSEZVEWEG-CYBMUJFWSA-N 0 1 297.826 3.684 50 0 CHAAMN COCCC[C@H]1CCC[N@@H+](Cc2ccc([O-])c(Cl)c2)C1 ZINC000077387966 177262409 /nfs/dbraw/zinc/26/24/09/177262409.db2.gz CEIZERSEZVEWEG-CYBMUJFWSA-N 0 1 297.826 3.684 50 0 CHAAMN CCCc1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000100631074 528562284 /nfs/dbraw/zinc/56/22/84/528562284.db2.gz MNICAKKRMSFVFM-UHFFFAOYSA-N 0 1 279.339 3.649 50 0 CHAAMN Cc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)cc2)o1 ZINC000034993692 566842032 /nfs/dbraw/zinc/84/20/32/566842032.db2.gz WQMBISOSEBWQNM-CQSZACIVSA-N 0 1 281.359 3.625 50 0 CHAAMN COc1ccc(-c2n[nH]c(S[C@@H]3C=CCCC3)n2)cc1 ZINC000083950112 566872763 /nfs/dbraw/zinc/87/27/63/566872763.db2.gz XQRDDTPZVCWRPH-CYBMUJFWSA-N 0 1 287.388 3.681 50 0 CHAAMN CC(C)[C@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1 ZINC000084456358 566883125 /nfs/dbraw/zinc/88/31/25/566883125.db2.gz FONDVRJQMGTMBO-LJQANCHMSA-N 0 1 296.414 3.954 50 0 CHAAMN Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CCCC(=O)[O-])cc1 ZINC000151157552 566960537 /nfs/dbraw/zinc/96/05/37/566960537.db2.gz FGGNKJCLSLMTSC-RHSMWYFYSA-N 0 1 275.392 3.633 50 0 CHAAMN c1ccc(CSc2n[nH]c(CCC3CCCC3)n2)nc1 ZINC000031203151 566982326 /nfs/dbraw/zinc/98/23/26/566982326.db2.gz OZVYCKNGAUUEKB-UHFFFAOYSA-N 0 1 288.420 3.615 50 0 CHAAMN c1ccc(CSc2nc(CCC3CCCC3)n[nH]2)nc1 ZINC000031203151 566982327 /nfs/dbraw/zinc/98/23/27/566982327.db2.gz OZVYCKNGAUUEKB-UHFFFAOYSA-N 0 1 288.420 3.615 50 0 CHAAMN Cc1cc2c(c(C)n1)C[C@@H](c1nc3ccccc3[nH]1)CC2 ZINC000036367426 566998364 /nfs/dbraw/zinc/99/83/64/566998364.db2.gz CYQXRLAIKLSDGR-AWEZNQCLSA-N 0 1 277.371 3.847 50 0 biogenic CHAAMN CCc1nnc(CN2CCCC3(C2)CCCCCC3)o1 ZINC000075968335 567028602 /nfs/dbraw/zinc/02/86/02/567028602.db2.gz FVHBTPVHJUOOOQ-UHFFFAOYSA-N 0 1 277.412 3.568 50 0 CHAAMN C[C@@H](NCc1ccco1)c1cc(Br)cs1 ZINC000193940512 567062243 /nfs/dbraw/zinc/06/22/43/567062243.db2.gz MURWITCJFUBMHB-MRVPVSSYSA-N 0 1 286.194 3.954 50 0 CHAAMN Fc1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 ZINC000055211069 567112912 /nfs/dbraw/zinc/11/29/12/567112912.db2.gz KBRDRDNCEKUANR-SFHVURJKSA-N 0 1 278.330 3.809 50 0 CHAAMN O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1cccs1 ZINC000079501169 567123540 /nfs/dbraw/zinc/12/35/40/567123540.db2.gz DMJOJLRBUJWFCE-UHFFFAOYSA-N 0 1 283.356 3.754 50 0 CHAAMN Cc1ccccc1[C@H](NCc1cc[nH]n1)C(C)(C)C ZINC000080347465 567127654 /nfs/dbraw/zinc/12/76/54/567127654.db2.gz QVVVNLNQWQYDPG-HNNXBMFYSA-N 0 1 257.381 3.595 50 0 CHAAMN Cc1ccccc1[C@@H](NCc1cc[nH]n1)C(C)(C)C ZINC000080347472 567127897 /nfs/dbraw/zinc/12/78/97/567127897.db2.gz QVVVNLNQWQYDPG-OAHLLOKOSA-N 0 1 257.381 3.595 50 0 CHAAMN COc1ccc(Cl)cc1[C@H](C)NCc1scnc1C ZINC000095421964 567131285 /nfs/dbraw/zinc/13/12/85/567131285.db2.gz ADQZJKGMZRPMLN-VIFPVBQESA-N 0 1 296.823 3.964 50 0 CHAAMN CCOc1ncccc1CN[C@@H](C)c1ccc(C)s1 ZINC000095420090 567132252 /nfs/dbraw/zinc/13/22/52/567132252.db2.gz XCKUDSJRQALNRN-LBPRGKRZSA-N 0 1 276.405 3.701 50 0 CHAAMN CCN(CC)CC(=O)n1c2ccccc2c2ccccc21 ZINC000096026545 567139261 /nfs/dbraw/zinc/13/92/61/567139261.db2.gz GGNAPKNZTUFGMV-UHFFFAOYSA-N 0 1 280.371 3.777 50 0 CHAAMN CSc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000055543452 567146931 /nfs/dbraw/zinc/14/69/31/567146931.db2.gz XMMDLLKQHPINHM-UHFFFAOYSA-N 0 1 298.455 3.731 50 0 CHAAMN CCN(C(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000057413143 567155445 /nfs/dbraw/zinc/15/54/45/567155445.db2.gz MAEADROMLXEZKI-UHFFFAOYSA-N 0 1 297.383 3.805 50 0 CHAAMN COC(=O)[C@@H](c1ccccc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000230129629 567158293 /nfs/dbraw/zinc/15/82/93/567158293.db2.gz BKAATQKPXWVGSZ-IEBWSBKVSA-N 0 1 299.414 3.723 50 0 CHAAMN O=C([O-])CC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000172074269 567197317 /nfs/dbraw/zinc/19/73/17/567197317.db2.gz IYRGAFDLTDZJAZ-GFCCVEGCSA-N 0 1 288.174 3.605 50 0 CHAAMN Clc1cccc(-c2nc(-c3ccccc3)n[nH]2)c1 ZINC000000158391 567820744 /nfs/dbraw/zinc/82/07/44/567820744.db2.gz IHRPRJDMHMNMII-UHFFFAOYSA-N 0 1 255.708 3.792 50 0 CHAAMN Clc1cccc(-c2n[nH]c(-c3ccccc3)n2)c1 ZINC000000158391 567820745 /nfs/dbraw/zinc/82/07/45/567820745.db2.gz IHRPRJDMHMNMII-UHFFFAOYSA-N 0 1 255.708 3.792 50 0 CHAAMN Fc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000000219349 567822568 /nfs/dbraw/zinc/82/25/68/567822568.db2.gz UMRQQTNMOHVOBF-QPJJXVBHSA-N 0 1 296.389 3.661 50 0 CHAAMN COc1ccc(O)c(-c2c(C)n[nH]c2-c2ccccc2)c1 ZINC000000280849 567824095 /nfs/dbraw/zinc/82/40/95/567824095.db2.gz ZLNHOMMVMITODB-UHFFFAOYSA-N 0 1 280.327 3.766 50 0 CHAAMN CCCC(=O)N(c1ccccc1)C1=C[C@H]2CC[C@@H](C1)N2C ZINC000000978299 567835421 /nfs/dbraw/zinc/83/54/21/567835421.db2.gz SYSPQRFVFQBMND-CVEARBPZSA-N 0 1 284.403 3.570 50 0 CHAAMN CCN[C@]1(c2ccccc2C(F)(F)F)CCCCC1=O ZINC000096027239 567836307 /nfs/dbraw/zinc/83/63/07/567836307.db2.gz UVJFUTYQZLHMDH-AWEZNQCLSA-N 0 1 285.309 3.653 50 0 CHAAMN Cc1cc(C)c(NC(=O)OC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000004566640 567858029 /nfs/dbraw/zinc/85/80/29/567858029.db2.gz QRGQQZCHPZTODT-OAHLLOKOSA-N 0 1 290.407 3.645 50 0 CHAAMN Cc1[nH]n(-c2cccc(C)c2)c(=O)c1CCc1ccccc1 ZINC000013571543 567866545 /nfs/dbraw/zinc/86/65/45/567866545.db2.gz KQSQGKHENUUABA-UHFFFAOYSA-N 0 1 292.382 3.568 50 0 CHAAMN Cc1ccc(OCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000015833449 567871473 /nfs/dbraw/zinc/87/14/73/567871473.db2.gz CBGSGLNDRUBUGV-UHFFFAOYSA-N 0 1 256.280 3.589 50 0 CHAAMN COc1ccc2nc(COc3c(C)cccc3C)[nH]c2c1 ZINC000016903869 567873609 /nfs/dbraw/zinc/87/36/09/567873609.db2.gz FDNSNHJLRQIING-UHFFFAOYSA-N 0 1 282.343 3.767 50 0 CHAAMN Cc1nnc(SCCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000022988899 567881525 /nfs/dbraw/zinc/88/15/25/567881525.db2.gz JZGKZHJLYKSWLX-UHFFFAOYSA-N 0 1 277.437 3.812 50 0 CHAAMN CC[C@H](C)c1ccc(OCCCCN2CCOCC2)cc1 ZINC000020118066 567887850 /nfs/dbraw/zinc/88/78/50/567887850.db2.gz DPYHNEPEJIWDCT-INIZCTEOSA-N 0 1 291.435 3.691 50 0 CHAAMN CC[C@@H](C)C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000058364991 567896052 /nfs/dbraw/zinc/89/60/52/567896052.db2.gz UGGCNQNTSBWTLE-LLVKDONJSA-N 0 1 286.379 3.580 50 0 CHAAMN OCc1ccccc1-c1cc(C(F)(F)F)cc2nc[nH]c21 ZINC000067713414 567900251 /nfs/dbraw/zinc/90/02/51/567900251.db2.gz RIKCARLNAWFTPM-UHFFFAOYSA-N 0 1 292.260 3.741 50 0 CHAAMN Cc1nc(CN2CCC[C@@H](c3ccccc3C)C2)co1 ZINC000072423900 567902395 /nfs/dbraw/zinc/90/23/95/567902395.db2.gz SJOJXJJOFPTELH-OAHLLOKOSA-N 0 1 270.376 3.671 50 0 CHAAMN CCn1c(=O)c2sc(-c3ccccc3)cc2[nH]c1=S ZINC000015829491 567904058 /nfs/dbraw/zinc/90/40/58/567904058.db2.gz AMEJZTRCZQMRTH-UHFFFAOYSA-N 0 1 288.397 3.807 50 0 CHAAMN COCCC[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000097514381 567910612 /nfs/dbraw/zinc/91/06/12/567910612.db2.gz OQJGDMNSZQTMKV-ZDUSSCGKSA-N 0 1 283.362 3.603 50 0 CHAAMN C[C@@H](c1cccnc1)N(C)Cc1cnc(CC2CCCC2)[nH]1 ZINC000097698795 567910735 /nfs/dbraw/zinc/91/07/35/567910735.db2.gz UTSXKAVWQCPJGG-AWEZNQCLSA-N 0 1 298.434 3.730 50 0 CHAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1CCc1ccccc1 ZINC000100072428 567912089 /nfs/dbraw/zinc/91/20/89/567912089.db2.gz WYUPAUQHSOCOKC-UHFFFAOYSA-N 0 1 278.355 3.672 50 0 CHAAMN CCCCC1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000100068853 567912179 /nfs/dbraw/zinc/91/21/79/567912179.db2.gz LXYOMNFVXNRHBM-UHFFFAOYSA-N 0 1 287.388 3.839 50 0 CHAAMN Cc1cccc([C@H](NCc2ncc[nH]2)C(C)(C)C)c1 ZINC000178614394 567939178 /nfs/dbraw/zinc/93/91/78/567939178.db2.gz IDLKYGRZFJRJHY-HNNXBMFYSA-N 0 1 257.381 3.595 50 0 CHAAMN Fc1ccc(CSC2=N[C@H]3CCCC[C@@H]3N2)c(Cl)c1 ZINC000014196669 567942565 /nfs/dbraw/zinc/94/25/65/567942565.db2.gz MZLCWNMQPLWQFP-STQMWFEESA-N 0 1 298.814 3.983 50 0 CHAAMN CC[C@@H](Nc1ncnc2[nH]cnc21)c1ccc(Cl)cc1 ZINC000051618917 567947473 /nfs/dbraw/zinc/94/74/73/567947473.db2.gz WEQDKSWNQQHQAL-LLVKDONJSA-N 0 1 287.754 3.570 50 0 CHAAMN Cc1nc2c(s1)[C@H](N[C@@H](C)c1cncc(F)c1)CCC2 ZINC000225566322 567953939 /nfs/dbraw/zinc/95/39/39/567953939.db2.gz HOPZOCASTKEOQR-TVQRCGJNSA-N 0 1 291.395 3.714 50 0 CHAAMN Cc1cc([C@H](C)NCc2ccnc(N3CCCC3)c2)oc1C ZINC000225732295 567954750 /nfs/dbraw/zinc/95/47/50/567954750.db2.gz VTOLEMDHVGYKAG-AWEZNQCLSA-N 0 1 299.418 3.742 50 0 CHAAMN CC1(C)Cc2n[nH]c(C=Cc3ccccc3)c2C(=O)C1 ZINC000033929667 570273593 /nfs/dbraw/zinc/27/35/93/570273593.db2.gz XXBZYMRPXWOLAK-HJWRWDBZSA-N 0 1 266.344 3.735 50 0 CHAAMN Cc1ccc2nc([C@H](C)NC(=O)c3ccccc3F)[nH]c2c1 ZINC000001385895 570333020 /nfs/dbraw/zinc/33/30/20/570333020.db2.gz UQVBQPPVDIMUCF-NSHDSACASA-N 0 1 297.333 3.501 50 0 CHAAMN CCCC[C@@H](NCc1ccc(OC)nc1)c1cccnc1 ZINC000952975467 614478666 /nfs/dbraw/zinc/47/86/66/614478666.db2.gz IWUUWBGTTIUKRY-MRXNPFEDSA-N 0 1 285.391 3.506 50 0 CHAAMN CC(C)[C@H]1CCCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000172177097 1127749816 /nfs/dbraw/zinc/74/98/16/1127749816.db2.gz ADHLKQQLSPYJOR-ZDUSSCGKSA-N 0 1 289.379 3.588 50 0 CHAAMN Clc1ccc(CNc2cccc3[nH]ncc32)cc1 ZINC000037783917 1129222727 /nfs/dbraw/zinc/22/27/27/1129222727.db2.gz NKKFXCCLVNYPIH-UHFFFAOYSA-N 0 1 257.724 3.828 50 0 CHAAMN Cc1ccc(C=Cc2n[nH]c(SCC(C)C)n2)o1 ZINC000023223009 1119625127 /nfs/dbraw/zinc/62/51/27/1119625127.db2.gz QOCRUEYIUMZMIS-VOTSOKGWSA-N 0 1 263.366 3.625 50 0 CHAAMN Fc1ccc(Cl)cc1C=NNc1nc2ccccc2[nH]1 ZINC000254815536 1120909515 /nfs/dbraw/zinc/90/95/15/1120909515.db2.gz GIJMPQLMIVNKMV-UHFFFAOYSA-N 0 1 288.713 3.801 50 0 CHAAMN Cc1nc(=O)c2sc3nc(-c4ccccc4)ccc3c2[nH]1 ZINC000033268229 1129283500 /nfs/dbraw/zinc/28/35/00/1129283500.db2.gz PVQKRCSDUPRPLB-UHFFFAOYSA-N 0 1 293.351 3.508 50 0 CHAAMN CC(=O)c1ccc(-c2nc[nH]c2-c2ccccc2)cc1 ZINC000065406632 1129597217 /nfs/dbraw/zinc/59/72/17/1129597217.db2.gz GJXRLBBAICYERW-UHFFFAOYSA-N 0 1 262.312 3.946 50 0 CHAAMN CCOc1ccc(CN=Nc2ccc(F)cc2F)cc1 ZINC000254856207 1129714642 /nfs/dbraw/zinc/71/46/42/1129714642.db2.gz SJRZGDHZRHVBHM-UHFFFAOYSA-N 0 1 276.286 3.810 50 0 CHAAMN c1ccc(-c2noc(CN3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC000012715675 1129831211 /nfs/dbraw/zinc/83/12/11/1129831211.db2.gz RCTRNDUIGGHENO-HOCLYGCPSA-N 0 1 297.402 3.749 50 0 CHAAMN Cc1ccc(CN[C@@H](C)c2ccco2)c(N(C)C)c1 ZINC000095969123 185047500 /nfs/dbraw/zinc/04/75/00/185047500.db2.gz QTJVPUGENJOOOM-ZDUSSCGKSA-N 0 1 258.365 3.505 50 0 CHAAMN CCc1ccc(CN2CCC[C@@H]2c2ccco2)nc1 ZINC000220031466 529640182 /nfs/dbraw/zinc/64/01/82/529640182.db2.gz ZAXIIHBCLKGKJA-OAHLLOKOSA-N 0 1 256.349 3.574 50 0 CHAAMN CC[C@H]1CCCN([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000106624466 186128852 /nfs/dbraw/zinc/12/88/52/186128852.db2.gz NDHSCGIHGZQIJT-NEPJUHHUSA-N 0 1 291.420 3.981 50 0 CHAAMN Cc1nc(-c2ccccc2)sc1CSc1cn[nH]n1 ZINC000156011942 188239000 /nfs/dbraw/zinc/23/90/00/188239000.db2.gz FAZLJZXLKOGAGW-UHFFFAOYSA-N 0 1 288.401 3.529 50 0 CHAAMN Cc1cccc(C2=CCN([C@@H](C)c3cnccn3)CC2)c1 ZINC000184709405 189393122 /nfs/dbraw/zinc/39/31/22/189393122.db2.gz AZBKXHNAYDFBTN-HNNXBMFYSA-N 0 1 279.387 3.635 50 0 CHAAMN CSc1ccc([C@@H](C)NCc2ccco2)cc1F ZINC000097016373 533002166 /nfs/dbraw/zinc/00/21/66/533002166.db2.gz PZQHPNQEXKSLMY-SNVBAGLBSA-N 0 1 265.353 3.991 50 0 CHAAMN c1ccc(CSc2nc(Cc3ccccc3)n[nH]2)cc1 ZINC000005050129 170061185 /nfs/dbraw/zinc/06/11/85/170061185.db2.gz FUQDBRPJJVEGNU-UHFFFAOYSA-N 0 1 281.384 3.688 50 0 CHAAMN CC(C)c1n[nH]c(SCc2ccccc2Cl)n1 ZINC000006782185 170242999 /nfs/dbraw/zinc/24/29/99/170242999.db2.gz LZBDKMFGBLOHPQ-UHFFFAOYSA-N 0 1 267.785 3.874 50 0 CHAAMN CC(C)c1nc(SCc2ccccc2Cl)n[nH]1 ZINC000006782185 170243001 /nfs/dbraw/zinc/24/30/01/170243001.db2.gz LZBDKMFGBLOHPQ-UHFFFAOYSA-N 0 1 267.785 3.874 50 0 CHAAMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000008142705 170321319 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/nfs/dbraw/zinc/86/24/21/567862421.db2.gz XVNXJSXFJJFMEA-UHFFFAOYSA-N 0 1 299.418 3.619 50 0 CHAAMN Cc1nnc(SCc2ccc(Cl)cc2Cl)[nH]1 ZINC000012082521 567862426 /nfs/dbraw/zinc/86/24/26/567862426.db2.gz ZEWRLRMHIURZRD-UHFFFAOYSA-N 0 1 274.176 3.712 50 0 CHAAMN Cc1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000012082521 567862427 /nfs/dbraw/zinc/86/24/27/567862427.db2.gz ZEWRLRMHIURZRD-UHFFFAOYSA-N 0 1 274.176 3.712 50 0 CHAAMN C[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012228605 567862584 /nfs/dbraw/zinc/86/25/84/567862584.db2.gz UIAPUMMNWHJDPP-LLVKDONJSA-N 0 1 291.782 3.622 50 0 CHAAMN Cc1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1 ZINC000010895953 567881851 /nfs/dbraw/zinc/88/18/51/567881851.db2.gz DQZDWMXTXIFGKV-UHFFFAOYSA-N 0 1 285.734 3.777 50 0 CHAAMN C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000095408715 567893633 /nfs/dbraw/zinc/89/36/33/567893633.db2.gz ZAXBPNLIYFJJBU-GFCCVEGCSA-N 0 1 260.768 3.928 50 0 CHAAMN C[C@H](c1ccccn1)N(C)Cc1ccc(Cl)cc1 ZINC000095408715 567893635 /nfs/dbraw/zinc/89/36/35/567893635.db2.gz ZAXBPNLIYFJJBU-GFCCVEGCSA-N 0 1 260.768 3.928 50 0 CHAAMN CN(C)[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 ZINC000058123587 567895472 /nfs/dbraw/zinc/89/54/72/567895472.db2.gz QHZWILTUFPJLSM-SFHVURJKSA-N 0 1 292.382 3.524 50 0 CHAAMN CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000064666883 567897984 /nfs/dbraw/zinc/89/79/84/567897984.db2.gz AMBALUACOSHJJT-OAHLLOKOSA-N 0 1 286.375 3.719 50 0 CHAAMN CCOc1ccccc1CN1CCC[C@@H]1c1cc(C)no1 ZINC000064666883 567897985 /nfs/dbraw/zinc/89/79/85/567897985.db2.gz AMBALUACOSHJJT-OAHLLOKOSA-N 0 1 286.375 3.719 50 0 CHAAMN CC(=O)Nc1ccc(-c2nc[nH]c2-c2ccccc2)cc1 ZINC000065382003 567898611 /nfs/dbraw/zinc/89/86/11/567898611.db2.gz SWQIEQYRCWGFGM-UHFFFAOYSA-N 0 1 277.327 3.702 50 0 CHAAMN Fc1cccc(CCc2n[nH]c(CCc3ccccc3)n2)c1 ZINC000065417825 567898934 /nfs/dbraw/zinc/89/89/34/567898934.db2.gz KJLKEWMCUBZYFF-UHFFFAOYSA-N 0 1 295.361 3.514 50 0 CHAAMN CCOc1ccc(-c2[nH]cnc2-c2ccccc2)cc1CO ZINC000065397702 567898953 /nfs/dbraw/zinc/89/89/53/567898953.db2.gz VYVHPYCAZCBEMJ-UHFFFAOYSA-N 0 1 294.354 3.635 50 0 CHAAMN C[C@@H](c1ccccn1)N(C)Cc1cc2ccccc2n1C ZINC000065436232 567899288 /nfs/dbraw/zinc/89/92/88/567899288.db2.gz YSHXHYIUIYENTR-AWEZNQCLSA-N 0 1 279.387 3.766 50 0 CHAAMN C[C@@H](NC(=O)CN1CCCCC1)c1cccc2ccccc21 ZINC000011231999 567903168 /nfs/dbraw/zinc/90/31/68/567903168.db2.gz CAUVGKLXJDNKAV-OAHLLOKOSA-N 0 1 296.414 3.503 50 0 CHAAMN COC[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000056908404 567905826 /nfs/dbraw/zinc/90/58/26/567905826.db2.gz HAMCBSFEACKSBN-GFCCVEGCSA-N 0 1 288.218 3.852 50 0 CHAAMN O=C(c1ccccc1)[C@@H](c1ccccc1)N1CCCC1 ZINC000055422138 567908876 /nfs/dbraw/zinc/90/88/76/567908876.db2.gz GQCCTZGWWWUYLS-QGZVFWFLSA-N 0 1 265.356 3.706 50 0 CHAAMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1ccccc1 ZINC000096318759 567910138 /nfs/dbraw/zinc/91/01/38/567910138.db2.gz DVFVULWSBWKNRS-HDICACEKSA-N 0 1 294.442 3.781 50 0 CHAAMN Cc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)cc1 ZINC000100070170 567911385 /nfs/dbraw/zinc/91/13/85/567911385.db2.gz CUKIYXBQMKSPDY-UHFFFAOYSA-N 0 1 250.301 3.553 50 0 CHAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCC(C)C)[nH]c2c1 ZINC000061232940 567927826 /nfs/dbraw/zinc/92/78/26/567927826.db2.gz FUIBYDOJPHHXJA-MRXNPFEDSA-N 0 1 299.418 3.971 50 0 CHAAMN C[C@@H]1CCCC[C@@H]1n1c(=O)c2ccccc2[nH]c1=S ZINC000000425227 567930401 /nfs/dbraw/zinc/93/04/01/567930401.db2.gz LWNRFDYFXURUJL-MFKMUULPSA-N 0 1 274.389 3.810 50 0 CHAAMN CCOc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 ZINC000019996637 567945273 /nfs/dbraw/zinc/94/52/73/567945273.db2.gz QEESZQCWJJRHJR-UHFFFAOYSA-N 0 1 291.734 3.697 50 0 CHAAMN C[C@H](c1nnc(-c2cccs2)o1)N1CCCCCC1 ZINC000072710249 570238191 /nfs/dbraw/zinc/23/81/91/570238191.db2.gz IZJPAHOELBMEGD-LLVKDONJSA-N 0 1 277.393 3.735 50 0 CHAAMN CC[C@@H](C)N(Cc1cccnc1)Cc1ccc(Cl)nc1 ZINC000055245049 570241875 /nfs/dbraw/zinc/24/18/75/570241875.db2.gz MUUHWCIPLGKCDS-CYBMUJFWSA-N 0 1 289.810 3.931 50 0 CHAAMN CCc1ccc2[nH]cc(C(=O)c3ccc(C)cc3)c(=O)c2c1 ZINC000067172444 570245920 /nfs/dbraw/zinc/24/59/20/570245920.db2.gz VIGICEGHCHJTGG-UHFFFAOYSA-N 0 1 291.350 3.630 50 0 CHAAMN O=C1CN(c2ccc(F)cc2)N=C1c1ccc(F)cc1 ZINC000215850925 570304038 /nfs/dbraw/zinc/30/40/38/570304038.db2.gz VWCQGEVTPTUSFR-UHFFFAOYSA-N 0 1 272.254 3.523 50 0 CHAAMN CC(C)n1cc(C(=O)c2ccnc(Cl)c2)c2cnccc21 ZINC000223466572 570379728 /nfs/dbraw/zinc/37/97/28/570379728.db2.gz UBZIMRJOEPUAGN-UHFFFAOYSA-N 0 1 299.761 3.897 50 0 CHAAMN Cc1ccc2c(C[N@@H+]3CCCC[C@@H]3C)cc(=O)oc2c1C ZINC000002355063 570390249 /nfs/dbraw/zinc/39/02/49/570390249.db2.gz MEUUBMIEFPFTSQ-ZDUSSCGKSA-N 0 1 285.387 3.784 50 0 CHAAMN CCN(CC)Cc1ccc(Br)cc1Cl ZINC000060876231 570390291 /nfs/dbraw/zinc/39/02/91/570390291.db2.gz USGAUDXKLRQQTO-UHFFFAOYSA-N 0 1 276.605 3.944 50 0 CHAAMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000003749291 570400364 /nfs/dbraw/zinc/40/03/64/570400364.db2.gz YYGKVQTTYRUFEX-GOSISDBHSA-N 0 1 295.382 3.650 50 0 CHAAMN COc1ccc(-c2cnc(CN3CCC[C@@H](C)C3)o2)cc1 ZINC000041362702 570403467 /nfs/dbraw/zinc/40/34/67/570403467.db2.gz IKLSHRACBSYAMG-CYBMUJFWSA-N 0 1 286.375 3.582 50 0 CHAAMN CCCCCSc1nc(-c2cccs2)n[nH]1 ZINC000077896304 570405381 /nfs/dbraw/zinc/40/53/81/570405381.db2.gz NLNUXKFLCRNEAH-UHFFFAOYSA-N 0 1 253.396 3.816 50 0 CHAAMN CN(C)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1 ZINC000006637797 1117849271 /nfs/dbraw/zinc/84/92/71/1117849271.db2.gz FNLBLNIPEHDQMR-UHFFFAOYSA-N 0 1 273.763 3.633 50 0 CHAAMN C[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000023114821 1119260677 /nfs/dbraw/zinc/26/06/77/1119260677.db2.gz ZBUQDYOUDXYFBP-HZPDHXFCSA-N 0 1 281.399 3.963 50 0 CHAAMN CCc1nc(CN2CC[C@H](c3ccccc3)C2)cs1 ZINC000069894801 1121246457 /nfs/dbraw/zinc/24/64/57/1121246457.db2.gz NSUDKSAMLPPYFW-AWEZNQCLSA-N 0 1 272.417 3.695 50 0 CHAAMN Cc1nc[nH]c1CN1CCCCC[C@H]1c1cccc(F)c1 ZINC000252483622 1121652472 /nfs/dbraw/zinc/65/24/72/1121652472.db2.gz FGBRZNVOELCIQZ-KRWDZBQOSA-N 0 1 287.382 3.975 50 0 CHAAMN CC(C)C[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)n1cccc1 ZINC000575444499 1124073865 /nfs/dbraw/zinc/07/38/65/1124073865.db2.gz KZVKXILALQEAHT-INIZCTEOSA-N 0 1 296.374 3.590 50 0 CHAAMN CC(=[NH+][N-]c1ccc(C(F)(F)F)cn1)c1ccc(N)cc1 ZINC000254617662 1129703451 /nfs/dbraw/zinc/70/34/51/1129703451.db2.gz SOZPFYUWKFPQGY-UHFFFAOYSA-N 0 1 294.280 3.519 50 0 CHAAMN Fc1cccc(CN2CCCC[C@@H]2c2cccnc2)c1 ZINC000000183859 1129730891 /nfs/dbraw/zinc/73/08/91/1129730891.db2.gz AHYWCLBRUNGTBG-QGZVFWFLSA-N 0 1 270.351 3.948 50 0 CHAAMN Cc1ccc(CN(CCCO)Cc2ccc(Cl)o2)cc1 ZINC000952989365 1132019076 /nfs/dbraw/zinc/01/90/76/1132019076.db2.gz RJMAYQITDPJONK-UHFFFAOYSA-N 0 1 293.794 3.626 50 0 CHAAMN Cc1ccc(Sc2c(O)c3ccccc3n(C)c2=O)cc1 ZINC000101472531 230392498 /nfs/dbraw/zinc/39/24/98/230392498.db2.gz HGINECSUHNZQGL-UHFFFAOYSA-N 0 1 297.379 3.704 50 0 CHAAMN Cc1ccccc1C=Cc1n[nH]c(SC(C)C)n1 ZINC000096937161 185133221 /nfs/dbraw/zinc/13/32/21/185133221.db2.gz AJNBRFMIZOYTPK-HJWRWDBZSA-N 0 1 259.378 3.784 50 0 CHAAMN CC(C)[C@@H](NCc1cnc[nH]1)c1ccc(Cl)cc1F ZINC000181011121 189286160 /nfs/dbraw/zinc/28/61/60/189286160.db2.gz ZSLLOZNWUFFHRI-CQSZACIVSA-N 0 1 281.762 3.689 50 0 CHAAMN CSc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1F ZINC000097017100 533002017 /nfs/dbraw/zinc/00/20/17/533002017.db2.gz LKPGHFLGVDDJQP-MNOVXSKESA-N 0 1 293.411 3.693 50 0 CHAAMN O=C(c1cccc(CN2CCCC2)c1)c1ccccc1F ZINC000002515076 169798120 /nfs/dbraw/zinc/79/81/20/169798120.db2.gz ICWBFZHQCQGCFU-UHFFFAOYSA-N 0 1 283.346 3.653 50 0 CHAAMN COc1cc2c(cc1OC)CN(Cc1cccc(C)c1)CC2 ZINC000004978337 170048059 /nfs/dbraw/zinc/04/80/59/170048059.db2.gz BDRWQIOLHJMICH-UHFFFAOYSA-N 0 1 297.398 3.571 50 0 CHAAMN COc1ccc(CN2CCC[C@@H](C)C2)cc1Br ZINC000004988922 170050070 /nfs/dbraw/zinc/05/00/70/170050070.db2.gz SOPHUYPTIQHZET-LLVKDONJSA-N 0 1 298.224 3.690 50 0 CHAAMN Clc1ccc(Cl)c(OCCN2CCCCC2)c1 ZINC000005028643 170057820 /nfs/dbraw/zinc/05/78/20/170057820.db2.gz MEQBCCSQJVPJNR-UHFFFAOYSA-N 0 1 274.191 3.858 50 0 CHAAMN Cc1ccc2nc(Cc3ccc4nc(N)sc4c3)[nH]c2c1 ZINC000005446363 170099678 /nfs/dbraw/zinc/09/96/78/170099678.db2.gz BYYFQKHBZZUPOM-UHFFFAOYSA-N 0 1 294.383 3.654 50 0 CHAAMN CCCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000006481893 170204987 /nfs/dbraw/zinc/20/49/87/170204987.db2.gz COUUZKIRFCFZMN-UHFFFAOYSA-N 0 1 298.209 3.736 50 0 CHAAMN Cc1ccc2nc(SC[C@@H]3CCCCO3)[nH]c2c1 ZINC000006506639 170207979 /nfs/dbraw/zinc/20/79/79/170207979.db2.gz OHPXLGAVCLQUJW-NSHDSACASA-N 0 1 262.378 3.533 50 0 CHAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCCCCC1 ZINC000007781793 170302104 /nfs/dbraw/zinc/30/21/04/170302104.db2.gz XNCYUWBPMNLQLB-CQSZACIVSA-N 0 1 284.403 3.924 50 0 CHAAMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000008142709 170321307 /nfs/dbraw/zinc/32/13/07/170321307.db2.gz RLVQLZXINSMGIX-AAEUAGOBSA-N 0 1 294.826 3.707 50 0 CHAAMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccs1 ZINC000008183668 170323061 /nfs/dbraw/zinc/32/30/61/170323061.db2.gz RZNIUJUUYFZCHZ-MRVPVSSYSA-N 0 1 281.764 3.598 50 0 CHAAMN COc1ccc(O)c(-c2cc(-c3cccc(F)c3)[nH]n2)c1 ZINC000008973069 170359923 /nfs/dbraw/zinc/35/99/23/170359923.db2.gz KFHBTMSLVTWPMY-UHFFFAOYSA-N 0 1 284.290 3.597 50 0 CHAAMN Cc1ccc(C[C@H](C)N[C@H](C)c2nc(C(C)C)no2)cc1 ZINC000020454274 171208325 /nfs/dbraw/zinc/20/83/25/171208325.db2.gz DESUOOVDXCMDOW-UONOGXRCSA-N 0 1 287.407 3.783 50 0 CHAAMN c1ccc(COc2cccc([C@H]3NCCS3)c2)cc1 ZINC000035505008 172238663 /nfs/dbraw/zinc/23/86/63/172238663.db2.gz SDHXREBBMPUELS-INIZCTEOSA-N 0 1 271.385 3.601 50 0 CHAAMN COc1ccc(OC)c(CN(Cc2ccccc2)C2CC2)c1 ZINC000040051440 174184854 /nfs/dbraw/zinc/18/48/54/174184854.db2.gz IVQNBTXJWORFBM-UHFFFAOYSA-N 0 1 297.398 3.868 50 0 CHAAMN CC(C)CN(Cc1ncc(-c2ccccc2)o1)C1CC1 ZINC000040063290 174185710 /nfs/dbraw/zinc/18/57/10/174185710.db2.gz WSPIPOUPHUIESS-UHFFFAOYSA-N 0 1 270.376 3.962 50 0 CHAAMN Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@]3(C)C(=O)[O-])c2)o1 ZINC000534638330 328334836 /nfs/dbraw/zinc/33/48/36/328334836.db2.gz HBAYREVDEYEPKE-SFHVURJKSA-N 0 1 299.370 3.694 50 0 CHAAMN COc1ccc(CNC(C)(C)c2ccc(C)nc2)cc1F ZINC000353182045 524068950 /nfs/dbraw/zinc/06/89/50/524068950.db2.gz NOGGTJUYMVTFOD-UHFFFAOYSA-N 0 1 288.366 3.563 50 0 CHAAMN Cc1[nH]ncc1CNC(=O)c1ccc(C2CCCCC2)cc1 ZINC000068239017 526552197 /nfs/dbraw/zinc/55/21/97/526552197.db2.gz KYNONKFQTXLDBN-UHFFFAOYSA-N 0 1 297.402 3.696 50 0 CHAAMN CCCN(Cc1c[nH]cn1)Cc1ccc(SC)cc1 ZINC000055576110 567894412 /nfs/dbraw/zinc/89/44/12/567894412.db2.gz FXYNZHBRXBVYDM-UHFFFAOYSA-N 0 1 275.421 3.544 50 0 CHAAMN Oc1ccccc1-c1cc(-c2ccccc2F)n[nH]1 ZINC000253476163 566832749 /nfs/dbraw/zinc/83/27/49/566832749.db2.gz SJPGLKXXUIEFLO-UHFFFAOYSA-N 0 1 254.264 3.588 50 0 CHAAMN Cc1nnc(SCc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000011700382 566893660 /nfs/dbraw/zinc/89/36/60/566893660.db2.gz XKVGDFNHCXSMHF-UHFFFAOYSA-N 0 1 274.176 3.712 50 0 CHAAMN Cc1n[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000011700382 566893668 /nfs/dbraw/zinc/89/36/68/566893668.db2.gz XKVGDFNHCXSMHF-UHFFFAOYSA-N 0 1 274.176 3.712 50 0 CHAAMN COc1ccc(OCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000015833474 566915142 /nfs/dbraw/zinc/91/51/42/566915142.db2.gz CDWQGZLHRDNGLE-UHFFFAOYSA-N 0 1 288.734 3.804 50 0 CHAAMN CCC[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000075093560 566936623 /nfs/dbraw/zinc/93/66/23/566936623.db2.gz UFVIONFQDFIJFT-VIFPVBQESA-N 0 1 265.357 3.892 50 0 CHAAMN C[C@@H](NCc1ccnc(N)c1)c1ccc(Cl)cc1Cl ZINC000191556946 566960688 /nfs/dbraw/zinc/96/06/88/566960688.db2.gz NPKFSJUGZHIWFX-SECBINFHSA-N 0 1 296.201 3.821 50 0 CHAAMN CO[C@H](C)c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000426712782 566991174 /nfs/dbraw/zinc/99/11/74/566991174.db2.gz QKRKBDONXAJTJS-MRVPVSSYSA-N 0 1 270.254 3.803 50 0 CHAAMN Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)[nH]n2)cc1 ZINC000014205974 567022968 /nfs/dbraw/zinc/02/29/68/567022968.db2.gz DAULMNIWAQKTCS-UHFFFAOYSA-N 0 1 291.354 3.662 50 0 CHAAMN Cc1c([C@@H](C)NCc2ccc(C)c(Cl)c2)cnn1C ZINC000193733489 567062336 /nfs/dbraw/zinc/06/23/36/567062336.db2.gz LZDZNIFWKJWEKY-LLVKDONJSA-N 0 1 277.799 3.541 50 0 CHAAMN O=C(Cc1ccccc1)Nc1ccc2nc(C3CC3)[nH]c2c1 ZINC000079490377 567123579 /nfs/dbraw/zinc/12/35/79/567123579.db2.gz QNEIZIYHTRNQTL-UHFFFAOYSA-N 0 1 291.354 3.622 50 0 CHAAMN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000095420802 567130605 /nfs/dbraw/zinc/13/06/05/567130605.db2.gz DZACUUNWAHCIER-QWHCGFSZSA-N 0 1 283.375 3.887 50 0 CHAAMN Cc1cccc(-c2noc(CN(C(C)C)C(C)C)n2)c1 ZINC000095459777 567134520 /nfs/dbraw/zinc/13/45/20/567134520.db2.gz HCJFHYFGIJAOEU-UHFFFAOYSA-N 0 1 273.380 3.664 50 0 CHAAMN C[C@@H](N[C@@H]1c2ccccc2CCC1(C)C)c1nccn1C ZINC000097038232 567144289 /nfs/dbraw/zinc/14/42/89/567144289.db2.gz NGZNXLOSGINMSB-CZUORRHYSA-N 0 1 283.419 3.784 50 0 CHAAMN Cc1ccc2[nH]cc(C(=O)c3ccc(C)c(C)c3)c(=O)c2c1 ZINC000067340933 567197490 /nfs/dbraw/zinc/19/74/90/567197490.db2.gz KYWAHUWORIJZIB-UHFFFAOYSA-N 0 1 291.350 3.684 50 0 CHAAMN CC(C)(C)CC(C)(C)NCc1nnc(C(C)(C)C)o1 ZINC000069529507 567202155 /nfs/dbraw/zinc/20/21/55/567202155.db2.gz NMQZDAOLHFCZJK-UHFFFAOYSA-N 0 1 267.417 3.672 50 0 CHAAMN CCCCN[C@@H]1c2ccccc2C(=O)N1CCC(C)C ZINC000009730667 567204821 /nfs/dbraw/zinc/20/48/21/567204821.db2.gz HUCLMIYAMYOHCF-INIZCTEOSA-N 0 1 274.408 3.577 50 0 CHAAMN S=c1[nH]nc(Cc2ccccc2)n1-c1ccccc1 ZINC000000003576 567816573 /nfs/dbraw/zinc/81/65/73/567816573.db2.gz NORNNMHDCZHPNP-UHFFFAOYSA-N 0 1 267.357 3.521 50 0 CHAAMN FC(F)(F)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000000054181 567817206 /nfs/dbraw/zinc/81/72/06/567817206.db2.gz CAFBQHRMRGNHME-UHFFFAOYSA-N 0 1 255.026 3.889 50 0 CHAAMN Cc1ccc(-c2noc(CN3[C@H](C)CCC[C@H]3C)n2)cc1 ZINC000000203401 567822003 /nfs/dbraw/zinc/82/20/03/567822003.db2.gz CQUMGLVPEKJJSI-ZIAGYGMSSA-N 0 1 285.391 3.808 50 0 aggregator CHAAMN O=Cc1cc(Cc2ccccc2)cc(Br)c1O ZINC000000437179 567829945 /nfs/dbraw/zinc/82/99/45/567829945.db2.gz YJBRAWHUGVXENG-UHFFFAOYSA-N 0 1 291.144 3.558 50 0 CHAAMN CCOC(=O)N1CCN(CCCCCCC=C(C)C)CC1 ZINC000002494852 567846065 /nfs/dbraw/zinc/84/60/65/567846065.db2.gz PVAOBBKCNGYWLP-UHFFFAOYSA-N 0 1 296.455 3.677 50 0 CHAAMN O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(F)c(F)c1 ZINC000002514923 567846376 /nfs/dbraw/zinc/84/63/76/567846376.db2.gz HSNRDJCPVGIRRM-UHFFFAOYSA-N 0 1 299.320 3.568 50 0 CHAAMN COc1ccccc1C(=O)c1ccccc1CN1CCCC1 ZINC000002515545 567846810 /nfs/dbraw/zinc/84/68/10/567846810.db2.gz UPEUBFRAALBIIO-UHFFFAOYSA-N 0 1 295.382 3.522 50 0 CHAAMN Cc1ccc(C(=O)c2ccccc2CN2CCCC2)cc1 ZINC000002515544 567846862 /nfs/dbraw/zinc/84/68/62/567846862.db2.gz UMADWEQSCMGTCY-UHFFFAOYSA-N 0 1 279.383 3.822 50 0 CHAAMN COc1cc(Cl)c(CNCc2ccccc2)cc1OC ZINC000002886420 567850120 /nfs/dbraw/zinc/85/01/20/567850120.db2.gz LERGVIDIYHRLIP-UHFFFAOYSA-N 0 1 291.778 3.647 50 0 CHAAMN Cc1ccc(CN2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000003879669 567854230 /nfs/dbraw/zinc/85/42/30/567854230.db2.gz VIGUTVCIMNELKT-UHFFFAOYSA-N 0 1 298.405 3.765 50 0 CHAAMN O=c1[nH][nH]c2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000004440641 567857824 /nfs/dbraw/zinc/85/78/24/567857824.db2.gz GBYOITLAVUHEJG-UHFFFAOYSA-N 0 1 254.333 3.540 50 0 CHAAMN Cc1cc(C)c(NC(=O)OC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000004566639 567858174 /nfs/dbraw/zinc/85/81/74/567858174.db2.gz QRGQQZCHPZTODT-HNNXBMFYSA-N 0 1 290.407 3.645 50 0 CHAAMN Cc1cc2cc(NC(=O)c3cccc4cn[nH]c43)ccc2[nH]1 ZINC000032818557 567868894 /nfs/dbraw/zinc/86/88/94/567868894.db2.gz WLUCFDKCNYCCFK-UHFFFAOYSA-N 0 1 290.326 3.605 50 0 CHAAMN Cc1ccc2nc(Sc3ncnc4ccccc43)[nH]c2c1 ZINC000032888197 567870180 /nfs/dbraw/zinc/87/01/80/567870180.db2.gz CEWFIYGIYGIQRR-UHFFFAOYSA-N 0 1 292.367 3.966 50 0 CHAAMN COc1ccccc1OCc1nc2ccc(Cl)cc2[nH]1 ZINC000016903961 567873754 /nfs/dbraw/zinc/87/37/54/567873754.db2.gz GKOZETYBSRVCED-UHFFFAOYSA-N 0 1 288.734 3.804 50 0 CHAAMN CCOc1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 ZINC000016903854 567873844 /nfs/dbraw/zinc/87/38/44/567873844.db2.gz ICLGEOMGZYRPKG-UHFFFAOYSA-N 0 1 286.306 3.680 50 0 CHAAMN Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000019536770 567878165 /nfs/dbraw/zinc/87/81/65/567878165.db2.gz KCRCSRXSRKWLCT-UHFFFAOYSA-N 0 1 294.442 3.621 50 0 CHAAMN Cc1ccc(-c2cc(-c3cccc(F)c3)[nH]n2)c(O)c1 ZINC000013126655 567882371 /nfs/dbraw/zinc/88/23/71/567882371.db2.gz IJZJAZUPUBWDBK-UHFFFAOYSA-N 0 1 268.291 3.897 50 0 CHAAMN OC1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000027355152 567883310 /nfs/dbraw/zinc/88/33/10/567883310.db2.gz QOOVOXZYYPHNDN-UHFFFAOYSA-N 0 1 281.808 3.511 50 0 CHAAMN Cc1ccc(CNCc2ccc(F)c(F)c2)cc1F ZINC000070160141 567884824 /nfs/dbraw/zinc/88/48/24/567884824.db2.gz NFDKKFCQYCEGHD-UHFFFAOYSA-N 0 1 265.278 3.702 50 0 CHAAMN c1cncc([C@@H]2CCCCN2Cc2ccc3c(c2)OCO3)c1 ZINC000000366816 567887334 /nfs/dbraw/zinc/88/73/34/567887334.db2.gz CMRZIZXFAXBMRS-INIZCTEOSA-N 0 1 296.370 3.538 50 0 biogenic CHAAMN CCc1ccc(OCCCCCCN2CCOCC2)cc1 ZINC000023634709 567888827 /nfs/dbraw/zinc/88/88/27/567888827.db2.gz MNMIYOVRWZCBCU-UHFFFAOYSA-N 0 1 291.435 3.520 50 0 CHAAMN CCCN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000060370064 567894772 /nfs/dbraw/zinc/89/47/72/567894772.db2.gz XKIQEGNQSHLZKL-CQSZACIVSA-N 0 1 271.364 3.674 50 0 CHAAMN c1coc([C@H](Cc2nc(C3CC3)n[nH]2)c2ccccc2)c1 ZINC000065385812 567898535 /nfs/dbraw/zinc/89/85/35/567898535.db2.gz CRQWTQXXHZUSFL-CQSZACIVSA-N 0 1 279.343 3.650 50 0 CHAAMN c1coc([C@H](Cc2n[nH]c(C3CC3)n2)c2ccccc2)c1 ZINC000065385812 567898536 /nfs/dbraw/zinc/89/85/36/567898536.db2.gz CRQWTQXXHZUSFL-CQSZACIVSA-N 0 1 279.343 3.650 50 0 CHAAMN c1cc(-c2[nH]cnc2-c2ccccc2)n(-c2cccnc2)c1 ZINC000065434746 567899332 /nfs/dbraw/zinc/89/93/32/567899332.db2.gz ZWQDLFBECNOHGZ-UHFFFAOYSA-N 0 1 286.338 3.929 50 0 CHAAMN c1cc2cc(-c3ccccc3CN3CCOCC3)ccc2o1 ZINC000065496149 567899467 /nfs/dbraw/zinc/89/94/67/567899467.db2.gz AWBJNXOBEORSCG-UHFFFAOYSA-N 0 1 293.366 3.932 50 0 CHAAMN Cc1ccc2nc([C@H](C)Nc3nnc(C4CCC4)o3)[nH]c2c1 ZINC000095377858 567909505 /nfs/dbraw/zinc/90/95/05/567909505.db2.gz GXHQDTSRKIZKRF-JTQLQIEISA-N 0 1 297.362 3.695 50 0 CHAAMN Cc1cccc2nc(CN(C)Cc3coc(C(C)C)n3)[nH]c21 ZINC000097437005 567910367 /nfs/dbraw/zinc/91/03/67/567910367.db2.gz IXYXNOAFAHPYLT-UHFFFAOYSA-N 0 1 298.390 3.615 50 0 CHAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCc1ccccc1 ZINC000100072426 567912065 /nfs/dbraw/zinc/91/20/65/567912065.db2.gz BTHUGBDAPDRNHB-UHFFFAOYSA-N 0 1 296.345 3.811 50 0 CHAAMN Cc1ccc(-c2nn3c(=S)[nH]nc3c3ccccc32)cc1 ZINC000000126570 567923602 /nfs/dbraw/zinc/92/36/02/567923602.db2.gz ZVSJPVIVXBSTFS-UHFFFAOYSA-N 0 1 292.367 3.542 50 0 CHAAMN Clc1cccc(N2CCN(Cc3ccccc3)CC2)c1 ZINC000053044813 567931574 /nfs/dbraw/zinc/93/15/74/567931574.db2.gz ZRJKAGCSCSIIJA-UHFFFAOYSA-N 0 1 286.806 3.662 50 0 CHAAMN O[C@H](CN1CC=C(c2ccccc2)CC1)c1cccc(F)c1 ZINC000051112461 567940725 /nfs/dbraw/zinc/94/07/25/567940725.db2.gz LIBWANYWGXZZGO-LJQANCHMSA-N 0 1 297.373 3.648 50 0 CHAAMN Cc1[nH]c2ccccc2c1C(=O)CN1CCCC[C@@H]1C ZINC000000507898 567941454 /nfs/dbraw/zinc/94/14/54/567941454.db2.gz VMIOFZFIOOEUFH-LBPRGKRZSA-N 0 1 270.376 3.533 50 0 CHAAMN COc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000019908958 567945116 /nfs/dbraw/zinc/94/51/16/567945116.db2.gz NHIUKCJAMTZFSC-MLGOLLRUSA-N 0 1 271.360 3.701 50 0 CHAAMN Cc1cc(CN(C)CC[C@H](C)c2ccc(C)o2)on1 ZINC000216245443 567947620 /nfs/dbraw/zinc/94/76/20/567947620.db2.gz HGCITQINHLDGLP-NSHDSACASA-N 0 1 262.353 3.510 50 0 CHAAMN Cc1ccccc1-n1c(CNc2ccccc2)n[nH]c1=S ZINC000026439329 570232048 /nfs/dbraw/zinc/23/20/48/570232048.db2.gz ABKHNYIGZJHKKL-UHFFFAOYSA-N 0 1 296.399 3.850 50 0 CHAAMN CCOc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1O ZINC000055183036 570241444 /nfs/dbraw/zinc/24/14/44/570241444.db2.gz IGHPUEMLNUNTOI-UHFFFAOYSA-N 0 1 288.734 3.988 50 0 CHAAMN c1cc2c(s1)[C@@H]1CCCC[C@@H]1O[C@]21CN2CCC1CC2 ZINC000103032505 570260682 /nfs/dbraw/zinc/26/06/82/570260682.db2.gz YOTNJKHOKZAJDD-KMFMINBZSA-N 0 1 289.444 3.725 50 0 CHAAMN Cc1ncsc1CNc1ccnc2cc(F)ccc21 ZINC000079097079 570273030 /nfs/dbraw/zinc/27/30/30/570273030.db2.gz VCHSIJQAZZSCDM-UHFFFAOYSA-N 0 1 273.336 3.751 50 0 CHAAMN C[C@H](CN(C)Cc1cnc2ccccc2c1)C(F)(F)F ZINC000216461950 570305528 /nfs/dbraw/zinc/30/55/28/570305528.db2.gz PTAJGSUNHOPZLL-LLVKDONJSA-N 0 1 282.309 3.865 50 0 CHAAMN Cc1noc(C)c1[C@H](C)NCc1ccc2nc(C)ccc2c1 ZINC000225457066 570394095 /nfs/dbraw/zinc/39/40/95/570394095.db2.gz SWLLSKHFALACSE-LBPRGKRZSA-N 0 1 295.386 3.999 50 0 CHAAMN Cc1nnc([C@@H](C)NCC2(c3cccc(C)c3)CCCC2)o1 ZINC000079030505 570396229 /nfs/dbraw/zinc/39/62/29/570396229.db2.gz UFXXTHJHRBZDFP-CQSZACIVSA-N 0 1 299.418 3.849 50 0 CHAAMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(F)(F)F ZINC000079098654 570396606 /nfs/dbraw/zinc/39/66/06/570396606.db2.gz QGRHKYKCFPSYRY-ZCFIWIBFSA-N 0 1 291.273 3.654 50 0 CHAAMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000003749293 570400191 /nfs/dbraw/zinc/40/01/91/570400191.db2.gz YYGKVQTTYRUFEX-SFHVURJKSA-N 0 1 295.382 3.650 50 0 CHAAMN Fc1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1 ZINC000069835931 570402930 /nfs/dbraw/zinc/40/29/30/570402930.db2.gz WTAFRMQHZUJWOW-UHFFFAOYSA-N 0 1 290.301 3.826 50 0 CHAAMN CC(C)c1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000005860613 1117833593 /nfs/dbraw/zinc/83/35/93/1117833593.db2.gz DRMWDAMOCXEVFM-UHFFFAOYSA-N 0 1 295.430 3.527 50 0 CHAAMN CCOc1ccc2nc(COc3cccc(C)c3)[nH]c2c1 ZINC000033327179 1118754265 /nfs/dbraw/zinc/75/42/65/1118754265.db2.gz DZIGXKMFOCRYON-UHFFFAOYSA-N 0 1 282.343 3.849 50 0 CHAAMN S=c1[nH]nc(C2CCCCC2)n1-c1ccccc1 ZINC000002523439 1128996283 /nfs/dbraw/zinc/99/62/83/1128996283.db2.gz WYVKEKWKMYVFIC-UHFFFAOYSA-N 0 1 259.378 3.978 50 0 CHAAMN Cc1cc(CN(C)[C@@H](C)c2cccnc2)ccc1F ZINC000065371590 1129564047 /nfs/dbraw/zinc/56/40/47/1129564047.db2.gz MMUFQJTWMFVURQ-ZDUSSCGKSA-N 0 1 258.340 3.722 50 0 CHAAMN Cc1noc(C)c1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000052455697 1129651353 /nfs/dbraw/zinc/65/13/53/1129651353.db2.gz AOMZDZGAYNLUBI-MRXNPFEDSA-N 0 1 274.339 3.768 50 0 CHAAMN O=C1C=C(NNc2ccc(Cl)c(Cl)c2)CCC1 ZINC000254288643 1129680156 /nfs/dbraw/zinc/68/01/56/1129680156.db2.gz URHOSDXYLOBXKH-UHFFFAOYSA-N 0 1 271.147 3.904 50 0 CHAAMN Fc1cccc(CN2CCCC[C@H]2c2cccnc2)c1 ZINC000000183848 1129731292 /nfs/dbraw/zinc/73/12/92/1129731292.db2.gz AHYWCLBRUNGTBG-KRWDZBQOSA-N 0 1 270.351 3.948 50 0 CHAAMN CN(C)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000000191180 1129733331 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